USER MOD reduce.3.24.130724 H: found=0, std=0, add=802, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 804 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 50 TYR OH : rot -129:sc= 0.696 USER MOD Set 1.2: B 31 TYR OH : rot -15:sc= -0.262 USER MOD Set 2.1: A 31 TYR OH : rot -15:sc= -0.294 USER MOD Set 2.2: B 50 TYR OH : rot -132:sc= 0.702 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= 0.139 K(o=0.14,f=-0.64) USER MOD Single : A 13 LYS NZ :NH3+ -169:sc= -0.0159 (180deg=-0.152) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 MET CE :methyl -179:sc= -1.46 (180deg=-1.5) USER MOD Single : A 22 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00422) USER MOD Single : A 25 LYS NZ :NH3+ -156:sc= -0.751 (180deg=-1.49!) USER MOD Single : A 26 THR OG1 : rot 82:sc= 0.647 USER MOD Single : A 29 LYS NZ :NH3+ 170:sc= -0.016 (180deg=-0.133) USER MOD Single : A 32 CYS SG : rot -105:sc= -4.94! USER MOD Single : A 34 LYS NZ :NH3+ -128:sc= -0.445 (180deg=-1.35!) USER MOD Single : A 35 ASN : amide:sc= -0.325 X(o=-0.33,f=-0.19) USER MOD Single : A 36 ASN : amide:sc= -0.0433 K(o=-0.043,f=-1.1) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.0596 USER MOD Single : A 41 GLN : amide:sc= -3.13! C(o=-3.1!,f=-2.6!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -0.177 X(o=-0.18,f=-0.16) USER MOD Single : A 53 LYS NZ :NH3+ -135:sc= 1.55 (180deg=-1.11) USER MOD Single : A 55 ASN : amide:sc= 0.331 K(o=0.33,f=-8.5!) USER MOD Single : B 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 12 GLN : amide:sc= 0.231 K(o=0.23,f=-0.64) USER MOD Single : B 13 LYS NZ :NH3+ -169:sc= -0.016 (180deg=-0.145) USER MOD Single : B 19 TYR OH : rot 180:sc= 0 USER MOD Single : B 20 MET CE :methyl 177:sc= -1.48 (180deg=-1.49) USER MOD Single : B 22 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00278) USER MOD Single : B 25 LYS NZ :NH3+ -157:sc= -0.755 (180deg=-1.57!) USER MOD Single : B 26 THR OG1 : rot 82:sc= 0.676 USER MOD Single : B 29 LYS NZ :NH3+ 170:sc= -0.018 (180deg=-0.133) USER MOD Single : B 32 CYS SG : rot -104:sc= -4.8! USER MOD Single : B 34 LYS NZ :NH3+ -129:sc= -0.388 (180deg=-1.45!) USER MOD Single : B 35 ASN : amide:sc= -0.386 X(o=-0.39,f=-0.2) USER MOD Single : B 36 ASN : amide:sc= -0.0279 K(o=-0.028,f=-1.1) USER MOD Single : B 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 40 THR OG1 : rot 180:sc= -0.0549 USER MOD Single : B 41 GLN : amide:sc= -3.12! C(o=-3.1!,f=-2.6!) USER MOD Single : B 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 52 GLN : amide:sc= -0.121 X(o=-0.12,f=-0.098) USER MOD Single : B 53 LYS NZ :NH3+ -135:sc= 1.58 (180deg=-1.06) USER MOD Single : B 55 ASN : amide:sc= 0.49 K(o=0.49,f=-8.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 11 -14.310 8.905 10.876 1.00 0.00 N ATOM 2 CA LYS A 11 -14.491 9.146 9.428 1.00 0.00 C ATOM 3 C LYS A 11 -13.247 9.811 8.854 1.00 0.00 C ATOM 4 O LYS A 11 -12.344 10.178 9.605 1.00 0.00 O ATOM 5 CB LYS A 11 -15.721 10.028 9.177 1.00 0.00 C ATOM 6 CG LYS A 11 -15.602 11.425 9.765 1.00 0.00 C ATOM 7 CD LYS A 11 -16.828 12.267 9.460 1.00 0.00 C ATOM 8 CE LYS A 11 -16.673 13.681 9.996 1.00 0.00 C ATOM 9 NZ LYS A 11 -17.860 14.521 9.701 1.00 0.00 N ATOM 0 HA LYS A 11 -14.646 8.188 8.933 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -15.886 10.109 8.103 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -16.599 9.540 9.599 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -15.467 11.356 10.844 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -14.715 11.915 9.364 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -16.991 12.300 8.383 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -17.710 11.803 9.902 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -16.514 13.645 11.074 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -15.787 14.140 9.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -17.713 15.477 10.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -17.998 14.578 8.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -18.702 14.098 10.141 1.00 0.00 H new ATOM 23 N GLN A 12 -13.215 9.954 7.525 1.00 0.00 N ATOM 24 CA GLN A 12 -12.102 10.581 6.811 1.00 0.00 C ATOM 25 C GLN A 12 -10.860 9.698 6.872 1.00 0.00 C ATOM 26 O GLN A 12 -10.531 9.008 5.905 1.00 0.00 O ATOM 27 CB GLN A 12 -11.802 11.976 7.381 1.00 0.00 C ATOM 28 CG GLN A 12 -11.079 12.922 6.422 1.00 0.00 C ATOM 29 CD GLN A 12 -9.648 12.509 6.123 1.00 0.00 C ATOM 30 OE1 GLN A 12 -8.721 12.887 6.844 1.00 0.00 O ATOM 31 NE2 GLN A 12 -9.458 11.754 5.051 1.00 0.00 N ATOM 0 H GLN A 12 -13.966 9.636 6.912 1.00 0.00 H new ATOM 0 HA GLN A 12 -12.391 10.697 5.767 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -12.741 12.438 7.684 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -11.197 11.862 8.281 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -11.636 12.973 5.487 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -11.077 13.926 6.847 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -10.255 11.465 4.483 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -8.515 11.462 4.793 1.00 0.00 H new ATOM 40 N LYS A 13 -10.195 9.703 8.015 1.00 0.00 N ATOM 41 CA LYS A 13 -8.947 8.970 8.171 1.00 0.00 C ATOM 42 C LYS A 13 -9.137 7.745 9.055 1.00 0.00 C ATOM 43 O LYS A 13 -10.045 7.691 9.890 1.00 0.00 O ATOM 44 CB LYS A 13 -7.841 9.868 8.747 1.00 0.00 C ATOM 45 CG LYS A 13 -8.173 10.466 10.105 1.00 0.00 C ATOM 46 CD LYS A 13 -6.957 11.146 10.718 1.00 0.00 C ATOM 47 CE LYS A 13 -7.270 11.777 12.070 1.00 0.00 C ATOM 48 NZ LYS A 13 -8.279 12.861 11.957 1.00 0.00 N ATOM 0 H LYS A 13 -10.497 10.206 8.849 1.00 0.00 H new ATOM 0 HA LYS A 13 -8.640 8.639 7.179 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -6.923 9.287 8.832 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -7.642 10.677 8.044 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -8.982 11.188 9.999 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -8.530 9.682 10.773 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -6.156 10.416 10.836 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -6.590 11.914 10.037 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -7.637 11.010 12.752 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -6.354 12.178 12.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -8.327 13.385 12.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -8.007 13.510 11.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -9.210 12.448 11.747 1.00 0.00 H new ATOM 62 N ALA A 14 -8.285 6.759 8.841 1.00 0.00 N ATOM 63 CA ALA A 14 -8.282 5.544 9.630 1.00 0.00 C ATOM 64 C ALA A 14 -6.853 5.153 9.964 1.00 0.00 C ATOM 65 O ALA A 14 -5.908 5.714 9.423 1.00 0.00 O ATOM 66 CB ALA A 14 -8.969 4.426 8.868 1.00 0.00 C ATOM 0 H ALA A 14 -7.573 6.780 8.111 1.00 0.00 H new ATOM 0 HA ALA A 14 -8.827 5.718 10.558 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -8.961 3.517 9.470 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -9.999 4.711 8.654 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -8.441 4.246 7.932 1.00 0.00 H new ATOM 72 N VAL A 15 -6.696 4.195 10.859 1.00 0.00 N ATOM 73 CA VAL A 15 -5.373 3.730 11.237 1.00 0.00 C ATOM 74 C VAL A 15 -5.165 2.328 10.699 1.00 0.00 C ATOM 75 O VAL A 15 -6.131 1.630 10.374 1.00 0.00 O ATOM 76 CB VAL A 15 -5.168 3.711 12.766 1.00 0.00 C ATOM 77 CG1 VAL A 15 -3.688 3.768 13.124 1.00 0.00 C ATOM 78 CG2 VAL A 15 -5.931 4.840 13.436 1.00 0.00 C ATOM 0 H VAL A 15 -7.465 3.725 11.337 1.00 0.00 H new ATOM 0 HA VAL A 15 -4.650 4.426 10.813 1.00 0.00 H new ATOM 0 HB VAL A 15 -5.567 2.768 13.140 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -3.575 3.753 14.208 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -3.176 2.907 12.694 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -3.253 4.685 12.726 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -5.767 4.801 14.513 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -5.579 5.797 13.050 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -6.995 4.734 13.227 1.00 0.00 H new ATOM 88 N PHE A 16 -3.918 1.914 10.615 1.00 0.00 N ATOM 89 CA PHE A 16 -3.586 0.612 10.075 1.00 0.00 C ATOM 90 C PHE A 16 -2.332 0.074 10.751 1.00 0.00 C ATOM 91 O PHE A 16 -1.331 0.778 10.865 1.00 0.00 O ATOM 92 CB PHE A 16 -3.379 0.728 8.565 1.00 0.00 C ATOM 93 CG PHE A 16 -3.711 -0.521 7.802 1.00 0.00 C ATOM 94 CD1 PHE A 16 -4.877 -1.218 8.067 1.00 0.00 C ATOM 95 CD2 PHE A 16 -2.867 -0.989 6.810 1.00 0.00 C ATOM 96 CE1 PHE A 16 -5.195 -2.361 7.361 1.00 0.00 C ATOM 97 CE2 PHE A 16 -3.182 -2.131 6.100 1.00 0.00 C ATOM 98 CZ PHE A 16 -4.346 -2.816 6.376 1.00 0.00 C ATOM 0 H PHE A 16 -3.113 2.464 10.916 1.00 0.00 H new ATOM 0 HA PHE A 16 -4.403 -0.084 10.266 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -3.993 1.546 8.187 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -2.340 0.994 8.371 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -5.547 -0.863 8.836 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -1.954 -0.456 6.589 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -6.107 -2.897 7.580 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -2.516 -2.488 5.328 1.00 0.00 H new ATOM 0 HZ PHE A 16 -4.592 -3.709 5.820 1.00 0.00 H new ATOM 108 N GLY A 17 -2.404 -1.165 11.219 1.00 0.00 N ATOM 109 CA GLY A 17 -1.268 -1.781 11.879 1.00 0.00 C ATOM 110 C GLY A 17 -1.034 -3.192 11.388 1.00 0.00 C ATOM 111 O GLY A 17 -1.645 -4.135 11.888 1.00 0.00 O ATOM 0 H GLY A 17 -3.232 -1.757 11.153 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -0.375 -1.181 11.702 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -1.435 -1.793 12.956 1.00 0.00 H new ATOM 115 N ILE A 18 -0.159 -3.337 10.407 1.00 0.00 N ATOM 116 CA ILE A 18 0.058 -4.625 9.765 1.00 0.00 C ATOM 117 C ILE A 18 1.527 -5.023 9.777 1.00 0.00 C ATOM 118 O ILE A 18 2.400 -4.212 10.099 1.00 0.00 O ATOM 119 CB ILE A 18 -0.436 -4.603 8.311 1.00 0.00 C ATOM 120 CG1 ILE A 18 0.277 -3.505 7.519 1.00 0.00 C ATOM 121 CG2 ILE A 18 -1.939 -4.392 8.289 1.00 0.00 C ATOM 122 CD1 ILE A 18 0.024 -3.570 6.033 1.00 0.00 C ATOM 0 H ILE A 18 0.414 -2.579 10.037 1.00 0.00 H new ATOM 0 HA ILE A 18 -0.510 -5.358 10.337 1.00 0.00 H new ATOM 0 HB ILE A 18 -0.206 -5.559 7.840 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -0.045 -2.533 7.892 1.00 0.00 H new ATOM 0 HG13 ILE A 18 1.350 -3.576 7.700 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -2.289 -4.376 7.257 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -2.428 -5.205 8.826 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -2.180 -3.443 8.768 1.00 0.00 H new ATOM 0 HD11 ILE A 18 0.561 -2.762 5.537 1.00 0.00 H new ATOM 0 HD12 ILE A 18 0.372 -4.528 5.646 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -1.044 -3.468 5.841 1.00 0.00 H new ATOM 134 N TYR A 19 1.789 -6.276 9.431 1.00 0.00 N ATOM 135 CA TYR A 19 3.149 -6.776 9.330 1.00 0.00 C ATOM 136 C TYR A 19 3.508 -7.015 7.869 1.00 0.00 C ATOM 137 O TYR A 19 3.175 -8.053 7.300 1.00 0.00 O ATOM 138 CB TYR A 19 3.314 -8.077 10.121 1.00 0.00 C ATOM 139 CG TYR A 19 3.005 -7.949 11.594 1.00 0.00 C ATOM 140 CD1 TYR A 19 3.802 -7.175 12.427 1.00 0.00 C ATOM 141 CD2 TYR A 19 1.923 -8.616 12.153 1.00 0.00 C ATOM 142 CE1 TYR A 19 3.528 -7.070 13.776 1.00 0.00 C ATOM 143 CE2 TYR A 19 1.642 -8.514 13.500 1.00 0.00 C ATOM 144 CZ TYR A 19 2.447 -7.738 14.307 1.00 0.00 C ATOM 145 OH TYR A 19 2.174 -7.634 15.653 1.00 0.00 O ATOM 0 H TYR A 19 1.071 -6.967 9.215 1.00 0.00 H new ATOM 0 HA TYR A 19 3.819 -6.027 9.752 1.00 0.00 H new ATOM 0 HB2 TYR A 19 2.663 -8.837 9.689 1.00 0.00 H new ATOM 0 HB3 TYR A 19 4.338 -8.432 10.005 1.00 0.00 H new ATOM 0 HD1 TYR A 19 4.649 -6.647 12.013 1.00 0.00 H new ATOM 0 HD2 TYR A 19 1.291 -9.225 11.523 1.00 0.00 H new ATOM 0 HE1 TYR A 19 4.159 -6.467 14.412 1.00 0.00 H new ATOM 0 HE2 TYR A 19 0.797 -9.039 13.920 1.00 0.00 H new ATOM 0 HH TYR A 19 1.378 -8.164 15.867 1.00 0.00 H new ATOM 155 N MET A 20 4.182 -6.049 7.274 1.00 0.00 N ATOM 156 CA MET A 20 4.555 -6.123 5.864 1.00 0.00 C ATOM 157 C MET A 20 6.058 -6.346 5.726 1.00 0.00 C ATOM 158 O MET A 20 6.821 -6.027 6.636 1.00 0.00 O ATOM 159 CB MET A 20 4.125 -4.843 5.129 1.00 0.00 C ATOM 160 CG MET A 20 4.778 -3.572 5.651 1.00 0.00 C ATOM 161 SD MET A 20 3.983 -2.073 5.030 1.00 0.00 S ATOM 162 CE MET A 20 4.324 -2.199 3.277 1.00 0.00 C ATOM 0 H MET A 20 4.486 -5.197 7.744 1.00 0.00 H new ATOM 0 HA MET A 20 4.039 -6.968 5.409 1.00 0.00 H new ATOM 0 HB2 MET A 20 4.360 -4.950 4.070 1.00 0.00 H new ATOM 0 HB3 MET A 20 3.043 -4.740 5.206 1.00 0.00 H new ATOM 0 HG2 MET A 20 4.743 -3.572 6.740 1.00 0.00 H new ATOM 0 HG3 MET A 20 5.830 -3.565 5.365 1.00 0.00 H new ATOM 0 HE1 MET A 20 3.909 -1.332 2.762 1.00 0.00 H new ATOM 0 HE2 MET A 20 5.402 -2.234 3.118 1.00 0.00 H new ATOM 0 HE3 MET A 20 3.869 -3.107 2.882 1.00 0.00 H new ATOM 172 N ASP A 21 6.472 -6.898 4.589 1.00 0.00 N ATOM 173 CA ASP A 21 7.865 -7.260 4.361 1.00 0.00 C ATOM 174 C ASP A 21 8.799 -6.053 4.436 1.00 0.00 C ATOM 175 O ASP A 21 8.396 -4.915 4.177 1.00 0.00 O ATOM 176 CB ASP A 21 8.032 -7.954 3.010 1.00 0.00 C ATOM 177 CG ASP A 21 7.424 -9.347 2.973 1.00 0.00 C ATOM 178 OD1 ASP A 21 7.443 -10.046 4.007 1.00 0.00 O ATOM 179 OD2 ASP A 21 6.926 -9.751 1.899 1.00 0.00 O ATOM 0 H ASP A 21 5.854 -7.106 3.804 1.00 0.00 H new ATOM 0 HA ASP A 21 8.142 -7.948 5.160 1.00 0.00 H new ATOM 0 HB2 ASP A 21 7.570 -7.342 2.235 1.00 0.00 H new ATOM 0 HB3 ASP A 21 9.094 -8.022 2.772 1.00 0.00 H new ATOM 184 N LYS A 22 10.058 -6.320 4.759 1.00 0.00 N ATOM 185 CA LYS A 22 11.042 -5.280 4.986 1.00 0.00 C ATOM 186 C LYS A 22 11.480 -4.654 3.679 1.00 0.00 C ATOM 187 O LYS A 22 11.229 -3.481 3.451 1.00 0.00 O ATOM 188 CB LYS A 22 12.259 -5.867 5.709 1.00 0.00 C ATOM 189 CG LYS A 22 13.428 -4.901 5.847 1.00 0.00 C ATOM 190 CD LYS A 22 14.652 -5.604 6.415 1.00 0.00 C ATOM 191 CE LYS A 22 15.848 -4.669 6.522 1.00 0.00 C ATOM 192 NZ LYS A 22 15.667 -3.640 7.578 1.00 0.00 N ATOM 0 H LYS A 22 10.422 -7.266 4.870 1.00 0.00 H new ATOM 0 HA LYS A 22 10.586 -4.506 5.603 1.00 0.00 H new ATOM 0 HB2 LYS A 22 11.954 -6.195 6.703 1.00 0.00 H new ATOM 0 HB3 LYS A 22 12.596 -6.753 5.170 1.00 0.00 H new ATOM 0 HG2 LYS A 22 13.669 -4.474 4.873 1.00 0.00 H new ATOM 0 HG3 LYS A 22 13.145 -4.073 6.497 1.00 0.00 H new ATOM 0 HD2 LYS A 22 14.415 -6.004 7.401 1.00 0.00 H new ATOM 0 HD3 LYS A 22 14.910 -6.452 5.780 1.00 0.00 H new ATOM 0 HE2 LYS A 22 16.744 -5.252 6.736 1.00 0.00 H new ATOM 0 HE3 LYS A 22 16.009 -4.177 5.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 16.520 -3.048 7.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 14.848 -3.044 7.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 15.506 -4.107 8.493 1.00 0.00 H new ATOM 206 N ASP A 23 12.123 -5.453 2.831 1.00 0.00 N ATOM 207 CA ASP A 23 12.666 -4.976 1.555 1.00 0.00 C ATOM 208 C ASP A 23 11.627 -4.192 0.763 1.00 0.00 C ATOM 209 O ASP A 23 11.933 -3.180 0.139 1.00 0.00 O ATOM 210 CB ASP A 23 13.164 -6.158 0.721 1.00 0.00 C ATOM 211 CG ASP A 23 13.702 -5.733 -0.632 1.00 0.00 C ATOM 212 OD1 ASP A 23 12.913 -5.666 -1.601 1.00 0.00 O ATOM 213 OD2 ASP A 23 14.924 -5.476 -0.736 1.00 0.00 O ATOM 0 H ASP A 23 12.284 -6.445 3.005 1.00 0.00 H new ATOM 0 HA ASP A 23 13.498 -4.308 1.778 1.00 0.00 H new ATOM 0 HB2 ASP A 23 13.946 -6.681 1.271 1.00 0.00 H new ATOM 0 HB3 ASP A 23 12.348 -6.866 0.577 1.00 0.00 H new ATOM 218 N LEU A 24 10.395 -4.664 0.819 1.00 0.00 N ATOM 219 CA LEU A 24 9.285 -4.051 0.128 1.00 0.00 C ATOM 220 C LEU A 24 8.939 -2.694 0.751 1.00 0.00 C ATOM 221 O LEU A 24 8.952 -1.673 0.057 1.00 0.00 O ATOM 222 CB LEU A 24 8.114 -5.044 0.168 1.00 0.00 C ATOM 223 CG LEU A 24 6.740 -4.559 -0.285 1.00 0.00 C ATOM 224 CD1 LEU A 24 6.001 -4.005 0.914 1.00 0.00 C ATOM 225 CD2 LEU A 24 6.846 -3.520 -1.400 1.00 0.00 C ATOM 0 H LEU A 24 10.138 -5.494 1.353 1.00 0.00 H new ATOM 0 HA LEU A 24 9.535 -3.839 -0.911 1.00 0.00 H new ATOM 0 HB2 LEU A 24 8.384 -5.902 -0.448 1.00 0.00 H new ATOM 0 HB3 LEU A 24 8.019 -5.405 1.192 1.00 0.00 H new ATOM 0 HG LEU A 24 6.184 -5.400 -0.700 1.00 0.00 H new ATOM 0 HD11 LEU A 24 5.016 -3.654 0.604 1.00 0.00 H new ATOM 0 HD12 LEU A 24 5.888 -4.787 1.665 1.00 0.00 H new ATOM 0 HD13 LEU A 24 6.565 -3.174 1.337 1.00 0.00 H new ATOM 0 HD21 LEU A 24 5.847 -3.200 -1.695 1.00 0.00 H new ATOM 0 HD22 LEU A 24 7.412 -2.660 -1.043 1.00 0.00 H new ATOM 0 HD23 LEU A 24 7.355 -3.958 -2.259 1.00 0.00 H new ATOM 237 N LYS A 25 8.653 -2.674 2.053 1.00 0.00 N ATOM 238 CA LYS A 25 8.314 -1.432 2.730 1.00 0.00 C ATOM 239 C LYS A 25 9.502 -0.476 2.667 1.00 0.00 C ATOM 240 O LYS A 25 9.350 0.743 2.632 1.00 0.00 O ATOM 241 CB LYS A 25 7.967 -1.712 4.191 1.00 0.00 C ATOM 242 CG LYS A 25 7.197 -0.588 4.859 1.00 0.00 C ATOM 243 CD LYS A 25 7.022 -0.834 6.349 1.00 0.00 C ATOM 244 CE LYS A 25 8.180 -0.270 7.167 1.00 0.00 C ATOM 245 NZ LYS A 25 9.465 -0.976 6.929 1.00 0.00 N ATOM 0 H LYS A 25 8.650 -3.499 2.652 1.00 0.00 H new ATOM 0 HA LYS A 25 7.453 -0.981 2.236 1.00 0.00 H new ATOM 0 HB2 LYS A 25 7.378 -2.628 4.247 1.00 0.00 H new ATOM 0 HB3 LYS A 25 8.888 -1.891 4.747 1.00 0.00 H new ATOM 0 HG2 LYS A 25 7.722 0.355 4.705 1.00 0.00 H new ATOM 0 HG3 LYS A 25 6.218 -0.488 4.389 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.089 -0.380 6.683 1.00 0.00 H new ATOM 0 HD3 LYS A 25 6.939 -1.905 6.531 1.00 0.00 H new ATOM 0 HE2 LYS A 25 8.304 0.786 6.928 1.00 0.00 H new ATOM 0 HE3 LYS A 25 7.931 -0.330 8.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 10.087 -0.852 7.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 9.282 -1.989 6.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 9.926 -0.582 6.084 1.00 0.00 H new ATOM 259 N THR A 26 10.685 -1.069 2.638 1.00 0.00 N ATOM 260 CA THR A 26 11.943 -0.332 2.634 1.00 0.00 C ATOM 261 C THR A 26 12.211 0.295 1.269 1.00 0.00 C ATOM 262 O THR A 26 12.673 1.432 1.175 1.00 0.00 O ATOM 263 CB THR A 26 13.109 -1.259 3.053 1.00 0.00 C ATOM 264 OG1 THR A 26 12.984 -1.580 4.446 1.00 0.00 O ATOM 265 CG2 THR A 26 14.469 -0.622 2.795 1.00 0.00 C ATOM 0 H THR A 26 10.802 -2.082 2.616 1.00 0.00 H new ATOM 0 HA THR A 26 11.866 0.478 3.359 1.00 0.00 H new ATOM 0 HB THR A 26 13.050 -2.164 2.448 1.00 0.00 H new ATOM 0 HG1 THR A 26 12.340 -2.310 4.557 1.00 0.00 H new ATOM 0 HG21 THR A 26 15.257 -1.309 3.104 1.00 0.00 H new ATOM 0 HG22 THR A 26 14.573 -0.405 1.732 1.00 0.00 H new ATOM 0 HG23 THR A 26 14.551 0.304 3.364 1.00 0.00 H new ATOM 273 N ARG A 27 11.907 -0.446 0.220 1.00 0.00 N ATOM 274 CA ARG A 27 11.981 0.069 -1.140 1.00 0.00 C ATOM 275 C ARG A 27 11.126 1.332 -1.270 1.00 0.00 C ATOM 276 O ARG A 27 11.564 2.349 -1.808 1.00 0.00 O ATOM 277 CB ARG A 27 11.519 -1.021 -2.121 1.00 0.00 C ATOM 278 CG ARG A 27 10.933 -0.496 -3.416 1.00 0.00 C ATOM 279 CD ARG A 27 11.968 0.218 -4.276 1.00 0.00 C ATOM 280 NE ARG A 27 12.982 -0.694 -4.801 1.00 0.00 N ATOM 281 CZ ARG A 27 14.023 -0.304 -5.533 1.00 0.00 C ATOM 282 NH1 ARG A 27 14.215 0.985 -5.790 1.00 0.00 N ATOM 283 NH2 ARG A 27 14.878 -1.202 -6.003 1.00 0.00 N ATOM 0 H ARG A 27 11.603 -1.418 0.283 1.00 0.00 H new ATOM 0 HA ARG A 27 13.010 0.338 -1.379 1.00 0.00 H new ATOM 0 HB2 ARG A 27 12.368 -1.664 -2.356 1.00 0.00 H new ATOM 0 HB3 ARG A 27 10.774 -1.644 -1.627 1.00 0.00 H new ATOM 0 HG2 ARG A 27 10.506 -1.325 -3.980 1.00 0.00 H new ATOM 0 HG3 ARG A 27 10.117 0.190 -3.190 1.00 0.00 H new ATOM 0 HD2 ARG A 27 11.466 0.715 -5.106 1.00 0.00 H new ATOM 0 HD3 ARG A 27 12.453 0.995 -3.685 1.00 0.00 H new ATOM 0 HE ARG A 27 12.886 -1.688 -4.594 1.00 0.00 H new ATOM 0 HH11 ARG A 27 13.563 1.680 -5.426 1.00 0.00 H new ATOM 0 HH12 ARG A 27 15.014 1.280 -6.351 1.00 0.00 H new ATOM 0 HH21 ARG A 27 14.738 -2.193 -5.804 1.00 0.00 H new ATOM 0 HH22 ARG A 27 15.675 -0.902 -6.564 1.00 0.00 H new ATOM 297 N LEU A 28 9.909 1.248 -0.763 1.00 0.00 N ATOM 298 CA LEU A 28 8.992 2.380 -0.738 1.00 0.00 C ATOM 299 C LEU A 28 9.529 3.497 0.167 1.00 0.00 C ATOM 300 O LEU A 28 9.345 4.678 -0.123 1.00 0.00 O ATOM 301 CB LEU A 28 7.621 1.888 -0.271 1.00 0.00 C ATOM 302 CG LEU A 28 6.450 2.862 -0.387 1.00 0.00 C ATOM 303 CD1 LEU A 28 6.456 3.831 0.769 1.00 0.00 C ATOM 304 CD2 LEU A 28 6.484 3.600 -1.712 1.00 0.00 C ATOM 0 H LEU A 28 9.526 0.395 -0.356 1.00 0.00 H new ATOM 0 HA LEU A 28 8.897 2.802 -1.738 1.00 0.00 H new ATOM 0 HB2 LEU A 28 7.372 0.992 -0.840 1.00 0.00 H new ATOM 0 HB3 LEU A 28 7.708 1.588 0.773 1.00 0.00 H new ATOM 0 HG LEU A 28 5.524 2.288 -0.351 1.00 0.00 H new ATOM 0 HD11 LEU A 28 5.616 4.518 0.672 1.00 0.00 H new ATOM 0 HD12 LEU A 28 6.368 3.281 1.706 1.00 0.00 H new ATOM 0 HD13 LEU A 28 7.389 4.395 0.766 1.00 0.00 H new ATOM 0 HD21 LEU A 28 5.639 4.287 -1.768 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.414 4.162 -1.792 1.00 0.00 H new ATOM 0 HD23 LEU A 28 6.423 2.882 -2.530 1.00 0.00 H new ATOM 316 N LYS A 29 10.188 3.124 1.260 1.00 0.00 N ATOM 317 CA LYS A 29 10.825 4.100 2.142 1.00 0.00 C ATOM 318 C LYS A 29 11.825 4.943 1.353 1.00 0.00 C ATOM 319 O LYS A 29 11.925 6.155 1.544 1.00 0.00 O ATOM 320 CB LYS A 29 11.493 3.378 3.329 1.00 0.00 C ATOM 321 CG LYS A 29 12.272 4.272 4.290 1.00 0.00 C ATOM 322 CD LYS A 29 13.682 4.551 3.788 1.00 0.00 C ATOM 323 CE LYS A 29 14.433 5.495 4.711 1.00 0.00 C ATOM 324 NZ LYS A 29 14.587 4.936 6.081 1.00 0.00 N ATOM 0 H LYS A 29 10.296 2.154 1.557 1.00 0.00 H new ATOM 0 HA LYS A 29 10.071 4.775 2.547 1.00 0.00 H new ATOM 0 HB2 LYS A 29 10.722 2.854 3.893 1.00 0.00 H new ATOM 0 HB3 LYS A 29 12.171 2.620 2.936 1.00 0.00 H new ATOM 0 HG2 LYS A 29 11.740 5.214 4.421 1.00 0.00 H new ATOM 0 HG3 LYS A 29 12.323 3.796 5.269 1.00 0.00 H new ATOM 0 HD2 LYS A 29 14.230 3.613 3.704 1.00 0.00 H new ATOM 0 HD3 LYS A 29 13.633 4.983 2.788 1.00 0.00 H new ATOM 0 HE2 LYS A 29 15.418 5.703 4.292 1.00 0.00 H new ATOM 0 HE3 LYS A 29 13.903 6.446 4.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 15.245 5.529 6.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 13.662 4.920 6.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 14.962 3.968 6.021 1.00 0.00 H new ATOM 338 N VAL A 30 12.538 4.295 0.445 1.00 0.00 N ATOM 339 CA VAL A 30 13.492 4.978 -0.418 1.00 0.00 C ATOM 340 C VAL A 30 12.776 5.881 -1.405 1.00 0.00 C ATOM 341 O VAL A 30 13.268 6.947 -1.776 1.00 0.00 O ATOM 342 CB VAL A 30 14.354 3.963 -1.177 1.00 0.00 C ATOM 343 CG1 VAL A 30 15.386 4.659 -2.049 1.00 0.00 C ATOM 344 CG2 VAL A 30 15.016 3.024 -0.192 1.00 0.00 C ATOM 0 H VAL A 30 12.474 3.290 0.285 1.00 0.00 H new ATOM 0 HA VAL A 30 14.136 5.590 0.213 1.00 0.00 H new ATOM 0 HB VAL A 30 13.712 3.384 -1.840 1.00 0.00 H new ATOM 0 HG11 VAL A 30 15.982 3.912 -2.574 1.00 0.00 H new ATOM 0 HG12 VAL A 30 14.879 5.295 -2.775 1.00 0.00 H new ATOM 0 HG13 VAL A 30 16.038 5.269 -1.424 1.00 0.00 H new ATOM 0 HG21 VAL A 30 15.629 2.303 -0.733 1.00 0.00 H new ATOM 0 HG22 VAL A 30 15.645 3.596 0.489 1.00 0.00 H new ATOM 0 HG23 VAL A 30 14.251 2.496 0.378 1.00 0.00 H new ATOM 354 N TYR A 31 11.603 5.448 -1.813 1.00 0.00 N ATOM 355 CA TYR A 31 10.756 6.231 -2.683 1.00 0.00 C ATOM 356 C TYR A 31 10.291 7.488 -1.955 1.00 0.00 C ATOM 357 O TYR A 31 10.206 8.571 -2.544 1.00 0.00 O ATOM 358 CB TYR A 31 9.562 5.389 -3.121 1.00 0.00 C ATOM 359 CG TYR A 31 8.575 6.138 -3.975 1.00 0.00 C ATOM 360 CD1 TYR A 31 8.850 6.411 -5.302 1.00 0.00 C ATOM 361 CD2 TYR A 31 7.370 6.573 -3.450 1.00 0.00 C ATOM 362 CE1 TYR A 31 7.951 7.098 -6.087 1.00 0.00 C ATOM 363 CE2 TYR A 31 6.465 7.261 -4.227 1.00 0.00 C ATOM 364 CZ TYR A 31 6.757 7.522 -5.546 1.00 0.00 C ATOM 365 OH TYR A 31 5.855 8.210 -6.325 1.00 0.00 O ATOM 0 H TYR A 31 11.211 4.544 -1.551 1.00 0.00 H new ATOM 0 HA TYR A 31 11.316 6.532 -3.568 1.00 0.00 H new ATOM 0 HB2 TYR A 31 9.923 4.522 -3.674 1.00 0.00 H new ATOM 0 HB3 TYR A 31 9.050 5.012 -2.236 1.00 0.00 H new ATOM 0 HD1 TYR A 31 9.785 6.080 -5.730 1.00 0.00 H new ATOM 0 HD2 TYR A 31 7.136 6.370 -2.415 1.00 0.00 H new ATOM 0 HE1 TYR A 31 8.181 7.303 -7.122 1.00 0.00 H new ATOM 0 HE2 TYR A 31 5.530 7.594 -3.803 1.00 0.00 H new ATOM 0 HH TYR A 31 6.299 8.521 -7.142 1.00 0.00 H new ATOM 375 N CYS A 32 10.014 7.335 -0.664 1.00 0.00 N ATOM 376 CA CYS A 32 9.608 8.455 0.173 1.00 0.00 C ATOM 377 C CYS A 32 10.792 9.363 0.474 1.00 0.00 C ATOM 378 O CYS A 32 10.623 10.516 0.850 1.00 0.00 O ATOM 379 CB CYS A 32 8.992 7.949 1.477 1.00 0.00 C ATOM 380 SG CYS A 32 7.554 6.893 1.239 1.00 0.00 S ATOM 0 H CYS A 32 10.064 6.442 -0.174 1.00 0.00 H new ATOM 0 HA CYS A 32 8.860 9.031 -0.372 1.00 0.00 H new ATOM 0 HB2 CYS A 32 9.748 7.397 2.035 1.00 0.00 H new ATOM 0 HB3 CYS A 32 8.706 8.805 2.089 1.00 0.00 H new ATOM 0 HG CYS A 32 6.475 7.556 1.534 1.00 0.00 H new ATOM 386 N ALA A 33 11.989 8.837 0.312 1.00 0.00 N ATOM 387 CA ALA A 33 13.190 9.629 0.480 1.00 0.00 C ATOM 388 C ALA A 33 13.494 10.391 -0.804 1.00 0.00 C ATOM 389 O ALA A 33 13.881 11.559 -0.776 1.00 0.00 O ATOM 390 CB ALA A 33 14.352 8.731 0.867 1.00 0.00 C ATOM 0 H ALA A 33 12.156 7.862 0.064 1.00 0.00 H new ATOM 0 HA ALA A 33 13.036 10.354 1.279 1.00 0.00 H new ATOM 0 HB1 ALA A 33 15.252 9.334 0.992 1.00 0.00 H new ATOM 0 HB2 ALA A 33 14.123 8.223 1.804 1.00 0.00 H new ATOM 0 HB3 ALA A 33 14.517 7.991 0.084 1.00 0.00 H new ATOM 396 N LYS A 34 13.281 9.719 -1.927 1.00 0.00 N ATOM 397 CA LYS A 34 13.556 10.280 -3.240 1.00 0.00 C ATOM 398 C LYS A 34 12.580 11.392 -3.586 1.00 0.00 C ATOM 399 O LYS A 34 12.967 12.437 -4.105 1.00 0.00 O ATOM 400 CB LYS A 34 13.485 9.168 -4.293 1.00 0.00 C ATOM 401 CG LYS A 34 13.785 9.635 -5.707 1.00 0.00 C ATOM 402 CD LYS A 34 13.500 8.555 -6.752 1.00 0.00 C ATOM 403 CE LYS A 34 14.529 7.425 -6.739 1.00 0.00 C ATOM 404 NZ LYS A 34 14.326 6.465 -5.619 1.00 0.00 N ATOM 0 H LYS A 34 12.912 8.768 -1.952 1.00 0.00 H new ATOM 0 HA LYS A 34 14.556 10.712 -3.227 1.00 0.00 H new ATOM 0 HB2 LYS A 34 14.190 8.382 -4.024 1.00 0.00 H new ATOM 0 HB3 LYS A 34 12.490 8.725 -4.271 1.00 0.00 H new ATOM 0 HG2 LYS A 34 13.186 10.518 -5.929 1.00 0.00 H new ATOM 0 HG3 LYS A 34 14.831 9.934 -5.774 1.00 0.00 H new ATOM 0 HD2 LYS A 34 12.509 8.138 -6.575 1.00 0.00 H new ATOM 0 HD3 LYS A 34 13.482 9.011 -7.742 1.00 0.00 H new ATOM 0 HE2 LYS A 34 14.480 6.886 -7.685 1.00 0.00 H new ATOM 0 HE3 LYS A 34 15.529 7.853 -6.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 15.217 6.348 -5.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 13.594 6.830 -4.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 14.025 5.545 -6.000 1.00 0.00 H new ATOM 418 N ASN A 35 11.314 11.165 -3.300 1.00 0.00 N ATOM 419 CA ASN A 35 10.286 12.149 -3.597 1.00 0.00 C ATOM 420 C ASN A 35 9.998 12.991 -2.376 1.00 0.00 C ATOM 421 O ASN A 35 9.150 13.883 -2.410 1.00 0.00 O ATOM 422 CB ASN A 35 9.006 11.458 -4.055 1.00 0.00 C ATOM 423 CG ASN A 35 9.172 10.746 -5.378 1.00 0.00 C ATOM 424 OD1 ASN A 35 8.908 11.307 -6.439 1.00 0.00 O ATOM 425 ND2 ASN A 35 9.613 9.501 -5.321 1.00 0.00 N ATOM 0 H ASN A 35 10.970 10.310 -2.863 1.00 0.00 H new ATOM 0 HA ASN A 35 10.649 12.793 -4.398 1.00 0.00 H new ATOM 0 HB2 ASN A 35 8.694 10.740 -3.297 1.00 0.00 H new ATOM 0 HB3 ASN A 35 8.209 12.197 -4.142 1.00 0.00 H new ATOM 0 HD21 ASN A 35 9.746 8.967 -6.180 1.00 0.00 H new ATOM 0 HD22 ASN A 35 9.820 9.074 -4.418 1.00 0.00 H new ATOM 432 N ASN A 36 10.726 12.705 -1.299 1.00 0.00 N ATOM 433 CA ASN A 36 10.479 13.340 -0.001 1.00 0.00 C ATOM 434 C ASN A 36 9.026 13.157 0.452 1.00 0.00 C ATOM 435 O ASN A 36 8.502 13.951 1.233 1.00 0.00 O ATOM 436 CB ASN A 36 10.831 14.824 -0.064 1.00 0.00 C ATOM 437 CG ASN A 36 12.325 15.072 -0.020 1.00 0.00 C ATOM 438 OD1 ASN A 36 13.071 14.341 0.634 1.00 0.00 O ATOM 439 ND2 ASN A 36 12.772 16.104 -0.716 1.00 0.00 N ATOM 0 H ASN A 36 11.495 12.035 -1.297 1.00 0.00 H new ATOM 0 HA ASN A 36 11.118 12.851 0.734 1.00 0.00 H new ATOM 0 HB2 ASN A 36 10.422 15.252 -0.980 1.00 0.00 H new ATOM 0 HB3 ASN A 36 10.356 15.342 0.769 1.00 0.00 H new ATOM 0 HD21 ASN A 36 13.769 16.320 -0.725 1.00 0.00 H new ATOM 0 HD22 ASN A 36 12.120 16.684 -1.244 1.00 0.00 H new ATOM 446 N LEU A 37 8.379 12.110 -0.054 1.00 0.00 N ATOM 447 CA LEU A 37 7.019 11.781 0.322 1.00 0.00 C ATOM 448 C LEU A 37 6.936 11.282 1.752 1.00 0.00 C ATOM 449 O LEU A 37 7.940 10.911 2.362 1.00 0.00 O ATOM 450 CB LEU A 37 6.459 10.703 -0.608 1.00 0.00 C ATOM 451 CG LEU A 37 5.445 11.183 -1.642 1.00 0.00 C ATOM 452 CD1 LEU A 37 6.036 12.276 -2.512 1.00 0.00 C ATOM 453 CD2 LEU A 37 4.972 10.014 -2.491 1.00 0.00 C ATOM 0 H LEU A 37 8.788 11.470 -0.735 1.00 0.00 H new ATOM 0 HA LEU A 37 6.432 12.695 0.237 1.00 0.00 H new ATOM 0 HB2 LEU A 37 7.291 10.234 -1.133 1.00 0.00 H new ATOM 0 HB3 LEU A 37 5.991 9.931 0.002 1.00 0.00 H new ATOM 0 HG LEU A 37 4.587 11.602 -1.117 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.294 12.602 -3.241 1.00 0.00 H new ATOM 0 HD12 LEU A 37 6.326 13.121 -1.888 1.00 0.00 H new ATOM 0 HD13 LEU A 37 6.913 11.892 -3.033 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.249 10.367 -3.226 1.00 0.00 H new ATOM 0 HD22 LEU A 37 5.824 9.570 -3.005 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.504 9.266 -1.851 1.00 0.00 H new ATOM 465 N GLN A 38 5.727 11.278 2.278 1.00 0.00 N ATOM 466 CA GLN A 38 5.465 10.672 3.563 1.00 0.00 C ATOM 467 C GLN A 38 5.170 9.202 3.362 1.00 0.00 C ATOM 468 O GLN A 38 4.452 8.851 2.425 1.00 0.00 O ATOM 469 CB GLN A 38 4.286 11.342 4.259 1.00 0.00 C ATOM 470 CG GLN A 38 4.532 12.796 4.592 1.00 0.00 C ATOM 471 CD GLN A 38 3.320 13.455 5.211 1.00 0.00 C ATOM 472 OE1 GLN A 38 3.147 13.445 6.428 1.00 0.00 O ATOM 473 NE2 GLN A 38 2.470 14.025 4.374 1.00 0.00 N ATOM 0 H GLN A 38 4.909 11.691 1.830 1.00 0.00 H new ATOM 0 HA GLN A 38 6.344 10.798 4.195 1.00 0.00 H new ATOM 0 HB2 GLN A 38 3.406 11.267 3.620 1.00 0.00 H new ATOM 0 HB3 GLN A 38 4.060 10.800 5.177 1.00 0.00 H new ATOM 0 HG2 GLN A 38 5.375 12.872 5.279 1.00 0.00 H new ATOM 0 HG3 GLN A 38 4.811 13.332 3.685 1.00 0.00 H new ATOM 0 HE21 GLN A 38 2.654 14.009 3.371 1.00 0.00 H new ATOM 0 HE22 GLN A 38 1.630 14.481 4.731 1.00 0.00 H new ATOM 482 N LEU A 39 5.741 8.356 4.201 1.00 0.00 N ATOM 483 CA LEU A 39 5.524 6.913 4.108 1.00 0.00 C ATOM 484 C LEU A 39 4.045 6.593 3.904 1.00 0.00 C ATOM 485 O LEU A 39 3.682 5.825 3.011 1.00 0.00 O ATOM 486 CB LEU A 39 6.045 6.212 5.364 1.00 0.00 C ATOM 487 CG LEU A 39 7.120 5.144 5.124 1.00 0.00 C ATOM 488 CD1 LEU A 39 6.665 4.146 4.076 1.00 0.00 C ATOM 489 CD2 LEU A 39 8.436 5.786 4.710 1.00 0.00 C ATOM 0 H LEU A 39 6.362 8.639 4.959 1.00 0.00 H new ATOM 0 HA LEU A 39 6.076 6.546 3.243 1.00 0.00 H new ATOM 0 HB2 LEU A 39 6.450 6.966 6.039 1.00 0.00 H new ATOM 0 HB3 LEU A 39 5.203 5.747 5.876 1.00 0.00 H new ATOM 0 HG LEU A 39 7.278 4.609 6.061 1.00 0.00 H new ATOM 0 HD11 LEU A 39 7.444 3.399 3.923 1.00 0.00 H new ATOM 0 HD12 LEU A 39 5.752 3.655 4.413 1.00 0.00 H new ATOM 0 HD13 LEU A 39 6.472 4.666 3.138 1.00 0.00 H new ATOM 0 HD21 LEU A 39 9.183 5.010 4.545 1.00 0.00 H new ATOM 0 HD22 LEU A 39 8.291 6.352 3.790 1.00 0.00 H new ATOM 0 HD23 LEU A 39 8.777 6.457 5.498 1.00 0.00 H new ATOM 501 N THR A 40 3.195 7.218 4.709 1.00 0.00 N ATOM 502 CA THR A 40 1.765 6.991 4.632 1.00 0.00 C ATOM 503 C THR A 40 1.205 7.407 3.276 1.00 0.00 C ATOM 504 O THR A 40 0.486 6.640 2.636 1.00 0.00 O ATOM 505 CB THR A 40 1.030 7.764 5.734 1.00 0.00 C ATOM 506 OG1 THR A 40 1.695 7.574 6.990 1.00 0.00 O ATOM 507 CG2 THR A 40 -0.416 7.310 5.846 1.00 0.00 C ATOM 0 H THR A 40 3.477 7.888 5.424 1.00 0.00 H new ATOM 0 HA THR A 40 1.605 5.921 4.767 1.00 0.00 H new ATOM 0 HB THR A 40 1.040 8.822 5.472 1.00 0.00 H new ATOM 0 HG1 THR A 40 1.222 8.072 7.689 1.00 0.00 H new ATOM 0 HG21 THR A 40 -0.914 7.874 6.635 1.00 0.00 H new ATOM 0 HG22 THR A 40 -0.926 7.483 4.898 1.00 0.00 H new ATOM 0 HG23 THR A 40 -0.446 6.247 6.086 1.00 0.00 H new ATOM 515 N GLN A 41 1.554 8.615 2.839 1.00 0.00 N ATOM 516 CA GLN A 41 1.077 9.141 1.565 1.00 0.00 C ATOM 517 C GLN A 41 1.464 8.205 0.426 1.00 0.00 C ATOM 518 O GLN A 41 0.702 8.009 -0.521 1.00 0.00 O ATOM 519 CB GLN A 41 1.660 10.536 1.336 1.00 0.00 C ATOM 520 CG GLN A 41 0.996 11.317 0.210 1.00 0.00 C ATOM 521 CD GLN A 41 1.892 11.519 -0.995 1.00 0.00 C ATOM 522 OE1 GLN A 41 1.877 10.730 -1.935 1.00 0.00 O ATOM 523 NE2 GLN A 41 2.702 12.565 -0.964 1.00 0.00 N ATOM 0 H GLN A 41 2.167 9.249 3.351 1.00 0.00 H new ATOM 0 HA GLN A 41 -0.010 9.212 1.592 1.00 0.00 H new ATOM 0 HB2 GLN A 41 1.574 11.109 2.259 1.00 0.00 H new ATOM 0 HB3 GLN A 41 2.724 10.441 1.118 1.00 0.00 H new ATOM 0 HG2 GLN A 41 0.093 10.792 -0.102 1.00 0.00 H new ATOM 0 HG3 GLN A 41 0.684 12.291 0.588 1.00 0.00 H new ATOM 0 HE21 GLN A 41 2.686 13.199 -0.165 1.00 0.00 H new ATOM 0 HE22 GLN A 41 3.342 12.737 -1.739 1.00 0.00 H new ATOM 532 N ALA A 42 2.644 7.611 0.544 1.00 0.00 N ATOM 533 CA ALA A 42 3.131 6.670 -0.450 1.00 0.00 C ATOM 534 C ALA A 42 2.320 5.385 -0.424 1.00 0.00 C ATOM 535 O ALA A 42 1.930 4.881 -1.471 1.00 0.00 O ATOM 536 CB ALA A 42 4.591 6.368 -0.207 1.00 0.00 C ATOM 0 H ALA A 42 3.283 7.767 1.324 1.00 0.00 H new ATOM 0 HA ALA A 42 3.019 7.124 -1.435 1.00 0.00 H new ATOM 0 HB1 ALA A 42 4.946 5.662 -0.957 1.00 0.00 H new ATOM 0 HB2 ALA A 42 5.169 7.290 -0.274 1.00 0.00 H new ATOM 0 HB3 ALA A 42 4.713 5.934 0.786 1.00 0.00 H new ATOM 542 N ILE A 43 2.073 4.856 0.774 1.00 0.00 N ATOM 543 CA ILE A 43 1.227 3.674 0.926 1.00 0.00 C ATOM 544 C ILE A 43 -0.148 3.924 0.325 1.00 0.00 C ATOM 545 O ILE A 43 -0.679 3.085 -0.395 1.00 0.00 O ATOM 546 CB ILE A 43 1.063 3.256 2.410 1.00 0.00 C ATOM 547 CG1 ILE A 43 2.117 2.217 2.806 1.00 0.00 C ATOM 548 CG2 ILE A 43 -0.340 2.725 2.671 1.00 0.00 C ATOM 549 CD1 ILE A 43 3.535 2.735 2.770 1.00 0.00 C ATOM 0 H ILE A 43 2.445 5.225 1.649 1.00 0.00 H new ATOM 0 HA ILE A 43 1.725 2.861 0.397 1.00 0.00 H new ATOM 0 HB ILE A 43 1.212 4.142 3.027 1.00 0.00 H new ATOM 0 HG12 ILE A 43 1.898 1.858 3.811 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.037 1.360 2.137 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -0.431 2.438 3.719 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -1.071 3.500 2.442 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.523 1.856 2.039 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.220 1.940 3.063 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.775 3.067 1.760 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.634 3.572 3.461 1.00 0.00 H new ATOM 561 N GLU A 44 -0.712 5.079 0.629 1.00 0.00 N ATOM 562 CA GLU A 44 -2.042 5.429 0.152 1.00 0.00 C ATOM 563 C GLU A 44 -2.068 5.518 -1.367 1.00 0.00 C ATOM 564 O GLU A 44 -2.957 4.969 -2.002 1.00 0.00 O ATOM 565 CB GLU A 44 -2.505 6.739 0.779 1.00 0.00 C ATOM 566 CG GLU A 44 -2.669 6.655 2.287 1.00 0.00 C ATOM 567 CD GLU A 44 -3.249 7.915 2.883 1.00 0.00 C ATOM 568 OE1 GLU A 44 -4.489 8.031 2.924 1.00 0.00 O ATOM 569 OE2 GLU A 44 -2.473 8.792 3.314 1.00 0.00 O ATOM 0 H GLU A 44 -0.270 5.794 1.206 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.732 4.641 0.454 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -1.785 7.522 0.541 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -3.455 7.032 0.332 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -3.315 5.812 2.531 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -1.699 6.456 2.743 1.00 0.00 H new ATOM 576 N GLU A 45 -1.094 6.205 -1.944 1.00 0.00 N ATOM 577 CA GLU A 45 -0.924 6.226 -3.389 1.00 0.00 C ATOM 578 C GLU A 45 -0.709 4.818 -3.918 1.00 0.00 C ATOM 579 O GLU A 45 -1.192 4.468 -4.996 1.00 0.00 O ATOM 580 CB GLU A 45 0.267 7.101 -3.769 1.00 0.00 C ATOM 581 CG GLU A 45 -0.051 8.579 -3.808 1.00 0.00 C ATOM 582 CD GLU A 45 -0.814 8.968 -5.057 1.00 0.00 C ATOM 583 OE1 GLU A 45 -2.057 8.884 -5.061 1.00 0.00 O ATOM 584 OE2 GLU A 45 -0.165 9.357 -6.053 1.00 0.00 O ATOM 0 H GLU A 45 -0.407 6.757 -1.431 1.00 0.00 H new ATOM 0 HA GLU A 45 -1.829 6.639 -3.834 1.00 0.00 H new ATOM 0 HB2 GLU A 45 1.074 6.931 -3.056 1.00 0.00 H new ATOM 0 HB3 GLU A 45 0.636 6.792 -4.747 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -0.637 8.846 -2.929 1.00 0.00 H new ATOM 0 HG3 GLU A 45 0.876 9.150 -3.758 1.00 0.00 H new ATOM 591 N ALA A 46 0.013 4.016 -3.148 1.00 0.00 N ATOM 592 CA ALA A 46 0.292 2.645 -3.525 1.00 0.00 C ATOM 593 C ALA A 46 -0.989 1.846 -3.611 1.00 0.00 C ATOM 594 O ALA A 46 -1.314 1.279 -4.648 1.00 0.00 O ATOM 595 CB ALA A 46 1.246 2.003 -2.528 1.00 0.00 C ATOM 0 H ALA A 46 0.416 4.297 -2.254 1.00 0.00 H new ATOM 0 HA ALA A 46 0.764 2.650 -4.507 1.00 0.00 H new ATOM 0 HB1 ALA A 46 1.445 0.974 -2.826 1.00 0.00 H new ATOM 0 HB2 ALA A 46 2.181 2.562 -2.508 1.00 0.00 H new ATOM 0 HB3 ALA A 46 0.796 2.013 -1.535 1.00 0.00 H new ATOM 601 N ILE A 47 -1.720 1.831 -2.509 1.00 0.00 N ATOM 602 CA ILE A 47 -2.945 1.087 -2.406 1.00 0.00 C ATOM 603 C ILE A 47 -4.032 1.678 -3.306 1.00 0.00 C ATOM 604 O ILE A 47 -4.909 0.962 -3.787 1.00 0.00 O ATOM 605 CB ILE A 47 -3.397 1.029 -0.931 1.00 0.00 C ATOM 606 CG1 ILE A 47 -4.628 0.152 -0.763 1.00 0.00 C ATOM 607 CG2 ILE A 47 -3.652 2.420 -0.383 1.00 0.00 C ATOM 608 CD1 ILE A 47 -4.945 -0.137 0.683 1.00 0.00 C ATOM 0 H ILE A 47 -1.471 2.340 -1.661 1.00 0.00 H new ATOM 0 HA ILE A 47 -2.768 0.069 -2.753 1.00 0.00 H new ATOM 0 HB ILE A 47 -2.585 0.581 -0.358 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -5.484 0.642 -1.227 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -4.474 -0.789 -1.292 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -3.969 2.349 0.657 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -2.737 3.009 -0.444 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -4.434 2.904 -0.968 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -5.833 -0.767 0.742 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -4.103 -0.653 1.144 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -5.129 0.800 1.209 1.00 0.00 H new ATOM 620 N LYS A 48 -3.947 2.977 -3.558 1.00 0.00 N ATOM 621 CA LYS A 48 -4.874 3.642 -4.457 1.00 0.00 C ATOM 622 C LYS A 48 -4.626 3.203 -5.897 1.00 0.00 C ATOM 623 O LYS A 48 -5.514 2.646 -6.545 1.00 0.00 O ATOM 624 CB LYS A 48 -4.732 5.161 -4.337 1.00 0.00 C ATOM 625 CG LYS A 48 -5.524 5.948 -5.376 1.00 0.00 C ATOM 626 CD LYS A 48 -6.672 6.731 -4.758 1.00 0.00 C ATOM 627 CE LYS A 48 -7.739 5.820 -4.177 1.00 0.00 C ATOM 628 NZ LYS A 48 -8.839 6.594 -3.540 1.00 0.00 N ATOM 0 H LYS A 48 -3.242 3.591 -3.150 1.00 0.00 H new ATOM 0 HA LYS A 48 -5.889 3.361 -4.177 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.055 5.467 -3.342 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -3.678 5.424 -4.425 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.856 6.636 -5.894 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -5.918 5.261 -6.125 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -6.285 7.382 -3.974 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.119 7.375 -5.515 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -8.148 5.190 -4.967 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -7.288 5.156 -3.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -9.548 5.937 -3.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -8.453 7.177 -2.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -9.286 7.209 -4.249 1.00 0.00 H new ATOM 642 N GLU A 49 -3.411 3.441 -6.392 1.00 0.00 N ATOM 643 CA GLU A 49 -3.038 3.030 -7.731 1.00 0.00 C ATOM 644 C GLU A 49 -3.081 1.523 -7.898 1.00 0.00 C ATOM 645 O GLU A 49 -3.044 1.012 -9.015 1.00 0.00 O ATOM 646 CB GLU A 49 -1.664 3.551 -8.069 1.00 0.00 C ATOM 647 CG GLU A 49 -1.700 5.025 -8.394 1.00 0.00 C ATOM 648 CD GLU A 49 -2.959 5.422 -9.131 1.00 0.00 C ATOM 649 OE1 GLU A 49 -3.183 4.907 -10.248 1.00 0.00 O ATOM 650 OE2 GLU A 49 -3.731 6.242 -8.597 1.00 0.00 O ATOM 0 H GLU A 49 -2.671 3.919 -5.877 1.00 0.00 H new ATOM 0 HA GLU A 49 -3.768 3.455 -8.419 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -0.991 3.378 -7.229 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -1.262 2.999 -8.919 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -1.626 5.600 -7.471 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -0.831 5.282 -9.000 1.00 0.00 H new ATOM 657 N TYR A 50 -3.157 0.826 -6.783 1.00 0.00 N ATOM 658 CA TYR A 50 -3.226 -0.612 -6.774 1.00 0.00 C ATOM 659 C TYR A 50 -4.589 -1.085 -7.229 1.00 0.00 C ATOM 660 O TYR A 50 -4.700 -1.882 -8.157 1.00 0.00 O ATOM 661 CB TYR A 50 -2.942 -1.125 -5.376 1.00 0.00 C ATOM 662 CG TYR A 50 -3.092 -2.609 -5.232 1.00 0.00 C ATOM 663 CD1 TYR A 50 -2.274 -3.459 -5.942 1.00 0.00 C ATOM 664 CD2 TYR A 50 -4.031 -3.153 -4.375 1.00 0.00 C ATOM 665 CE1 TYR A 50 -2.380 -4.827 -5.813 1.00 0.00 C ATOM 666 CE2 TYR A 50 -4.152 -4.526 -4.234 1.00 0.00 C ATOM 667 CZ TYR A 50 -3.320 -5.359 -4.958 1.00 0.00 C ATOM 668 OH TYR A 50 -3.430 -6.725 -4.825 1.00 0.00 O ATOM 0 H TYR A 50 -3.172 1.248 -5.855 1.00 0.00 H new ATOM 0 HA TYR A 50 -2.479 -1.002 -7.465 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -1.927 -0.843 -5.095 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -3.615 -0.632 -4.675 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -1.535 -3.046 -6.613 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -4.678 -2.500 -3.809 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -1.730 -5.478 -6.379 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -4.890 -4.942 -3.564 1.00 0.00 H new ATOM 0 HH TYR A 50 -4.366 -6.990 -4.939 1.00 0.00 H new ATOM 678 N LEU A 51 -5.621 -0.582 -6.573 1.00 0.00 N ATOM 679 CA LEU A 51 -6.987 -0.938 -6.915 1.00 0.00 C ATOM 680 C LEU A 51 -7.286 -0.614 -8.365 1.00 0.00 C ATOM 681 O LEU A 51 -7.963 -1.375 -9.050 1.00 0.00 O ATOM 682 CB LEU A 51 -7.984 -0.220 -6.008 1.00 0.00 C ATOM 683 CG LEU A 51 -8.350 -0.953 -4.713 1.00 0.00 C ATOM 684 CD1 LEU A 51 -7.936 -2.417 -4.768 1.00 0.00 C ATOM 685 CD2 LEU A 51 -7.735 -0.252 -3.507 1.00 0.00 C ATOM 0 H LEU A 51 -5.538 0.076 -5.798 1.00 0.00 H new ATOM 0 HA LEU A 51 -7.092 -2.013 -6.768 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -7.574 0.756 -5.748 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -8.898 -0.041 -6.574 1.00 0.00 H new ATOM 0 HG LEU A 51 -9.434 -0.925 -4.606 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -8.210 -2.908 -3.834 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -8.444 -2.908 -5.598 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -6.858 -2.485 -4.911 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -8.006 -0.788 -2.597 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -6.650 -0.237 -3.609 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -8.108 0.771 -3.451 1.00 0.00 H new ATOM 697 N GLN A 52 -6.751 0.495 -8.840 1.00 0.00 N ATOM 698 CA GLN A 52 -6.990 0.910 -10.216 1.00 0.00 C ATOM 699 C GLN A 52 -6.119 0.123 -11.190 1.00 0.00 C ATOM 700 O GLN A 52 -6.479 -0.056 -12.351 1.00 0.00 O ATOM 701 CB GLN A 52 -6.757 2.412 -10.386 1.00 0.00 C ATOM 702 CG GLN A 52 -7.963 3.264 -10.016 1.00 0.00 C ATOM 703 CD GLN A 52 -8.326 3.183 -8.547 1.00 0.00 C ATOM 704 OE1 GLN A 52 -9.096 2.320 -8.128 1.00 0.00 O ATOM 705 NE2 GLN A 52 -7.788 4.094 -7.755 1.00 0.00 N ATOM 0 H GLN A 52 -6.153 1.122 -8.302 1.00 0.00 H new ATOM 0 HA GLN A 52 -8.034 0.697 -10.445 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -5.909 2.711 -9.770 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -6.485 2.614 -11.422 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -7.759 4.303 -10.276 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -8.819 2.948 -10.613 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -7.154 4.794 -8.140 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -8.007 4.097 -6.759 1.00 0.00 H new ATOM 714 N LYS A 53 -4.975 -0.344 -10.712 1.00 0.00 N ATOM 715 CA LYS A 53 -4.095 -1.186 -11.518 1.00 0.00 C ATOM 716 C LYS A 53 -4.648 -2.596 -11.596 1.00 0.00 C ATOM 717 O LYS A 53 -4.288 -3.371 -12.477 1.00 0.00 O ATOM 718 CB LYS A 53 -2.690 -1.225 -10.914 1.00 0.00 C ATOM 719 CG LYS A 53 -1.663 -1.927 -11.789 1.00 0.00 C ATOM 720 CD LYS A 53 -0.295 -1.975 -11.124 1.00 0.00 C ATOM 721 CE LYS A 53 0.730 -2.669 -12.010 1.00 0.00 C ATOM 722 NZ LYS A 53 2.083 -2.704 -11.390 1.00 0.00 N ATOM 0 H LYS A 53 -4.632 -0.156 -9.770 1.00 0.00 H new ATOM 0 HA LYS A 53 -4.040 -0.762 -12.521 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -2.357 -0.204 -10.727 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -2.734 -1.728 -9.948 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -2.000 -2.942 -12.002 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -1.585 -1.409 -12.745 1.00 0.00 H new ATOM 0 HD2 LYS A 53 0.040 -0.961 -10.903 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -0.370 -2.500 -10.172 1.00 0.00 H new ATOM 0 HE2 LYS A 53 0.400 -3.688 -12.214 1.00 0.00 H new ATOM 0 HE3 LYS A 53 0.786 -2.154 -12.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 2.797 -2.440 -12.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 2.119 -2.033 -10.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 2.280 -3.664 -11.041 1.00 0.00 H new ATOM 736 N ARG A 54 -5.537 -2.914 -10.675 1.00 0.00 N ATOM 737 CA ARG A 54 -6.022 -4.263 -10.534 1.00 0.00 C ATOM 738 C ARG A 54 -7.471 -4.368 -11.002 1.00 0.00 C ATOM 739 O ARG A 54 -7.748 -4.937 -12.056 1.00 0.00 O ATOM 740 CB ARG A 54 -5.909 -4.682 -9.072 1.00 0.00 C ATOM 741 CG ARG A 54 -5.616 -6.161 -8.874 1.00 0.00 C ATOM 742 CD ARG A 54 -4.118 -6.431 -8.898 1.00 0.00 C ATOM 743 NE ARG A 54 -3.766 -7.701 -8.257 1.00 0.00 N ATOM 744 CZ ARG A 54 -2.536 -8.001 -7.827 1.00 0.00 C ATOM 745 NH1 ARG A 54 -1.519 -7.183 -8.071 1.00 0.00 N ATOM 746 NH2 ARG A 54 -2.315 -9.133 -7.171 1.00 0.00 N ATOM 0 H ARG A 54 -5.937 -2.249 -10.013 1.00 0.00 H new ATOM 0 HA ARG A 54 -5.419 -4.927 -11.154 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -5.120 -4.099 -8.597 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -6.839 -4.435 -8.561 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -6.033 -6.494 -7.924 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -6.106 -6.740 -9.657 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -3.770 -6.441 -9.931 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -3.597 -5.617 -8.394 1.00 0.00 H new ATOM 0 HE ARG A 54 -4.502 -8.396 -8.132 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -1.673 -6.318 -8.590 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -0.584 -7.419 -7.740 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -3.085 -9.778 -6.993 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -1.375 -9.358 -6.845 1.00 0.00 H new ATOM 760 N ASN A 55 -8.383 -3.791 -10.220 1.00 0.00 N ATOM 761 CA ASN A 55 -9.816 -3.858 -10.504 1.00 0.00 C ATOM 762 C ASN A 55 -10.629 -3.096 -9.456 1.00 0.00 C ATOM 763 O ASN A 55 -11.302 -2.118 -9.782 1.00 0.00 O ATOM 764 CB ASN A 55 -10.322 -5.310 -10.618 1.00 0.00 C ATOM 765 CG ASN A 55 -9.736 -6.269 -9.594 1.00 0.00 C ATOM 766 OD1 ASN A 55 -9.375 -5.888 -8.482 1.00 0.00 O ATOM 767 ND2 ASN A 55 -9.641 -7.535 -9.969 1.00 0.00 N ATOM 0 H ASN A 55 -8.151 -3.267 -9.376 1.00 0.00 H new ATOM 0 HA ASN A 55 -9.961 -3.380 -11.473 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -11.407 -5.311 -10.517 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -10.094 -5.682 -11.617 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -9.259 -8.230 -9.327 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -9.950 -7.816 -10.899 1.00 0.00 H new ATOM 774 N GLY A 56 -10.553 -3.533 -8.204 1.00 0.00 N ATOM 775 CA GLY A 56 -11.344 -2.933 -7.155 1.00 0.00 C ATOM 776 C GLY A 56 -12.581 -3.747 -6.848 1.00 0.00 C ATOM 777 O GLY A 56 -13.637 -3.485 -7.457 1.00 0.00 O ATOM 778 OXT GLY A 56 -12.499 -4.663 -6.003 1.00 0.00 O ATOM 0 H GLY A 56 -9.952 -4.298 -7.899 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -10.739 -2.837 -6.253 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -11.636 -1.926 -7.451 1.00 0.00 H new TER 782 GLY A 56 ATOM 783 N LYS B 11 14.293 -8.656 10.928 1.00 0.00 N ATOM 784 CA LYS B 11 14.466 -8.918 9.480 1.00 0.00 C ATOM 785 C LYS B 11 13.219 -9.590 8.921 1.00 0.00 C ATOM 786 O LYS B 11 12.320 -9.959 9.683 1.00 0.00 O ATOM 787 CB LYS B 11 15.695 -9.802 9.238 1.00 0.00 C ATOM 788 CG LYS B 11 15.575 -11.191 9.842 1.00 0.00 C ATOM 789 CD LYS B 11 16.798 -12.037 9.541 1.00 0.00 C ATOM 790 CE LYS B 11 16.641 -13.444 10.091 1.00 0.00 C ATOM 791 NZ LYS B 11 17.822 -14.298 9.798 1.00 0.00 N ATOM 0 HA LYS B 11 14.617 -7.967 8.969 1.00 0.00 H new ATOM 0 HB2 LYS B 11 15.859 -9.895 8.164 1.00 0.00 H new ATOM 0 HB3 LYS B 11 16.574 -9.309 9.654 1.00 0.00 H new ATOM 0 HG2 LYS B 11 15.445 -11.109 10.921 1.00 0.00 H new ATOM 0 HG3 LYS B 11 14.685 -11.684 9.450 1.00 0.00 H new ATOM 0 HD2 LYS B 11 16.957 -12.080 8.464 1.00 0.00 H new ATOM 0 HD3 LYS B 11 17.682 -11.570 9.975 1.00 0.00 H new ATOM 0 HE2 LYS B 11 16.489 -13.396 11.169 1.00 0.00 H new ATOM 0 HE3 LYS B 11 15.749 -13.902 9.663 1.00 0.00 H new ATOM 0 HZ1 LYS B 11 17.670 -15.248 10.192 1.00 0.00 H new ATOM 0 HZ2 LYS B 11 17.954 -14.367 8.769 1.00 0.00 H new ATOM 0 HZ3 LYS B 11 18.670 -13.877 10.228 1.00 0.00 H new ATOM 805 N GLN B 12 13.178 -9.738 7.594 1.00 0.00 N ATOM 806 CA GLN B 12 12.065 -10.377 6.888 1.00 0.00 C ATOM 807 C GLN B 12 10.823 -9.494 6.942 1.00 0.00 C ATOM 808 O GLN B 12 10.492 -8.816 5.969 1.00 0.00 O ATOM 809 CB GLN B 12 11.766 -11.768 7.475 1.00 0.00 C ATOM 810 CG GLN B 12 11.042 -12.724 6.525 1.00 0.00 C ATOM 811 CD GLN B 12 9.610 -12.314 6.224 1.00 0.00 C ATOM 812 OE1 GLN B 12 8.682 -12.680 6.947 1.00 0.00 O ATOM 813 NE2 GLN B 12 9.421 -11.572 5.143 1.00 0.00 N ATOM 0 H GLN B 12 13.922 -9.415 6.975 1.00 0.00 H new ATOM 0 HA GLN B 12 12.354 -10.506 5.845 1.00 0.00 H new ATOM 0 HB2 GLN B 12 12.706 -12.227 7.783 1.00 0.00 H new ATOM 0 HB3 GLN B 12 11.162 -11.645 8.374 1.00 0.00 H new ATOM 0 HG2 GLN B 12 11.598 -12.784 5.590 1.00 0.00 H new ATOM 0 HG3 GLN B 12 11.041 -13.724 6.960 1.00 0.00 H new ATOM 0 HE21 GLN B 12 10.218 -11.291 4.572 1.00 0.00 H new ATOM 0 HE22 GLN B 12 8.479 -11.282 4.882 1.00 0.00 H new ATOM 822 N LYS B 13 10.161 -9.486 8.088 1.00 0.00 N ATOM 823 CA LYS B 13 8.909 -8.753 8.236 1.00 0.00 C ATOM 824 C LYS B 13 9.094 -7.521 9.110 1.00 0.00 C ATOM 825 O LYS B 13 9.990 -7.466 9.958 1.00 0.00 O ATOM 826 CB LYS B 13 7.808 -9.645 8.824 1.00 0.00 C ATOM 827 CG LYS B 13 8.148 -10.228 10.187 1.00 0.00 C ATOM 828 CD LYS B 13 6.936 -10.902 10.812 1.00 0.00 C ATOM 829 CE LYS B 13 7.254 -11.526 12.167 1.00 0.00 C ATOM 830 NZ LYS B 13 8.274 -12.604 12.058 1.00 0.00 N ATOM 0 H LYS B 13 10.467 -9.977 8.928 1.00 0.00 H new ATOM 0 HA LYS B 13 8.604 -8.434 7.240 1.00 0.00 H new ATOM 0 HB2 LYS B 13 6.889 -9.064 8.907 1.00 0.00 H new ATOM 0 HB3 LYS B 13 7.607 -10.462 8.131 1.00 0.00 H new ATOM 0 HG2 LYS B 13 8.958 -10.951 10.085 1.00 0.00 H new ATOM 0 HG3 LYS B 13 8.508 -9.437 10.845 1.00 0.00 H new ATOM 0 HD2 LYS B 13 6.137 -10.170 10.930 1.00 0.00 H new ATOM 0 HD3 LYS B 13 6.564 -11.673 10.138 1.00 0.00 H new ATOM 0 HE2 LYS B 13 7.614 -10.753 12.846 1.00 0.00 H new ATOM 0 HE3 LYS B 13 6.341 -11.933 12.602 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 8.326 -13.125 12.957 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 8.008 -13.258 11.294 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 9.202 -12.184 11.847 1.00 0.00 H new ATOM 844 N ALA B 14 8.246 -6.535 8.888 1.00 0.00 N ATOM 845 CA ALA B 14 8.250 -5.313 9.666 1.00 0.00 C ATOM 846 C ALA B 14 6.823 -4.918 10.003 1.00 0.00 C ATOM 847 O ALA B 14 5.876 -5.484 9.465 1.00 0.00 O ATOM 848 CB ALA B 14 8.934 -4.206 8.891 1.00 0.00 C ATOM 0 H ALA B 14 7.532 -6.560 8.160 1.00 0.00 H new ATOM 0 HA ALA B 14 8.800 -5.478 10.592 1.00 0.00 H new ATOM 0 HB1 ALA B 14 8.932 -3.292 9.484 1.00 0.00 H new ATOM 0 HB2 ALA B 14 9.962 -4.495 8.674 1.00 0.00 H new ATOM 0 HB3 ALA B 14 8.401 -4.033 7.956 1.00 0.00 H new ATOM 854 N VAL B 15 6.667 -3.953 10.889 1.00 0.00 N ATOM 855 CA VAL B 15 5.343 -3.484 11.262 1.00 0.00 C ATOM 856 C VAL B 15 5.130 -2.088 10.706 1.00 0.00 C ATOM 857 O VAL B 15 6.091 -1.396 10.360 1.00 0.00 O ATOM 858 CB VAL B 15 5.145 -3.445 12.791 1.00 0.00 C ATOM 859 CG1 VAL B 15 3.667 -3.501 13.152 1.00 0.00 C ATOM 860 CG2 VAL B 15 5.911 -4.567 13.469 1.00 0.00 C ATOM 0 H VAL B 15 7.436 -3.479 11.363 1.00 0.00 H new ATOM 0 HA VAL B 15 4.619 -4.185 10.847 1.00 0.00 H new ATOM 0 HB VAL B 15 5.544 -2.498 13.155 1.00 0.00 H new ATOM 0 HG11 VAL B 15 3.556 -3.472 14.236 1.00 0.00 H new ATOM 0 HG12 VAL B 15 3.152 -2.647 12.712 1.00 0.00 H new ATOM 0 HG13 VAL B 15 3.233 -4.424 12.767 1.00 0.00 H new ATOM 0 HG21 VAL B 15 5.754 -4.516 14.546 1.00 0.00 H new ATOM 0 HG22 VAL B 15 5.556 -5.527 13.096 1.00 0.00 H new ATOM 0 HG23 VAL B 15 6.974 -4.464 13.252 1.00 0.00 H new ATOM 870 N PHE B 16 3.882 -1.677 10.628 1.00 0.00 N ATOM 871 CA PHE B 16 3.551 -0.380 10.072 1.00 0.00 C ATOM 872 C PHE B 16 2.302 0.166 10.744 1.00 0.00 C ATOM 873 O PHE B 16 1.304 -0.542 10.875 1.00 0.00 O ATOM 874 CB PHE B 16 3.341 -0.512 8.562 1.00 0.00 C ATOM 875 CG PHE B 16 3.671 0.728 7.783 1.00 0.00 C ATOM 876 CD1 PHE B 16 4.840 1.429 8.038 1.00 0.00 C ATOM 877 CD2 PHE B 16 2.824 1.186 6.787 1.00 0.00 C ATOM 878 CE1 PHE B 16 5.155 2.562 7.316 1.00 0.00 C ATOM 879 CE2 PHE B 16 3.138 2.316 6.062 1.00 0.00 C ATOM 880 CZ PHE B 16 4.303 3.005 6.327 1.00 0.00 C ATOM 0 H PHE B 16 3.079 -2.222 10.942 1.00 0.00 H new ATOM 0 HA PHE B 16 4.370 0.317 10.252 1.00 0.00 H new ATOM 0 HB2 PHE B 16 3.954 -1.334 8.192 1.00 0.00 H new ATOM 0 HB3 PHE B 16 2.301 -0.780 8.373 1.00 0.00 H new ATOM 0 HD1 PHE B 16 5.512 1.084 8.810 1.00 0.00 H new ATOM 0 HD2 PHE B 16 1.909 0.653 6.576 1.00 0.00 H new ATOM 0 HE1 PHE B 16 6.067 3.101 7.525 1.00 0.00 H new ATOM 0 HE2 PHE B 16 2.471 2.662 5.286 1.00 0.00 H new ATOM 0 HZ PHE B 16 4.548 3.891 5.760 1.00 0.00 H new ATOM 890 N GLY B 17 2.374 1.410 11.196 1.00 0.00 N ATOM 891 CA GLY B 17 1.243 2.034 11.852 1.00 0.00 C ATOM 892 C GLY B 17 1.010 3.440 11.347 1.00 0.00 C ATOM 893 O GLY B 17 1.616 4.394 11.843 1.00 0.00 O ATOM 0 H GLY B 17 3.201 2.002 11.119 1.00 0.00 H new ATOM 0 HA2 GLY B 17 0.349 1.434 11.684 1.00 0.00 H new ATOM 0 HA3 GLY B 17 1.414 2.057 12.928 1.00 0.00 H new ATOM 897 N ILE B 18 0.131 3.573 10.366 1.00 0.00 N ATOM 898 CA ILE B 18 -0.090 4.853 9.711 1.00 0.00 C ATOM 899 C ILE B 18 -1.561 5.251 9.724 1.00 0.00 C ATOM 900 O ILE B 18 -2.429 4.445 10.062 1.00 0.00 O ATOM 901 CB ILE B 18 0.400 4.815 8.256 1.00 0.00 C ATOM 902 CG1 ILE B 18 -0.317 3.708 7.476 1.00 0.00 C ATOM 903 CG2 ILE B 18 1.901 4.601 8.232 1.00 0.00 C ATOM 904 CD1 ILE B 18 -0.066 3.756 5.989 1.00 0.00 C ATOM 0 H ILE B 18 -0.441 2.810 10.006 1.00 0.00 H new ATOM 0 HA ILE B 18 0.479 5.594 10.273 1.00 0.00 H new ATOM 0 HB ILE B 18 0.170 5.767 7.777 1.00 0.00 H new ATOM 0 HG12 ILE B 18 0.004 2.739 7.859 1.00 0.00 H new ATOM 0 HG13 ILE B 18 -1.389 3.783 7.658 1.00 0.00 H new ATOM 0 HG21 ILE B 18 2.248 4.574 7.199 1.00 0.00 H new ATOM 0 HG22 ILE B 18 2.393 5.418 8.759 1.00 0.00 H new ATOM 0 HG23 ILE B 18 2.142 3.657 8.720 1.00 0.00 H new ATOM 0 HD11 ILE B 18 -0.605 2.943 5.503 1.00 0.00 H new ATOM 0 HD12 ILE B 18 -0.413 4.710 5.592 1.00 0.00 H new ATOM 0 HD13 ILE B 18 1.002 3.650 5.797 1.00 0.00 H new ATOM 916 N TYR B 19 -1.826 6.499 9.359 1.00 0.00 N ATOM 917 CA TYR B 19 -3.189 7.001 9.258 1.00 0.00 C ATOM 918 C TYR B 19 -3.552 7.225 7.795 1.00 0.00 C ATOM 919 O TYR B 19 -3.211 8.254 7.211 1.00 0.00 O ATOM 920 CB TYR B 19 -3.349 8.310 10.036 1.00 0.00 C ATOM 921 CG TYR B 19 -3.035 8.200 11.509 1.00 0.00 C ATOM 922 CD1 TYR B 19 -3.830 7.434 12.356 1.00 0.00 C ATOM 923 CD2 TYR B 19 -1.950 8.872 12.057 1.00 0.00 C ATOM 924 CE1 TYR B 19 -3.548 7.344 13.705 1.00 0.00 C ATOM 925 CE2 TYR B 19 -1.662 8.782 13.404 1.00 0.00 C ATOM 926 CZ TYR B 19 -2.465 8.017 14.223 1.00 0.00 C ATOM 927 OH TYR B 19 -2.180 7.923 15.563 1.00 0.00 O ATOM 0 H TYR B 19 -1.109 7.186 9.127 1.00 0.00 H new ATOM 0 HA TYR B 19 -3.860 6.258 9.690 1.00 0.00 H new ATOM 0 HB2 TYR B 19 -2.698 9.064 9.593 1.00 0.00 H new ATOM 0 HB3 TYR B 19 -4.373 8.665 9.920 1.00 0.00 H new ATOM 0 HD1 TYR B 19 -4.679 6.902 11.953 1.00 0.00 H new ATOM 0 HD2 TYR B 19 -1.321 9.475 11.419 1.00 0.00 H new ATOM 0 HE1 TYR B 19 -4.175 6.748 14.351 1.00 0.00 H new ATOM 0 HE2 TYR B 19 -0.812 9.308 13.814 1.00 0.00 H new ATOM 0 HH TYR B 19 -1.383 8.457 15.766 1.00 0.00 H new ATOM 937 N MET B 20 -4.228 6.250 7.212 1.00 0.00 N ATOM 938 CA MET B 20 -4.604 6.307 5.803 1.00 0.00 C ATOM 939 C MET B 20 -6.105 6.527 5.664 1.00 0.00 C ATOM 940 O MET B 20 -6.867 6.219 6.581 1.00 0.00 O ATOM 941 CB MET B 20 -4.173 5.021 5.083 1.00 0.00 C ATOM 942 CG MET B 20 -4.826 3.757 5.624 1.00 0.00 C ATOM 943 SD MET B 20 -4.035 2.249 5.021 1.00 0.00 S ATOM 944 CE MET B 20 -4.372 2.350 3.266 1.00 0.00 C ATOM 0 H MET B 20 -4.531 5.403 7.693 1.00 0.00 H new ATOM 0 HA MET B 20 -4.090 7.148 5.337 1.00 0.00 H new ATOM 0 HB2 MET B 20 -4.410 5.114 4.023 1.00 0.00 H new ATOM 0 HB3 MET B 20 -3.090 4.919 5.160 1.00 0.00 H new ATOM 0 HG2 MET B 20 -4.788 3.771 6.713 1.00 0.00 H new ATOM 0 HG3 MET B 20 -5.879 3.748 5.342 1.00 0.00 H new ATOM 0 HE1 MET B 20 -3.897 1.512 2.756 1.00 0.00 H new ATOM 0 HE2 MET B 20 -5.449 2.313 3.100 1.00 0.00 H new ATOM 0 HE3 MET B 20 -3.976 3.286 2.873 1.00 0.00 H new ATOM 954 N ASP B 21 -6.523 7.064 4.522 1.00 0.00 N ATOM 955 CA ASP B 21 -7.916 7.423 4.297 1.00 0.00 C ATOM 956 C ASP B 21 -8.848 6.218 4.390 1.00 0.00 C ATOM 957 O ASP B 21 -8.445 5.076 4.143 1.00 0.00 O ATOM 958 CB ASP B 21 -8.090 8.101 2.937 1.00 0.00 C ATOM 959 CG ASP B 21 -7.498 9.498 2.881 1.00 0.00 C ATOM 960 OD1 ASP B 21 -7.500 10.202 3.911 1.00 0.00 O ATOM 961 OD2 ASP B 21 -7.048 9.909 1.791 1.00 0.00 O ATOM 0 H ASP B 21 -5.909 7.261 3.732 1.00 0.00 H new ATOM 0 HA ASP B 21 -8.189 8.120 5.089 1.00 0.00 H new ATOM 0 HB2 ASP B 21 -7.622 7.485 2.169 1.00 0.00 H new ATOM 0 HB3 ASP B 21 -9.152 8.155 2.699 1.00 0.00 H new ATOM 966 N LYS B 22 -10.107 6.487 4.714 1.00 0.00 N ATOM 967 CA LYS B 22 -11.091 5.449 4.954 1.00 0.00 C ATOM 968 C LYS B 22 -11.530 4.812 3.653 1.00 0.00 C ATOM 969 O LYS B 22 -11.275 3.636 3.433 1.00 0.00 O ATOM 970 CB LYS B 22 -12.305 6.045 5.673 1.00 0.00 C ATOM 971 CG LYS B 22 -13.476 5.083 5.826 1.00 0.00 C ATOM 972 CD LYS B 22 -14.699 5.790 6.389 1.00 0.00 C ATOM 973 CE LYS B 22 -15.896 4.857 6.505 1.00 0.00 C ATOM 974 NZ LYS B 22 -15.718 3.843 7.575 1.00 0.00 N ATOM 0 H LYS B 22 -10.471 7.434 4.817 1.00 0.00 H new ATOM 0 HA LYS B 22 -10.637 4.680 5.579 1.00 0.00 H new ATOM 0 HB2 LYS B 22 -11.997 6.384 6.662 1.00 0.00 H new ATOM 0 HB3 LYS B 22 -12.642 6.925 5.125 1.00 0.00 H new ATOM 0 HG2 LYS B 22 -13.719 4.645 4.858 1.00 0.00 H new ATOM 0 HG3 LYS B 22 -13.192 4.262 6.485 1.00 0.00 H new ATOM 0 HD2 LYS B 22 -14.461 6.198 7.371 1.00 0.00 H new ATOM 0 HD3 LYS B 22 -14.957 6.633 5.748 1.00 0.00 H new ATOM 0 HE2 LYS B 22 -16.792 5.443 6.708 1.00 0.00 H new ATOM 0 HE3 LYS B 22 -16.054 4.352 5.552 1.00 0.00 H new ATOM 0 HZ1 LYS B 22 -16.565 3.242 7.628 1.00 0.00 H new ATOM 0 HZ2 LYS B 22 -14.888 3.254 7.361 1.00 0.00 H new ATOM 0 HZ3 LYS B 22 -15.576 4.322 8.487 1.00 0.00 H new ATOM 988 N ASP B 23 -12.177 5.601 2.800 1.00 0.00 N ATOM 989 CA ASP B 23 -12.726 5.109 1.531 1.00 0.00 C ATOM 990 C ASP B 23 -11.688 4.316 0.746 1.00 0.00 C ATOM 991 O ASP B 23 -11.992 3.295 0.141 1.00 0.00 O ATOM 992 CB ASP B 23 -13.228 6.281 0.685 1.00 0.00 C ATOM 993 CG ASP B 23 -13.787 5.844 -0.657 1.00 0.00 C ATOM 994 OD1 ASP B 23 -13.012 5.757 -1.631 1.00 0.00 O ATOM 995 OD2 ASP B 23 -15.010 5.598 -0.743 1.00 0.00 O ATOM 0 H ASP B 23 -12.337 6.595 2.963 1.00 0.00 H new ATOM 0 HA ASP B 23 -13.558 4.444 1.764 1.00 0.00 H new ATOM 0 HB2 ASP B 23 -14.000 6.817 1.237 1.00 0.00 H new ATOM 0 HB3 ASP B 23 -12.409 6.981 0.521 1.00 0.00 H new ATOM 1000 N LEU B 24 -10.455 4.785 0.798 1.00 0.00 N ATOM 1001 CA LEU B 24 -9.349 4.165 0.107 1.00 0.00 C ATOM 1002 C LEU B 24 -9.000 2.814 0.744 1.00 0.00 C ATOM 1003 O LEU B 24 -9.016 1.784 0.066 1.00 0.00 O ATOM 1004 CB LEU B 24 -8.178 5.160 0.133 1.00 0.00 C ATOM 1005 CG LEU B 24 -6.803 4.673 -0.321 1.00 0.00 C ATOM 1006 CD1 LEU B 24 -6.062 4.132 0.881 1.00 0.00 C ATOM 1007 CD2 LEU B 24 -6.909 3.620 -1.422 1.00 0.00 C ATOM 0 H LEU B 24 -10.195 5.617 1.328 1.00 0.00 H new ATOM 0 HA LEU B 24 -9.603 3.942 -0.929 1.00 0.00 H new ATOM 0 HB2 LEU B 24 -8.451 6.011 -0.490 1.00 0.00 H new ATOM 0 HB3 LEU B 24 -8.079 5.530 1.153 1.00 0.00 H new ATOM 0 HG LEU B 24 -6.252 5.511 -0.748 1.00 0.00 H new ATOM 0 HD11 LEU B 24 -5.077 3.780 0.573 1.00 0.00 H new ATOM 0 HD12 LEU B 24 -5.949 4.921 1.624 1.00 0.00 H new ATOM 0 HD13 LEU B 24 -6.625 3.304 1.313 1.00 0.00 H new ATOM 0 HD21 LEU B 24 -5.910 3.300 -1.717 1.00 0.00 H new ATOM 0 HD22 LEU B 24 -7.470 2.762 -1.052 1.00 0.00 H new ATOM 0 HD23 LEU B 24 -7.423 4.045 -2.284 1.00 0.00 H new ATOM 1019 N LYS B 25 -8.709 2.811 2.044 1.00 0.00 N ATOM 1020 CA LYS B 25 -8.366 1.576 2.734 1.00 0.00 C ATOM 1021 C LYS B 25 -9.556 0.618 2.689 1.00 0.00 C ATOM 1022 O LYS B 25 -9.404 -0.601 2.677 1.00 0.00 O ATOM 1023 CB LYS B 25 -8.013 1.873 4.189 1.00 0.00 C ATOM 1024 CG LYS B 25 -7.246 0.756 4.870 1.00 0.00 C ATOM 1025 CD LYS B 25 -7.067 1.020 6.356 1.00 0.00 C ATOM 1026 CE LYS B 25 -8.224 0.469 7.184 1.00 0.00 C ATOM 1027 NZ LYS B 25 -9.505 1.181 6.945 1.00 0.00 N ATOM 0 H LYS B 25 -8.705 3.644 2.633 1.00 0.00 H new ATOM 0 HA LYS B 25 -7.508 1.120 2.241 1.00 0.00 H new ATOM 0 HB2 LYS B 25 -7.420 2.787 4.231 1.00 0.00 H new ATOM 0 HB3 LYS B 25 -8.931 2.063 4.745 1.00 0.00 H new ATOM 0 HG2 LYS B 25 -7.775 -0.187 4.729 1.00 0.00 H new ATOM 0 HG3 LYS B 25 -6.269 0.647 4.400 1.00 0.00 H new ATOM 0 HD2 LYS B 25 -6.134 0.569 6.693 1.00 0.00 H new ATOM 0 HD3 LYS B 25 -6.981 2.093 6.525 1.00 0.00 H new ATOM 0 HE2 LYS B 25 -8.355 -0.588 6.955 1.00 0.00 H new ATOM 0 HE3 LYS B 25 -7.970 0.537 8.242 1.00 0.00 H new ATOM 0 HZ1 LYS B 25 -10.131 1.054 7.765 1.00 0.00 H new ATOM 0 HZ2 LYS B 25 -9.318 2.195 6.806 1.00 0.00 H new ATOM 0 HZ3 LYS B 25 -9.964 0.794 6.096 1.00 0.00 H new ATOM 1041 N THR B 26 -10.739 1.212 2.653 1.00 0.00 N ATOM 1042 CA THR B 26 -11.998 0.479 2.663 1.00 0.00 C ATOM 1043 C THR B 26 -12.268 -0.166 1.305 1.00 0.00 C ATOM 1044 O THR B 26 -12.721 -1.307 1.229 1.00 0.00 O ATOM 1045 CB THR B 26 -13.164 1.414 3.073 1.00 0.00 C ATOM 1046 OG1 THR B 26 -13.035 1.765 4.458 1.00 0.00 O ATOM 1047 CG2 THR B 26 -14.523 0.771 2.829 1.00 0.00 C ATOM 0 H THR B 26 -10.854 2.225 2.616 1.00 0.00 H new ATOM 0 HA THR B 26 -11.922 -0.320 3.400 1.00 0.00 H new ATOM 0 HB THR B 26 -13.107 2.309 2.453 1.00 0.00 H new ATOM 0 HG1 THR B 26 -12.400 2.505 4.550 1.00 0.00 H new ATOM 0 HG21 THR B 26 -15.311 1.461 3.130 1.00 0.00 H new ATOM 0 HG22 THR B 26 -14.630 0.538 1.770 1.00 0.00 H new ATOM 0 HG23 THR B 26 -14.601 -0.146 3.412 1.00 0.00 H new ATOM 1055 N ARG B 27 -11.966 0.565 0.246 1.00 0.00 N ATOM 1056 CA ARG B 27 -12.045 0.035 -1.108 1.00 0.00 C ATOM 1057 C ARG B 27 -11.189 -1.228 -1.226 1.00 0.00 C ATOM 1058 O ARG B 27 -11.628 -2.253 -1.753 1.00 0.00 O ATOM 1059 CB ARG B 27 -11.587 1.116 -2.102 1.00 0.00 C ATOM 1060 CG ARG B 27 -11.004 0.579 -3.394 1.00 0.00 C ATOM 1061 CD ARG B 27 -12.041 -0.145 -4.242 1.00 0.00 C ATOM 1062 NE ARG B 27 -13.050 0.764 -4.784 1.00 0.00 N ATOM 1063 CZ ARG B 27 -14.098 0.363 -5.504 1.00 0.00 C ATOM 1064 NH1 ARG B 27 -14.291 -0.926 -5.752 1.00 0.00 N ATOM 1065 NH2 ARG B 27 -14.952 1.253 -5.987 1.00 0.00 N ATOM 0 H ARG B 27 -11.661 1.537 0.297 1.00 0.00 H new ATOM 0 HA ARG B 27 -13.074 -0.238 -1.341 1.00 0.00 H new ATOM 0 HB2 ARG B 27 -12.437 1.755 -2.340 1.00 0.00 H new ATOM 0 HB3 ARG B 27 -10.841 1.745 -1.616 1.00 0.00 H new ATOM 0 HG2 ARG B 27 -10.580 1.403 -3.968 1.00 0.00 H new ATOM 0 HG3 ARG B 27 -10.186 -0.104 -3.164 1.00 0.00 H new ATOM 0 HD2 ARG B 27 -11.541 -0.659 -5.063 1.00 0.00 H new ATOM 0 HD3 ARG B 27 -12.531 -0.909 -3.638 1.00 0.00 H new ATOM 0 HE ARG B 27 -12.946 1.762 -4.601 1.00 0.00 H new ATOM 0 HH11 ARG B 27 -13.635 -1.619 -5.391 1.00 0.00 H new ATOM 0 HH12 ARG B 27 -15.095 -1.224 -6.304 1.00 0.00 H new ATOM 0 HH21 ARG B 27 -14.808 2.247 -5.808 1.00 0.00 H new ATOM 0 HH22 ARG B 27 -15.753 0.944 -6.538 1.00 0.00 H new ATOM 1079 N LEU B 28 -9.972 -1.137 -0.721 1.00 0.00 N ATOM 1080 CA LEU B 28 -9.053 -2.268 -0.688 1.00 0.00 C ATOM 1081 C LEU B 28 -9.582 -3.378 0.228 1.00 0.00 C ATOM 1082 O LEU B 28 -9.394 -4.561 -0.050 1.00 0.00 O ATOM 1083 CB LEU B 28 -7.682 -1.770 -0.229 1.00 0.00 C ATOM 1084 CG LEU B 28 -6.510 -2.745 -0.340 1.00 0.00 C ATOM 1085 CD1 LEU B 28 -6.514 -3.703 0.825 1.00 0.00 C ATOM 1086 CD2 LEU B 28 -6.551 -3.494 -1.660 1.00 0.00 C ATOM 0 H LEU B 28 -9.590 -0.280 -0.322 1.00 0.00 H new ATOM 0 HA LEU B 28 -8.963 -2.698 -1.685 1.00 0.00 H new ATOM 0 HB2 LEU B 28 -7.436 -0.879 -0.807 1.00 0.00 H new ATOM 0 HB3 LEU B 28 -7.767 -1.461 0.813 1.00 0.00 H new ATOM 0 HG LEU B 28 -5.582 -2.173 -0.312 1.00 0.00 H new ATOM 0 HD11 LEU B 28 -5.674 -4.391 0.733 1.00 0.00 H new ATOM 0 HD12 LEU B 28 -6.424 -3.144 1.756 1.00 0.00 H new ATOM 0 HD13 LEU B 28 -7.447 -4.267 0.829 1.00 0.00 H new ATOM 0 HD21 LEU B 28 -5.707 -4.181 -1.715 1.00 0.00 H new ATOM 0 HD22 LEU B 28 -7.482 -4.056 -1.730 1.00 0.00 H new ATOM 0 HD23 LEU B 28 -6.494 -2.783 -2.484 1.00 0.00 H new ATOM 1098 N LYS B 29 -10.241 -2.993 1.316 1.00 0.00 N ATOM 1099 CA LYS B 29 -10.876 -3.959 2.215 1.00 0.00 C ATOM 1100 C LYS B 29 -11.879 -4.812 1.442 1.00 0.00 C ATOM 1101 O LYS B 29 -11.980 -6.020 1.654 1.00 0.00 O ATOM 1102 CB LYS B 29 -11.543 -3.220 3.396 1.00 0.00 C ATOM 1103 CG LYS B 29 -12.322 -4.107 4.366 1.00 0.00 C ATOM 1104 CD LYS B 29 -13.735 -4.392 3.876 1.00 0.00 C ATOM 1105 CE LYS B 29 -14.478 -5.330 4.812 1.00 0.00 C ATOM 1106 NZ LYS B 29 -14.635 -4.751 6.170 1.00 0.00 N ATOM 0 H LYS B 29 -10.351 -2.019 1.599 1.00 0.00 H new ATOM 0 HA LYS B 29 -10.120 -4.628 2.626 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -10.771 -2.690 3.954 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -12.220 -2.466 2.995 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -11.790 -5.048 4.502 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -12.368 -3.623 5.341 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -14.285 -3.455 3.788 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -13.692 -4.831 2.879 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -15.461 -5.553 4.397 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -13.939 -6.275 4.881 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -15.288 -5.340 6.725 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -13.709 -4.719 6.643 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -15.018 -3.787 6.094 1.00 0.00 H new ATOM 1120 N VAL B 30 -12.593 -4.176 0.527 1.00 0.00 N ATOM 1121 CA VAL B 30 -13.549 -4.866 -0.329 1.00 0.00 C ATOM 1122 C VAL B 30 -12.832 -5.779 -1.308 1.00 0.00 C ATOM 1123 O VAL B 30 -13.314 -6.854 -1.660 1.00 0.00 O ATOM 1124 CB VAL B 30 -14.416 -3.860 -1.097 1.00 0.00 C ATOM 1125 CG1 VAL B 30 -15.448 -4.567 -1.963 1.00 0.00 C ATOM 1126 CG2 VAL B 30 -15.076 -2.911 -0.118 1.00 0.00 C ATOM 0 H VAL B 30 -12.528 -3.173 0.356 1.00 0.00 H new ATOM 0 HA VAL B 30 -14.193 -5.470 0.309 1.00 0.00 H new ATOM 0 HB VAL B 30 -13.778 -3.286 -1.769 1.00 0.00 H new ATOM 0 HG11 VAL B 30 -16.046 -3.826 -2.494 1.00 0.00 H new ATOM 0 HG12 VAL B 30 -14.940 -5.208 -2.684 1.00 0.00 H new ATOM 0 HG13 VAL B 30 -16.098 -5.174 -1.332 1.00 0.00 H new ATOM 0 HG21 VAL B 30 -15.692 -2.196 -0.663 1.00 0.00 H new ATOM 0 HG22 VAL B 30 -15.702 -3.477 0.572 1.00 0.00 H new ATOM 0 HG23 VAL B 30 -14.310 -2.376 0.443 1.00 0.00 H new ATOM 1136 N TYR B 31 -11.664 -5.348 -1.724 1.00 0.00 N ATOM 1137 CA TYR B 31 -10.823 -6.140 -2.590 1.00 0.00 C ATOM 1138 C TYR B 31 -10.359 -7.391 -1.851 1.00 0.00 C ATOM 1139 O TYR B 31 -10.281 -8.482 -2.429 1.00 0.00 O ATOM 1140 CB TYR B 31 -9.630 -5.304 -3.041 1.00 0.00 C ATOM 1141 CG TYR B 31 -8.647 -6.061 -3.890 1.00 0.00 C ATOM 1142 CD1 TYR B 31 -8.925 -6.350 -5.213 1.00 0.00 C ATOM 1143 CD2 TYR B 31 -7.438 -6.488 -3.364 1.00 0.00 C ATOM 1144 CE1 TYR B 31 -8.029 -7.047 -5.991 1.00 0.00 C ATOM 1145 CE2 TYR B 31 -6.537 -7.186 -4.135 1.00 0.00 C ATOM 1146 CZ TYR B 31 -6.833 -7.465 -5.449 1.00 0.00 C ATOM 1147 OH TYR B 31 -5.932 -8.163 -6.221 1.00 0.00 O ATOM 0 H TYR B 31 -11.271 -4.441 -1.472 1.00 0.00 H new ATOM 0 HA TYR B 31 -11.386 -6.449 -3.471 1.00 0.00 H new ATOM 0 HB2 TYR B 31 -9.993 -4.442 -3.602 1.00 0.00 H new ATOM 0 HB3 TYR B 31 -9.115 -4.918 -2.161 1.00 0.00 H new ATOM 0 HD1 TYR B 31 -9.860 -6.024 -5.643 1.00 0.00 H new ATOM 0 HD2 TYR B 31 -7.199 -6.270 -2.334 1.00 0.00 H new ATOM 0 HE1 TYR B 31 -8.262 -7.266 -7.023 1.00 0.00 H new ATOM 0 HE2 TYR B 31 -5.600 -7.514 -3.710 1.00 0.00 H new ATOM 0 HH TYR B 31 -6.377 -8.485 -7.033 1.00 0.00 H new ATOM 1157 N CYS B 32 -10.080 -7.227 -0.563 1.00 0.00 N ATOM 1158 CA CYS B 32 -9.667 -8.339 0.286 1.00 0.00 C ATOM 1159 C CYS B 32 -10.846 -9.247 0.603 1.00 0.00 C ATOM 1160 O CYS B 32 -10.672 -10.398 0.986 1.00 0.00 O ATOM 1161 CB CYS B 32 -9.048 -7.816 1.579 1.00 0.00 C ATOM 1162 SG CYS B 32 -7.607 -6.768 1.323 1.00 0.00 S ATOM 0 H CYS B 32 -10.133 -6.329 -0.081 1.00 0.00 H new ATOM 0 HA CYS B 32 -8.921 -8.920 -0.256 1.00 0.00 H new ATOM 0 HB2 CYS B 32 -9.802 -7.253 2.130 1.00 0.00 H new ATOM 0 HB3 CYS B 32 -8.763 -8.663 2.203 1.00 0.00 H new ATOM 0 HG CYS B 32 -6.529 -7.436 1.606 1.00 0.00 H new ATOM 1168 N ALA B 33 -12.044 -8.723 0.444 1.00 0.00 N ATOM 1169 CA ALA B 33 -13.245 -9.515 0.618 1.00 0.00 C ATOM 1170 C ALA B 33 -13.545 -10.288 -0.661 1.00 0.00 C ATOM 1171 O ALA B 33 -13.910 -11.460 -0.627 1.00 0.00 O ATOM 1172 CB ALA B 33 -14.406 -8.610 0.995 1.00 0.00 C ATOM 0 H ALA B 33 -12.212 -7.749 0.194 1.00 0.00 H new ATOM 0 HA ALA B 33 -13.095 -10.234 1.423 1.00 0.00 H new ATOM 0 HB1 ALA B 33 -15.307 -9.209 1.125 1.00 0.00 H new ATOM 0 HB2 ALA B 33 -14.177 -8.093 1.927 1.00 0.00 H new ATOM 0 HB3 ALA B 33 -14.568 -7.878 0.204 1.00 0.00 H new ATOM 1178 N LYS B 34 -13.344 -9.622 -1.790 1.00 0.00 N ATOM 1179 CA LYS B 34 -13.621 -10.198 -3.095 1.00 0.00 C ATOM 1180 C LYS B 34 -12.646 -11.316 -3.425 1.00 0.00 C ATOM 1181 O LYS B 34 -13.038 -12.377 -3.912 1.00 0.00 O ATOM 1182 CB LYS B 34 -13.552 -9.101 -4.164 1.00 0.00 C ATOM 1183 CG LYS B 34 -13.859 -9.583 -5.570 1.00 0.00 C ATOM 1184 CD LYS B 34 -13.580 -8.515 -6.629 1.00 0.00 C ATOM 1185 CE LYS B 34 -14.611 -7.387 -6.623 1.00 0.00 C ATOM 1186 NZ LYS B 34 -14.400 -6.416 -5.516 1.00 0.00 N ATOM 0 H LYS B 34 -12.985 -8.668 -1.825 1.00 0.00 H new ATOM 0 HA LYS B 34 -14.623 -10.628 -3.076 1.00 0.00 H new ATOM 0 HB2 LYS B 34 -14.254 -8.309 -3.902 1.00 0.00 H new ATOM 0 HB3 LYS B 34 -12.555 -8.660 -4.153 1.00 0.00 H new ATOM 0 HG2 LYS B 34 -13.261 -10.469 -5.786 1.00 0.00 H new ATOM 0 HG3 LYS B 34 -14.905 -9.883 -5.628 1.00 0.00 H new ATOM 0 HD2 LYS B 34 -12.588 -8.095 -6.461 1.00 0.00 H new ATOM 0 HD3 LYS B 34 -13.566 -8.982 -7.614 1.00 0.00 H new ATOM 0 HE2 LYS B 34 -14.570 -6.859 -7.576 1.00 0.00 H new ATOM 0 HE3 LYS B 34 -15.610 -7.815 -6.539 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 -15.292 -6.281 -4.998 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 -13.675 -6.782 -4.867 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 -14.086 -5.505 -5.908 1.00 0.00 H new ATOM 1200 N ASN B 35 -11.378 -11.082 -3.150 1.00 0.00 N ATOM 1201 CA ASN B 35 -10.349 -12.068 -3.438 1.00 0.00 C ATOM 1202 C ASN B 35 -10.058 -12.895 -2.206 1.00 0.00 C ATOM 1203 O ASN B 35 -9.201 -13.780 -2.226 1.00 0.00 O ATOM 1204 CB ASN B 35 -9.071 -11.379 -3.909 1.00 0.00 C ATOM 1205 CG ASN B 35 -9.246 -10.685 -5.241 1.00 0.00 C ATOM 1206 OD1 ASN B 35 -8.992 -11.263 -6.295 1.00 0.00 O ATOM 1207 ND2 ASN B 35 -9.691 -9.442 -5.203 1.00 0.00 N ATOM 0 H ASN B 35 -11.033 -10.220 -2.728 1.00 0.00 H new ATOM 0 HA ASN B 35 -10.711 -12.723 -4.230 1.00 0.00 H new ATOM 0 HB2 ASN B 35 -8.758 -10.650 -3.161 1.00 0.00 H new ATOM 0 HB3 ASN B 35 -8.272 -12.117 -3.989 1.00 0.00 H new ATOM 0 HD21 ASN B 35 -9.836 -8.925 -6.071 1.00 0.00 H new ATOM 0 HD22 ASN B 35 -9.890 -8.999 -4.306 1.00 0.00 H new ATOM 1214 N ASN B 36 -10.784 -12.596 -1.132 1.00 0.00 N ATOM 1215 CA ASN B 36 -10.538 -13.219 0.170 1.00 0.00 C ATOM 1216 C ASN B 36 -9.083 -13.031 0.619 1.00 0.00 C ATOM 1217 O ASN B 36 -8.562 -13.808 1.417 1.00 0.00 O ATOM 1218 CB ASN B 36 -10.887 -14.705 0.119 1.00 0.00 C ATOM 1219 CG ASN B 36 -12.378 -14.956 0.169 1.00 0.00 C ATOM 1220 OD1 ASN B 36 -13.126 -14.221 0.812 1.00 0.00 O ATOM 1221 ND2 ASN B 36 -12.825 -15.991 -0.520 1.00 0.00 N ATOM 0 H ASN B 36 -11.551 -11.924 -1.136 1.00 0.00 H new ATOM 0 HA ASN B 36 -11.178 -12.726 0.901 1.00 0.00 H new ATOM 0 HB2 ASN B 36 -10.480 -15.139 -0.795 1.00 0.00 H new ATOM 0 HB3 ASN B 36 -10.408 -15.215 0.955 1.00 0.00 H new ATOM 0 HD21 ASN B 36 -13.822 -16.204 -0.531 1.00 0.00 H new ATOM 0 HD22 ASN B 36 -12.173 -16.577 -1.041 1.00 0.00 H new ATOM 1228 N LEU B 37 -8.434 -11.994 0.092 1.00 0.00 N ATOM 1229 CA LEU B 37 -7.071 -11.663 0.460 1.00 0.00 C ATOM 1230 C LEU B 37 -6.985 -11.147 1.885 1.00 0.00 C ATOM 1231 O LEU B 37 -7.986 -10.770 2.491 1.00 0.00 O ATOM 1232 CB LEU B 37 -6.517 -10.592 -0.482 1.00 0.00 C ATOM 1233 CG LEU B 37 -5.505 -11.080 -1.516 1.00 0.00 C ATOM 1234 CD1 LEU B 37 -6.098 -12.183 -2.375 1.00 0.00 C ATOM 1235 CD2 LEU B 37 -5.034 -9.918 -2.378 1.00 0.00 C ATOM 0 H LEU B 37 -8.842 -11.365 -0.600 1.00 0.00 H new ATOM 0 HA LEU B 37 -6.483 -12.578 0.382 1.00 0.00 H new ATOM 0 HB2 LEU B 37 -7.352 -10.130 -1.008 1.00 0.00 H new ATOM 0 HB3 LEU B 37 -6.048 -9.813 0.119 1.00 0.00 H new ATOM 0 HG LEU B 37 -4.645 -11.493 -0.990 1.00 0.00 H new ATOM 0 HD11 LEU B 37 -5.358 -12.514 -3.104 1.00 0.00 H new ATOM 0 HD12 LEU B 37 -6.385 -13.023 -1.742 1.00 0.00 H new ATOM 0 HD13 LEU B 37 -6.977 -11.805 -2.897 1.00 0.00 H new ATOM 0 HD21 LEU B 37 -4.313 -10.278 -3.112 1.00 0.00 H new ATOM 0 HD22 LEU B 37 -5.888 -9.478 -2.894 1.00 0.00 H new ATOM 0 HD23 LEU B 37 -4.564 -9.164 -1.747 1.00 0.00 H new ATOM 1247 N GLN B 38 -5.775 -11.139 2.409 1.00 0.00 N ATOM 1248 CA GLN B 38 -5.513 -10.518 3.687 1.00 0.00 C ATOM 1249 C GLN B 38 -5.221 -9.049 3.465 1.00 0.00 C ATOM 1250 O GLN B 38 -4.510 -8.709 2.519 1.00 0.00 O ATOM 1251 CB GLN B 38 -4.328 -11.178 4.387 1.00 0.00 C ATOM 1252 CG GLN B 38 -4.565 -12.630 4.743 1.00 0.00 C ATOM 1253 CD GLN B 38 -3.344 -13.279 5.365 1.00 0.00 C ATOM 1254 OE1 GLN B 38 -3.160 -13.251 6.582 1.00 0.00 O ATOM 1255 NE2 GLN B 38 -2.503 -13.867 4.530 1.00 0.00 N ATOM 0 H GLN B 38 -4.957 -11.558 1.966 1.00 0.00 H new ATOM 0 HA GLN B 38 -6.389 -10.638 4.324 1.00 0.00 H new ATOM 0 HB2 GLN B 38 -3.452 -11.109 3.742 1.00 0.00 H new ATOM 0 HB3 GLN B 38 -4.099 -10.623 5.296 1.00 0.00 H new ATOM 0 HG2 GLN B 38 -5.403 -12.699 5.437 1.00 0.00 H new ATOM 0 HG3 GLN B 38 -4.848 -13.180 3.845 1.00 0.00 H new ATOM 0 HE21 GLN B 38 -2.695 -13.866 3.528 1.00 0.00 H new ATOM 0 HE22 GLN B 38 -1.663 -14.321 4.888 1.00 0.00 H new ATOM 1264 N LEU B 39 -5.786 -8.195 4.301 1.00 0.00 N ATOM 1265 CA LEU B 39 -5.574 -6.751 4.193 1.00 0.00 C ATOM 1266 C LEU B 39 -4.096 -6.430 3.983 1.00 0.00 C ATOM 1267 O LEU B 39 -3.735 -5.667 3.085 1.00 0.00 O ATOM 1268 CB LEU B 39 -6.090 -6.036 5.445 1.00 0.00 C ATOM 1269 CG LEU B 39 -7.167 -4.968 5.197 1.00 0.00 C ATOM 1270 CD1 LEU B 39 -6.714 -3.982 4.135 1.00 0.00 C ATOM 1271 CD2 LEU B 39 -8.485 -5.614 4.797 1.00 0.00 C ATOM 0 H LEU B 39 -6.399 -8.473 5.068 1.00 0.00 H new ATOM 0 HA LEU B 39 -6.132 -6.395 3.327 1.00 0.00 H new ATOM 0 HB2 LEU B 39 -6.493 -6.783 6.129 1.00 0.00 H new ATOM 0 HB3 LEU B 39 -5.245 -5.566 5.949 1.00 0.00 H new ATOM 0 HG LEU B 39 -7.321 -4.422 6.128 1.00 0.00 H new ATOM 0 HD11 LEU B 39 -7.492 -3.235 3.976 1.00 0.00 H new ATOM 0 HD12 LEU B 39 -5.799 -3.489 4.463 1.00 0.00 H new ATOM 0 HD13 LEU B 39 -6.525 -4.513 3.202 1.00 0.00 H new ATOM 0 HD21 LEU B 39 -9.233 -4.840 4.626 1.00 0.00 H new ATOM 0 HD22 LEU B 39 -8.345 -6.191 3.883 1.00 0.00 H new ATOM 0 HD23 LEU B 39 -8.823 -6.275 5.595 1.00 0.00 H new ATOM 1283 N THR B 40 -3.246 -7.050 4.790 1.00 0.00 N ATOM 1284 CA THR B 40 -1.815 -6.825 4.708 1.00 0.00 C ATOM 1285 C THR B 40 -1.256 -7.257 3.356 1.00 0.00 C ATOM 1286 O THR B 40 -0.531 -6.500 2.709 1.00 0.00 O ATOM 1287 CB THR B 40 -1.074 -7.584 5.820 1.00 0.00 C ATOM 1288 OG1 THR B 40 -1.732 -7.373 7.076 1.00 0.00 O ATOM 1289 CG2 THR B 40 0.373 -7.128 5.918 1.00 0.00 C ATOM 0 H THR B 40 -3.527 -7.715 5.511 1.00 0.00 H new ATOM 0 HA THR B 40 -1.657 -5.753 4.830 1.00 0.00 H new ATOM 0 HB THR B 40 -1.086 -8.646 5.575 1.00 0.00 H new ATOM 0 HG1 THR B 40 -1.256 -7.861 7.781 1.00 0.00 H new ATOM 0 HG21 THR B 40 0.875 -7.680 6.712 1.00 0.00 H new ATOM 0 HG22 THR B 40 0.878 -7.315 4.970 1.00 0.00 H new ATOM 0 HG23 THR B 40 0.404 -6.062 6.142 1.00 0.00 H new ATOM 1297 N GLN B 41 -1.605 -8.467 2.933 1.00 0.00 N ATOM 1298 CA GLN B 41 -1.132 -9.002 1.663 1.00 0.00 C ATOM 1299 C GLN B 41 -1.520 -8.076 0.514 1.00 0.00 C ATOM 1300 O GLN B 41 -0.758 -7.888 -0.436 1.00 0.00 O ATOM 1301 CB GLN B 41 -1.716 -10.398 1.447 1.00 0.00 C ATOM 1302 CG GLN B 41 -1.054 -11.190 0.330 1.00 0.00 C ATOM 1303 CD GLN B 41 -1.953 -11.403 -0.868 1.00 0.00 C ATOM 1304 OE1 GLN B 41 -1.934 -10.625 -1.820 1.00 0.00 O ATOM 1305 NE2 GLN B 41 -2.758 -12.454 -0.824 1.00 0.00 N ATOM 0 H GLN B 41 -2.216 -9.097 3.453 1.00 0.00 H new ATOM 0 HA GLN B 41 -0.044 -9.071 1.689 1.00 0.00 H new ATOM 0 HB2 GLN B 41 -1.631 -10.962 2.376 1.00 0.00 H new ATOM 0 HB3 GLN B 41 -2.780 -10.304 1.228 1.00 0.00 H new ATOM 0 HG2 GLN B 41 -0.152 -10.669 0.010 1.00 0.00 H new ATOM 0 HG3 GLN B 41 -0.741 -12.160 0.718 1.00 0.00 H new ATOM 0 HE21 GLN B 41 -2.742 -13.075 -0.015 1.00 0.00 H new ATOM 0 HE22 GLN B 41 -3.394 -12.642 -1.599 1.00 0.00 H new ATOM 1314 N ALA B 42 -2.698 -7.482 0.627 1.00 0.00 N ATOM 1315 CA ALA B 42 -3.190 -6.552 -0.373 1.00 0.00 C ATOM 1316 C ALA B 42 -2.378 -5.268 -0.363 1.00 0.00 C ATOM 1317 O ALA B 42 -1.988 -4.775 -1.416 1.00 0.00 O ATOM 1318 CB ALA B 42 -4.648 -6.248 -0.131 1.00 0.00 C ATOM 0 H ALA B 42 -3.335 -7.631 1.410 1.00 0.00 H new ATOM 0 HA ALA B 42 -3.084 -7.017 -1.353 1.00 0.00 H new ATOM 0 HB1 ALA B 42 -5.005 -5.549 -0.888 1.00 0.00 H new ATOM 0 HB2 ALA B 42 -5.226 -7.170 -0.187 1.00 0.00 H new ATOM 0 HB3 ALA B 42 -4.768 -5.804 0.857 1.00 0.00 H new ATOM 1324 N ILE B 43 -2.129 -4.725 0.827 1.00 0.00 N ATOM 1325 CA ILE B 43 -1.283 -3.544 0.963 1.00 0.00 C ATOM 1326 C ILE B 43 0.092 -3.802 0.365 1.00 0.00 C ATOM 1327 O ILE B 43 0.619 -2.972 -0.363 1.00 0.00 O ATOM 1328 CB ILE B 43 -1.117 -3.109 2.443 1.00 0.00 C ATOM 1329 CG1 ILE B 43 -2.169 -2.064 2.829 1.00 0.00 C ATOM 1330 CG2 ILE B 43 0.285 -2.573 2.696 1.00 0.00 C ATOM 1331 CD1 ILE B 43 -3.588 -2.581 2.802 1.00 0.00 C ATOM 0 H ILE B 43 -2.500 -5.083 1.707 1.00 0.00 H new ATOM 0 HA ILE B 43 -1.780 -2.738 0.423 1.00 0.00 H new ATOM 0 HB ILE B 43 -1.266 -3.989 3.069 1.00 0.00 H new ATOM 0 HG12 ILE B 43 -1.947 -1.693 3.830 1.00 0.00 H new ATOM 0 HG13 ILE B 43 -2.089 -1.215 2.150 1.00 0.00 H new ATOM 0 HG21 ILE B 43 0.377 -2.274 3.740 1.00 0.00 H new ATOM 0 HG22 ILE B 43 1.017 -3.350 2.475 1.00 0.00 H new ATOM 0 HG23 ILE B 43 0.466 -1.710 2.055 1.00 0.00 H new ATOM 0 HD11 ILE B 43 -4.272 -1.782 3.087 1.00 0.00 H new ATOM 0 HD12 ILE B 43 -3.831 -2.925 1.797 1.00 0.00 H new ATOM 0 HD13 ILE B 43 -3.687 -3.410 3.503 1.00 0.00 H new ATOM 1343 N GLU B 44 0.659 -4.952 0.681 1.00 0.00 N ATOM 1344 CA GLU B 44 1.986 -5.306 0.202 1.00 0.00 C ATOM 1345 C GLU B 44 2.011 -5.413 -1.317 1.00 0.00 C ATOM 1346 O GLU B 44 2.903 -4.875 -1.960 1.00 0.00 O ATOM 1347 CB GLU B 44 2.452 -6.606 0.841 1.00 0.00 C ATOM 1348 CG GLU B 44 2.620 -6.509 2.348 1.00 0.00 C ATOM 1349 CD GLU B 44 3.209 -7.765 2.946 1.00 0.00 C ATOM 1350 OE1 GLU B 44 4.449 -7.881 2.973 1.00 0.00 O ATOM 1351 OE2 GLU B 44 2.438 -8.647 3.381 1.00 0.00 O ATOM 0 H GLU B 44 0.221 -5.660 1.270 1.00 0.00 H new ATOM 0 HA GLU B 44 2.674 -4.511 0.491 1.00 0.00 H new ATOM 0 HB2 GLU B 44 1.733 -7.393 0.613 1.00 0.00 H new ATOM 0 HB3 GLU B 44 3.401 -6.902 0.395 1.00 0.00 H new ATOM 0 HG2 GLU B 44 3.263 -5.661 2.585 1.00 0.00 H new ATOM 0 HG3 GLU B 44 1.651 -6.312 2.807 1.00 0.00 H new ATOM 1358 N GLU B 45 1.034 -6.104 -1.884 1.00 0.00 N ATOM 1359 CA GLU B 45 0.858 -6.138 -3.331 1.00 0.00 C ATOM 1360 C GLU B 45 0.639 -4.736 -3.872 1.00 0.00 C ATOM 1361 O GLU B 45 1.111 -4.399 -4.957 1.00 0.00 O ATOM 1362 CB GLU B 45 -0.335 -7.016 -3.697 1.00 0.00 C ATOM 1363 CG GLU B 45 -0.017 -8.492 -3.728 1.00 0.00 C ATOM 1364 CD GLU B 45 0.749 -8.889 -4.975 1.00 0.00 C ATOM 1365 OE1 GLU B 45 1.996 -8.834 -4.959 1.00 0.00 O ATOM 1366 OE2 GLU B 45 0.103 -9.262 -5.978 1.00 0.00 O ATOM 0 H GLU B 45 0.348 -6.651 -1.364 1.00 0.00 H new ATOM 0 HA GLU B 45 1.762 -6.554 -3.776 1.00 0.00 H new ATOM 0 HB2 GLU B 45 -1.137 -6.841 -2.980 1.00 0.00 H new ATOM 0 HB3 GLU B 45 -0.711 -6.714 -4.675 1.00 0.00 H new ATOM 0 HG2 GLU B 45 0.568 -8.754 -2.846 1.00 0.00 H new ATOM 0 HG3 GLU B 45 -0.944 -9.062 -3.677 1.00 0.00 H new ATOM 1373 N ALA B 46 -0.077 -3.926 -3.104 1.00 0.00 N ATOM 1374 CA ALA B 46 -0.363 -2.560 -3.496 1.00 0.00 C ATOM 1375 C ALA B 46 0.917 -1.759 -3.594 1.00 0.00 C ATOM 1376 O ALA B 46 1.235 -1.200 -4.638 1.00 0.00 O ATOM 1377 CB ALA B 46 -1.318 -1.905 -2.508 1.00 0.00 C ATOM 0 H ALA B 46 -0.470 -4.197 -2.203 1.00 0.00 H new ATOM 0 HA ALA B 46 -0.840 -2.580 -4.476 1.00 0.00 H new ATOM 0 HB1 ALA B 46 -1.519 -0.881 -2.821 1.00 0.00 H new ATOM 0 HB2 ALA B 46 -2.252 -2.466 -2.479 1.00 0.00 H new ATOM 0 HB3 ALA B 46 -0.867 -1.899 -1.516 1.00 0.00 H new ATOM 1383 N ILE B 47 1.651 -1.732 -2.496 1.00 0.00 N ATOM 1384 CA ILE B 47 2.878 -0.987 -2.405 1.00 0.00 C ATOM 1385 C ILE B 47 3.963 -1.589 -3.303 1.00 0.00 C ATOM 1386 O ILE B 47 4.845 -0.880 -3.793 1.00 0.00 O ATOM 1387 CB ILE B 47 3.331 -0.915 -0.934 1.00 0.00 C ATOM 1388 CG1 ILE B 47 4.561 -0.036 -0.780 1.00 0.00 C ATOM 1389 CG2 ILE B 47 3.592 -2.301 -0.375 1.00 0.00 C ATOM 1390 CD1 ILE B 47 4.884 0.269 0.662 1.00 0.00 C ATOM 0 H ILE B 47 1.405 -2.232 -1.642 1.00 0.00 H new ATOM 0 HA ILE B 47 2.703 0.027 -2.763 1.00 0.00 H new ATOM 0 HB ILE B 47 2.520 -0.464 -0.362 1.00 0.00 H new ATOM 0 HG12 ILE B 47 5.415 -0.530 -1.242 1.00 0.00 H new ATOM 0 HG13 ILE B 47 4.404 0.899 -1.318 1.00 0.00 H new ATOM 0 HG21 ILE B 47 3.910 -2.220 0.664 1.00 0.00 H new ATOM 0 HG22 ILE B 47 2.679 -2.893 -0.430 1.00 0.00 H new ATOM 0 HG23 ILE B 47 4.375 -2.787 -0.957 1.00 0.00 H new ATOM 0 HD11 ILE B 47 5.772 0.900 0.710 1.00 0.00 H new ATOM 0 HD12 ILE B 47 4.043 0.789 1.121 1.00 0.00 H new ATOM 0 HD13 ILE B 47 5.071 -0.662 1.198 1.00 0.00 H new ATOM 1402 N LYS B 48 3.878 -2.891 -3.543 1.00 0.00 N ATOM 1403 CA LYS B 48 4.804 -3.564 -4.439 1.00 0.00 C ATOM 1404 C LYS B 48 4.550 -3.142 -5.883 1.00 0.00 C ATOM 1405 O LYS B 48 5.434 -2.590 -6.541 1.00 0.00 O ATOM 1406 CB LYS B 48 4.665 -5.083 -4.298 1.00 0.00 C ATOM 1407 CG LYS B 48 5.454 -5.880 -5.331 1.00 0.00 C ATOM 1408 CD LYS B 48 6.605 -6.656 -4.711 1.00 0.00 C ATOM 1409 CE LYS B 48 7.671 -5.734 -4.145 1.00 0.00 C ATOM 1410 NZ LYS B 48 8.770 -6.498 -3.501 1.00 0.00 N ATOM 0 H LYS B 48 3.175 -3.502 -3.128 1.00 0.00 H new ATOM 0 HA LYS B 48 5.820 -3.278 -4.168 1.00 0.00 H new ATOM 0 HB2 LYS B 48 4.994 -5.376 -3.301 1.00 0.00 H new ATOM 0 HB3 LYS B 48 3.611 -5.349 -4.377 1.00 0.00 H new ATOM 0 HG2 LYS B 48 4.784 -6.574 -5.839 1.00 0.00 H new ATOM 0 HG3 LYS B 48 5.844 -5.201 -6.089 1.00 0.00 H new ATOM 0 HD2 LYS B 48 6.223 -7.299 -3.918 1.00 0.00 H new ATOM 0 HD3 LYS B 48 7.050 -7.307 -5.463 1.00 0.00 H new ATOM 0 HE2 LYS B 48 8.078 -5.114 -4.944 1.00 0.00 H new ATOM 0 HE3 LYS B 48 7.220 -5.060 -3.416 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 9.479 -5.836 -3.126 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 8.385 -7.071 -2.723 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 9.216 -7.123 -4.203 1.00 0.00 H new ATOM 1424 N GLU B 49 3.332 -3.386 -6.369 1.00 0.00 N ATOM 1425 CA GLU B 49 2.951 -2.991 -7.712 1.00 0.00 C ATOM 1426 C GLU B 49 2.996 -1.485 -7.897 1.00 0.00 C ATOM 1427 O GLU B 49 2.955 -0.988 -9.022 1.00 0.00 O ATOM 1428 CB GLU B 49 1.576 -3.515 -8.037 1.00 0.00 C ATOM 1429 CG GLU B 49 1.604 -4.995 -8.340 1.00 0.00 C ATOM 1430 CD GLU B 49 2.856 -5.409 -9.080 1.00 0.00 C ATOM 1431 OE1 GLU B 49 3.094 -4.875 -10.183 1.00 0.00 O ATOM 1432 OE2 GLU B 49 3.605 -6.264 -8.561 1.00 0.00 O ATOM 0 H GLU B 49 2.595 -3.858 -5.845 1.00 0.00 H new ATOM 0 HA GLU B 49 3.676 -3.426 -8.400 1.00 0.00 H new ATOM 0 HB2 GLU B 49 0.906 -3.327 -7.198 1.00 0.00 H new ATOM 0 HB3 GLU B 49 1.173 -2.975 -8.894 1.00 0.00 H new ATOM 0 HG2 GLU B 49 1.534 -5.555 -7.408 1.00 0.00 H new ATOM 0 HG3 GLU B 49 0.730 -5.258 -8.936 1.00 0.00 H new ATOM 1439 N TYR B 50 3.077 -0.775 -6.789 1.00 0.00 N ATOM 1440 CA TYR B 50 3.143 0.662 -6.794 1.00 0.00 C ATOM 1441 C TYR B 50 4.504 1.131 -7.257 1.00 0.00 C ATOM 1442 O TYR B 50 4.611 1.914 -8.198 1.00 0.00 O ATOM 1443 CB TYR B 50 2.862 1.192 -5.400 1.00 0.00 C ATOM 1444 CG TYR B 50 3.011 2.679 -5.275 1.00 0.00 C ATOM 1445 CD1 TYR B 50 2.190 3.521 -5.991 1.00 0.00 C ATOM 1446 CD2 TYR B 50 3.954 3.230 -4.428 1.00 0.00 C ATOM 1447 CE1 TYR B 50 2.299 4.890 -5.878 1.00 0.00 C ATOM 1448 CE2 TYR B 50 4.078 4.602 -4.301 1.00 0.00 C ATOM 1449 CZ TYR B 50 3.245 5.430 -5.030 1.00 0.00 C ATOM 1450 OH TYR B 50 3.358 6.798 -4.914 1.00 0.00 O ATOM 0 H TYR B 50 3.099 -1.188 -5.856 1.00 0.00 H new ATOM 0 HA TYR B 50 2.392 1.043 -7.486 1.00 0.00 H new ATOM 0 HB2 TYR B 50 1.848 0.913 -5.113 1.00 0.00 H new ATOM 0 HB3 TYR B 50 3.538 0.708 -4.695 1.00 0.00 H new ATOM 0 HD1 TYR B 50 1.447 3.101 -6.653 1.00 0.00 H new ATOM 0 HD2 TYR B 50 4.602 2.581 -3.858 1.00 0.00 H new ATOM 0 HE1 TYR B 50 1.649 5.536 -6.449 1.00 0.00 H new ATOM 0 HE2 TYR B 50 4.819 5.023 -3.638 1.00 0.00 H new ATOM 0 HH TYR B 50 4.301 7.055 -4.984 1.00 0.00 H new ATOM 1460 N LEU B 51 5.540 0.638 -6.596 1.00 0.00 N ATOM 1461 CA LEU B 51 6.904 0.991 -6.947 1.00 0.00 C ATOM 1462 C LEU B 51 7.199 0.653 -8.395 1.00 0.00 C ATOM 1463 O LEU B 51 7.875 1.404 -9.088 1.00 0.00 O ATOM 1464 CB LEU B 51 7.905 0.284 -6.035 1.00 0.00 C ATOM 1465 CG LEU B 51 8.278 1.029 -4.750 1.00 0.00 C ATOM 1466 CD1 LEU B 51 7.862 2.491 -4.822 1.00 0.00 C ATOM 1467 CD2 LEU B 51 7.668 0.338 -3.536 1.00 0.00 C ATOM 0 H LEU B 51 5.460 -0.009 -5.812 1.00 0.00 H new ATOM 0 HA LEU B 51 7.008 2.068 -6.812 1.00 0.00 H new ATOM 0 HB2 LEU B 51 7.496 -0.689 -5.763 1.00 0.00 H new ATOM 0 HB3 LEU B 51 8.817 0.098 -6.603 1.00 0.00 H new ATOM 0 HG LEU B 51 9.363 1.004 -4.644 1.00 0.00 H new ATOM 0 HD11 LEU B 51 8.140 2.994 -3.896 1.00 0.00 H new ATOM 0 HD12 LEU B 51 8.365 2.972 -5.661 1.00 0.00 H new ATOM 0 HD13 LEU B 51 6.783 2.556 -4.961 1.00 0.00 H new ATOM 0 HD21 LEU B 51 7.943 0.881 -2.632 1.00 0.00 H new ATOM 0 HD22 LEU B 51 6.582 0.322 -3.633 1.00 0.00 H new ATOM 0 HD23 LEU B 51 8.041 -0.684 -3.473 1.00 0.00 H new ATOM 1479 N GLN B 52 6.662 -0.461 -8.858 1.00 0.00 N ATOM 1480 CA GLN B 52 6.900 -0.890 -10.229 1.00 0.00 C ATOM 1481 C GLN B 52 6.025 -0.121 -11.215 1.00 0.00 C ATOM 1482 O GLN B 52 6.384 0.038 -12.384 1.00 0.00 O ATOM 1483 CB GLN B 52 6.674 -2.395 -10.381 1.00 0.00 C ATOM 1484 CG GLN B 52 7.884 -3.240 -10.005 1.00 0.00 C ATOM 1485 CD GLN B 52 8.255 -3.144 -8.538 1.00 0.00 C ATOM 1486 OE1 GLN B 52 9.027 -2.279 -8.133 1.00 0.00 O ATOM 1487 NE2 GLN B 52 7.721 -4.045 -7.733 1.00 0.00 N ATOM 0 H GLN B 52 6.063 -1.082 -8.313 1.00 0.00 H new ATOM 0 HA GLN B 52 7.943 -0.671 -10.460 1.00 0.00 H new ATOM 0 HB2 GLN B 52 5.829 -2.691 -9.759 1.00 0.00 H new ATOM 0 HB3 GLN B 52 6.400 -2.609 -11.414 1.00 0.00 H new ATOM 0 HG2 GLN B 52 7.681 -4.282 -10.253 1.00 0.00 H new ATOM 0 HG3 GLN B 52 8.737 -2.929 -10.609 1.00 0.00 H new ATOM 0 HE21 GLN B 52 7.084 -4.748 -8.106 1.00 0.00 H new ATOM 0 HE22 GLN B 52 7.946 -4.037 -6.738 1.00 0.00 H new ATOM 1496 N LYS B 53 4.881 0.351 -10.742 1.00 0.00 N ATOM 1497 CA LYS B 53 3.997 1.185 -11.553 1.00 0.00 C ATOM 1498 C LYS B 53 4.547 2.599 -11.644 1.00 0.00 C ATOM 1499 O LYS B 53 4.177 3.375 -12.527 1.00 0.00 O ATOM 1500 CB LYS B 53 2.596 1.229 -10.944 1.00 0.00 C ATOM 1501 CG LYS B 53 1.565 1.921 -11.821 1.00 0.00 C ATOM 1502 CD LYS B 53 0.200 1.975 -11.151 1.00 0.00 C ATOM 1503 CE LYS B 53 -0.828 2.653 -12.044 1.00 0.00 C ATOM 1504 NZ LYS B 53 -2.177 2.695 -11.418 1.00 0.00 N ATOM 0 H LYS B 53 4.540 0.172 -9.798 1.00 0.00 H new ATOM 0 HA LYS B 53 3.941 0.751 -12.551 1.00 0.00 H new ATOM 0 HB2 LYS B 53 2.265 0.210 -10.746 1.00 0.00 H new ATOM 0 HB3 LYS B 53 2.644 1.741 -9.983 1.00 0.00 H new ATOM 0 HG2 LYS B 53 1.900 2.934 -12.046 1.00 0.00 H new ATOM 0 HG3 LYS B 53 1.483 1.394 -12.771 1.00 0.00 H new ATOM 0 HD2 LYS B 53 -0.131 0.964 -10.914 1.00 0.00 H new ATOM 0 HD3 LYS B 53 0.277 2.515 -10.207 1.00 0.00 H new ATOM 0 HE2 LYS B 53 -0.501 3.669 -12.265 1.00 0.00 H new ATOM 0 HE3 LYS B 53 -0.887 2.123 -12.994 1.00 0.00 H new ATOM 0 HZ1 LYS B 53 -2.894 2.419 -12.119 1.00 0.00 H new ATOM 0 HZ2 LYS B 53 -2.207 2.036 -10.614 1.00 0.00 H new ATOM 0 HZ3 LYS B 53 -2.374 3.659 -11.083 1.00 0.00 H new ATOM 1518 N ARG B 54 5.438 2.924 -10.728 1.00 0.00 N ATOM 1519 CA ARG B 54 5.927 4.272 -10.603 1.00 0.00 C ATOM 1520 C ARG B 54 7.374 4.368 -11.077 1.00 0.00 C ATOM 1521 O ARG B 54 7.648 4.922 -12.141 1.00 0.00 O ATOM 1522 CB ARG B 54 5.816 4.704 -9.146 1.00 0.00 C ATOM 1523 CG ARG B 54 5.523 6.185 -8.958 1.00 0.00 C ATOM 1524 CD ARG B 54 4.024 6.459 -8.981 1.00 0.00 C ATOM 1525 NE ARG B 54 3.675 7.737 -8.351 1.00 0.00 N ATOM 1526 CZ ARG B 54 2.448 8.046 -7.916 1.00 0.00 C ATOM 1527 NH1 ARG B 54 1.427 7.227 -8.141 1.00 0.00 N ATOM 1528 NH2 ARG B 54 2.235 9.192 -7.286 1.00 0.00 N ATOM 0 H ARG B 54 5.836 2.265 -10.059 1.00 0.00 H new ATOM 0 HA ARG B 54 5.327 4.933 -11.229 1.00 0.00 H new ATOM 0 HB2 ARG B 54 5.028 4.125 -8.666 1.00 0.00 H new ATOM 0 HB3 ARG B 54 6.747 4.461 -8.634 1.00 0.00 H new ATOM 0 HG2 ARG B 54 5.942 6.524 -8.011 1.00 0.00 H new ATOM 0 HG3 ARG B 54 6.012 6.758 -9.746 1.00 0.00 H new ATOM 0 HD2 ARG B 54 3.674 6.459 -10.013 1.00 0.00 H new ATOM 0 HD3 ARG B 54 3.503 5.651 -8.468 1.00 0.00 H new ATOM 0 HE ARG B 54 4.413 8.432 -8.238 1.00 0.00 H new ATOM 0 HH11 ARG B 54 1.575 6.355 -8.649 1.00 0.00 H new ATOM 0 HH12 ARG B 54 0.495 7.470 -7.806 1.00 0.00 H new ATOM 0 HH21 ARG B 54 3.007 9.840 -7.132 1.00 0.00 H new ATOM 0 HH22 ARG B 54 1.299 9.426 -6.955 1.00 0.00 H new ATOM 1542 N ASN B 55 8.290 3.802 -10.293 1.00 0.00 N ATOM 1543 CA ASN B 55 9.724 3.866 -10.580 1.00 0.00 C ATOM 1544 C ASN B 55 10.543 3.119 -9.523 1.00 0.00 C ATOM 1545 O ASN B 55 11.217 2.139 -9.834 1.00 0.00 O ATOM 1546 CB ASN B 55 10.228 5.321 -10.708 1.00 0.00 C ATOM 1547 CG ASN B 55 9.642 6.289 -9.685 1.00 0.00 C ATOM 1548 OD1 ASN B 55 9.280 5.912 -8.572 1.00 0.00 O ATOM 1549 ND2 ASN B 55 9.547 7.555 -10.066 1.00 0.00 N ATOM 0 H ASN B 55 8.061 3.287 -9.443 1.00 0.00 H new ATOM 0 HA ASN B 55 9.866 3.374 -11.542 1.00 0.00 H new ATOM 0 HB2 ASN B 55 11.314 5.325 -10.612 1.00 0.00 H new ATOM 0 HB3 ASN B 55 9.995 5.686 -11.708 1.00 0.00 H new ATOM 0 HD21 ASN B 55 9.164 8.252 -9.428 1.00 0.00 H new ATOM 0 HD22 ASN B 55 9.857 7.832 -10.997 1.00 0.00 H new ATOM 1556 N GLY B 56 10.468 3.570 -8.278 1.00 0.00 N ATOM 1557 CA GLY B 56 11.265 2.983 -7.224 1.00 0.00 C ATOM 1558 C GLY B 56 12.504 3.800 -6.928 1.00 0.00 C ATOM 1559 O GLY B 56 13.562 3.526 -7.533 1.00 0.00 O ATOM 1560 OXT GLY B 56 12.421 4.724 -6.090 1.00 0.00 O ATOM 0 H GLY B 56 9.865 4.337 -7.980 1.00 0.00 H new ATOM 0 HA2 GLY B 56 10.663 2.897 -6.319 1.00 0.00 H new ATOM 0 HA3 GLY B 56 11.557 1.973 -7.510 1.00 0.00 H new TER 1564 GLY B 56