USER MOD reduce.3.24.130724 H: found=0, std=0, add=644, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 641 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 83 GLN : amide:sc= -0.055 X(o=-0.044,f=-0.033) USER MOD Set 1.2: A 84 HIS : no HD1:sc= 0.0109 X(o=-0.044,f=-0.12) USER MOD Set 2.1: A 31 TYR OH : rot 70:sc= -1.12 USER MOD Set 2.2: A 39 HIS : no HD1:sc= -2.66 K(o=-3.8,f=-4.7) USER MOD Set 3.1: A 36 GLN : amide:sc= -14! C(o=-18!,f=-20!) USER MOD Set 3.2: A 46 THR OG1 : rot 160:sc= -4.06! USER MOD Single : A 1 GLY N :NH3+ -137:sc=-0.00606 (180deg=-0.498) USER MOD Single : A 5 SER OG : rot 180:sc= -1.01 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -0.727 K(o=-0.73,f=-0.045) USER MOD Single : A 17 SER OG : rot 170:sc= 0 USER MOD Single : A 21 THR OG1 : rot -160:sc= -0.968 USER MOD Single : A 22 GLN : amide:sc= -25.8! C(o=-26!,f=-17!) USER MOD Single : A 24 MET CE :methyl -155:sc= -1.85 (180deg=-3.72!) USER MOD Single : A 25 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= -0.0827 K(o=-0.083,f=-2) USER MOD Single : A 41 GLN : amide:sc= -0.109 X(o=-0.11,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 MET CE :methyl -143:sc= -0.637 (180deg=-3.83!) USER MOD Single : A 52 MET CE :methyl -118:sc= -0.145 (180deg=-2.54!) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 HIS : no HD1:sc= -0.401 K(o=-0.4,f=-3.5!) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 143:sc= -0.27 (180deg=-1.18) USER MOD Single : A 75 MET CE :methyl -147:sc= -0.68 (180deg=-1.89!) USER MOD Single : A 80 SER OG : rot -33:sc= 0.211 USER MOD Single : A 82 GLN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 85 THR OG1 : rot 180:sc= -0.106 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 24.153 13.275 5.925 1.00 0.00 N ATOM 2 CA GLY A 1 22.902 13.443 5.134 1.00 0.00 C ATOM 3 C GLY A 1 21.671 12.979 5.889 1.00 0.00 C ATOM 4 O GLY A 1 20.931 13.798 6.436 1.00 0.00 O ATOM 0 H1 GLY A 1 24.748 14.121 5.818 1.00 0.00 H new ATOM 0 H2 GLY A 1 23.914 13.145 6.929 1.00 0.00 H new ATOM 0 H3 GLY A 1 24.672 12.441 5.582 1.00 0.00 H new ATOM 0 HA2 GLY A 1 22.785 14.493 4.864 1.00 0.00 H new ATOM 0 HA3 GLY A 1 22.986 12.882 4.203 1.00 0.00 H new ATOM 10 N PRO A 2 21.422 11.659 5.940 1.00 0.00 N ATOM 11 CA PRO A 2 20.263 11.100 6.642 1.00 0.00 C ATOM 12 C PRO A 2 20.379 11.241 8.156 1.00 0.00 C ATOM 13 O PRO A 2 21.411 11.669 8.672 1.00 0.00 O ATOM 14 CB PRO A 2 20.280 9.624 6.239 1.00 0.00 C ATOM 15 CG PRO A 2 21.702 9.339 5.903 1.00 0.00 C ATOM 16 CD PRO A 2 22.252 10.610 5.318 1.00 0.00 C ATOM 0 HA PRO A 2 19.340 11.616 6.379 1.00 0.00 H new ATOM 0 HB2 PRO A 2 19.930 8.988 7.052 1.00 0.00 H new ATOM 0 HB3 PRO A 2 19.627 9.439 5.386 1.00 0.00 H new ATOM 0 HG2 PRO A 2 22.261 9.044 6.791 1.00 0.00 H new ATOM 0 HG3 PRO A 2 21.778 8.517 5.191 1.00 0.00 H new ATOM 0 HD2 PRO A 2 23.308 10.738 5.557 1.00 0.00 H new ATOM 0 HD3 PRO A 2 22.167 10.622 4.231 1.00 0.00 H new ATOM 24 N LEU A 3 19.315 10.876 8.863 1.00 0.00 N ATOM 25 CA LEU A 3 19.298 10.961 10.319 1.00 0.00 C ATOM 26 C LEU A 3 19.040 9.592 10.941 1.00 0.00 C ATOM 27 O LEU A 3 18.881 8.598 10.232 1.00 0.00 O ATOM 28 CB LEU A 3 18.227 11.954 10.778 1.00 0.00 C ATOM 29 CG LEU A 3 18.705 13.402 10.918 1.00 0.00 C ATOM 30 CD1 LEU A 3 17.650 14.366 10.396 1.00 0.00 C ATOM 31 CD2 LEU A 3 19.045 13.714 12.368 1.00 0.00 C ATOM 0 H LEU A 3 18.453 10.518 8.451 1.00 0.00 H new ATOM 0 HA LEU A 3 20.276 11.311 10.651 1.00 0.00 H new ATOM 0 HB2 LEU A 3 17.400 11.927 10.068 1.00 0.00 H new ATOM 0 HB3 LEU A 3 17.833 11.623 11.739 1.00 0.00 H new ATOM 0 HG LEU A 3 19.608 13.525 10.320 1.00 0.00 H new ATOM 0 HD11 LEU A 3 18.008 15.390 10.504 1.00 0.00 H new ATOM 0 HD12 LEU A 3 17.456 14.158 9.344 1.00 0.00 H new ATOM 0 HD13 LEU A 3 16.729 14.241 10.966 1.00 0.00 H new ATOM 0 HD21 LEU A 3 19.383 14.747 12.448 1.00 0.00 H new ATOM 0 HD22 LEU A 3 18.160 13.572 12.988 1.00 0.00 H new ATOM 0 HD23 LEU A 3 19.836 13.046 12.708 1.00 0.00 H new ATOM 43 N GLY A 4 19.001 9.549 12.268 1.00 0.00 N ATOM 44 CA GLY A 4 18.762 8.297 12.962 1.00 0.00 C ATOM 45 C GLY A 4 17.294 8.074 13.268 1.00 0.00 C ATOM 46 O GLY A 4 16.936 7.691 14.383 1.00 0.00 O ATOM 0 H GLY A 4 19.131 10.358 12.875 1.00 0.00 H new ATOM 0 HA2 GLY A 4 19.133 7.472 12.354 1.00 0.00 H new ATOM 0 HA3 GLY A 4 19.329 8.287 13.893 1.00 0.00 H new ATOM 50 N SER A 5 16.442 8.313 12.276 1.00 0.00 N ATOM 51 CA SER A 5 15.004 8.134 12.445 1.00 0.00 C ATOM 52 C SER A 5 14.606 6.677 12.223 1.00 0.00 C ATOM 53 O SER A 5 15.190 5.987 11.385 1.00 0.00 O ATOM 54 CB SER A 5 14.241 9.037 11.474 1.00 0.00 C ATOM 55 OG SER A 5 12.933 9.307 11.948 1.00 0.00 O ATOM 0 H SER A 5 16.722 8.631 11.348 1.00 0.00 H new ATOM 0 HA SER A 5 14.746 8.410 13.468 1.00 0.00 H new ATOM 0 HB2 SER A 5 14.783 9.973 11.341 1.00 0.00 H new ATOM 0 HB3 SER A 5 14.185 8.559 10.496 1.00 0.00 H new ATOM 0 HG SER A 5 12.467 9.887 11.310 1.00 0.00 H new ATOM 61 N PRO A 6 13.604 6.184 12.972 1.00 0.00 N ATOM 62 CA PRO A 6 13.133 4.802 12.849 1.00 0.00 C ATOM 63 C PRO A 6 12.378 4.561 11.546 1.00 0.00 C ATOM 64 O PRO A 6 11.171 4.785 11.468 1.00 0.00 O ATOM 65 CB PRO A 6 12.198 4.637 14.048 1.00 0.00 C ATOM 66 CG PRO A 6 11.715 6.014 14.342 1.00 0.00 C ATOM 67 CD PRO A 6 12.851 6.936 13.996 1.00 0.00 C ATOM 0 HA PRO A 6 13.958 4.090 12.835 1.00 0.00 H new ATOM 0 HB2 PRO A 6 11.370 3.968 13.815 1.00 0.00 H new ATOM 0 HB3 PRO A 6 12.722 4.210 14.903 1.00 0.00 H new ATOM 0 HG2 PRO A 6 10.828 6.250 13.754 1.00 0.00 H new ATOM 0 HG3 PRO A 6 11.437 6.114 15.391 1.00 0.00 H new ATOM 0 HD2 PRO A 6 12.491 7.890 13.610 1.00 0.00 H new ATOM 0 HD3 PRO A 6 13.468 7.157 14.867 1.00 0.00 H new ATOM 75 N ILE A 7 13.096 4.097 10.529 1.00 0.00 N ATOM 76 CA ILE A 7 12.496 3.822 9.231 1.00 0.00 C ATOM 77 C ILE A 7 11.859 5.079 8.643 1.00 0.00 C ATOM 78 O ILE A 7 11.542 6.024 9.366 1.00 0.00 O ATOM 79 CB ILE A 7 11.434 2.711 9.341 1.00 0.00 C ATOM 80 CG1 ILE A 7 12.066 1.425 9.879 1.00 0.00 C ATOM 81 CG2 ILE A 7 10.773 2.458 7.993 1.00 0.00 C ATOM 82 CD1 ILE A 7 11.168 0.662 10.826 1.00 0.00 C ATOM 0 H ILE A 7 14.096 3.904 10.580 1.00 0.00 H new ATOM 0 HA ILE A 7 13.294 3.488 8.567 1.00 0.00 H new ATOM 0 HB ILE A 7 10.664 3.040 10.039 1.00 0.00 H new ATOM 0 HG12 ILE A 7 12.328 0.780 9.040 1.00 0.00 H new ATOM 0 HG13 ILE A 7 12.995 1.673 10.392 1.00 0.00 H new ATOM 0 HG21 ILE A 7 10.027 1.670 8.096 1.00 0.00 H new ATOM 0 HG22 ILE A 7 10.290 3.372 7.647 1.00 0.00 H new ATOM 0 HG23 ILE A 7 11.528 2.151 7.269 1.00 0.00 H new ATOM 0 HD11 ILE A 7 11.680 -0.237 11.168 1.00 0.00 H new ATOM 0 HD12 ILE A 7 10.926 1.290 11.684 1.00 0.00 H new ATOM 0 HD13 ILE A 7 10.249 0.383 10.310 1.00 0.00 H new ATOM 94 N GLY A 8 11.678 5.083 7.326 1.00 0.00 N ATOM 95 CA GLY A 8 11.082 6.229 6.664 1.00 0.00 C ATOM 96 C GLY A 8 12.100 7.054 5.902 1.00 0.00 C ATOM 97 O GLY A 8 12.316 6.840 4.709 1.00 0.00 O ATOM 0 H GLY A 8 11.933 4.314 6.706 1.00 0.00 H new ATOM 0 HA2 GLY A 8 10.309 5.886 5.976 1.00 0.00 H new ATOM 0 HA3 GLY A 8 10.591 6.859 7.406 1.00 0.00 H new ATOM 101 N ALA A 9 12.728 8.001 6.592 1.00 0.00 N ATOM 102 CA ALA A 9 13.728 8.861 5.973 1.00 0.00 C ATOM 103 C ALA A 9 14.946 8.057 5.530 1.00 0.00 C ATOM 104 O ALA A 9 15.444 8.231 4.418 1.00 0.00 O ATOM 105 CB ALA A 9 14.144 9.964 6.936 1.00 0.00 C ATOM 0 H ALA A 9 12.561 8.191 7.580 1.00 0.00 H new ATOM 0 HA ALA A 9 13.283 9.315 5.087 1.00 0.00 H new ATOM 0 HB1 ALA A 9 14.892 10.599 6.461 1.00 0.00 H new ATOM 0 HB2 ALA A 9 13.273 10.564 7.200 1.00 0.00 H new ATOM 0 HB3 ALA A 9 14.566 9.520 7.838 1.00 0.00 H new ATOM 111 N LEU A 10 15.420 7.179 6.407 1.00 0.00 N ATOM 112 CA LEU A 10 16.580 6.348 6.104 1.00 0.00 C ATOM 113 C LEU A 10 16.263 5.355 4.991 1.00 0.00 C ATOM 114 O LEU A 10 17.069 5.145 4.085 1.00 0.00 O ATOM 115 CB LEU A 10 17.038 5.600 7.358 1.00 0.00 C ATOM 116 CG LEU A 10 18.513 5.196 7.367 1.00 0.00 C ATOM 117 CD1 LEU A 10 19.404 6.425 7.450 1.00 0.00 C ATOM 118 CD2 LEU A 10 18.798 4.251 8.526 1.00 0.00 C ATOM 0 H LEU A 10 15.020 7.024 7.332 1.00 0.00 H new ATOM 0 HA LEU A 10 17.385 7.000 5.764 1.00 0.00 H new ATOM 0 HB2 LEU A 10 16.843 6.227 8.228 1.00 0.00 H new ATOM 0 HB3 LEU A 10 16.430 4.702 7.470 1.00 0.00 H new ATOM 0 HG LEU A 10 18.733 4.676 6.435 1.00 0.00 H new ATOM 0 HD11 LEU A 10 20.449 6.117 7.455 1.00 0.00 H new ATOM 0 HD12 LEU A 10 19.219 7.067 6.589 1.00 0.00 H new ATOM 0 HD13 LEU A 10 19.183 6.974 8.366 1.00 0.00 H new ATOM 0 HD21 LEU A 10 19.852 3.973 8.518 1.00 0.00 H new ATOM 0 HD22 LEU A 10 18.561 4.747 9.467 1.00 0.00 H new ATOM 0 HD23 LEU A 10 18.186 3.355 8.424 1.00 0.00 H new ATOM 130 N ALA A 11 15.084 4.746 5.067 1.00 0.00 N ATOM 131 CA ALA A 11 14.660 3.774 4.066 1.00 0.00 C ATOM 132 C ALA A 11 15.664 2.632 3.944 1.00 0.00 C ATOM 133 O ALA A 11 15.829 2.050 2.873 1.00 0.00 O ATOM 134 CB ALA A 11 14.466 4.455 2.719 1.00 0.00 C ATOM 0 H ALA A 11 14.406 4.908 5.811 1.00 0.00 H new ATOM 0 HA ALA A 11 13.709 3.351 4.389 1.00 0.00 H new ATOM 0 HB1 ALA A 11 14.150 3.718 1.981 1.00 0.00 H new ATOM 0 HB2 ALA A 11 13.704 5.229 2.809 1.00 0.00 H new ATOM 0 HB3 ALA A 11 15.406 4.907 2.401 1.00 0.00 H new ATOM 140 N SER A 12 16.332 2.318 5.049 1.00 0.00 N ATOM 141 CA SER A 12 17.320 1.246 5.066 1.00 0.00 C ATOM 142 C SER A 12 16.645 -0.119 4.974 1.00 0.00 C ATOM 143 O SER A 12 16.995 -0.940 4.126 1.00 0.00 O ATOM 144 CB SER A 12 18.167 1.324 6.337 1.00 0.00 C ATOM 145 OG SER A 12 19.334 2.100 6.126 1.00 0.00 O ATOM 0 H SER A 12 16.207 2.791 5.944 1.00 0.00 H new ATOM 0 HA SER A 12 17.968 1.370 4.198 1.00 0.00 H new ATOM 0 HB2 SER A 12 17.578 1.760 7.144 1.00 0.00 H new ATOM 0 HB3 SER A 12 18.447 0.319 6.653 1.00 0.00 H new ATOM 0 HG SER A 12 19.857 2.136 6.954 1.00 0.00 H new ATOM 151 N ALA A 13 15.676 -0.355 5.852 1.00 0.00 N ATOM 152 CA ALA A 13 14.952 -1.619 5.870 1.00 0.00 C ATOM 153 C ALA A 13 14.194 -1.837 4.566 1.00 0.00 C ATOM 154 O ALA A 13 14.013 -2.970 4.122 1.00 0.00 O ATOM 155 CB ALA A 13 13.997 -1.661 7.053 1.00 0.00 C ATOM 0 H ALA A 13 15.374 0.314 6.561 1.00 0.00 H new ATOM 0 HA ALA A 13 15.678 -2.425 5.974 1.00 0.00 H new ATOM 0 HB1 ALA A 13 13.462 -2.611 7.055 1.00 0.00 H new ATOM 0 HB2 ALA A 13 14.561 -1.560 7.980 1.00 0.00 H new ATOM 0 HB3 ALA A 13 13.282 -0.842 6.973 1.00 0.00 H new ATOM 161 N LEU A 14 13.752 -0.742 3.954 1.00 0.00 N ATOM 162 CA LEU A 14 13.013 -0.813 2.700 1.00 0.00 C ATOM 163 C LEU A 14 13.950 -1.090 1.529 1.00 0.00 C ATOM 164 O LEU A 14 13.575 -1.753 0.563 1.00 0.00 O ATOM 165 CB LEU A 14 12.249 0.490 2.460 1.00 0.00 C ATOM 166 CG LEU A 14 11.235 0.856 3.546 1.00 0.00 C ATOM 167 CD1 LEU A 14 11.199 2.362 3.757 1.00 0.00 C ATOM 168 CD2 LEU A 14 9.854 0.334 3.182 1.00 0.00 C ATOM 0 H LEU A 14 13.893 0.204 4.307 1.00 0.00 H new ATOM 0 HA LEU A 14 12.302 -1.636 2.773 1.00 0.00 H new ATOM 0 HB2 LEU A 14 12.969 1.303 2.367 1.00 0.00 H new ATOM 0 HB3 LEU A 14 11.726 0.417 1.506 1.00 0.00 H new ATOM 0 HG LEU A 14 11.545 0.386 4.480 1.00 0.00 H new ATOM 0 HD11 LEU A 14 10.472 2.603 4.533 1.00 0.00 H new ATOM 0 HD12 LEU A 14 12.186 2.710 4.063 1.00 0.00 H new ATOM 0 HD13 LEU A 14 10.913 2.853 2.827 1.00 0.00 H new ATOM 0 HD21 LEU A 14 9.145 0.603 3.965 1.00 0.00 H new ATOM 0 HD22 LEU A 14 9.536 0.775 2.237 1.00 0.00 H new ATOM 0 HD23 LEU A 14 9.890 -0.751 3.082 1.00 0.00 H new ATOM 180 N ALA A 15 15.174 -0.578 1.625 1.00 0.00 N ATOM 181 CA ALA A 15 16.166 -0.771 0.574 1.00 0.00 C ATOM 182 C ALA A 15 16.504 -2.248 0.396 1.00 0.00 C ATOM 183 O ALA A 15 16.923 -2.673 -0.680 1.00 0.00 O ATOM 184 CB ALA A 15 17.424 0.026 0.886 1.00 0.00 C ATOM 0 H ALA A 15 15.501 -0.027 2.419 1.00 0.00 H new ATOM 0 HA ALA A 15 15.740 -0.410 -0.362 1.00 0.00 H new ATOM 0 HB1 ALA A 15 18.157 -0.126 0.094 1.00 0.00 H new ATOM 0 HB2 ALA A 15 17.176 1.085 0.952 1.00 0.00 H new ATOM 0 HB3 ALA A 15 17.841 -0.309 1.836 1.00 0.00 H new ATOM 190 N ASN A 16 16.323 -3.026 1.459 1.00 0.00 N ATOM 191 CA ASN A 16 16.610 -4.456 1.420 1.00 0.00 C ATOM 192 C ASN A 16 15.833 -5.142 0.301 1.00 0.00 C ATOM 193 O ASN A 16 16.413 -5.585 -0.690 1.00 0.00 O ATOM 194 CB ASN A 16 16.269 -5.101 2.764 1.00 0.00 C ATOM 195 CG ASN A 16 17.330 -4.844 3.816 1.00 0.00 C ATOM 196 OD1 ASN A 16 18.229 -5.660 4.021 1.00 0.00 O ATOM 197 ND2 ASN A 16 17.231 -3.704 4.490 1.00 0.00 N ATOM 0 H ASN A 16 15.979 -2.690 2.358 1.00 0.00 H new ATOM 0 HA ASN A 16 17.675 -4.580 1.223 1.00 0.00 H new ATOM 0 HB2 ASN A 16 15.312 -4.716 3.116 1.00 0.00 H new ATOM 0 HB3 ASN A 16 16.149 -6.176 2.628 1.00 0.00 H new ATOM 0 HD21 ASN A 16 17.916 -3.476 5.210 1.00 0.00 H new ATOM 0 HD22 ASN A 16 16.470 -3.056 4.287 1.00 0.00 H new ATOM 204 N SER A 17 14.517 -5.231 0.468 1.00 0.00 N ATOM 205 CA SER A 17 13.662 -5.866 -0.528 1.00 0.00 C ATOM 206 C SER A 17 12.910 -4.823 -1.351 1.00 0.00 C ATOM 207 O SER A 17 12.690 -3.701 -0.893 1.00 0.00 O ATOM 208 CB SER A 17 12.666 -6.809 0.151 1.00 0.00 C ATOM 209 OG SER A 17 13.331 -7.907 0.750 1.00 0.00 O ATOM 0 H SER A 17 14.020 -4.872 1.283 1.00 0.00 H new ATOM 0 HA SER A 17 14.299 -6.441 -1.200 1.00 0.00 H new ATOM 0 HB2 SER A 17 12.103 -6.264 0.908 1.00 0.00 H new ATOM 0 HB3 SER A 17 11.946 -7.172 -0.582 1.00 0.00 H new ATOM 0 HG SER A 17 12.700 -8.405 1.310 1.00 0.00 H new ATOM 215 N PRO A 18 12.505 -5.182 -2.582 1.00 0.00 N ATOM 216 CA PRO A 18 11.775 -4.272 -3.471 1.00 0.00 C ATOM 217 C PRO A 18 10.423 -3.857 -2.892 1.00 0.00 C ATOM 218 O PRO A 18 9.905 -4.500 -1.979 1.00 0.00 O ATOM 219 CB PRO A 18 11.578 -5.092 -4.751 1.00 0.00 C ATOM 220 CG PRO A 18 11.733 -6.513 -4.328 1.00 0.00 C ATOM 221 CD PRO A 18 12.727 -6.498 -3.202 1.00 0.00 C ATOM 0 HA PRO A 18 12.318 -3.340 -3.629 1.00 0.00 H new ATOM 0 HB2 PRO A 18 10.594 -4.915 -5.185 1.00 0.00 H new ATOM 0 HB3 PRO A 18 12.314 -4.823 -5.509 1.00 0.00 H new ATOM 0 HG2 PRO A 18 10.780 -6.931 -4.003 1.00 0.00 H new ATOM 0 HG3 PRO A 18 12.087 -7.131 -5.154 1.00 0.00 H new ATOM 0 HD2 PRO A 18 12.551 -7.311 -2.497 1.00 0.00 H new ATOM 0 HD3 PRO A 18 13.749 -6.606 -3.565 1.00 0.00 H new ATOM 229 N PRO A 19 9.835 -2.769 -3.418 1.00 0.00 N ATOM 230 CA PRO A 19 8.538 -2.265 -2.949 1.00 0.00 C ATOM 231 C PRO A 19 7.444 -3.326 -3.007 1.00 0.00 C ATOM 232 O PRO A 19 6.536 -3.339 -2.177 1.00 0.00 O ATOM 233 CB PRO A 19 8.224 -1.122 -3.919 1.00 0.00 C ATOM 234 CG PRO A 19 9.548 -0.698 -4.452 1.00 0.00 C ATOM 235 CD PRO A 19 10.386 -1.942 -4.506 1.00 0.00 C ATOM 0 HA PRO A 19 8.579 -1.956 -1.904 1.00 0.00 H new ATOM 0 HB2 PRO A 19 7.563 -1.454 -4.720 1.00 0.00 H new ATOM 0 HB3 PRO A 19 7.721 -0.299 -3.411 1.00 0.00 H new ATOM 0 HG2 PRO A 19 9.446 -0.252 -5.441 1.00 0.00 H new ATOM 0 HG3 PRO A 19 10.006 0.054 -3.809 1.00 0.00 H new ATOM 0 HD2 PRO A 19 10.304 -2.441 -5.472 1.00 0.00 H new ATOM 0 HD3 PRO A 19 11.442 -1.723 -4.349 1.00 0.00 H new ATOM 243 N GLU A 20 7.534 -4.212 -3.994 1.00 0.00 N ATOM 244 CA GLU A 20 6.547 -5.275 -4.159 1.00 0.00 C ATOM 245 C GLU A 20 6.638 -6.289 -3.022 1.00 0.00 C ATOM 246 O GLU A 20 5.619 -6.802 -2.545 1.00 0.00 O ATOM 247 CB GLU A 20 6.747 -5.980 -5.502 1.00 0.00 C ATOM 248 CG GLU A 20 8.164 -6.486 -5.718 1.00 0.00 C ATOM 249 CD GLU A 20 8.260 -7.482 -6.858 1.00 0.00 C ATOM 250 OE1 GLU A 20 7.469 -8.448 -6.870 1.00 0.00 O ATOM 251 OE2 GLU A 20 9.126 -7.294 -7.738 1.00 0.00 O ATOM 0 H GLU A 20 8.279 -4.216 -4.691 1.00 0.00 H new ATOM 0 HA GLU A 20 5.556 -4.821 -4.136 1.00 0.00 H new ATOM 0 HB2 GLU A 20 6.056 -6.820 -5.568 1.00 0.00 H new ATOM 0 HB3 GLU A 20 6.489 -5.291 -6.307 1.00 0.00 H new ATOM 0 HG2 GLU A 20 8.821 -5.640 -5.923 1.00 0.00 H new ATOM 0 HG3 GLU A 20 8.523 -6.953 -4.801 1.00 0.00 H new ATOM 258 N THR A 21 7.863 -6.574 -2.587 1.00 0.00 N ATOM 259 CA THR A 21 8.072 -7.528 -1.506 1.00 0.00 C ATOM 260 C THR A 21 7.435 -7.010 -0.232 1.00 0.00 C ATOM 261 O THR A 21 6.673 -7.718 0.430 1.00 0.00 O ATOM 262 CB THR A 21 9.566 -7.781 -1.293 1.00 0.00 C ATOM 263 OG1 THR A 21 10.135 -8.395 -2.436 1.00 0.00 O ATOM 264 CG2 THR A 21 9.863 -8.666 -0.100 1.00 0.00 C ATOM 0 H THR A 21 8.717 -6.162 -2.963 1.00 0.00 H new ATOM 0 HA THR A 21 7.603 -8.474 -1.777 1.00 0.00 H new ATOM 0 HB THR A 21 10.002 -6.799 -1.110 1.00 0.00 H new ATOM 0 HG1 THR A 21 10.976 -8.832 -2.188 1.00 0.00 H new ATOM 0 HG21 THR A 21 10.940 -8.804 -0.008 1.00 0.00 H new ATOM 0 HG22 THR A 21 9.479 -8.197 0.806 1.00 0.00 H new ATOM 0 HG23 THR A 21 9.384 -9.635 -0.238 1.00 0.00 H new ATOM 272 N GLN A 22 7.705 -5.756 0.077 1.00 0.00 N ATOM 273 CA GLN A 22 7.105 -5.133 1.243 1.00 0.00 C ATOM 274 C GLN A 22 5.632 -4.960 0.987 1.00 0.00 C ATOM 275 O GLN A 22 4.803 -5.196 1.862 1.00 0.00 O ATOM 276 CB GLN A 22 7.706 -3.754 1.547 1.00 0.00 C ATOM 277 CG GLN A 22 6.759 -2.847 2.345 1.00 0.00 C ATOM 278 CD GLN A 22 5.617 -2.286 1.500 1.00 0.00 C ATOM 279 OE1 GLN A 22 5.851 -1.506 0.578 1.00 0.00 O ATOM 280 NE2 GLN A 22 4.364 -2.677 1.803 1.00 0.00 N ATOM 0 H GLN A 22 8.330 -5.152 -0.457 1.00 0.00 H new ATOM 0 HA GLN A 22 7.297 -5.779 2.100 1.00 0.00 H new ATOM 0 HB2 GLN A 22 8.633 -3.883 2.106 1.00 0.00 H new ATOM 0 HB3 GLN A 22 7.966 -3.263 0.609 1.00 0.00 H new ATOM 0 HG2 GLN A 22 6.343 -3.411 3.180 1.00 0.00 H new ATOM 0 HG3 GLN A 22 7.329 -2.021 2.770 1.00 0.00 H new ATOM 0 HE21 GLN A 22 4.204 -3.325 2.574 1.00 0.00 H new ATOM 0 HE22 GLN A 22 3.575 -2.325 1.261 1.00 0.00 H new ATOM 289 N ARG A 23 5.329 -4.485 -0.225 1.00 0.00 N ATOM 290 CA ARG A 23 3.972 -4.206 -0.641 1.00 0.00 C ATOM 291 C ARG A 23 2.969 -4.966 0.201 1.00 0.00 C ATOM 292 O ARG A 23 2.434 -4.439 1.172 1.00 0.00 O ATOM 293 CB ARG A 23 3.783 -4.533 -2.123 1.00 0.00 C ATOM 294 CG ARG A 23 2.361 -4.314 -2.602 1.00 0.00 C ATOM 295 CD ARG A 23 1.739 -5.608 -3.096 1.00 0.00 C ATOM 296 NE ARG A 23 0.755 -5.375 -4.151 1.00 0.00 N ATOM 297 CZ ARG A 23 -0.177 -6.259 -4.502 1.00 0.00 C ATOM 298 NH1 ARG A 23 -0.254 -7.433 -3.889 1.00 0.00 N ATOM 299 NH2 ARG A 23 -1.034 -5.967 -5.471 1.00 0.00 N ATOM 0 H ARG A 23 6.029 -4.286 -0.940 1.00 0.00 H new ATOM 0 HA ARG A 23 3.794 -3.141 -0.494 1.00 0.00 H new ATOM 0 HB2 ARG A 23 4.459 -3.915 -2.715 1.00 0.00 H new ATOM 0 HB3 ARG A 23 4.064 -5.571 -2.299 1.00 0.00 H new ATOM 0 HG2 ARG A 23 1.760 -3.906 -1.789 1.00 0.00 H new ATOM 0 HG3 ARG A 23 2.355 -3.576 -3.404 1.00 0.00 H new ATOM 0 HD2 ARG A 23 2.522 -6.267 -3.470 1.00 0.00 H new ATOM 0 HD3 ARG A 23 1.261 -6.122 -2.262 1.00 0.00 H new ATOM 0 HE ARG A 23 0.784 -4.484 -4.647 1.00 0.00 H new ATOM 0 HH11 ARG A 23 0.403 -7.663 -3.144 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -0.970 -8.105 -4.163 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -0.979 -5.066 -5.946 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -1.748 -6.643 -5.741 1.00 0.00 H new ATOM 313 N MET A 24 2.733 -6.209 -0.155 1.00 0.00 N ATOM 314 CA MET A 24 1.797 -7.025 0.588 1.00 0.00 C ATOM 315 C MET A 24 2.209 -7.144 2.056 1.00 0.00 C ATOM 316 O MET A 24 1.355 -7.230 2.933 1.00 0.00 O ATOM 317 CB MET A 24 1.666 -8.412 -0.042 1.00 0.00 C ATOM 318 CG MET A 24 0.658 -9.307 0.658 1.00 0.00 C ATOM 319 SD MET A 24 1.100 -11.053 0.569 1.00 0.00 S ATOM 320 CE MET A 24 1.545 -11.378 2.273 1.00 0.00 C ATOM 0 H MET A 24 3.172 -6.675 -0.949 1.00 0.00 H new ATOM 0 HA MET A 24 0.825 -6.532 0.548 1.00 0.00 H new ATOM 0 HB2 MET A 24 1.376 -8.301 -1.087 1.00 0.00 H new ATOM 0 HB3 MET A 24 2.641 -8.900 -0.032 1.00 0.00 H new ATOM 0 HG2 MET A 24 0.578 -9.009 1.703 1.00 0.00 H new ATOM 0 HG3 MET A 24 -0.325 -9.162 0.209 1.00 0.00 H new ATOM 0 HE1 MET A 24 2.235 -12.221 2.314 1.00 0.00 H new ATOM 0 HE2 MET A 24 2.024 -10.496 2.699 1.00 0.00 H new ATOM 0 HE3 MET A 24 0.648 -11.615 2.845 1.00 0.00 H new ATOM 330 N MET A 25 3.515 -7.185 2.321 1.00 0.00 N ATOM 331 CA MET A 25 3.999 -7.331 3.694 1.00 0.00 C ATOM 332 C MET A 25 3.471 -6.227 4.620 1.00 0.00 C ATOM 333 O MET A 25 2.896 -6.534 5.664 1.00 0.00 O ATOM 334 CB MET A 25 5.528 -7.337 3.713 1.00 0.00 C ATOM 335 CG MET A 25 6.128 -8.723 3.870 1.00 0.00 C ATOM 336 SD MET A 25 5.610 -9.536 5.394 1.00 0.00 S ATOM 337 CE MET A 25 6.026 -11.239 5.027 1.00 0.00 C ATOM 0 H MET A 25 4.248 -7.120 1.614 1.00 0.00 H new ATOM 0 HA MET A 25 3.620 -8.281 4.070 1.00 0.00 H new ATOM 0 HB2 MET A 25 5.896 -6.893 2.788 1.00 0.00 H new ATOM 0 HB3 MET A 25 5.875 -6.705 4.530 1.00 0.00 H new ATOM 0 HG2 MET A 25 5.839 -9.338 3.018 1.00 0.00 H new ATOM 0 HG3 MET A 25 7.215 -8.648 3.854 1.00 0.00 H new ATOM 0 HE1 MET A 25 5.764 -11.869 5.877 1.00 0.00 H new ATOM 0 HE2 MET A 25 5.472 -11.568 4.148 1.00 0.00 H new ATOM 0 HE3 MET A 25 7.096 -11.318 4.832 1.00 0.00 H new ATOM 347 N LEU A 26 3.619 -4.949 4.244 1.00 0.00 N ATOM 348 CA LEU A 26 3.084 -3.880 5.095 1.00 0.00 C ATOM 349 C LEU A 26 1.574 -3.938 5.049 1.00 0.00 C ATOM 350 O LEU A 26 0.917 -3.945 6.079 1.00 0.00 O ATOM 351 CB LEU A 26 3.567 -2.484 4.695 1.00 0.00 C ATOM 352 CG LEU A 26 5.011 -2.162 5.080 1.00 0.00 C ATOM 353 CD1 LEU A 26 5.488 -0.907 4.366 1.00 0.00 C ATOM 354 CD2 LEU A 26 5.133 -1.996 6.587 1.00 0.00 C ATOM 0 H LEU A 26 4.085 -4.639 3.391 1.00 0.00 H new ATOM 0 HA LEU A 26 3.454 -4.049 6.106 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.463 -2.376 3.615 1.00 0.00 H new ATOM 0 HB3 LEU A 26 2.911 -1.744 5.154 1.00 0.00 H new ATOM 0 HG LEU A 26 5.644 -2.994 4.770 1.00 0.00 H new ATOM 0 HD11 LEU A 26 6.518 -0.694 4.653 1.00 0.00 H new ATOM 0 HD12 LEU A 26 5.436 -1.060 3.288 1.00 0.00 H new ATOM 0 HD13 LEU A 26 4.853 -0.066 4.645 1.00 0.00 H new ATOM 0 HD21 LEU A 26 6.167 -1.767 6.845 1.00 0.00 H new ATOM 0 HD22 LEU A 26 4.488 -1.182 6.917 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.832 -2.920 7.080 1.00 0.00 H new ATOM 366 N GLY A 27 1.028 -4.022 3.836 1.00 0.00 N ATOM 367 CA GLY A 27 -0.383 -4.123 3.674 1.00 0.00 C ATOM 368 C GLY A 27 -0.916 -5.303 4.449 1.00 0.00 C ATOM 369 O GLY A 27 -2.020 -5.268 4.953 1.00 0.00 O ATOM 0 H GLY A 27 1.559 -4.020 2.965 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -0.862 -3.207 4.019 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -0.628 -4.233 2.617 1.00 0.00 H new ATOM 373 N GLU A 28 -0.121 -6.343 4.598 1.00 0.00 N ATOM 374 CA GLU A 28 -0.566 -7.490 5.365 1.00 0.00 C ATOM 375 C GLU A 28 -0.981 -7.026 6.758 1.00 0.00 C ATOM 376 O GLU A 28 -2.056 -7.374 7.253 1.00 0.00 O ATOM 377 CB GLU A 28 0.544 -8.540 5.462 1.00 0.00 C ATOM 378 CG GLU A 28 0.164 -9.883 4.860 1.00 0.00 C ATOM 379 CD GLU A 28 -0.526 -10.794 5.856 1.00 0.00 C ATOM 380 OE1 GLU A 28 -0.275 -10.644 7.071 1.00 0.00 O ATOM 381 OE2 GLU A 28 -1.317 -11.659 5.422 1.00 0.00 O ATOM 0 H GLU A 28 0.818 -6.419 4.207 1.00 0.00 H new ATOM 0 HA GLU A 28 -1.418 -7.949 4.864 1.00 0.00 H new ATOM 0 HB2 GLU A 28 1.434 -8.164 4.958 1.00 0.00 H new ATOM 0 HB3 GLU A 28 0.808 -8.682 6.510 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -0.493 -9.721 4.006 1.00 0.00 H new ATOM 0 HG3 GLU A 28 1.061 -10.375 4.484 1.00 0.00 H new ATOM 388 N ASN A 29 -0.134 -6.201 7.368 1.00 0.00 N ATOM 389 CA ASN A 29 -0.424 -5.670 8.700 1.00 0.00 C ATOM 390 C ASN A 29 -1.126 -4.319 8.615 1.00 0.00 C ATOM 391 O ASN A 29 -2.090 -4.054 9.337 1.00 0.00 O ATOM 392 CB ASN A 29 0.868 -5.535 9.507 1.00 0.00 C ATOM 393 CG ASN A 29 1.557 -6.868 9.726 1.00 0.00 C ATOM 394 OD1 ASN A 29 1.088 -7.906 9.260 1.00 0.00 O ATOM 395 ND2 ASN A 29 2.677 -6.844 10.439 1.00 0.00 N ATOM 0 H ASN A 29 0.750 -5.887 6.968 1.00 0.00 H new ATOM 0 HA ASN A 29 -1.091 -6.370 9.202 1.00 0.00 H new ATOM 0 HB2 ASN A 29 1.548 -4.859 8.988 1.00 0.00 H new ATOM 0 HB3 ASN A 29 0.644 -5.082 10.473 1.00 0.00 H new ATOM 0 HD21 ASN A 29 3.185 -7.710 10.620 1.00 0.00 H new ATOM 0 HD22 ASN A 29 3.029 -5.960 10.806 1.00 0.00 H new ATOM 402 N LEU A 30 -0.633 -3.468 7.731 1.00 0.00 N ATOM 403 CA LEU A 30 -1.193 -2.142 7.548 1.00 0.00 C ATOM 404 C LEU A 30 -2.487 -2.167 6.732 1.00 0.00 C ATOM 405 O LEU A 30 -3.419 -1.450 7.059 1.00 0.00 O ATOM 406 CB LEU A 30 -0.167 -1.222 6.894 1.00 0.00 C ATOM 407 CG LEU A 30 0.952 -0.740 7.818 1.00 0.00 C ATOM 408 CD1 LEU A 30 0.385 0.112 8.943 1.00 0.00 C ATOM 409 CD2 LEU A 30 1.723 -1.925 8.381 1.00 0.00 C ATOM 0 H LEU A 30 0.161 -3.676 7.125 1.00 0.00 H new ATOM 0 HA LEU A 30 -1.444 -1.756 8.536 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.280 -1.745 6.049 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.686 -0.352 6.492 1.00 0.00 H new ATOM 0 HG LEU A 30 1.640 -0.126 7.237 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.196 0.446 9.590 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -0.124 0.979 8.522 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.324 -0.478 9.524 1.00 0.00 H new ATOM 0 HD21 LEU A 30 2.516 -1.565 9.037 1.00 0.00 H new ATOM 0 HD22 LEU A 30 1.046 -2.564 8.948 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.161 -2.496 7.562 1.00 0.00 H new ATOM 421 N TYR A 31 -2.561 -2.991 5.680 1.00 0.00 N ATOM 422 CA TYR A 31 -3.778 -3.063 4.865 1.00 0.00 C ATOM 423 C TYR A 31 -4.963 -3.285 5.776 1.00 0.00 C ATOM 424 O TYR A 31 -5.922 -2.538 5.721 1.00 0.00 O ATOM 425 CB TYR A 31 -3.709 -4.164 3.787 1.00 0.00 C ATOM 426 CG TYR A 31 -5.053 -4.727 3.365 1.00 0.00 C ATOM 427 CD1 TYR A 31 -5.710 -5.662 4.158 1.00 0.00 C ATOM 428 CD2 TYR A 31 -5.656 -4.337 2.178 1.00 0.00 C ATOM 429 CE1 TYR A 31 -6.930 -6.187 3.782 1.00 0.00 C ATOM 430 CE2 TYR A 31 -6.878 -4.860 1.796 1.00 0.00 C ATOM 431 CZ TYR A 31 -7.509 -5.785 2.601 1.00 0.00 C ATOM 432 OH TYR A 31 -8.725 -6.305 2.221 1.00 0.00 O ATOM 0 H TYR A 31 -1.807 -3.607 5.377 1.00 0.00 H new ATOM 0 HA TYR A 31 -3.883 -2.119 4.330 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -3.208 -3.760 2.907 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -3.090 -4.980 4.160 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -5.257 -5.983 5.085 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -5.164 -3.615 1.543 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -7.427 -6.910 4.412 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -7.337 -4.545 0.870 1.00 0.00 H new ATOM 0 HH TYR A 31 -9.427 -5.961 2.812 1.00 0.00 H new ATOM 442 N PRO A 32 -4.922 -4.271 6.675 1.00 0.00 N ATOM 443 CA PRO A 32 -6.035 -4.464 7.578 1.00 0.00 C ATOM 444 C PRO A 32 -6.312 -3.174 8.339 1.00 0.00 C ATOM 445 O PRO A 32 -7.462 -2.855 8.639 1.00 0.00 O ATOM 446 CB PRO A 32 -5.556 -5.558 8.537 1.00 0.00 C ATOM 447 CG PRO A 32 -4.437 -6.240 7.831 1.00 0.00 C ATOM 448 CD PRO A 32 -3.830 -5.224 6.901 1.00 0.00 C ATOM 0 HA PRO A 32 -6.957 -4.737 7.065 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -5.222 -5.132 9.483 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -6.359 -6.258 8.768 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -3.696 -6.605 8.542 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -4.800 -7.105 7.276 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -2.961 -4.740 7.347 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -3.497 -5.681 5.969 1.00 0.00 H new ATOM 456 N LEU A 33 -5.250 -2.408 8.617 1.00 0.00 N ATOM 457 CA LEU A 33 -5.411 -1.136 9.301 1.00 0.00 C ATOM 458 C LEU A 33 -5.854 -0.065 8.323 1.00 0.00 C ATOM 459 O LEU A 33 -6.805 0.678 8.566 1.00 0.00 O ATOM 460 CB LEU A 33 -4.102 -0.724 9.980 1.00 0.00 C ATOM 461 CG LEU A 33 -4.030 -1.025 11.477 1.00 0.00 C ATOM 462 CD1 LEU A 33 -5.181 -0.356 12.212 1.00 0.00 C ATOM 463 CD2 LEU A 33 -4.044 -2.527 11.718 1.00 0.00 C ATOM 0 H LEU A 33 -4.288 -2.649 8.380 1.00 0.00 H new ATOM 0 HA LEU A 33 -6.178 -1.250 10.067 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.276 -1.232 9.482 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.954 0.346 9.832 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.095 -0.622 11.865 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.113 -0.581 13.276 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.128 0.723 12.066 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.128 -0.729 11.822 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -3.992 -2.724 12.789 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -4.963 -2.952 11.315 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.186 -2.983 11.223 1.00 0.00 H new ATOM 475 N VAL A 34 -5.138 -0.009 7.203 1.00 0.00 N ATOM 476 CA VAL A 34 -5.421 0.940 6.157 1.00 0.00 C ATOM 477 C VAL A 34 -6.620 0.524 5.353 1.00 0.00 C ATOM 478 O VAL A 34 -7.541 1.315 5.162 1.00 0.00 O ATOM 479 CB VAL A 34 -4.201 1.137 5.277 1.00 0.00 C ATOM 480 CG1 VAL A 34 -4.518 2.107 4.156 1.00 0.00 C ATOM 481 CG2 VAL A 34 -3.056 1.636 6.149 1.00 0.00 C ATOM 0 H VAL A 34 -4.349 -0.624 7.006 1.00 0.00 H new ATOM 0 HA VAL A 34 -5.662 1.897 6.619 1.00 0.00 H new ATOM 0 HB VAL A 34 -3.907 0.196 4.813 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -3.635 2.241 3.531 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -5.334 1.711 3.552 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -4.813 3.068 4.579 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -2.168 1.784 5.534 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -3.338 2.581 6.613 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.842 0.900 6.924 1.00 0.00 H new ATOM 491 N ASP A 35 -6.616 -0.731 4.906 1.00 0.00 N ATOM 492 CA ASP A 35 -7.745 -1.266 4.140 1.00 0.00 C ATOM 493 C ASP A 35 -9.067 -0.648 4.614 1.00 0.00 C ATOM 494 O ASP A 35 -9.732 -1.187 5.499 1.00 0.00 O ATOM 495 CB ASP A 35 -7.835 -2.789 4.260 1.00 0.00 C ATOM 496 CG ASP A 35 -8.996 -3.366 3.471 1.00 0.00 C ATOM 497 OD1 ASP A 35 -8.995 -3.234 2.231 1.00 0.00 O ATOM 498 OD2 ASP A 35 -9.904 -3.950 4.097 1.00 0.00 O ATOM 0 H ASP A 35 -5.854 -1.391 5.058 1.00 0.00 H new ATOM 0 HA ASP A 35 -7.573 -1.005 3.096 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -6.904 -3.234 3.908 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -7.942 -3.062 5.310 1.00 0.00 H new ATOM 503 N GLN A 36 -9.415 0.499 4.046 1.00 0.00 N ATOM 504 CA GLN A 36 -10.627 1.219 4.429 1.00 0.00 C ATOM 505 C GLN A 36 -11.887 0.389 4.209 1.00 0.00 C ATOM 506 O GLN A 36 -12.701 0.230 5.118 1.00 0.00 O ATOM 507 CB GLN A 36 -10.725 2.530 3.647 1.00 0.00 C ATOM 508 CG GLN A 36 -10.489 2.369 2.154 1.00 0.00 C ATOM 509 CD GLN A 36 -9.611 3.460 1.579 1.00 0.00 C ATOM 510 OE1 GLN A 36 -10.090 4.548 1.258 1.00 0.00 O ATOM 511 NE2 GLN A 36 -8.317 3.181 1.451 1.00 0.00 N ATOM 0 H GLN A 36 -8.872 0.955 3.313 1.00 0.00 H new ATOM 0 HA GLN A 36 -10.556 1.429 5.496 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -11.712 2.964 3.805 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -9.998 3.237 4.047 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -10.027 1.400 1.966 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -11.448 2.370 1.637 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -7.963 2.266 1.730 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -7.679 3.882 1.074 1.00 0.00 H new ATOM 520 N LEU A 37 -12.053 -0.125 2.998 1.00 0.00 N ATOM 521 CA LEU A 37 -13.232 -0.924 2.668 1.00 0.00 C ATOM 522 C LEU A 37 -12.862 -2.387 2.447 1.00 0.00 C ATOM 523 O LEU A 37 -11.804 -2.843 2.882 1.00 0.00 O ATOM 524 CB LEU A 37 -13.929 -0.368 1.418 1.00 0.00 C ATOM 525 CG LEU A 37 -13.792 1.143 1.195 1.00 0.00 C ATOM 526 CD1 LEU A 37 -13.111 1.425 -0.137 1.00 0.00 C ATOM 527 CD2 LEU A 37 -15.156 1.817 1.249 1.00 0.00 C ATOM 0 H LEU A 37 -11.392 -0.006 2.230 1.00 0.00 H new ATOM 0 HA LEU A 37 -13.918 -0.866 3.513 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -13.531 -0.883 0.544 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -14.989 -0.613 1.477 1.00 0.00 H new ATOM 0 HG LEU A 37 -13.174 1.554 1.993 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -13.022 2.502 -0.279 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -12.118 0.975 -0.140 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -13.705 1.000 -0.946 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -15.039 2.889 1.089 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -15.798 1.402 0.472 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -15.609 1.644 2.225 1.00 0.00 H new ATOM 539 N GLU A 38 -13.734 -3.118 1.757 1.00 0.00 N ATOM 540 CA GLU A 38 -13.491 -4.522 1.469 1.00 0.00 C ATOM 541 C GLU A 38 -12.394 -4.670 0.421 1.00 0.00 C ATOM 542 O GLU A 38 -12.315 -3.884 -0.524 1.00 0.00 O ATOM 543 CB GLU A 38 -14.775 -5.197 0.982 1.00 0.00 C ATOM 544 CG GLU A 38 -15.584 -5.841 2.096 1.00 0.00 C ATOM 545 CD GLU A 38 -16.601 -6.838 1.575 1.00 0.00 C ATOM 546 OE1 GLU A 38 -17.690 -6.404 1.142 1.00 0.00 O ATOM 547 OE2 GLU A 38 -16.310 -8.052 1.601 1.00 0.00 O ATOM 0 H GLU A 38 -14.614 -2.758 1.388 1.00 0.00 H new ATOM 0 HA GLU A 38 -13.165 -5.009 2.388 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -15.395 -4.457 0.475 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -14.519 -5.957 0.244 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -14.908 -6.344 2.787 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -16.099 -5.065 2.662 1.00 0.00 H new ATOM 554 N HIS A 39 -11.547 -5.680 0.607 1.00 0.00 N ATOM 555 CA HIS A 39 -10.429 -5.962 -0.301 1.00 0.00 C ATOM 556 C HIS A 39 -10.757 -5.634 -1.759 1.00 0.00 C ATOM 557 O HIS A 39 -9.873 -5.240 -2.521 1.00 0.00 O ATOM 558 CB HIS A 39 -10.024 -7.433 -0.186 1.00 0.00 C ATOM 559 CG HIS A 39 -8.809 -7.785 -0.988 1.00 0.00 C ATOM 560 ND1 HIS A 39 -8.807 -7.849 -2.365 1.00 0.00 N ATOM 561 CD2 HIS A 39 -7.549 -8.094 -0.598 1.00 0.00 C ATOM 562 CE1 HIS A 39 -7.602 -8.183 -2.789 1.00 0.00 C ATOM 563 NE2 HIS A 39 -6.820 -8.337 -1.737 1.00 0.00 N ATOM 0 H HIS A 39 -11.614 -6.329 1.391 1.00 0.00 H new ATOM 0 HA HIS A 39 -9.603 -5.318 -0.000 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -9.838 -7.669 0.862 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -10.857 -8.057 -0.511 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -7.186 -8.141 0.418 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -7.307 -8.309 -3.820 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -5.834 -8.595 -1.765 1.00 0.00 H new ATOM 571 N ASP A 40 -12.022 -5.808 -2.144 1.00 0.00 N ATOM 572 CA ASP A 40 -12.461 -5.536 -3.515 1.00 0.00 C ATOM 573 C ASP A 40 -11.772 -4.301 -4.093 1.00 0.00 C ATOM 574 O ASP A 40 -10.868 -4.414 -4.920 1.00 0.00 O ATOM 575 CB ASP A 40 -13.981 -5.360 -3.561 1.00 0.00 C ATOM 576 CG ASP A 40 -14.496 -5.134 -4.970 1.00 0.00 C ATOM 577 OD1 ASP A 40 -14.065 -4.152 -5.610 1.00 0.00 O ATOM 578 OD2 ASP A 40 -15.330 -5.940 -5.433 1.00 0.00 O ATOM 0 H ASP A 40 -12.763 -6.137 -1.525 1.00 0.00 H new ATOM 0 HA ASP A 40 -12.180 -6.393 -4.127 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -14.459 -6.245 -3.140 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -14.265 -4.515 -2.934 1.00 0.00 H new ATOM 583 N GLN A 41 -12.195 -3.127 -3.643 1.00 0.00 N ATOM 584 CA GLN A 41 -11.605 -1.878 -4.107 1.00 0.00 C ATOM 585 C GLN A 41 -10.665 -1.314 -3.048 1.00 0.00 C ATOM 586 O GLN A 41 -9.765 -0.531 -3.351 1.00 0.00 O ATOM 587 CB GLN A 41 -12.695 -0.851 -4.437 1.00 0.00 C ATOM 588 CG GLN A 41 -13.888 -0.894 -3.494 1.00 0.00 C ATOM 589 CD GLN A 41 -14.972 0.096 -3.878 1.00 0.00 C ATOM 590 OE1 GLN A 41 -16.151 -0.253 -3.945 1.00 0.00 O ATOM 591 NE2 GLN A 41 -14.576 1.336 -4.133 1.00 0.00 N ATOM 0 H GLN A 41 -12.943 -3.013 -2.959 1.00 0.00 H new ATOM 0 HA GLN A 41 -11.038 -2.086 -5.014 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -12.259 0.148 -4.411 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -13.043 -1.020 -5.456 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -14.306 -1.901 -3.489 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -13.552 -0.683 -2.479 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -13.588 1.580 -4.065 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -15.260 2.046 -4.397 1.00 0.00 H new ATOM 600 N ALA A 42 -10.886 -1.720 -1.800 1.00 0.00 N ATOM 601 CA ALA A 42 -10.066 -1.262 -0.685 1.00 0.00 C ATOM 602 C ALA A 42 -8.623 -1.729 -0.816 1.00 0.00 C ATOM 603 O ALA A 42 -7.688 -0.962 -0.587 1.00 0.00 O ATOM 604 CB ALA A 42 -10.655 -1.748 0.622 1.00 0.00 C ATOM 0 H ALA A 42 -11.629 -2.367 -1.537 1.00 0.00 H new ATOM 0 HA ALA A 42 -10.062 -0.172 -0.700 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -10.037 -1.402 1.451 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -11.665 -1.355 0.734 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -10.687 -2.838 0.624 1.00 0.00 H new ATOM 610 N ALA A 43 -8.449 -2.992 -1.184 1.00 0.00 N ATOM 611 CA ALA A 43 -7.120 -3.564 -1.342 1.00 0.00 C ATOM 612 C ALA A 43 -6.389 -2.925 -2.506 1.00 0.00 C ATOM 613 O ALA A 43 -5.165 -2.803 -2.494 1.00 0.00 O ATOM 614 CB ALA A 43 -7.210 -5.069 -1.544 1.00 0.00 C ATOM 0 H ALA A 43 -9.213 -3.639 -1.379 1.00 0.00 H new ATOM 0 HA ALA A 43 -6.556 -3.363 -0.431 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -6.208 -5.481 -1.661 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -7.691 -5.524 -0.678 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -7.796 -5.282 -2.438 1.00 0.00 H new ATOM 620 N LYS A 44 -7.144 -2.535 -3.524 1.00 0.00 N ATOM 621 CA LYS A 44 -6.554 -1.929 -4.702 1.00 0.00 C ATOM 622 C LYS A 44 -5.911 -0.584 -4.382 1.00 0.00 C ATOM 623 O LYS A 44 -4.782 -0.334 -4.772 1.00 0.00 O ATOM 624 CB LYS A 44 -7.615 -1.752 -5.790 1.00 0.00 C ATOM 625 CG LYS A 44 -8.212 -3.062 -6.277 1.00 0.00 C ATOM 626 CD LYS A 44 -7.332 -3.719 -7.329 1.00 0.00 C ATOM 627 CE LYS A 44 -7.466 -5.234 -7.299 1.00 0.00 C ATOM 628 NZ LYS A 44 -7.412 -5.823 -8.666 1.00 0.00 N ATOM 0 H LYS A 44 -8.159 -2.628 -3.555 1.00 0.00 H new ATOM 0 HA LYS A 44 -5.772 -2.598 -5.061 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -8.415 -1.118 -5.406 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -7.171 -1.228 -6.636 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -8.340 -3.740 -5.433 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -9.203 -2.879 -6.693 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -7.605 -3.348 -8.317 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -6.292 -3.441 -7.160 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -6.668 -5.657 -6.689 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -8.408 -5.506 -6.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -7.507 -6.857 -8.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -8.189 -5.439 -9.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -6.502 -5.585 -9.111 1.00 0.00 H new ATOM 642 N VAL A 45 -6.630 0.294 -3.695 1.00 0.00 N ATOM 643 CA VAL A 45 -6.082 1.612 -3.379 1.00 0.00 C ATOM 644 C VAL A 45 -4.976 1.594 -2.324 1.00 0.00 C ATOM 645 O VAL A 45 -3.920 2.199 -2.517 1.00 0.00 O ATOM 646 CB VAL A 45 -7.175 2.575 -2.871 1.00 0.00 C ATOM 647 CG1 VAL A 45 -7.954 3.151 -4.032 1.00 0.00 C ATOM 648 CG2 VAL A 45 -8.107 1.893 -1.876 1.00 0.00 C ATOM 0 H VAL A 45 -7.575 0.126 -3.351 1.00 0.00 H new ATOM 0 HA VAL A 45 -5.659 1.952 -4.324 1.00 0.00 H new ATOM 0 HB VAL A 45 -6.681 3.392 -2.345 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -8.721 3.828 -3.655 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -7.277 3.698 -4.688 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -8.426 2.343 -4.590 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -8.863 2.603 -1.541 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -8.594 1.044 -2.356 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -7.531 1.544 -1.019 1.00 0.00 H new ATOM 658 N THR A 46 -5.235 0.958 -1.186 1.00 0.00 N ATOM 659 CA THR A 46 -4.265 0.958 -0.095 1.00 0.00 C ATOM 660 C THR A 46 -3.009 0.141 -0.358 1.00 0.00 C ATOM 661 O THR A 46 -1.899 0.652 -0.243 1.00 0.00 O ATOM 662 CB THR A 46 -4.964 0.413 1.160 1.00 0.00 C ATOM 663 OG1 THR A 46 -5.779 1.412 1.743 1.00 0.00 O ATOM 664 CG2 THR A 46 -4.025 -0.103 2.241 1.00 0.00 C ATOM 0 H THR A 46 -6.095 0.443 -0.996 1.00 0.00 H new ATOM 0 HA THR A 46 -3.926 1.987 0.024 1.00 0.00 H new ATOM 0 HB THR A 46 -5.547 -0.435 0.801 1.00 0.00 H new ATOM 0 HG1 THR A 46 -6.448 0.991 2.323 1.00 0.00 H new ATOM 0 HG21 THR A 46 -4.609 -0.467 3.087 1.00 0.00 H new ATOM 0 HG22 THR A 46 -3.421 -0.917 1.840 1.00 0.00 H new ATOM 0 HG23 THR A 46 -3.372 0.705 2.572 1.00 0.00 H new ATOM 672 N GLY A 47 -3.186 -1.121 -0.692 1.00 0.00 N ATOM 673 CA GLY A 47 -2.046 -1.983 -0.917 1.00 0.00 C ATOM 674 C GLY A 47 -1.329 -1.795 -2.251 1.00 0.00 C ATOM 675 O GLY A 47 -0.150 -2.115 -2.356 1.00 0.00 O ATOM 0 H GLY A 47 -4.095 -1.567 -0.812 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -1.328 -1.822 -0.113 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.377 -3.019 -0.846 1.00 0.00 H new ATOM 679 N MET A 48 -2.013 -1.294 -3.282 1.00 0.00 N ATOM 680 CA MET A 48 -1.354 -1.106 -4.580 1.00 0.00 C ATOM 681 C MET A 48 -0.233 -0.091 -4.456 1.00 0.00 C ATOM 682 O MET A 48 0.886 -0.321 -4.914 1.00 0.00 O ATOM 683 CB MET A 48 -2.338 -0.646 -5.654 1.00 0.00 C ATOM 684 CG MET A 48 -3.133 -1.784 -6.277 1.00 0.00 C ATOM 685 SD MET A 48 -2.311 -2.496 -7.716 1.00 0.00 S ATOM 686 CE MET A 48 -2.718 -4.229 -7.518 1.00 0.00 C ATOM 0 H MET A 48 -2.994 -1.018 -3.250 1.00 0.00 H new ATOM 0 HA MET A 48 -0.948 -2.071 -4.881 1.00 0.00 H new ATOM 0 HB2 MET A 48 -3.030 0.073 -5.217 1.00 0.00 H new ATOM 0 HB3 MET A 48 -1.790 -0.125 -6.438 1.00 0.00 H new ATOM 0 HG2 MET A 48 -3.291 -2.563 -5.531 1.00 0.00 H new ATOM 0 HG3 MET A 48 -4.117 -1.418 -6.569 1.00 0.00 H new ATOM 0 HE1 MET A 48 -1.870 -4.840 -7.828 1.00 0.00 H new ATOM 0 HE2 MET A 48 -2.948 -4.432 -6.472 1.00 0.00 H new ATOM 0 HE3 MET A 48 -3.584 -4.472 -8.134 1.00 0.00 H new ATOM 696 N LEU A 49 -0.539 1.030 -3.815 1.00 0.00 N ATOM 697 CA LEU A 49 0.445 2.082 -3.608 1.00 0.00 C ATOM 698 C LEU A 49 1.629 1.563 -2.799 1.00 0.00 C ATOM 699 O LEU A 49 2.688 2.189 -2.763 1.00 0.00 O ATOM 700 CB LEU A 49 -0.185 3.286 -2.903 1.00 0.00 C ATOM 701 CG LEU A 49 -0.932 4.266 -3.816 1.00 0.00 C ATOM 702 CD1 LEU A 49 -0.140 4.538 -5.086 1.00 0.00 C ATOM 703 CD2 LEU A 49 -2.316 3.732 -4.159 1.00 0.00 C ATOM 0 H LEU A 49 -1.461 1.233 -3.430 1.00 0.00 H new ATOM 0 HA LEU A 49 0.804 2.401 -4.587 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -0.879 2.920 -2.146 1.00 0.00 H new ATOM 0 HB3 LEU A 49 0.600 3.831 -2.379 1.00 0.00 H new ATOM 0 HG LEU A 49 -1.047 5.206 -3.277 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -0.691 5.236 -5.716 1.00 0.00 H new ATOM 0 HD12 LEU A 49 0.827 4.969 -4.827 1.00 0.00 H new ATOM 0 HD13 LEU A 49 0.013 3.604 -5.627 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -2.830 4.442 -4.807 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -2.220 2.775 -4.673 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -2.891 3.596 -3.243 1.00 0.00 H new ATOM 715 N LEU A 50 1.437 0.426 -2.135 1.00 0.00 N ATOM 716 CA LEU A 50 2.481 -0.161 -1.309 1.00 0.00 C ATOM 717 C LEU A 50 3.769 -0.396 -2.105 1.00 0.00 C ATOM 718 O LEU A 50 4.851 -0.499 -1.532 1.00 0.00 O ATOM 719 CB LEU A 50 1.993 -1.469 -0.705 1.00 0.00 C ATOM 720 CG LEU A 50 1.227 -1.287 0.595 1.00 0.00 C ATOM 721 CD1 LEU A 50 0.644 -2.605 1.093 1.00 0.00 C ATOM 722 CD2 LEU A 50 2.147 -0.663 1.639 1.00 0.00 C ATOM 0 H LEU A 50 0.566 -0.105 -2.155 1.00 0.00 H new ATOM 0 HA LEU A 50 2.710 0.545 -0.510 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.353 -1.977 -1.427 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.849 -2.119 -0.525 1.00 0.00 H new ATOM 0 HG LEU A 50 0.385 -0.619 0.414 1.00 0.00 H new ATOM 0 HD11 LEU A 50 0.104 -2.435 2.024 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.040 -3.006 0.345 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.451 -3.317 1.266 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.601 -0.531 2.573 1.00 0.00 H new ATOM 0 HD22 LEU A 50 3.002 -1.317 1.808 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.497 0.306 1.283 1.00 0.00 H new ATOM 734 N GLU A 51 3.656 -0.466 -3.429 1.00 0.00 N ATOM 735 CA GLU A 51 4.830 -0.667 -4.277 1.00 0.00 C ATOM 736 C GLU A 51 4.864 0.331 -5.434 1.00 0.00 C ATOM 737 O GLU A 51 5.860 0.420 -6.152 1.00 0.00 O ATOM 738 CB GLU A 51 4.886 -2.099 -4.818 1.00 0.00 C ATOM 739 CG GLU A 51 3.549 -2.639 -5.291 1.00 0.00 C ATOM 740 CD GLU A 51 3.355 -2.486 -6.787 1.00 0.00 C ATOM 741 OE1 GLU A 51 3.505 -1.355 -7.294 1.00 0.00 O ATOM 742 OE2 GLU A 51 3.053 -3.500 -7.453 1.00 0.00 O ATOM 0 H GLU A 51 2.774 -0.388 -3.935 1.00 0.00 H new ATOM 0 HA GLU A 51 5.707 -0.497 -3.652 1.00 0.00 H new ATOM 0 HB2 GLU A 51 5.593 -2.135 -5.647 1.00 0.00 H new ATOM 0 HB3 GLU A 51 5.275 -2.755 -4.039 1.00 0.00 H new ATOM 0 HG2 GLU A 51 3.472 -3.693 -5.024 1.00 0.00 H new ATOM 0 HG3 GLU A 51 2.746 -2.119 -4.769 1.00 0.00 H new ATOM 749 N MET A 52 3.781 1.085 -5.610 1.00 0.00 N ATOM 750 CA MET A 52 3.713 2.074 -6.679 1.00 0.00 C ATOM 751 C MET A 52 4.671 3.228 -6.402 1.00 0.00 C ATOM 752 O MET A 52 5.637 3.434 -7.136 1.00 0.00 O ATOM 753 CB MET A 52 2.284 2.602 -6.828 1.00 0.00 C ATOM 754 CG MET A 52 1.252 1.507 -7.052 1.00 0.00 C ATOM 755 SD MET A 52 0.655 1.450 -8.753 1.00 0.00 S ATOM 756 CE MET A 52 -0.067 -0.188 -8.805 1.00 0.00 C ATOM 0 H MET A 52 2.944 1.030 -5.029 1.00 0.00 H new ATOM 0 HA MET A 52 4.008 1.592 -7.611 1.00 0.00 H new ATOM 0 HB2 MET A 52 2.018 3.164 -5.933 1.00 0.00 H new ATOM 0 HB3 MET A 52 2.249 3.300 -7.664 1.00 0.00 H new ATOM 0 HG2 MET A 52 1.689 0.543 -6.792 1.00 0.00 H new ATOM 0 HG3 MET A 52 0.408 1.666 -6.380 1.00 0.00 H new ATOM 0 HE1 MET A 52 0.458 -0.794 -9.544 1.00 0.00 H new ATOM 0 HE2 MET A 52 0.021 -0.656 -7.824 1.00 0.00 H new ATOM 0 HE3 MET A 52 -1.120 -0.113 -9.078 1.00 0.00 H new ATOM 766 N ASP A 53 4.400 3.977 -5.336 1.00 0.00 N ATOM 767 CA ASP A 53 5.246 5.106 -4.965 1.00 0.00 C ATOM 768 C ASP A 53 5.701 4.993 -3.512 1.00 0.00 C ATOM 769 O ASP A 53 4.915 4.644 -2.633 1.00 0.00 O ATOM 770 CB ASP A 53 4.497 6.423 -5.178 1.00 0.00 C ATOM 771 CG ASP A 53 4.783 7.039 -6.532 1.00 0.00 C ATOM 772 OD1 ASP A 53 4.615 6.336 -7.551 1.00 0.00 O ATOM 773 OD2 ASP A 53 5.175 8.225 -6.575 1.00 0.00 O ATOM 0 H ASP A 53 3.604 3.823 -4.717 1.00 0.00 H new ATOM 0 HA ASP A 53 6.129 5.091 -5.604 1.00 0.00 H new ATOM 0 HB2 ASP A 53 3.426 6.248 -5.081 1.00 0.00 H new ATOM 0 HB3 ASP A 53 4.777 7.128 -4.395 1.00 0.00 H new ATOM 778 N GLN A 54 6.975 5.293 -3.268 1.00 0.00 N ATOM 779 CA GLN A 54 7.532 5.226 -1.921 1.00 0.00 C ATOM 780 C GLN A 54 6.771 6.150 -0.976 1.00 0.00 C ATOM 781 O GLN A 54 6.555 5.829 0.192 1.00 0.00 O ATOM 782 CB GLN A 54 9.016 5.598 -1.936 1.00 0.00 C ATOM 783 CG GLN A 54 9.850 4.812 -0.938 1.00 0.00 C ATOM 784 CD GLN A 54 10.822 5.688 -0.171 1.00 0.00 C ATOM 785 OE1 GLN A 54 11.955 5.901 -0.602 1.00 0.00 O ATOM 786 NE2 GLN A 54 10.382 6.200 0.972 1.00 0.00 N ATOM 0 H GLN A 54 7.639 5.584 -3.985 1.00 0.00 H new ATOM 0 HA GLN A 54 7.430 4.202 -1.562 1.00 0.00 H new ATOM 0 HB2 GLN A 54 9.413 5.434 -2.938 1.00 0.00 H new ATOM 0 HB3 GLN A 54 9.117 6.662 -1.723 1.00 0.00 H new ATOM 0 HG2 GLN A 54 9.188 4.308 -0.234 1.00 0.00 H new ATOM 0 HG3 GLN A 54 10.405 4.036 -1.465 1.00 0.00 H new ATOM 0 HE21 GLN A 54 9.435 5.997 1.291 1.00 0.00 H new ATOM 0 HE22 GLN A 54 10.991 6.797 1.531 1.00 0.00 H new ATOM 795 N THR A 55 6.359 7.295 -1.498 1.00 0.00 N ATOM 796 CA THR A 55 5.601 8.268 -0.723 1.00 0.00 C ATOM 797 C THR A 55 4.193 7.749 -0.458 1.00 0.00 C ATOM 798 O THR A 55 3.678 7.849 0.655 1.00 0.00 O ATOM 799 CB THR A 55 5.537 9.606 -1.460 1.00 0.00 C ATOM 800 OG1 THR A 55 4.829 10.566 -0.695 1.00 0.00 O ATOM 801 CG2 THR A 55 4.868 9.513 -2.813 1.00 0.00 C ATOM 0 H THR A 55 6.538 7.575 -2.462 1.00 0.00 H new ATOM 0 HA THR A 55 6.107 8.419 0.231 1.00 0.00 H new ATOM 0 HB THR A 55 6.575 9.905 -1.607 1.00 0.00 H new ATOM 0 HG1 THR A 55 4.800 11.416 -1.182 1.00 0.00 H new ATOM 0 HG21 THR A 55 4.856 10.497 -3.281 1.00 0.00 H new ATOM 0 HG22 THR A 55 5.420 8.817 -3.445 1.00 0.00 H new ATOM 0 HG23 THR A 55 3.845 9.158 -2.689 1.00 0.00 H new ATOM 809 N GLU A 56 3.574 7.199 -1.502 1.00 0.00 N ATOM 810 CA GLU A 56 2.220 6.664 -1.402 1.00 0.00 C ATOM 811 C GLU A 56 2.178 5.428 -0.511 1.00 0.00 C ATOM 812 O GLU A 56 1.299 5.299 0.334 1.00 0.00 O ATOM 813 CB GLU A 56 1.675 6.328 -2.790 1.00 0.00 C ATOM 814 CG GLU A 56 1.757 7.485 -3.773 1.00 0.00 C ATOM 815 CD GLU A 56 0.730 8.565 -3.491 1.00 0.00 C ATOM 816 OE1 GLU A 56 0.189 8.590 -2.365 1.00 0.00 O ATOM 817 OE2 GLU A 56 0.467 9.384 -4.395 1.00 0.00 O ATOM 0 H GLU A 56 3.992 7.113 -2.429 1.00 0.00 H new ATOM 0 HA GLU A 56 1.592 7.431 -0.949 1.00 0.00 H new ATOM 0 HB2 GLU A 56 2.229 5.480 -3.193 1.00 0.00 H new ATOM 0 HB3 GLU A 56 0.635 6.015 -2.697 1.00 0.00 H new ATOM 0 HG2 GLU A 56 2.756 7.920 -3.734 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.613 7.108 -4.785 1.00 0.00 H new ATOM 824 N VAL A 57 3.134 4.521 -0.698 1.00 0.00 N ATOM 825 CA VAL A 57 3.187 3.301 0.107 1.00 0.00 C ATOM 826 C VAL A 57 3.261 3.645 1.589 1.00 0.00 C ATOM 827 O VAL A 57 2.545 3.073 2.410 1.00 0.00 O ATOM 828 CB VAL A 57 4.417 2.434 -0.258 1.00 0.00 C ATOM 829 CG1 VAL A 57 5.657 3.294 -0.383 1.00 0.00 C ATOM 830 CG2 VAL A 57 4.634 1.330 0.772 1.00 0.00 C ATOM 0 H VAL A 57 3.876 4.605 -1.393 1.00 0.00 H new ATOM 0 HA VAL A 57 2.278 2.738 -0.104 1.00 0.00 H new ATOM 0 HB VAL A 57 4.223 1.964 -1.222 1.00 0.00 H new ATOM 0 HG11 VAL A 57 6.511 2.667 -0.640 1.00 0.00 H new ATOM 0 HG12 VAL A 57 5.506 4.039 -1.164 1.00 0.00 H new ATOM 0 HG13 VAL A 57 5.848 3.796 0.565 1.00 0.00 H new ATOM 0 HG21 VAL A 57 5.504 0.736 0.491 1.00 0.00 H new ATOM 0 HG22 VAL A 57 4.800 1.775 1.753 1.00 0.00 H new ATOM 0 HG23 VAL A 57 3.754 0.688 0.809 1.00 0.00 H new ATOM 840 N LEU A 58 4.136 4.582 1.919 1.00 0.00 N ATOM 841 CA LEU A 58 4.316 5.011 3.292 1.00 0.00 C ATOM 842 C LEU A 58 3.049 5.676 3.821 1.00 0.00 C ATOM 843 O LEU A 58 2.603 5.394 4.931 1.00 0.00 O ATOM 844 CB LEU A 58 5.510 5.976 3.369 1.00 0.00 C ATOM 845 CG LEU A 58 5.497 6.961 4.542 1.00 0.00 C ATOM 846 CD1 LEU A 58 5.583 6.216 5.865 1.00 0.00 C ATOM 847 CD2 LEU A 58 6.641 7.956 4.412 1.00 0.00 C ATOM 0 H LEU A 58 4.735 5.061 1.247 1.00 0.00 H new ATOM 0 HA LEU A 58 4.518 4.140 3.916 1.00 0.00 H new ATOM 0 HB2 LEU A 58 6.426 5.387 3.424 1.00 0.00 H new ATOM 0 HB3 LEU A 58 5.553 6.546 2.441 1.00 0.00 H new ATOM 0 HG LEU A 58 4.557 7.512 4.520 1.00 0.00 H new ATOM 0 HD11 LEU A 58 5.573 6.932 6.687 1.00 0.00 H new ATOM 0 HD12 LEU A 58 4.731 5.543 5.959 1.00 0.00 H new ATOM 0 HD13 LEU A 58 6.507 5.639 5.898 1.00 0.00 H new ATOM 0 HD21 LEU A 58 6.618 8.649 5.253 1.00 0.00 H new ATOM 0 HD22 LEU A 58 7.590 7.421 4.409 1.00 0.00 H new ATOM 0 HD23 LEU A 58 6.535 8.512 3.481 1.00 0.00 H new ATOM 859 N HIS A 59 2.489 6.572 3.020 1.00 0.00 N ATOM 860 CA HIS A 59 1.284 7.307 3.394 1.00 0.00 C ATOM 861 C HIS A 59 0.021 6.440 3.408 1.00 0.00 C ATOM 862 O HIS A 59 -0.806 6.565 4.311 1.00 0.00 O ATOM 863 CB HIS A 59 1.081 8.487 2.443 1.00 0.00 C ATOM 864 CG HIS A 59 2.090 9.579 2.617 1.00 0.00 C ATOM 865 ND1 HIS A 59 3.370 9.356 3.078 1.00 0.00 N ATOM 866 CD2 HIS A 59 2.004 10.911 2.388 1.00 0.00 C ATOM 867 CE1 HIS A 59 4.028 10.499 3.126 1.00 0.00 C ATOM 868 NE2 HIS A 59 3.221 11.459 2.712 1.00 0.00 N ATOM 0 H HIS A 59 2.853 6.810 2.097 1.00 0.00 H new ATOM 0 HA HIS A 59 1.439 7.657 4.415 1.00 0.00 H new ATOM 0 HB2 HIS A 59 1.123 8.126 1.415 1.00 0.00 H new ATOM 0 HB3 HIS A 59 0.083 8.898 2.596 1.00 0.00 H new ATOM 0 HD2 HIS A 59 1.140 11.443 2.019 1.00 0.00 H new ATOM 0 HE1 HIS A 59 5.051 10.627 3.448 1.00 0.00 H new ATOM 0 HE2 HIS A 59 3.463 12.448 2.644 1.00 0.00 H new ATOM 876 N LEU A 60 -0.161 5.612 2.379 1.00 0.00 N ATOM 877 CA LEU A 60 -1.373 4.797 2.273 1.00 0.00 C ATOM 878 C LEU A 60 -1.495 3.735 3.364 1.00 0.00 C ATOM 879 O LEU A 60 -2.562 3.580 3.933 1.00 0.00 O ATOM 880 CB LEU A 60 -1.444 4.124 0.898 1.00 0.00 C ATOM 881 CG LEU A 60 -2.371 4.805 -0.114 1.00 0.00 C ATOM 882 CD1 LEU A 60 -3.777 4.946 0.452 1.00 0.00 C ATOM 883 CD2 LEU A 60 -1.813 6.165 -0.510 1.00 0.00 C ATOM 0 H LEU A 60 0.505 5.488 1.616 1.00 0.00 H new ATOM 0 HA LEU A 60 -2.208 5.485 2.405 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.439 4.086 0.478 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.773 3.094 1.032 1.00 0.00 H new ATOM 0 HG LEU A 60 -2.426 4.180 -1.005 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.418 5.432 -0.283 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -4.176 3.959 0.685 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -3.745 5.548 1.360 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -2.482 6.637 -1.229 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.729 6.795 0.375 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.828 6.037 -0.960 1.00 0.00 H new ATOM 895 N LEU A 61 -0.419 3.017 3.668 1.00 0.00 N ATOM 896 CA LEU A 61 -0.476 1.978 4.704 1.00 0.00 C ATOM 897 C LEU A 61 -0.017 2.529 6.051 1.00 0.00 C ATOM 898 O LEU A 61 0.639 1.833 6.824 1.00 0.00 O ATOM 899 CB LEU A 61 0.374 0.772 4.299 1.00 0.00 C ATOM 900 CG LEU A 61 -0.278 -0.158 3.263 1.00 0.00 C ATOM 901 CD1 LEU A 61 -1.454 -0.933 3.840 1.00 0.00 C ATOM 902 CD2 LEU A 61 -0.728 0.643 2.060 1.00 0.00 C ATOM 0 H LEU A 61 0.492 3.128 3.223 1.00 0.00 H new ATOM 0 HA LEU A 61 -1.512 1.654 4.805 1.00 0.00 H new ATOM 0 HB2 LEU A 61 1.322 1.132 3.898 1.00 0.00 H new ATOM 0 HB3 LEU A 61 0.605 0.192 5.192 1.00 0.00 H new ATOM 0 HG LEU A 61 0.475 -0.886 2.962 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -1.880 -1.575 3.069 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -1.112 -1.545 4.674 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -2.214 -0.234 4.190 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -1.189 -0.023 1.331 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -1.453 1.394 2.374 1.00 0.00 H new ATOM 0 HD23 LEU A 61 0.133 1.136 1.608 1.00 0.00 H new ATOM 914 N GLU A 62 -0.372 3.786 6.326 1.00 0.00 N ATOM 915 CA GLU A 62 0.003 4.428 7.582 1.00 0.00 C ATOM 916 C GLU A 62 -0.970 5.547 7.956 1.00 0.00 C ATOM 917 O GLU A 62 -1.404 5.637 9.105 1.00 0.00 O ATOM 918 CB GLU A 62 1.421 4.995 7.495 1.00 0.00 C ATOM 919 CG GLU A 62 2.490 3.944 7.245 1.00 0.00 C ATOM 920 CD GLU A 62 2.594 2.936 8.373 1.00 0.00 C ATOM 921 OE1 GLU A 62 2.478 3.346 9.548 1.00 0.00 O ATOM 922 OE2 GLU A 62 2.792 1.738 8.083 1.00 0.00 O ATOM 0 H GLU A 62 -0.917 4.376 5.697 1.00 0.00 H new ATOM 0 HA GLU A 62 -0.036 3.664 8.358 1.00 0.00 H new ATOM 0 HB2 GLU A 62 1.458 5.734 6.695 1.00 0.00 H new ATOM 0 HB3 GLU A 62 1.650 5.519 8.423 1.00 0.00 H new ATOM 0 HG2 GLU A 62 2.269 3.421 6.315 1.00 0.00 H new ATOM 0 HG3 GLU A 62 3.454 4.436 7.113 1.00 0.00 H new ATOM 929 N SER A 63 -1.301 6.411 6.995 1.00 0.00 N ATOM 930 CA SER A 63 -2.208 7.524 7.261 1.00 0.00 C ATOM 931 C SER A 63 -3.532 7.365 6.518 1.00 0.00 C ATOM 932 O SER A 63 -3.587 6.756 5.449 1.00 0.00 O ATOM 933 CB SER A 63 -1.550 8.847 6.866 1.00 0.00 C ATOM 934 OG SER A 63 -0.138 8.727 6.841 1.00 0.00 O ATOM 0 H SER A 63 -0.958 6.361 6.036 1.00 0.00 H new ATOM 0 HA SER A 63 -2.420 7.526 8.330 1.00 0.00 H new ATOM 0 HB2 SER A 63 -1.909 9.157 5.885 1.00 0.00 H new ATOM 0 HB3 SER A 63 -1.839 9.626 7.572 1.00 0.00 H new ATOM 0 HG SER A 63 0.259 9.585 6.584 1.00 0.00 H new ATOM 940 N PRO A 64 -4.622 7.922 7.078 1.00 0.00 N ATOM 941 CA PRO A 64 -5.952 7.851 6.470 1.00 0.00 C ATOM 942 C PRO A 64 -6.101 8.821 5.303 1.00 0.00 C ATOM 943 O PRO A 64 -6.639 8.469 4.254 1.00 0.00 O ATOM 944 CB PRO A 64 -6.880 8.247 7.617 1.00 0.00 C ATOM 945 CG PRO A 64 -6.060 9.158 8.463 1.00 0.00 C ATOM 946 CD PRO A 64 -4.638 8.671 8.351 1.00 0.00 C ATOM 0 HA PRO A 64 -6.164 6.867 6.052 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -7.776 8.747 7.248 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -7.211 7.374 8.179 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -6.146 10.189 8.121 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -6.398 9.136 9.499 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -3.931 9.500 8.336 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -4.365 8.035 9.193 1.00 0.00 H new ATOM 954 N ASP A 65 -5.608 10.043 5.491 1.00 0.00 N ATOM 955 CA ASP A 65 -5.673 11.066 4.450 1.00 0.00 C ATOM 956 C ASP A 65 -5.070 10.539 3.151 1.00 0.00 C ATOM 957 O ASP A 65 -5.434 10.968 2.055 1.00 0.00 O ATOM 958 CB ASP A 65 -4.934 12.327 4.907 1.00 0.00 C ATOM 959 CG ASP A 65 -3.427 12.215 4.762 1.00 0.00 C ATOM 960 OD1 ASP A 65 -2.825 11.363 5.448 1.00 0.00 O ATOM 961 OD2 ASP A 65 -2.849 12.980 3.960 1.00 0.00 O ATOM 0 H ASP A 65 -5.159 10.349 6.354 1.00 0.00 H new ATOM 0 HA ASP A 65 -6.718 11.318 4.269 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -5.287 13.179 4.327 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -5.179 12.528 5.950 1.00 0.00 H new ATOM 966 N ALA A 66 -4.147 9.599 3.297 1.00 0.00 N ATOM 967 CA ALA A 66 -3.478 8.989 2.161 1.00 0.00 C ATOM 968 C ALA A 66 -4.475 8.230 1.290 1.00 0.00 C ATOM 969 O ALA A 66 -4.341 8.181 0.068 1.00 0.00 O ATOM 970 CB ALA A 66 -2.382 8.055 2.644 1.00 0.00 C ATOM 0 H ALA A 66 -3.843 9.240 4.202 1.00 0.00 H new ATOM 0 HA ALA A 66 -3.031 9.779 1.557 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -1.886 7.602 1.786 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -1.655 8.619 3.228 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -2.818 7.273 3.265 1.00 0.00 H new ATOM 976 N LEU A 67 -5.468 7.631 1.938 1.00 0.00 N ATOM 977 CA LEU A 67 -6.492 6.859 1.247 1.00 0.00 C ATOM 978 C LEU A 67 -7.316 7.723 0.297 1.00 0.00 C ATOM 979 O LEU A 67 -7.578 7.332 -0.838 1.00 0.00 O ATOM 980 CB LEU A 67 -7.419 6.213 2.275 1.00 0.00 C ATOM 981 CG LEU A 67 -6.724 5.338 3.318 1.00 0.00 C ATOM 982 CD1 LEU A 67 -7.741 4.746 4.281 1.00 0.00 C ATOM 983 CD2 LEU A 67 -5.920 4.238 2.643 1.00 0.00 C ATOM 0 H LEU A 67 -5.585 7.667 2.951 1.00 0.00 H new ATOM 0 HA LEU A 67 -5.989 6.096 0.653 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -7.967 7.001 2.792 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -8.155 5.606 1.747 1.00 0.00 H new ATOM 0 HG LEU A 67 -6.036 5.963 3.888 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -7.228 4.126 5.016 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -8.271 5.551 4.791 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -8.455 4.136 3.727 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -5.433 3.626 3.402 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -6.586 3.615 2.046 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -5.164 4.684 1.996 1.00 0.00 H new ATOM 995 N LYS A 68 -7.734 8.888 0.772 1.00 0.00 N ATOM 996 CA LYS A 68 -8.554 9.797 -0.024 1.00 0.00 C ATOM 997 C LYS A 68 -7.911 10.133 -1.366 1.00 0.00 C ATOM 998 O LYS A 68 -8.604 10.316 -2.368 1.00 0.00 O ATOM 999 CB LYS A 68 -8.814 11.082 0.756 1.00 0.00 C ATOM 1000 CG LYS A 68 -9.769 10.905 1.925 1.00 0.00 C ATOM 1001 CD LYS A 68 -11.099 10.323 1.475 1.00 0.00 C ATOM 1002 CE LYS A 68 -12.126 10.350 2.596 1.00 0.00 C ATOM 1003 NZ LYS A 68 -12.208 9.045 3.307 1.00 0.00 N ATOM 0 H LYS A 68 -7.519 9.229 1.709 1.00 0.00 H new ATOM 0 HA LYS A 68 -9.495 9.287 -0.229 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -7.865 11.468 1.129 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -9.220 11.833 0.078 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -9.317 10.249 2.669 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -9.937 11.868 2.408 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -11.475 10.888 0.622 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -10.953 9.297 1.138 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -11.867 11.135 3.307 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -13.104 10.602 2.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -12.919 9.106 4.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -12.480 8.300 2.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -11.282 8.816 3.721 1.00 0.00 H new ATOM 1017 N ALA A 69 -6.593 10.243 -1.376 1.00 0.00 N ATOM 1018 CA ALA A 69 -5.859 10.591 -2.588 1.00 0.00 C ATOM 1019 C ALA A 69 -5.924 9.513 -3.668 1.00 0.00 C ATOM 1020 O ALA A 69 -6.261 9.792 -4.821 1.00 0.00 O ATOM 1021 CB ALA A 69 -4.412 10.788 -2.222 1.00 0.00 C ATOM 0 H ALA A 69 -6.004 10.096 -0.556 1.00 0.00 H new ATOM 0 HA ALA A 69 -6.319 11.492 -2.994 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -3.843 11.049 -3.114 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -4.328 11.591 -1.490 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -4.016 9.866 -1.796 1.00 0.00 H new ATOM 1027 N LYS A 70 -5.575 8.290 -3.294 1.00 0.00 N ATOM 1028 CA LYS A 70 -5.561 7.179 -4.237 1.00 0.00 C ATOM 1029 C LYS A 70 -6.954 6.635 -4.478 1.00 0.00 C ATOM 1030 O LYS A 70 -7.279 6.204 -5.581 1.00 0.00 O ATOM 1031 CB LYS A 70 -4.651 6.063 -3.726 1.00 0.00 C ATOM 1032 CG LYS A 70 -3.296 6.556 -3.252 1.00 0.00 C ATOM 1033 CD LYS A 70 -2.445 7.053 -4.412 1.00 0.00 C ATOM 1034 CE LYS A 70 -2.674 8.532 -4.684 1.00 0.00 C ATOM 1035 NZ LYS A 70 -3.086 8.781 -6.093 1.00 0.00 N ATOM 0 H LYS A 70 -5.298 8.041 -2.344 1.00 0.00 H new ATOM 0 HA LYS A 70 -5.177 7.556 -5.185 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -5.148 5.547 -2.905 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -4.505 5.331 -4.521 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -3.433 7.360 -2.529 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -2.774 5.750 -2.736 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -1.392 6.883 -4.190 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -2.679 6.478 -5.308 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -3.442 8.910 -4.009 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -1.760 9.086 -4.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -3.788 9.548 -6.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -2.254 9.054 -6.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -3.504 7.916 -6.491 1.00 0.00 H new ATOM 1049 N VAL A 71 -7.766 6.634 -3.438 1.00 0.00 N ATOM 1050 CA VAL A 71 -9.123 6.107 -3.552 1.00 0.00 C ATOM 1051 C VAL A 71 -9.944 6.857 -4.592 1.00 0.00 C ATOM 1052 O VAL A 71 -10.584 6.240 -5.441 1.00 0.00 O ATOM 1053 CB VAL A 71 -9.878 6.108 -2.209 1.00 0.00 C ATOM 1054 CG1 VAL A 71 -9.135 5.277 -1.174 1.00 0.00 C ATOM 1055 CG2 VAL A 71 -10.106 7.528 -1.714 1.00 0.00 C ATOM 0 H VAL A 71 -7.519 6.986 -2.513 1.00 0.00 H new ATOM 0 HA VAL A 71 -9.002 5.073 -3.875 1.00 0.00 H new ATOM 0 HB VAL A 71 -10.855 5.652 -2.367 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -9.685 5.291 -0.233 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -9.047 4.250 -1.527 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -8.140 5.694 -1.019 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -10.641 7.501 -0.765 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -9.145 8.024 -1.575 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -10.696 8.079 -2.447 1.00 0.00 H new ATOM 1065 N ALA A 72 -9.933 8.181 -4.533 1.00 0.00 N ATOM 1066 CA ALA A 72 -10.697 8.973 -5.487 1.00 0.00 C ATOM 1067 C ALA A 72 -10.295 8.637 -6.920 1.00 0.00 C ATOM 1068 O ALA A 72 -11.151 8.421 -7.779 1.00 0.00 O ATOM 1069 CB ALA A 72 -10.503 10.457 -5.216 1.00 0.00 C ATOM 0 H ALA A 72 -9.411 8.724 -3.845 1.00 0.00 H new ATOM 0 HA ALA A 72 -11.752 8.729 -5.365 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -11.080 11.037 -5.937 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -10.843 10.690 -4.207 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -9.447 10.709 -5.310 1.00 0.00 H new ATOM 1075 N GLU A 73 -8.992 8.590 -7.170 1.00 0.00 N ATOM 1076 CA GLU A 73 -8.482 8.275 -8.500 1.00 0.00 C ATOM 1077 C GLU A 73 -8.622 6.788 -8.837 1.00 0.00 C ATOM 1078 O GLU A 73 -9.112 6.428 -9.907 1.00 0.00 O ATOM 1079 CB GLU A 73 -7.015 8.694 -8.613 1.00 0.00 C ATOM 1080 CG GLU A 73 -6.779 10.167 -8.320 1.00 0.00 C ATOM 1081 CD GLU A 73 -5.336 10.579 -8.534 1.00 0.00 C ATOM 1082 OE1 GLU A 73 -4.449 9.704 -8.448 1.00 0.00 O ATOM 1083 OE2 GLU A 73 -5.093 11.778 -8.786 1.00 0.00 O ATOM 0 H GLU A 73 -8.270 8.766 -6.471 1.00 0.00 H new ATOM 0 HA GLU A 73 -9.083 8.834 -9.217 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -6.420 8.095 -7.923 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -6.658 8.470 -9.618 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -7.424 10.769 -8.960 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -7.065 10.379 -7.290 1.00 0.00 H new ATOM 1090 N ALA A 74 -8.151 5.934 -7.932 1.00 0.00 N ATOM 1091 CA ALA A 74 -8.181 4.487 -8.141 1.00 0.00 C ATOM 1092 C ALA A 74 -9.589 3.894 -8.114 1.00 0.00 C ATOM 1093 O ALA A 74 -9.977 3.174 -9.034 1.00 0.00 O ATOM 1094 CB ALA A 74 -7.305 3.795 -7.104 1.00 0.00 C ATOM 0 H ALA A 74 -7.742 6.220 -7.042 1.00 0.00 H new ATOM 0 HA ALA A 74 -7.792 4.311 -9.144 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -7.332 2.717 -7.266 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -6.279 4.151 -7.199 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -7.676 4.021 -6.105 1.00 0.00 H new ATOM 1100 N MET A 75 -10.344 4.167 -7.053 1.00 0.00 N ATOM 1101 CA MET A 75 -11.687 3.620 -6.920 1.00 0.00 C ATOM 1102 C MET A 75 -12.587 4.022 -8.082 1.00 0.00 C ATOM 1103 O MET A 75 -13.375 3.216 -8.565 1.00 0.00 O ATOM 1104 CB MET A 75 -12.315 4.076 -5.605 1.00 0.00 C ATOM 1105 CG MET A 75 -11.512 3.680 -4.378 1.00 0.00 C ATOM 1106 SD MET A 75 -12.513 3.627 -2.879 1.00 0.00 S ATOM 1107 CE MET A 75 -13.351 5.209 -2.974 1.00 0.00 C ATOM 0 H MET A 75 -10.049 4.761 -6.278 1.00 0.00 H new ATOM 0 HA MET A 75 -11.595 2.534 -6.928 1.00 0.00 H new ATOM 0 HB2 MET A 75 -12.426 5.160 -5.622 1.00 0.00 H new ATOM 0 HB3 MET A 75 -13.317 3.654 -5.525 1.00 0.00 H new ATOM 0 HG2 MET A 75 -11.061 2.701 -4.544 1.00 0.00 H new ATOM 0 HG3 MET A 75 -10.695 4.388 -4.240 1.00 0.00 H new ATOM 0 HE1 MET A 75 -13.513 5.596 -1.968 1.00 0.00 H new ATOM 0 HE2 MET A 75 -12.738 5.912 -3.539 1.00 0.00 H new ATOM 0 HE3 MET A 75 -14.312 5.082 -3.473 1.00 0.00 H new ATOM 1117 N GLU A 76 -12.472 5.269 -8.520 1.00 0.00 N ATOM 1118 CA GLU A 76 -13.293 5.771 -9.618 1.00 0.00 C ATOM 1119 C GLU A 76 -13.068 4.978 -10.904 1.00 0.00 C ATOM 1120 O GLU A 76 -14.018 4.648 -11.614 1.00 0.00 O ATOM 1121 CB GLU A 76 -12.994 7.251 -9.864 1.00 0.00 C ATOM 1122 CG GLU A 76 -13.846 8.193 -9.028 1.00 0.00 C ATOM 1123 CD GLU A 76 -14.883 8.929 -9.854 1.00 0.00 C ATOM 1124 OE1 GLU A 76 -14.493 9.629 -10.811 1.00 0.00 O ATOM 1125 OE2 GLU A 76 -16.087 8.805 -9.543 1.00 0.00 O ATOM 0 H GLU A 76 -11.820 5.952 -8.134 1.00 0.00 H new ATOM 0 HA GLU A 76 -14.337 5.651 -9.329 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -11.942 7.441 -9.651 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -13.150 7.474 -10.919 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -14.347 7.625 -8.245 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -13.200 8.918 -8.532 1.00 0.00 H new ATOM 1132 N VAL A 77 -11.807 4.694 -11.208 1.00 0.00 N ATOM 1133 CA VAL A 77 -11.456 3.962 -12.422 1.00 0.00 C ATOM 1134 C VAL A 77 -11.767 2.468 -12.319 1.00 0.00 C ATOM 1135 O VAL A 77 -12.141 1.841 -13.311 1.00 0.00 O ATOM 1136 CB VAL A 77 -9.965 4.147 -12.772 1.00 0.00 C ATOM 1137 CG1 VAL A 77 -9.080 3.621 -11.652 1.00 0.00 C ATOM 1138 CG2 VAL A 77 -9.632 3.463 -14.093 1.00 0.00 C ATOM 0 H VAL A 77 -11.009 4.959 -10.631 1.00 0.00 H new ATOM 0 HA VAL A 77 -12.074 4.382 -13.216 1.00 0.00 H new ATOM 0 HB VAL A 77 -9.771 5.214 -12.885 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -8.033 3.761 -11.919 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -9.296 4.165 -10.732 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -9.277 2.560 -11.501 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -8.576 3.606 -14.321 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -9.845 2.397 -14.015 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -10.237 3.896 -14.890 1.00 0.00 H new ATOM 1148 N LEU A 78 -11.591 1.892 -11.134 1.00 0.00 N ATOM 1149 CA LEU A 78 -11.838 0.465 -10.946 1.00 0.00 C ATOM 1150 C LEU A 78 -13.309 0.170 -10.664 1.00 0.00 C ATOM 1151 O LEU A 78 -13.758 -0.967 -10.813 1.00 0.00 O ATOM 1152 CB LEU A 78 -10.969 -0.083 -9.812 1.00 0.00 C ATOM 1153 CG LEU A 78 -11.118 0.637 -8.471 1.00 0.00 C ATOM 1154 CD1 LEU A 78 -12.103 -0.097 -7.578 1.00 0.00 C ATOM 1155 CD2 LEU A 78 -9.767 0.766 -7.781 1.00 0.00 C ATOM 0 H LEU A 78 -11.281 2.385 -10.296 1.00 0.00 H new ATOM 0 HA LEU A 78 -11.573 -0.033 -11.879 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -11.208 -1.137 -9.669 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -9.924 -0.032 -10.119 1.00 0.00 H new ATOM 0 HG LEU A 78 -11.505 1.638 -8.660 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -12.196 0.430 -6.628 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -13.076 -0.138 -8.067 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -11.745 -1.110 -7.397 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -9.893 1.281 -6.828 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -9.352 -0.226 -7.605 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -9.088 1.336 -8.415 1.00 0.00 H new ATOM 1167 N ARG A 79 -14.061 1.187 -10.254 1.00 0.00 N ATOM 1168 CA ARG A 79 -15.451 1.033 -9.955 1.00 0.00 C ATOM 1169 C ARG A 79 -16.266 0.872 -11.240 1.00 0.00 C ATOM 1170 O ARG A 79 -17.158 0.028 -11.319 1.00 0.00 O ATOM 1171 CB ARG A 79 -15.867 2.263 -9.156 1.00 0.00 C ATOM 1172 CG ARG A 79 -17.241 2.788 -9.471 1.00 0.00 C ATOM 1173 CD ARG A 79 -18.096 2.910 -8.220 1.00 0.00 C ATOM 1174 NE ARG A 79 -19.489 2.543 -8.470 1.00 0.00 N ATOM 1175 CZ ARG A 79 -20.377 3.355 -9.039 1.00 0.00 C ATOM 1176 NH1 ARG A 79 -20.024 4.577 -9.420 1.00 0.00 N ATOM 1177 NH2 ARG A 79 -21.623 2.944 -9.229 1.00 0.00 N ATOM 0 H ARG A 79 -13.708 2.135 -10.125 1.00 0.00 H new ATOM 0 HA ARG A 79 -15.636 0.132 -9.371 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -15.821 2.021 -8.094 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -15.141 3.056 -9.334 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -17.157 3.763 -9.951 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -17.730 2.123 -10.183 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -17.687 2.270 -7.438 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -18.052 3.934 -7.849 1.00 0.00 H new ATOM 0 HE ARG A 79 -19.798 1.611 -8.192 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -19.067 4.899 -9.277 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -20.710 5.194 -9.855 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -21.900 2.006 -8.939 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -22.304 3.566 -9.665 1.00 0.00 H new ATOM 1191 N SER A 80 -15.954 1.691 -12.240 1.00 0.00 N ATOM 1192 CA SER A 80 -16.659 1.643 -13.515 1.00 0.00 C ATOM 1193 C SER A 80 -15.885 2.381 -14.602 1.00 0.00 C ATOM 1194 O SER A 80 -15.361 3.472 -14.372 1.00 0.00 O ATOM 1195 CB SER A 80 -18.054 2.253 -13.370 1.00 0.00 C ATOM 1196 OG SER A 80 -18.752 1.677 -12.280 1.00 0.00 O ATOM 0 H SER A 80 -15.218 2.395 -12.191 1.00 0.00 H new ATOM 0 HA SER A 80 -16.749 0.597 -13.808 1.00 0.00 H new ATOM 0 HB2 SER A 80 -17.970 3.330 -13.224 1.00 0.00 H new ATOM 0 HB3 SER A 80 -18.619 2.099 -14.290 1.00 0.00 H new ATOM 0 HG SER A 80 -18.486 0.739 -12.180 1.00 0.00 H new ATOM 1202 N ALA A 81 -15.824 1.783 -15.788 1.00 0.00 N ATOM 1203 CA ALA A 81 -15.122 2.382 -16.919 1.00 0.00 C ATOM 1204 C ALA A 81 -13.718 2.839 -16.528 1.00 0.00 C ATOM 1205 O ALA A 81 -13.218 2.493 -15.458 1.00 0.00 O ATOM 1206 CB ALA A 81 -15.922 3.552 -17.473 1.00 0.00 C ATOM 0 H ALA A 81 -16.254 0.881 -15.991 1.00 0.00 H new ATOM 0 HA ALA A 81 -15.021 1.620 -17.692 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -15.388 3.991 -18.316 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -16.899 3.200 -17.805 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -16.053 4.304 -16.695 1.00 0.00 H new ATOM 1212 N GLN A 82 -13.090 3.617 -17.404 1.00 0.00 N ATOM 1213 CA GLN A 82 -11.748 4.122 -17.156 1.00 0.00 C ATOM 1214 C GLN A 82 -11.790 5.608 -16.805 1.00 0.00 C ATOM 1215 O GLN A 82 -12.769 6.296 -17.093 1.00 0.00 O ATOM 1216 CB GLN A 82 -10.865 3.883 -18.387 1.00 0.00 C ATOM 1217 CG GLN A 82 -9.602 4.730 -18.418 1.00 0.00 C ATOM 1218 CD GLN A 82 -8.754 4.469 -19.647 1.00 0.00 C ATOM 1219 OE1 GLN A 82 -9.135 3.695 -20.525 1.00 0.00 O ATOM 1220 NE2 GLN A 82 -7.596 5.117 -19.716 1.00 0.00 N ATOM 0 H GLN A 82 -13.492 3.911 -18.294 1.00 0.00 H new ATOM 0 HA GLN A 82 -11.321 3.586 -16.308 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -10.585 2.830 -18.421 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -11.449 4.087 -19.285 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -9.876 5.785 -18.387 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -9.012 4.528 -17.524 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -7.320 5.749 -18.965 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -6.983 4.982 -20.520 1.00 0.00 H new ATOM 1229 N GLN A 83 -10.721 6.096 -16.184 1.00 0.00 N ATOM 1230 CA GLN A 83 -10.637 7.497 -15.794 1.00 0.00 C ATOM 1231 C GLN A 83 -10.656 8.405 -17.021 1.00 0.00 C ATOM 1232 O GLN A 83 -9.651 8.545 -17.718 1.00 0.00 O ATOM 1233 CB GLN A 83 -9.365 7.747 -14.980 1.00 0.00 C ATOM 1234 CG GLN A 83 -9.548 8.760 -13.863 1.00 0.00 C ATOM 1235 CD GLN A 83 -9.606 10.187 -14.373 1.00 0.00 C ATOM 1236 OE1 GLN A 83 -8.591 10.882 -14.427 1.00 0.00 O ATOM 1237 NE2 GLN A 83 -10.799 10.631 -14.752 1.00 0.00 N ATOM 0 H GLN A 83 -9.901 5.541 -15.940 1.00 0.00 H new ATOM 0 HA GLN A 83 -11.506 7.729 -15.178 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -9.026 6.804 -14.552 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -8.578 8.094 -15.649 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -10.466 8.535 -13.320 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -8.726 8.665 -13.153 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -11.614 10.020 -14.690 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -10.900 11.583 -15.105 1.00 0.00 H new ATOM 1246 N HIS A 84 -11.806 9.018 -17.279 1.00 0.00 N ATOM 1247 CA HIS A 84 -11.956 9.912 -18.421 1.00 0.00 C ATOM 1248 C HIS A 84 -11.683 9.175 -19.729 1.00 0.00 C ATOM 1249 O HIS A 84 -10.531 9.016 -20.135 1.00 0.00 O ATOM 1250 CB HIS A 84 -11.011 11.108 -18.287 1.00 0.00 C ATOM 1251 CG HIS A 84 -11.671 12.332 -17.734 1.00 0.00 C ATOM 1252 ND1 HIS A 84 -12.617 12.292 -16.732 1.00 0.00 N ATOM 1253 CD2 HIS A 84 -11.517 13.642 -18.048 1.00 0.00 C ATOM 1254 CE1 HIS A 84 -13.018 13.519 -16.454 1.00 0.00 C ATOM 1255 NE2 HIS A 84 -12.365 14.356 -17.238 1.00 0.00 N ATOM 0 H HIS A 84 -12.648 8.912 -16.713 1.00 0.00 H new ATOM 0 HA HIS A 84 -12.985 10.272 -18.437 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -10.177 10.832 -17.642 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -10.592 11.342 -19.266 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -10.852 14.048 -18.796 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -13.754 13.791 -15.712 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -12.473 15.370 -17.242 1.00 0.00 H new ATOM 1263 N THR A 85 -12.748 8.727 -20.385 1.00 0.00 N ATOM 1264 CA THR A 85 -12.623 8.007 -21.646 1.00 0.00 C ATOM 1265 C THR A 85 -11.799 6.736 -21.469 1.00 0.00 C ATOM 1266 O THR A 85 -11.714 5.948 -22.434 1.00 0.00 O ATOM 1267 CB THR A 85 -11.980 8.902 -22.707 1.00 0.00 C ATOM 1268 OG1 THR A 85 -12.186 10.269 -22.401 1.00 0.00 O ATOM 1269 CG2 THR A 85 -12.517 8.657 -24.101 1.00 0.00 C ATOM 1270 OXT THR A 85 -11.244 6.541 -20.367 1.00 0.00 O ATOM 0 H THR A 85 -13.708 8.850 -20.064 1.00 0.00 H new ATOM 0 HA THR A 85 -13.623 7.726 -21.975 1.00 0.00 H new ATOM 0 HB THR A 85 -10.920 8.650 -22.694 1.00 0.00 H new ATOM 0 HG1 THR A 85 -11.766 10.825 -23.090 1.00 0.00 H new ATOM 0 HG21 THR A 85 -12.019 9.324 -24.805 1.00 0.00 H new ATOM 0 HG22 THR A 85 -12.329 7.622 -24.387 1.00 0.00 H new ATOM 0 HG23 THR A 85 -13.590 8.848 -24.116 1.00 0.00 H new TER 1278 THR A 85