USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 586 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 55 THR OG1 : rot 125:sc= 0.433 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 0.396 USER MOD Set 2.1: A 22 THR OG1 : rot 180:sc= 0.133 USER MOD Set 2.2: A 25 ASN : amide:sc= 0.127 X(o=0.26,f=0.66) USER MOD Set 3.1: A 6 LYS NZ :NH3+ 159:sc= 1.2 (180deg=-0.38) USER MOD Set 3.2: A 12 THR OG1 : rot 165:sc= 1.07 USER MOD Single : A 1 MET CE :methyl -140:sc= -0.0692 (180deg=-1.07) USER MOD Single : A 1 MET N :NH3+ -159:sc= 2.25 (180deg=2.04) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.007) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.524 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 142:sc= 1.22 (180deg=-0.837!) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -135:sc= 1.17 (180deg=-0.435) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 33 LYS NZ :NH3+ -111:sc= 0.237 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-0.97!) USER MOD Single : A 41 GLN : amide:sc= 1.57 K(o=1.6,f=-3.6!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.061) USER MOD Single : A 59 TYR OH : rot 30:sc= 0.745 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.00049) USER MOD Single : A 62 GLN : amide:sc= -0.108 K(o=-0.11,f=-0.78) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 87:sc= 0.0715 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=-0.03) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.801 -7.111 -5.468 1.00 9.67 N ATOM 2 CA MET A 1 10.894 -6.921 -3.952 1.00 10.38 C ATOM 3 C MET A 1 9.686 -7.375 -3.209 1.00 9.62 C ATOM 4 O MET A 1 8.612 -6.719 -3.331 1.00 9.62 O ATOM 5 CB MET A 1 11.177 -5.430 -3.591 1.00 13.77 C ATOM 6 CG MET A 1 11.402 -5.035 -2.151 1.00 16.29 C ATOM 7 SD MET A 1 11.933 -3.260 -2.027 1.00 17.17 S ATOM 8 CE MET A 1 10.252 -2.579 -1.973 1.00 16.11 C ATOM 0 H1 MET A 1 11.758 -7.119 -5.876 1.00 9.67 H new ATOM 0 H2 MET A 1 10.328 -8.014 -5.676 1.00 9.67 H new ATOM 0 H3 MET A 1 10.254 -6.330 -5.883 1.00 9.67 H new ATOM 0 HA MET A 1 11.724 -7.554 -3.639 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.058 -5.121 -4.154 1.00 13.77 H new ATOM 0 HB3 MET A 1 10.338 -4.841 -3.962 1.00 13.77 H new ATOM 0 HG2 MET A 1 10.485 -5.185 -1.581 1.00 16.29 H new ATOM 0 HG3 MET A 1 12.162 -5.678 -1.708 1.00 16.29 H new ATOM 0 HE1 MET A 1 10.209 -1.668 -2.570 1.00 16.11 H new ATOM 0 HE2 MET A 1 9.550 -3.310 -2.375 1.00 16.11 H new ATOM 0 HE3 MET A 1 9.986 -2.349 -0.941 1.00 16.11 H new ATOM 20 N GLN A 2 9.698 -8.481 -2.401 1.00 9.27 N ATOM 21 CA GLN A 2 8.588 -8.950 -1.615 1.00 9.07 C ATOM 22 C GLN A 2 8.211 -7.889 -0.512 1.00 8.72 C ATOM 23 O GLN A 2 9.048 -7.339 0.217 1.00 8.22 O ATOM 24 CB GLN A 2 8.916 -10.302 -0.897 1.00 14.46 C ATOM 25 CG GLN A 2 7.726 -11.031 -0.298 1.00 17.01 C ATOM 26 CD GLN A 2 7.980 -12.468 -0.074 1.00 20.10 C ATOM 27 OE1 GLN A 2 8.517 -12.907 0.924 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.791 -13.171 -1.196 1.00 19.49 N ATOM 0 H GLN A 2 10.526 -9.067 -2.299 1.00 9.27 H new ATOM 0 HA GLN A 2 7.755 -9.102 -2.302 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.403 -10.964 -1.613 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.637 -10.106 -0.103 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.460 -10.563 0.650 1.00 17.01 H new ATOM 0 HG3 GLN A 2 6.868 -10.919 -0.960 1.00 17.01 H new ATOM 0 HE21 GLN A 2 7.332 -12.738 -1.998 1.00 19.49 H new ATOM 0 HE22 GLN A 2 8.106 -14.140 -1.250 1.00 19.49 H new ATOM 37 N ILE A 3 6.870 -7.647 -0.340 1.00 5.87 N ATOM 38 CA ILE A 3 6.438 -6.953 0.836 1.00 5.07 C ATOM 39 C ILE A 3 5.029 -7.510 1.240 1.00 4.01 C ATOM 40 O ILE A 3 4.353 -8.136 0.388 1.00 4.61 O ATOM 41 CB ILE A 3 6.299 -5.432 0.684 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.600 -5.068 -0.638 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.682 -4.760 0.893 1.00 5.58 C ATOM 44 CD1 ILE A 3 5.535 -3.480 -0.747 1.00 10.83 C ATOM 0 H ILE A 3 6.132 -7.922 -0.988 1.00 5.87 H new ATOM 0 HA ILE A 3 7.213 -7.123 1.583 1.00 5.07 H new ATOM 0 HB ILE A 3 5.645 -5.033 1.459 1.00 6.55 H new ATOM 0 HG12 ILE A 3 6.146 -5.485 -1.484 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.596 -5.492 -0.666 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.582 -3.680 0.785 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.052 -4.992 1.892 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.385 -5.135 0.149 1.00 5.58 H new ATOM 0 HD11 ILE A 3 5.043 -3.199 -1.678 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.972 -3.080 0.096 1.00 10.83 H new ATOM 0 HD13 ILE A 3 6.546 -3.073 -0.734 1.00 10.83 H new ATOM 56 N PHE A 4 4.602 -7.448 2.547 1.00 4.55 N ATOM 57 CA PHE A 4 3.331 -8.001 3.072 1.00 4.68 C ATOM 58 C PHE A 4 2.396 -6.893 3.441 1.00 5.30 C ATOM 59 O PHE A 4 2.711 -5.957 4.152 1.00 5.58 O ATOM 60 CB PHE A 4 3.697 -8.778 4.365 1.00 4.83 C ATOM 61 CG PHE A 4 4.890 -9.754 4.201 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.971 -10.700 3.102 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.996 -9.702 5.086 1.00 8.34 C ATOM 64 CE1 PHE A 4 6.072 -11.546 2.992 1.00 9.10 C ATOM 65 CE2 PHE A 4 7.125 -10.560 4.972 1.00 10.61 C ATOM 66 CZ PHE A 4 7.126 -11.453 3.904 1.00 8.90 C ATOM 0 H PHE A 4 5.158 -6.996 3.273 1.00 4.55 H new ATOM 0 HA PHE A 4 2.849 -8.632 2.325 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.933 -8.062 5.152 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.824 -9.340 4.697 1.00 4.83 H new ATOM 0 HD1 PHE A 4 4.178 -10.747 2.370 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.981 -8.976 5.885 1.00 8.34 H new ATOM 0 HE1 PHE A 4 6.111 -12.277 2.198 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.941 -10.521 5.679 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.979 -12.102 3.775 1.00 8.90 H new ATOM 76 N VAL A 5 1.103 -6.871 3.061 1.00 4.44 N ATOM 77 CA VAL A 5 0.127 -5.925 3.516 1.00 3.87 C ATOM 78 C VAL A 5 -0.905 -6.569 4.392 1.00 4.93 C ATOM 79 O VAL A 5 -1.287 -7.715 4.159 1.00 6.84 O ATOM 80 CB VAL A 5 -0.583 -5.248 2.309 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.414 -3.987 2.736 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.499 -4.811 1.297 1.00 9.13 C ATOM 0 H VAL A 5 0.719 -7.548 2.402 1.00 4.44 H new ATOM 0 HA VAL A 5 0.659 -5.174 4.100 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.277 -5.968 1.875 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -1.890 -3.551 1.858 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.179 -4.282 3.455 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -0.751 -3.252 3.192 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.024 -4.333 0.440 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.180 -4.107 1.774 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.057 -5.685 0.961 1.00 9.13 H new ATOM 92 N LYS A 6 -1.313 -5.875 5.417 1.00 6.04 N ATOM 93 CA LYS A 6 -2.288 -6.298 6.354 1.00 6.12 C ATOM 94 C LYS A 6 -3.528 -5.475 6.102 1.00 6.57 C ATOM 95 O LYS A 6 -3.426 -4.247 6.038 1.00 5.76 O ATOM 96 CB LYS A 6 -1.746 -6.270 7.781 1.00 7.45 C ATOM 97 CG LYS A 6 -0.531 -7.178 7.961 1.00 11.12 C ATOM 98 CD LYS A 6 -0.883 -8.660 7.996 1.00 14.54 C ATOM 99 CE LYS A 6 0.444 -9.462 8.133 1.00 18.84 C ATOM 100 NZ LYS A 6 0.204 -10.907 8.218 1.00 20.55 N ATOM 0 H LYS A 6 -0.946 -4.946 5.623 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.557 -7.346 6.225 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.474 -5.248 8.043 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.532 -6.578 8.471 1.00 7.45 H new ATOM 0 HG2 LYS A 6 0.171 -6.998 7.147 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -0.021 -6.911 8.887 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -1.547 -8.875 8.833 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -1.411 -8.949 7.087 1.00 14.54 H new ATOM 0 HE2 LYS A 6 1.086 -9.250 7.278 1.00 18.84 H new ATOM 0 HE3 LYS A 6 0.979 -9.130 9.023 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 1.070 -11.419 7.954 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -0.063 -11.158 9.191 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.565 -11.170 7.569 1.00 20.55 H new ATOM 114 N THR A 7 -4.700 -6.107 5.932 1.00 7.41 N ATOM 115 CA THR A 7 -5.900 -5.367 5.463 1.00 7.48 C ATOM 116 C THR A 7 -6.821 -4.989 6.630 1.00 8.75 C ATOM 117 O THR A 7 -6.718 -5.574 7.706 1.00 8.58 O ATOM 118 CB THR A 7 -6.698 -6.091 4.394 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.443 -7.236 4.755 1.00 11.78 O ATOM 120 CG2 THR A 7 -5.720 -6.481 3.255 1.00 9.17 C ATOM 0 H THR A 7 -4.850 -7.101 6.105 1.00 7.41 H new ATOM 0 HA THR A 7 -5.505 -4.462 5.001 1.00 7.48 H new ATOM 0 HB THR A 7 -7.470 -5.373 4.117 1.00 9.61 H new ATOM 0 HG1 THR A 7 -7.903 -7.590 3.965 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.266 -7.004 2.470 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.265 -5.581 2.842 1.00 9.17 H new ATOM 0 HG23 THR A 7 -4.941 -7.132 3.651 1.00 9.17 H new ATOM 128 N LEU A 8 -7.788 -4.062 6.469 1.00 9.84 N ATOM 129 CA LEU A 8 -8.732 -3.684 7.506 1.00 14.15 C ATOM 130 C LEU A 8 -9.516 -4.912 8.090 1.00 17.37 C ATOM 131 O LEU A 8 -9.630 -5.062 9.293 1.00 17.01 O ATOM 132 CB LEU A 8 -9.711 -2.671 6.938 1.00 16.63 C ATOM 133 CG LEU A 8 -10.719 -2.001 7.877 1.00 18.88 C ATOM 134 CD1 LEU A 8 -10.050 -1.105 8.882 1.00 19.31 C ATOM 135 CD2 LEU A 8 -11.865 -1.286 7.069 1.00 18.59 C ATOM 0 H LEU A 8 -7.925 -3.555 5.595 1.00 9.84 H new ATOM 0 HA LEU A 8 -8.164 -3.252 8.330 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -9.128 -1.881 6.464 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.276 -3.167 6.149 1.00 16.63 H new ATOM 0 HG LEU A 8 -11.199 -2.785 8.463 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -10.805 -0.653 9.525 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -9.360 -1.691 9.489 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -9.500 -0.321 8.361 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -12.564 -0.820 7.764 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -11.433 -0.522 6.423 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -12.393 -2.020 6.460 1.00 18.59 H new ATOM 147 N THR A 9 -10.050 -5.819 7.201 1.00 18.33 N ATOM 148 CA THR A 9 -10.802 -6.960 7.581 1.00 19.24 C ATOM 149 C THR A 9 -9.945 -8.254 7.741 1.00 19.48 C ATOM 150 O THR A 9 -10.458 -9.370 7.876 1.00 23.14 O ATOM 151 CB THR A 9 -12.042 -7.279 6.777 1.00 18.97 C ATOM 152 OG1 THR A 9 -11.802 -7.619 5.433 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.879 -5.978 6.907 1.00 19.70 C ATOM 0 H THR A 9 -9.939 -5.730 6.191 1.00 18.33 H new ATOM 0 HA THR A 9 -11.164 -6.630 8.555 1.00 19.24 H new ATOM 0 HB THR A 9 -12.541 -8.172 7.153 1.00 18.97 H new ATOM 0 HG1 THR A 9 -12.653 -7.811 4.987 1.00 20.24 H new ATOM 0 HG21 THR A 9 -13.814 -6.090 6.358 1.00 19.70 H new ATOM 0 HG22 THR A 9 -13.096 -5.789 7.958 1.00 19.70 H new ATOM 0 HG23 THR A 9 -12.315 -5.140 6.496 1.00 19.70 H new ATOM 161 N GLY A 10 -8.639 -8.066 7.919 1.00 19.43 N ATOM 162 CA GLY A 10 -7.773 -9.038 8.530 1.00 18.74 C ATOM 163 C GLY A 10 -7.091 -10.022 7.598 1.00 17.62 C ATOM 164 O GLY A 10 -6.718 -11.116 8.034 1.00 19.74 O ATOM 0 H GLY A 10 -8.157 -7.214 7.633 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -7.002 -8.505 9.086 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -8.356 -9.605 9.256 1.00 18.74 H new ATOM 168 N LYS A 11 -6.864 -9.664 6.361 1.00 13.56 N ATOM 169 CA LYS A 11 -6.185 -10.469 5.391 1.00 11.91 C ATOM 170 C LYS A 11 -4.751 -10.041 5.242 1.00 10.18 C ATOM 171 O LYS A 11 -4.335 -8.960 5.733 1.00 9.10 O ATOM 172 CB LYS A 11 -6.894 -10.367 4.004 1.00 13.43 C ATOM 173 CG LYS A 11 -6.605 -11.439 2.978 1.00 16.69 C ATOM 174 CD LYS A 11 -7.557 -11.403 1.729 1.00 17.92 C ATOM 175 CE LYS A 11 -7.418 -12.653 0.901 1.00 20.81 C ATOM 176 NZ LYS A 11 -8.302 -12.639 -0.219 1.00 21.93 N ATOM 0 H LYS A 11 -7.163 -8.762 5.990 1.00 13.56 H new ATOM 0 HA LYS A 11 -6.213 -11.501 5.742 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.970 -10.354 4.179 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.631 -9.405 3.565 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.574 -11.334 2.639 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.686 -12.415 3.455 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.590 -11.296 2.059 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.326 -10.531 1.117 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -6.389 -12.748 0.553 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -7.627 -13.526 1.520 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -7.826 -13.060 -1.042 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -9.156 -13.189 0.006 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.570 -11.658 -0.438 1.00 21.93 H new ATOM 190 N THR A 12 -3.888 -10.889 4.655 1.00 9.63 N ATOM 191 CA THR A 12 -2.471 -10.705 4.479 1.00 9.85 C ATOM 192 C THR A 12 -2.266 -10.771 3.002 1.00 11.66 C ATOM 193 O THR A 12 -2.592 -11.807 2.424 1.00 12.33 O ATOM 194 CB THR A 12 -1.569 -11.744 5.100 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.737 -11.825 6.542 1.00 10.91 O ATOM 196 CG2 THR A 12 -0.044 -11.486 4.909 1.00 9.63 C ATOM 0 H THR A 12 -4.204 -11.779 4.270 1.00 9.63 H new ATOM 0 HA THR A 12 -2.201 -9.772 4.973 1.00 9.85 H new ATOM 0 HB THR A 12 -1.871 -12.652 4.579 1.00 10.85 H new ATOM 0 HG1 THR A 12 -1.329 -12.652 6.873 1.00 10.91 H new ATOM 0 HG21 THR A 12 0.523 -12.284 5.389 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.191 -11.463 3.845 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.223 -10.530 5.360 1.00 9.63 H new ATOM 204 N ILE A 13 -1.701 -9.702 2.431 1.00 10.42 N ATOM 205 CA ILE A 13 -1.451 -9.708 0.969 1.00 11.84 C ATOM 206 C ILE A 13 0.001 -9.666 0.692 1.00 10.55 C ATOM 207 O ILE A 13 0.603 -8.607 0.881 1.00 11.92 O ATOM 208 CB ILE A 13 -2.095 -8.465 0.276 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.568 -8.147 0.743 1.00 14.87 C ATOM 210 CG2 ILE A 13 -2.197 -8.747 -1.238 1.00 17.08 C ATOM 211 CD1 ILE A 13 -4.120 -6.840 0.195 1.00 16.46 C ATOM 0 H ILE A 13 -1.416 -8.855 2.923 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.894 -10.623 0.577 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.457 -7.621 0.538 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -4.221 -8.963 0.434 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.594 -8.113 1.832 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -2.645 -7.889 -1.739 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -1.201 -8.924 -1.643 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -2.817 -9.628 -1.403 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -5.136 -6.692 0.561 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.492 -6.013 0.525 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.128 -6.877 -0.894 1.00 16.46 H new ATOM 223 N THR A 14 0.594 -10.792 0.139 1.00 9.39 N ATOM 224 CA THR A 14 1.968 -10.862 -0.297 1.00 9.63 C ATOM 225 C THR A 14 2.041 -10.140 -1.688 1.00 11.20 C ATOM 226 O THR A 14 1.419 -10.524 -2.635 1.00 11.63 O ATOM 227 CB THR A 14 2.594 -12.145 -0.461 1.00 10.38 C ATOM 228 OG1 THR A 14 2.489 -12.917 0.702 1.00 16.30 O ATOM 229 CG2 THR A 14 4.129 -12.141 -0.758 1.00 11.66 C ATOM 0 H THR A 14 0.086 -11.666 0.001 1.00 9.39 H new ATOM 0 HA THR A 14 2.521 -10.410 0.526 1.00 9.63 H new ATOM 0 HB THR A 14 2.056 -12.538 -1.324 1.00 10.38 H new ATOM 0 HG1 THR A 14 2.922 -13.784 0.559 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.482 -13.167 -0.861 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.319 -11.597 -1.683 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.657 -11.656 0.063 1.00 11.66 H new ATOM 237 N LEU A 15 2.812 -9.012 -1.811 1.00 8.29 N ATOM 238 CA LEU A 15 3.071 -8.225 -3.036 1.00 9.03 C ATOM 239 C LEU A 15 4.446 -8.560 -3.518 1.00 8.59 C ATOM 240 O LEU A 15 5.440 -8.749 -2.716 1.00 7.79 O ATOM 241 CB LEU A 15 2.830 -6.748 -2.962 1.00 11.08 C ATOM 242 CG LEU A 15 1.353 -6.370 -2.505 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.251 -4.855 -2.527 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.283 -6.944 -3.450 1.00 15.27 C ATOM 0 H LEU A 15 3.291 -8.616 -1.003 1.00 8.29 H new ATOM 0 HA LEU A 15 2.311 -8.524 -3.759 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.542 -6.306 -2.265 1.00 11.08 H new ATOM 0 HB3 LEU A 15 3.024 -6.306 -3.939 1.00 11.08 H new ATOM 0 HG LEU A 15 1.174 -6.789 -1.515 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.250 -4.553 -2.219 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.985 -4.431 -1.842 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.445 -4.492 -3.536 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.707 -6.658 -3.095 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.436 -6.550 -4.455 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.361 -8.031 -3.471 1.00 15.27 H new ATOM 256 N GLU A 16 4.770 -8.552 -4.831 1.00 11.04 N ATOM 257 CA GLU A 16 6.034 -8.275 -5.360 1.00 11.50 C ATOM 258 C GLU A 16 5.965 -6.791 -5.833 1.00 10.13 C ATOM 259 O GLU A 16 4.978 -6.439 -6.446 1.00 9.83 O ATOM 260 CB GLU A 16 6.150 -9.200 -6.589 1.00 17.22 C ATOM 261 CG GLU A 16 7.663 -9.431 -7.164 1.00 23.33 C ATOM 262 CD GLU A 16 8.668 -9.976 -6.196 1.00 26.99 C ATOM 263 OE1 GLU A 16 8.473 -11.137 -5.761 1.00 28.90 O ATOM 264 OE2 GLU A 16 9.666 -9.413 -5.882 1.00 28.86 O ATOM 0 H GLU A 16 4.082 -8.757 -5.555 1.00 11.04 H new ATOM 0 HA GLU A 16 6.867 -8.422 -4.672 1.00 11.50 H new ATOM 0 HB2 GLU A 16 5.727 -10.171 -6.331 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.536 -8.788 -7.390 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.605 -10.110 -8.015 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.034 -8.478 -7.541 1.00 23.33 H new ATOM 271 N VAL A 17 6.860 -5.839 -5.541 1.00 8.99 N ATOM 272 CA VAL A 17 6.861 -4.466 -6.092 1.00 8.85 C ATOM 273 C VAL A 17 8.313 -4.194 -6.591 1.00 8.04 C ATOM 274 O VAL A 17 9.233 -4.894 -6.256 1.00 8.99 O ATOM 275 CB VAL A 17 6.362 -3.383 -5.164 1.00 9.78 C ATOM 276 CG1 VAL A 17 4.941 -3.533 -4.787 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.217 -3.344 -3.964 1.00 10.54 C ATOM 0 H VAL A 17 7.631 -6.002 -4.894 1.00 8.99 H new ATOM 0 HA VAL A 17 6.132 -4.421 -6.901 1.00 8.85 H new ATOM 0 HB VAL A 17 6.423 -2.439 -5.706 1.00 9.78 H new ATOM 0 HG11 VAL A 17 4.654 -2.720 -4.120 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.322 -3.503 -5.683 1.00 12.05 H new ATOM 0 HG13 VAL A 17 4.798 -4.487 -4.279 1.00 12.05 H new ATOM 0 HG21 VAL A 17 6.862 -2.564 -3.290 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.177 -4.308 -3.457 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.245 -3.131 -4.257 1.00 10.54 H new ATOM 287 N GLU A 18 8.388 -3.159 -7.359 1.00 7.29 N ATOM 288 CA GLU A 18 9.635 -2.512 -7.743 1.00 7.08 C ATOM 289 C GLU A 18 9.859 -1.234 -6.941 1.00 6.45 C ATOM 290 O GLU A 18 8.832 -0.559 -6.721 1.00 5.28 O ATOM 291 CB GLU A 18 9.687 -2.081 -9.223 1.00 10.28 C ATOM 292 CG GLU A 18 9.256 -3.209 -10.202 1.00 12.65 C ATOM 293 CD GLU A 18 9.729 -3.046 -11.598 1.00 14.15 C ATOM 294 OE1 GLU A 18 9.972 -1.888 -12.076 1.00 14.33 O ATOM 295 OE2 GLU A 18 10.043 -4.105 -12.286 1.00 18.17 O ATOM 0 H GLU A 18 7.564 -2.711 -7.760 1.00 7.29 H new ATOM 0 HA GLU A 18 10.395 -3.269 -7.552 1.00 7.08 H new ATOM 0 HB2 GLU A 18 9.039 -1.216 -9.366 1.00 10.28 H new ATOM 0 HB3 GLU A 18 10.701 -1.764 -9.467 1.00 10.28 H new ATOM 0 HG2 GLU A 18 9.624 -4.161 -9.819 1.00 12.65 H new ATOM 0 HG3 GLU A 18 8.168 -3.267 -10.208 1.00 12.65 H new ATOM 302 N PRO A 19 11.052 -0.909 -6.391 1.00 7.24 N ATOM 303 CA PRO A 19 11.301 0.102 -5.325 1.00 7.07 C ATOM 304 C PRO A 19 11.217 1.519 -5.785 1.00 6.65 C ATOM 305 O PRO A 19 11.248 2.469 -5.002 1.00 6.37 O ATOM 306 CB PRO A 19 12.762 -0.252 -4.896 1.00 7.61 C ATOM 307 CG PRO A 19 13.374 -0.873 -6.128 1.00 8.16 C ATOM 308 CD PRO A 19 12.197 -1.690 -6.716 1.00 7.49 C ATOM 0 HA PRO A 19 10.551 0.055 -4.535 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.311 0.636 -4.584 1.00 7.61 H new ATOM 0 HB3 PRO A 19 12.772 -0.945 -4.055 1.00 7.61 H new ATOM 0 HG2 PRO A 19 13.732 -0.117 -6.827 1.00 8.16 H new ATOM 0 HG3 PRO A 19 14.225 -1.508 -5.882 1.00 8.16 H new ATOM 0 HD2 PRO A 19 12.299 -1.822 -7.793 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.141 -2.686 -6.276 1.00 7.49 H new ATOM 316 N SER A 20 11.166 1.745 -7.128 1.00 6.80 N ATOM 317 CA SER A 20 11.009 3.104 -7.720 1.00 6.28 C ATOM 318 C SER A 20 9.613 3.438 -8.218 1.00 8.45 C ATOM 319 O SER A 20 9.358 4.511 -8.678 1.00 7.26 O ATOM 320 CB SER A 20 12.101 3.408 -8.850 1.00 8.57 C ATOM 321 OG SER A 20 13.428 3.100 -8.477 1.00 11.13 O ATOM 0 H SER A 20 11.232 1.001 -7.822 1.00 6.80 H new ATOM 0 HA SER A 20 11.183 3.770 -6.875 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.847 2.841 -9.745 1.00 8.57 H new ATOM 0 HB3 SER A 20 12.047 4.464 -9.116 1.00 8.57 H new ATOM 0 HG SER A 20 14.033 3.311 -9.218 1.00 11.13 H new ATOM 327 N ASP A 21 8.731 2.456 -8.139 1.00 7.50 N ATOM 328 CA ASP A 21 7.334 2.666 -8.420 1.00 7.70 C ATOM 329 C ASP A 21 6.689 3.399 -7.298 1.00 7.08 C ATOM 330 O ASP A 21 7.112 3.381 -6.181 1.00 8.11 O ATOM 331 CB ASP A 21 6.644 1.273 -8.660 1.00 11.00 C ATOM 332 CG ASP A 21 6.969 0.716 -9.994 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.620 1.355 -10.855 1.00 18.03 O ATOM 334 OD2 ASP A 21 6.473 -0.430 -10.263 1.00 14.36 O ATOM 0 H ASP A 21 8.968 1.499 -7.879 1.00 7.50 H new ATOM 0 HA ASP A 21 7.224 3.273 -9.318 1.00 7.70 H new ATOM 0 HB2 ASP A 21 6.962 0.573 -7.887 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.564 1.382 -8.566 1.00 11.00 H new ATOM 339 N THR A 22 5.646 4.153 -7.578 1.00 5.37 N ATOM 340 CA THR A 22 4.869 4.954 -6.621 1.00 6.01 C ATOM 341 C THR A 22 3.943 4.079 -5.761 1.00 8.01 C ATOM 342 O THR A 22 3.594 2.950 -6.095 1.00 8.11 O ATOM 343 CB THR A 22 4.091 6.116 -7.315 1.00 8.92 C ATOM 344 OG1 THR A 22 3.105 5.666 -8.242 1.00 10.22 O ATOM 345 CG2 THR A 22 5.074 6.955 -8.039 1.00 9.65 C ATOM 0 H THR A 22 5.288 4.236 -8.530 1.00 5.37 H new ATOM 0 HA THR A 22 5.589 5.419 -5.947 1.00 6.01 H new ATOM 0 HB THR A 22 3.564 6.669 -6.537 1.00 8.92 H new ATOM 0 HG1 THR A 22 2.653 6.439 -8.640 1.00 10.22 H new ATOM 0 HG21 THR A 22 4.556 7.776 -8.534 1.00 9.65 H new ATOM 0 HG22 THR A 22 5.800 7.357 -7.332 1.00 9.65 H new ATOM 0 HG23 THR A 22 5.590 6.350 -8.784 1.00 9.65 H new ATOM 353 N ILE A 23 3.543 4.625 -4.599 1.00 8.32 N ATOM 354 CA ILE A 23 2.512 4.073 -3.739 1.00 9.92 C ATOM 355 C ILE A 23 1.178 3.913 -4.453 1.00 10.01 C ATOM 356 O ILE A 23 0.467 2.945 -4.179 1.00 8.71 O ATOM 357 CB ILE A 23 2.453 4.995 -2.544 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.774 5.008 -1.800 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.350 4.454 -1.585 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.377 3.677 -1.331 1.00 12.30 C ATOM 0 H ILE A 23 3.947 5.487 -4.233 1.00 8.32 H new ATOM 0 HA ILE A 23 2.748 3.055 -3.428 1.00 9.92 H new ATOM 0 HB ILE A 23 2.237 6.009 -2.880 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.509 5.494 -2.442 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.651 5.641 -0.921 1.00 11.38 H new ATOM 0 HG21 ILE A 23 1.281 5.099 -0.709 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.391 4.442 -2.103 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.605 3.442 -1.271 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.320 3.866 -0.817 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.684 3.184 -0.649 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.556 3.035 -2.193 1.00 12.30 H new ATOM 372 N GLU A 24 0.829 4.802 -5.374 1.00 9.54 N ATOM 373 CA GLU A 24 -0.270 4.564 -6.329 1.00 11.81 C ATOM 374 C GLU A 24 -0.191 3.288 -7.193 1.00 11.14 C ATOM 375 O GLU A 24 -1.160 2.569 -7.365 1.00 10.62 O ATOM 376 CB GLU A 24 -0.408 5.804 -7.233 1.00 19.24 C ATOM 377 CG GLU A 24 -1.726 5.742 -8.073 1.00 27.76 C ATOM 378 CD GLU A 24 -1.847 6.883 -9.128 1.00 32.92 C ATOM 379 OE1 GLU A 24 -0.996 6.982 -9.970 1.00 36.51 O ATOM 380 OE2 GLU A 24 -2.828 7.662 -9.047 1.00 34.80 O ATOM 0 H GLU A 24 1.290 5.705 -5.488 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.149 4.391 -5.708 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.404 6.706 -6.622 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.451 5.868 -7.901 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.777 4.780 -8.583 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.580 5.791 -7.398 1.00 27.76 H new ATOM 387 N ASN A 25 1.064 2.962 -7.657 1.00 9.43 N ATOM 388 CA ASN A 25 1.212 1.701 -8.422 1.00 10.96 C ATOM 389 C ASN A 25 1.097 0.484 -7.501 1.00 9.68 C ATOM 390 O ASN A 25 0.687 -0.607 -7.834 1.00 9.33 O ATOM 391 CB ASN A 25 2.560 1.472 -9.142 1.00 16.78 C ATOM 392 CG ASN A 25 2.610 2.313 -10.347 1.00 22.31 C ATOM 393 OD1 ASN A 25 2.153 1.856 -11.416 1.00 25.66 O ATOM 394 ND2 ASN A 25 3.186 3.493 -10.252 1.00 24.70 N ATOM 0 H ASN A 25 1.913 3.511 -7.524 1.00 9.43 H new ATOM 0 HA ASN A 25 0.419 1.806 -9.163 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.388 1.718 -8.477 1.00 16.78 H new ATOM 0 HB3 ASN A 25 2.669 0.421 -9.412 1.00 16.78 H new ATOM 0 HD21 ASN A 25 3.277 4.084 -11.078 1.00 24.70 H new ATOM 0 HD22 ASN A 25 3.542 3.816 -9.352 1.00 24.70 H new ATOM 401 N VAL A 26 1.431 0.676 -6.213 1.00 6.52 N ATOM 402 CA VAL A 26 1.303 -0.333 -5.157 1.00 5.53 C ATOM 403 C VAL A 26 -0.206 -0.676 -4.916 1.00 4.42 C ATOM 404 O VAL A 26 -0.597 -1.833 -4.828 1.00 3.40 O ATOM 405 CB VAL A 26 1.932 0.052 -3.793 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.646 -0.928 -2.684 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.464 0.198 -4.074 1.00 8.12 C ATOM 0 H VAL A 26 1.807 1.561 -5.873 1.00 6.52 H new ATOM 0 HA VAL A 26 1.865 -1.189 -5.531 1.00 5.53 H new ATOM 0 HB VAL A 26 1.491 0.977 -3.421 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.121 -0.586 -1.765 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.569 -1.000 -2.531 1.00 7.25 H new ATOM 0 HG13 VAL A 26 2.041 -1.908 -2.953 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.979 0.470 -3.153 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.858 -0.749 -4.444 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.624 0.974 -4.822 1.00 8.12 H new ATOM 417 N LYS A 27 -1.060 0.392 -4.920 1.00 2.64 N ATOM 418 CA LYS A 27 -2.474 0.216 -4.808 1.00 4.14 C ATOM 419 C LYS A 27 -3.088 -0.527 -6.016 1.00 5.58 C ATOM 420 O LYS A 27 -4.009 -1.330 -5.831 1.00 4.11 O ATOM 421 CB LYS A 27 -3.194 1.563 -4.534 1.00 3.97 C ATOM 422 CG LYS A 27 -2.859 2.265 -3.188 1.00 7.45 C ATOM 423 CD LYS A 27 -3.714 3.488 -2.856 1.00 9.02 C ATOM 424 CE LYS A 27 -3.394 4.639 -3.771 1.00 12.90 C ATOM 425 NZ LYS A 27 -4.202 5.903 -3.563 1.00 15.47 N ATOM 0 H LYS A 27 -0.760 1.363 -5.001 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.636 -0.429 -3.944 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.955 2.250 -5.346 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.269 1.389 -4.570 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.966 1.539 -2.382 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.812 2.569 -3.207 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -4.770 3.232 -2.945 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -3.544 3.784 -1.821 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -2.338 4.885 -3.656 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -3.534 4.308 -4.800 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -4.514 6.271 -4.484 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -5.033 5.691 -2.975 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -3.614 6.616 -3.087 1.00 15.47 H new ATOM 439 N ALA A 28 -2.651 -0.279 -7.235 1.00 6.61 N ATOM 440 CA ALA A 28 -2.977 -1.131 -8.393 1.00 7.74 C ATOM 441 C ALA A 28 -2.473 -2.616 -8.177 1.00 9.17 C ATOM 442 O ALA A 28 -3.171 -3.558 -8.473 1.00 11.45 O ATOM 443 CB ALA A 28 -2.346 -0.570 -9.684 1.00 7.68 C ATOM 0 H ALA A 28 -2.057 0.518 -7.465 1.00 6.61 H new ATOM 0 HA ALA A 28 -4.063 -1.135 -8.490 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.601 -1.216 -10.524 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.728 0.434 -9.869 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.262 -0.531 -9.572 1.00 7.68 H new ATOM 449 N LYS A 29 -1.233 -2.822 -7.570 1.00 8.96 N ATOM 450 CA LYS A 29 -0.837 -4.211 -7.199 1.00 7.90 C ATOM 451 C LYS A 29 -1.776 -4.886 -6.156 1.00 6.92 C ATOM 452 O LYS A 29 -2.149 -6.056 -6.189 1.00 6.87 O ATOM 453 CB LYS A 29 0.604 -4.244 -6.608 1.00 10.28 C ATOM 454 CG LYS A 29 1.435 -5.427 -7.102 1.00 14.94 C ATOM 455 CD LYS A 29 1.539 -5.569 -8.582 1.00 19.69 C ATOM 456 CE LYS A 29 2.768 -6.246 -9.072 1.00 22.63 C ATOM 457 NZ LYS A 29 2.647 -7.726 -8.944 1.00 24.98 N ATOM 0 H LYS A 29 -0.554 -2.093 -7.350 1.00 8.96 H new ATOM 0 HA LYS A 29 -0.903 -4.768 -8.134 1.00 7.90 H new ATOM 0 HB2 LYS A 29 1.116 -3.317 -6.866 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.542 -4.282 -5.520 1.00 10.28 H new ATOM 0 HG2 LYS A 29 2.441 -5.337 -6.692 1.00 14.94 H new ATOM 0 HG3 LYS A 29 1.006 -6.343 -6.697 1.00 14.94 H new ATOM 0 HD2 LYS A 29 0.672 -6.125 -8.939 1.00 19.69 H new ATOM 0 HD3 LYS A 29 1.488 -4.577 -9.030 1.00 19.69 H new ATOM 0 HE2 LYS A 29 2.943 -5.980 -10.114 1.00 22.63 H new ATOM 0 HE3 LYS A 29 3.631 -5.897 -8.505 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 3.517 -8.177 -9.292 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 2.503 -7.977 -7.945 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 1.837 -8.058 -9.505 1.00 24.98 H new ATOM 471 N ILE A 30 -2.288 -4.111 -5.174 1.00 4.57 N ATOM 472 CA ILE A 30 -3.322 -4.593 -4.239 1.00 5.58 C ATOM 473 C ILE A 30 -4.660 -4.852 -4.901 1.00 7.26 C ATOM 474 O ILE A 30 -5.270 -5.876 -4.681 1.00 9.46 O ATOM 475 CB ILE A 30 -3.429 -3.644 -3.026 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.078 -3.537 -2.313 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.594 -3.983 -2.064 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.091 -2.747 -0.948 1.00 2.00 C ATOM 0 H ILE A 30 -1.999 -3.147 -5.010 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.003 -5.571 -3.877 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.686 -2.659 -3.415 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -1.705 -4.544 -2.126 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.369 -3.054 -2.986 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.602 -3.272 -1.238 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.540 -3.925 -2.603 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.461 -4.992 -1.673 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.086 -2.731 -0.527 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.428 -1.725 -1.122 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -2.769 -3.238 -0.250 1.00 2.00 H new ATOM 490 N GLN A 31 -5.110 -3.984 -5.882 1.00 7.06 N ATOM 491 CA GLN A 31 -6.298 -4.234 -6.621 1.00 8.67 C ATOM 492 C GLN A 31 -6.260 -5.524 -7.482 1.00 10.90 C ATOM 493 O GLN A 31 -7.247 -6.237 -7.552 1.00 9.63 O ATOM 494 CB GLN A 31 -6.509 -3.003 -7.581 1.00 9.12 C ATOM 495 CG GLN A 31 -7.789 -3.173 -8.492 1.00 10.76 C ATOM 496 CD GLN A 31 -8.211 -1.984 -9.359 1.00 13.78 C ATOM 497 OE1 GLN A 31 -7.266 -1.444 -9.931 1.00 14.48 O ATOM 498 NE2 GLN A 31 -9.483 -1.711 -9.570 1.00 14.76 N ATOM 0 H GLN A 31 -4.631 -3.121 -6.139 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.107 -4.374 -5.904 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.605 -2.093 -6.988 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.629 -2.881 -8.212 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -7.620 -4.025 -9.151 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.628 -3.431 -7.846 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -10.205 -2.209 -9.049 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -9.746 -1.002 -10.254 1.00 14.76 H new ATOM 507 N ASP A 32 -5.078 -5.701 -8.142 1.00 10.93 N ATOM 508 CA ASP A 32 -4.850 -6.879 -9.019 1.00 14.01 C ATOM 509 C ASP A 32 -5.163 -8.208 -8.235 1.00 14.04 C ATOM 510 O ASP A 32 -5.776 -9.166 -8.793 1.00 13.39 O ATOM 511 CB ASP A 32 -3.397 -6.869 -9.526 1.00 18.01 C ATOM 512 CG ASP A 32 -3.034 -7.842 -10.592 1.00 24.33 C ATOM 513 OD1 ASP A 32 -3.786 -8.027 -11.552 1.00 25.17 O ATOM 514 OD2 ASP A 32 -1.863 -8.410 -10.505 1.00 26.29 O ATOM 0 H ASP A 32 -4.289 -5.058 -8.083 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.520 -6.828 -9.877 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.177 -5.868 -9.896 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -2.742 -7.045 -8.673 1.00 18.01 H new ATOM 519 N LYS A 33 -4.769 -8.310 -6.942 1.00 14.22 N ATOM 520 CA LYS A 33 -5.066 -9.385 -6.038 1.00 14.00 C ATOM 521 C LYS A 33 -6.507 -9.316 -5.609 1.00 12.37 C ATOM 522 O LYS A 33 -7.295 -10.274 -5.655 1.00 12.17 O ATOM 523 CB LYS A 33 -4.196 -9.336 -4.728 1.00 18.62 C ATOM 524 CG LYS A 33 -2.663 -9.486 -4.953 1.00 24.00 C ATOM 525 CD LYS A 33 -2.221 -10.868 -4.496 1.00 27.61 C ATOM 526 CE LYS A 33 -0.772 -11.116 -4.898 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.317 -12.340 -4.323 1.00 30.06 N ATOM 0 H LYS A 33 -4.202 -7.586 -6.501 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.846 -10.304 -6.581 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.383 -8.390 -4.220 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.529 -10.129 -4.058 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.423 -9.345 -6.007 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.125 -8.717 -4.398 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.326 -10.952 -3.414 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.864 -11.629 -4.939 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.688 -11.160 -5.984 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.145 -10.290 -4.563 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.392 -12.137 -3.590 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -1.121 -12.843 -3.897 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 0.110 -12.933 -5.063 1.00 30.06 H new ATOM 541 N GLU A 34 -6.923 -8.186 -4.995 1.00 10.11 N ATOM 542 CA GLU A 34 -8.030 -8.182 -4.087 1.00 10.07 C ATOM 543 C GLU A 34 -9.264 -7.464 -4.604 1.00 9.32 C ATOM 544 O GLU A 34 -10.296 -7.542 -3.994 1.00 11.61 O ATOM 545 CB GLU A 34 -7.653 -7.729 -2.694 1.00 14.77 C ATOM 546 CG GLU A 34 -6.691 -8.662 -1.973 1.00 18.75 C ATOM 547 CD GLU A 34 -7.189 -10.116 -1.839 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.410 -10.345 -1.570 1.00 25.19 O ATOM 549 OE2 GLU A 34 -6.342 -11.051 -2.041 1.00 21.95 O ATOM 0 H GLU A 34 -6.488 -7.273 -5.131 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.316 -9.231 -4.014 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.203 -6.738 -2.756 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.560 -7.630 -2.098 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.740 -8.665 -2.505 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.497 -8.264 -0.977 1.00 18.75 H new ATOM 556 N GLY A 35 -9.244 -6.948 -5.840 1.00 7.22 N ATOM 557 CA GLY A 35 -10.440 -6.349 -6.453 1.00 6.29 C ATOM 558 C GLY A 35 -10.723 -4.957 -6.030 1.00 6.93 C ATOM 559 O GLY A 35 -11.773 -4.413 -6.304 1.00 7.41 O ATOM 0 H GLY A 35 -8.416 -6.933 -6.435 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.324 -6.368 -7.537 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.304 -6.970 -6.214 1.00 6.29 H new ATOM 563 N ILE A 36 -9.834 -4.271 -5.274 1.00 5.86 N ATOM 564 CA ILE A 36 -10.249 -3.033 -4.628 1.00 6.07 C ATOM 565 C ILE A 36 -9.806 -1.832 -5.381 1.00 6.36 C ATOM 566 O ILE A 36 -8.617 -1.759 -5.586 1.00 6.18 O ATOM 567 CB ILE A 36 -9.692 -2.898 -3.196 1.00 7.47 C ATOM 568 CG1 ILE A 36 -10.042 -4.155 -2.356 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.253 -1.626 -2.449 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.191 -4.301 -1.103 1.00 9.49 C ATOM 0 H ILE A 36 -8.867 -4.549 -5.108 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.337 -3.086 -4.603 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.612 -2.793 -3.295 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -11.093 -4.110 -2.069 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.918 -5.043 -2.976 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.830 -1.577 -1.446 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.978 -0.728 -3.003 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.339 -1.693 -2.382 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.489 -5.200 -0.564 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.140 -4.377 -1.384 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.333 -3.430 -0.463 1.00 9.49 H new ATOM 582 N PRO A 37 -10.669 -0.919 -5.861 1.00 8.65 N ATOM 583 CA PRO A 37 -10.287 0.386 -6.448 1.00 9.18 C ATOM 584 C PRO A 37 -9.270 1.156 -5.612 1.00 9.85 C ATOM 585 O PRO A 37 -9.592 1.376 -4.425 1.00 8.51 O ATOM 586 CB PRO A 37 -11.552 1.156 -6.637 1.00 11.42 C ATOM 587 CG PRO A 37 -12.620 0.073 -6.682 1.00 9.27 C ATOM 588 CD PRO A 37 -12.128 -1.045 -5.787 1.00 8.33 C ATOM 0 HA PRO A 37 -9.778 0.224 -7.398 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.723 1.855 -5.819 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.533 1.740 -7.557 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.579 0.457 -6.333 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.771 -0.282 -7.701 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.490 -0.931 -4.765 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.466 -2.020 -6.138 1.00 8.33 H new ATOM 596 N PRO A 38 -8.169 1.776 -6.100 1.00 8.71 N ATOM 597 CA PRO A 38 -7.273 2.696 -5.358 1.00 9.08 C ATOM 598 C PRO A 38 -7.928 3.865 -4.736 1.00 9.28 C ATOM 599 O PRO A 38 -7.376 4.494 -3.824 1.00 6.50 O ATOM 600 CB PRO A 38 -6.136 3.101 -6.365 1.00 10.31 C ATOM 601 CG PRO A 38 -5.992 1.763 -7.069 1.00 10.81 C ATOM 602 CD PRO A 38 -7.458 1.268 -7.302 1.00 12.00 C ATOM 0 HA PRO A 38 -6.880 2.176 -4.485 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.431 3.906 -7.038 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.221 3.421 -5.867 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.457 1.869 -8.013 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.429 1.056 -6.461 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -7.880 1.671 -8.223 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.512 0.182 -7.375 1.00 12.00 H new ATOM 610 N ASP A 39 -9.146 4.253 -5.259 1.00 11.20 N ATOM 611 CA ASP A 39 -9.977 5.206 -4.562 1.00 14.96 C ATOM 612 C ASP A 39 -10.549 4.748 -3.197 1.00 13.99 C ATOM 613 O ASP A 39 -10.927 5.657 -2.472 1.00 13.75 O ATOM 614 CB ASP A 39 -11.165 5.557 -5.487 1.00 24.16 C ATOM 615 CG ASP A 39 -10.665 5.919 -6.846 1.00 31.06 C ATOM 616 OD1 ASP A 39 -10.390 7.148 -7.057 1.00 35.55 O ATOM 617 OD2 ASP A 39 -10.506 4.978 -7.679 1.00 34.22 O ATOM 0 H ASP A 39 -9.532 3.910 -6.139 1.00 11.20 H new ATOM 0 HA ASP A 39 -9.326 6.049 -4.331 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -11.846 4.709 -5.555 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -11.731 6.388 -5.066 1.00 24.16 H new ATOM 622 N GLN A 40 -10.593 3.447 -2.907 1.00 11.60 N ATOM 623 CA GLN A 40 -11.149 2.918 -1.676 1.00 10.76 C ATOM 624 C GLN A 40 -10.023 2.487 -0.772 1.00 8.01 C ATOM 625 O GLN A 40 -10.225 2.386 0.448 1.00 8.96 O ATOM 626 CB GLN A 40 -12.126 1.824 -1.933 1.00 11.14 C ATOM 627 CG GLN A 40 -13.295 2.268 -2.783 1.00 14.85 C ATOM 628 CD GLN A 40 -14.263 1.101 -3.062 1.00 16.11 C ATOM 629 OE1 GLN A 40 -14.056 -0.005 -2.596 1.00 20.52 O ATOM 630 NE2 GLN A 40 -15.313 1.433 -3.883 1.00 18.16 N ATOM 0 H GLN A 40 -10.236 2.726 -3.535 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.716 3.702 -1.173 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.616 0.997 -2.428 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -12.498 1.445 -0.981 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.829 3.073 -2.278 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.928 2.672 -3.727 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -15.408 2.388 -4.228 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.997 0.724 -4.148 1.00 18.16 H new ATOM 639 N GLN A 41 -8.856 2.185 -1.331 1.00 6.52 N ATOM 640 CA GLN A 41 -7.761 1.837 -0.494 1.00 3.87 C ATOM 641 C GLN A 41 -7.119 3.077 0.144 1.00 4.79 C ATOM 642 O GLN A 41 -7.139 4.137 -0.416 1.00 6.34 O ATOM 643 CB GLN A 41 -6.690 1.084 -1.333 1.00 4.20 C ATOM 644 CG GLN A 41 -7.218 -0.146 -2.082 1.00 3.20 C ATOM 645 CD GLN A 41 -6.060 -0.727 -2.957 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.904 -0.614 -2.578 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.449 -1.270 -4.164 1.00 7.13 N ATOM 0 H GLN A 41 -8.666 2.179 -2.333 1.00 6.52 H new ATOM 0 HA GLN A 41 -8.139 1.200 0.306 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.260 1.777 -2.056 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.882 0.772 -0.671 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.573 -0.897 -1.376 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -8.066 0.127 -2.709 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.439 -1.326 -4.402 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.746 -1.615 -4.818 1.00 7.13 H new ATOM 656 N ARG A 42 -6.508 2.891 1.320 1.00 5.73 N ATOM 657 CA ARG A 42 -5.598 3.866 1.819 1.00 6.97 C ATOM 658 C ARG A 42 -4.423 3.266 2.584 1.00 7.15 C ATOM 659 O ARG A 42 -4.603 2.359 3.396 1.00 7.33 O ATOM 660 CB ARG A 42 -6.369 4.920 2.647 1.00 13.23 C ATOM 661 CG ARG A 42 -5.538 6.020 3.366 1.00 21.27 C ATOM 662 CD ARG A 42 -6.209 7.014 4.300 1.00 26.14 C ATOM 663 NE ARG A 42 -6.918 8.003 3.472 1.00 32.26 N ATOM 664 CZ ARG A 42 -7.798 8.878 3.968 1.00 34.32 C ATOM 665 NH1 ARG A 42 -8.281 8.839 5.232 1.00 35.30 N ATOM 666 NH2 ARG A 42 -8.094 9.952 3.288 1.00 36.39 N ATOM 0 H ARG A 42 -6.640 2.077 1.920 1.00 5.73 H new ATOM 0 HA ARG A 42 -5.140 4.361 0.962 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -7.078 5.415 1.984 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -6.953 4.393 3.402 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -4.764 5.512 3.941 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -5.033 6.598 2.592 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -6.905 6.503 4.965 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -5.468 7.505 4.931 1.00 26.14 H new ATOM 0 HE ARG A 42 -6.728 8.021 2.470 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -7.974 8.107 5.873 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -8.952 9.541 5.543 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -7.654 10.120 2.383 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -8.765 10.623 3.662 1.00 36.39 H new ATOM 680 N LEU A 43 -3.149 3.678 2.380 1.00 4.65 N ATOM 681 CA LEU A 43 -1.995 2.933 2.846 1.00 3.51 C ATOM 682 C LEU A 43 -1.318 3.638 3.943 1.00 5.56 C ATOM 683 O LEU A 43 -0.784 4.763 3.784 1.00 4.19 O ATOM 684 CB LEU A 43 -1.076 2.688 1.624 1.00 3.74 C ATOM 685 CG LEU A 43 -1.714 1.701 0.569 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.593 1.384 -0.448 1.00 9.55 C ATOM 687 CD2 LEU A 43 -2.278 0.368 1.186 1.00 6.41 C ATOM 0 H LEU A 43 -2.911 4.538 1.886 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.293 1.972 3.265 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.860 3.641 1.140 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.124 2.282 1.966 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.581 2.182 0.116 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.974 0.702 -1.208 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.261 2.307 -0.923 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.247 0.919 0.069 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.697 -0.251 0.393 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -1.472 -0.173 1.681 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -3.056 0.604 1.912 1.00 6.41 H new ATOM 699 N ILE A 44 -1.165 2.943 5.051 1.00 4.58 N ATOM 700 CA ILE A 44 -0.319 3.320 6.132 1.00 5.55 C ATOM 701 C ILE A 44 0.908 2.355 6.257 1.00 5.46 C ATOM 702 O ILE A 44 0.811 1.145 6.022 1.00 6.04 O ATOM 703 CB ILE A 44 -1.075 3.290 7.506 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.016 4.526 7.701 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.134 3.391 8.733 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.204 4.550 6.794 1.00 13.90 C ATOM 0 H ILE A 44 -1.654 2.064 5.216 1.00 4.58 H new ATOM 0 HA ILE A 44 0.011 4.335 5.911 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.606 2.339 7.462 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.363 4.543 8.734 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -1.437 5.436 7.544 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -0.725 3.364 9.648 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.563 2.553 8.727 1.00 7.39 H new ATOM 0 HG23 ILE A 44 0.423 4.327 8.688 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.800 5.440 6.998 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.870 4.567 5.757 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -3.810 3.660 6.965 1.00 13.90 H new ATOM 718 N PHE A 45 2.147 2.850 6.671 1.00 6.75 N ATOM 719 CA PHE A 45 3.338 2.096 7.032 1.00 4.70 C ATOM 720 C PHE A 45 3.962 2.859 8.202 1.00 6.34 C ATOM 721 O PHE A 45 4.125 4.093 8.126 1.00 5.45 O ATOM 722 CB PHE A 45 4.268 2.009 5.845 1.00 5.51 C ATOM 723 CG PHE A 45 5.571 1.426 6.111 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.659 0.070 6.504 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.756 2.241 6.080 1.00 5.87 C ATOM 726 CE1 PHE A 45 6.897 -0.406 6.961 1.00 6.68 C ATOM 727 CE2 PHE A 45 7.957 1.734 6.610 1.00 6.64 C ATOM 728 CZ PHE A 45 8.084 0.378 6.944 1.00 6.84 C ATOM 0 H PHE A 45 2.305 3.854 6.752 1.00 6.75 H new ATOM 0 HA PHE A 45 3.118 1.068 7.320 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.780 1.424 5.066 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.413 3.013 5.446 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.798 -0.580 6.454 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.724 3.233 5.654 1.00 5.87 H new ATOM 0 HE1 PHE A 45 6.951 -1.415 7.344 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.794 2.400 6.762 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.045 -0.054 7.179 1.00 6.84 H new ATOM 738 N ALA A 46 4.293 2.216 9.403 1.00 6.53 N ATOM 739 CA ALA A 46 4.964 2.834 10.518 1.00 7.15 C ATOM 740 C ALA A 46 4.098 3.876 11.235 1.00 9.00 C ATOM 741 O ALA A 46 4.602 4.740 11.899 1.00 11.15 O ATOM 742 CB ALA A 46 6.351 3.280 10.123 1.00 8.99 C ATOM 0 H ALA A 46 4.072 1.234 9.571 1.00 6.53 H new ATOM 0 HA ALA A 46 5.117 2.086 11.296 1.00 7.15 H new ATOM 0 HB1 ALA A 46 6.841 3.744 10.979 1.00 8.99 H new ATOM 0 HB2 ALA A 46 6.931 2.417 9.796 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.283 4.001 9.308 1.00 8.99 H new ATOM 748 N GLY A 47 2.744 3.772 11.249 1.00 9.35 N ATOM 749 CA GLY A 47 1.829 4.735 11.885 1.00 11.68 C ATOM 750 C GLY A 47 1.654 6.023 11.101 1.00 11.14 C ATOM 751 O GLY A 47 1.112 7.045 11.587 1.00 13.93 O ATOM 0 H GLY A 47 2.254 2.995 10.806 1.00 9.35 H new ATOM 0 HA2 GLY A 47 0.854 4.265 12.015 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.203 4.974 12.880 1.00 11.68 H new ATOM 755 N LYS A 48 2.106 6.041 9.823 1.00 10.47 N ATOM 756 CA LYS A 48 1.869 7.133 8.966 1.00 8.82 C ATOM 757 C LYS A 48 1.322 6.796 7.612 1.00 7.68 C ATOM 758 O LYS A 48 1.683 5.836 6.923 1.00 6.47 O ATOM 759 CB LYS A 48 3.276 7.816 8.757 1.00 9.74 C ATOM 760 CG LYS A 48 3.279 9.330 8.356 1.00 14.14 C ATOM 761 CD LYS A 48 3.069 10.407 9.411 1.00 16.32 C ATOM 762 CE LYS A 48 4.110 10.357 10.642 1.00 20.04 C ATOM 763 NZ LYS A 48 3.940 11.492 11.530 1.00 23.92 N ATOM 0 H LYS A 48 2.639 5.282 9.398 1.00 10.47 H new ATOM 0 HA LYS A 48 1.107 7.755 9.435 1.00 8.82 H new ATOM 0 HB2 LYS A 48 3.845 7.709 9.681 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.811 7.261 7.987 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.235 9.534 7.874 1.00 14.14 H new ATOM 0 HG3 LYS A 48 2.505 9.465 7.600 1.00 14.14 H new ATOM 0 HD2 LYS A 48 3.140 11.384 8.933 1.00 16.32 H new ATOM 0 HD3 LYS A 48 2.057 10.318 9.805 1.00 16.32 H new ATOM 0 HE2 LYS A 48 3.969 9.432 11.201 1.00 20.04 H new ATOM 0 HE3 LYS A 48 5.130 10.345 10.257 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 4.625 11.428 12.310 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 4.099 12.373 11.001 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 2.974 11.489 11.916 1.00 23.92 H new ATOM 777 N GLN A 49 0.273 7.600 7.151 1.00 8.89 N ATOM 778 CA GLN A 49 -0.345 7.539 5.835 1.00 7.18 C ATOM 779 C GLN A 49 0.717 7.851 4.760 1.00 8.23 C ATOM 780 O GLN A 49 1.632 8.678 4.903 1.00 9.70 O ATOM 781 CB GLN A 49 -1.520 8.552 5.693 1.00 11.67 C ATOM 782 CG GLN A 49 -2.710 8.253 6.563 1.00 15.82 C ATOM 783 CD GLN A 49 -3.698 9.413 6.368 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.103 9.805 5.248 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.130 10.027 7.517 1.00 20.67 N ATOM 0 H GLN A 49 -0.147 8.318 7.741 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.748 6.535 5.704 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.153 9.550 5.932 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.843 8.571 4.652 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -3.166 7.304 6.282 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.414 8.168 7.609 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.796 9.703 8.425 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -4.785 10.807 7.463 1.00 20.67 H new ATOM 794 N LEU A 50 0.614 7.222 3.567 1.00 6.51 N ATOM 795 CA LEU A 50 1.494 7.349 2.468 1.00 7.41 C ATOM 796 C LEU A 50 0.819 8.133 1.314 1.00 8.27 C ATOM 797 O LEU A 50 -0.263 7.835 0.863 1.00 8.34 O ATOM 798 CB LEU A 50 1.906 5.941 1.971 1.00 7.13 C ATOM 799 CG LEU A 50 2.499 4.951 3.019 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.689 3.570 2.444 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.806 5.406 3.589 1.00 9.11 C ATOM 0 H LEU A 50 -0.151 6.577 3.372 1.00 6.51 H new ATOM 0 HA LEU A 50 2.378 7.899 2.790 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.029 5.472 1.525 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.640 6.067 1.175 1.00 7.13 H new ATOM 0 HG LEU A 50 1.761 4.923 3.821 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.104 2.912 3.207 1.00 8.14 H new ATOM 0 HD12 LEU A 50 1.727 3.179 2.112 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.373 3.620 1.597 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.163 4.672 4.311 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.536 5.511 2.787 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.672 6.367 4.085 1.00 9.11 H new ATOM 813 N GLU A 51 1.512 9.151 0.794 1.00 9.43 N ATOM 814 CA GLU A 51 1.023 9.936 -0.322 1.00 11.90 C ATOM 815 C GLU A 51 1.271 9.319 -1.674 1.00 11.49 C ATOM 816 O GLU A 51 2.258 8.648 -1.940 1.00 9.88 O ATOM 817 CB GLU A 51 1.559 11.461 -0.214 1.00 16.56 C ATOM 818 CG GLU A 51 1.041 12.426 -1.281 1.00 26.06 C ATOM 819 CD GLU A 51 -0.444 12.552 -1.215 1.00 29.86 C ATOM 820 OE1 GLU A 51 -1.191 11.675 -1.801 1.00 33.44 O ATOM 821 OE2 GLU A 51 -0.896 13.575 -0.645 1.00 32.13 O ATOM 0 H GLU A 51 2.425 9.446 1.141 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.064 9.949 -0.243 1.00 11.90 H new ATOM 0 HB2 GLU A 51 1.287 11.853 0.766 1.00 16.56 H new ATOM 0 HB3 GLU A 51 2.648 11.448 -0.261 1.00 16.56 H new ATOM 0 HG2 GLU A 51 1.499 13.406 -1.143 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.336 12.073 -2.269 1.00 26.06 H new ATOM 828 N ASP A 52 0.332 9.387 -2.515 1.00 12.71 N ATOM 829 CA ASP A 52 0.167 8.573 -3.718 1.00 16.56 C ATOM 830 C ASP A 52 1.281 8.565 -4.786 1.00 15.83 C ATOM 831 O ASP A 52 1.732 7.482 -5.241 1.00 17.21 O ATOM 832 CB ASP A 52 -1.131 9.073 -4.441 1.00 21.05 C ATOM 833 CG ASP A 52 -2.440 8.682 -3.894 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.457 7.958 -2.814 1.00 28.37 O ATOM 835 OD2 ASP A 52 -3.480 8.860 -4.648 1.00 25.82 O ATOM 0 H ASP A 52 -0.427 10.060 -2.405 1.00 12.71 H new ATOM 0 HA ASP A 52 0.159 7.554 -3.331 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -1.096 10.162 -4.467 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.088 8.728 -5.474 1.00 21.05 H new ATOM 840 N GLY A 53 1.813 9.746 -5.145 1.00 15.00 N ATOM 841 CA GLY A 53 2.817 9.959 -6.152 1.00 11.77 C ATOM 842 C GLY A 53 4.206 9.738 -5.592 1.00 11.10 C ATOM 843 O GLY A 53 5.249 9.878 -6.291 1.00 11.25 O ATOM 0 H GLY A 53 1.523 10.618 -4.701 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.647 9.281 -6.989 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.736 10.974 -6.542 1.00 11.77 H new ATOM 847 N ARG A 54 4.286 9.289 -4.324 1.00 8.53 N ATOM 848 CA ARG A 54 5.580 9.119 -3.706 1.00 9.05 C ATOM 849 C ARG A 54 6.065 7.711 -3.908 1.00 8.96 C ATOM 850 O ARG A 54 5.181 6.863 -4.073 1.00 11.60 O ATOM 851 CB ARG A 54 5.551 9.365 -2.174 1.00 7.97 C ATOM 852 CG ARG A 54 5.019 10.725 -1.678 1.00 9.62 C ATOM 853 CD ARG A 54 5.727 11.939 -2.265 1.00 12.20 C ATOM 854 NE ARG A 54 5.738 13.022 -1.215 1.00 18.23 N ATOM 855 CZ ARG A 54 4.904 14.049 -1.119 1.00 22.08 C ATOM 856 NH1 ARG A 54 3.800 14.188 -1.912 1.00 25.50 N ATOM 857 NH2 ARG A 54 5.077 14.879 -0.093 1.00 23.38 N ATOM 0 H ARG A 54 3.487 9.049 -3.737 1.00 8.53 H new ATOM 0 HA ARG A 54 6.236 9.851 -4.177 1.00 9.05 H new ATOM 0 HB2 ARG A 54 4.945 8.581 -1.720 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.566 9.243 -1.795 1.00 7.97 H new ATOM 0 HG2 ARG A 54 3.957 10.792 -1.914 1.00 9.62 H new ATOM 0 HG3 ARG A 54 5.107 10.760 -0.592 1.00 9.62 H new ATOM 0 HD2 ARG A 54 6.745 11.682 -2.559 1.00 12.20 H new ATOM 0 HD3 ARG A 54 5.213 12.283 -3.163 1.00 12.20 H new ATOM 0 HE ARG A 54 6.465 12.958 -0.502 1.00 18.23 H new ATOM 0 HH11 ARG A 54 3.587 13.483 -2.617 1.00 25.50 H new ATOM 0 HH12 ARG A 54 3.189 14.997 -1.799 1.00 25.50 H new ATOM 0 HH21 ARG A 54 5.827 14.711 0.578 1.00 23.38 H new ATOM 0 HH22 ARG A 54 4.460 15.683 0.022 1.00 23.38 H new ATOM 871 N THR A 55 7.339 7.411 -3.924 1.00 9.05 N ATOM 872 CA THR A 55 7.848 6.084 -4.121 1.00 9.03 C ATOM 873 C THR A 55 8.185 5.356 -2.871 1.00 8.15 C ATOM 874 O THR A 55 8.383 5.885 -1.815 1.00 5.91 O ATOM 875 CB THR A 55 9.076 6.044 -5.013 1.00 11.15 C ATOM 876 OG1 THR A 55 10.242 6.768 -4.530 1.00 11.95 O ATOM 877 CG2 THR A 55 8.782 6.676 -6.369 1.00 11.71 C ATOM 0 H THR A 55 8.072 8.109 -3.796 1.00 9.05 H new ATOM 0 HA THR A 55 7.010 5.581 -4.603 1.00 9.03 H new ATOM 0 HB THR A 55 9.303 4.979 -5.047 1.00 11.15 H new ATOM 0 HG1 THR A 55 11.013 6.164 -4.500 1.00 11.95 H new ATOM 0 HG21 THR A 55 9.676 6.636 -6.991 1.00 11.71 H new ATOM 0 HG22 THR A 55 7.975 6.130 -6.858 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.484 7.715 -6.229 1.00 11.71 H new ATOM 885 N LEU A 56 8.330 4.033 -3.110 1.00 6.91 N ATOM 886 CA LEU A 56 8.807 3.092 -2.138 1.00 8.29 C ATOM 887 C LEU A 56 10.204 3.395 -1.579 1.00 8.05 C ATOM 888 O LEU A 56 10.536 3.284 -0.383 1.00 10.17 O ATOM 889 CB LEU A 56 8.795 1.699 -2.856 1.00 6.60 C ATOM 890 CG LEU A 56 7.361 1.107 -3.025 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.262 0.402 -4.403 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.993 0.062 -1.866 1.00 8.64 C ATOM 0 H LEU A 56 8.107 3.607 -4.010 1.00 6.91 H new ATOM 0 HA LEU A 56 8.160 3.132 -1.262 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.258 1.800 -3.838 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.405 0.998 -2.286 1.00 6.60 H new ATOM 0 HG LEU A 56 6.651 1.932 -2.960 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.262 -0.014 -4.528 1.00 9.85 H new ATOM 0 HD12 LEU A 56 7.456 1.124 -5.196 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.998 -0.400 -4.455 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.986 -0.321 -2.028 1.00 8.64 H new ATOM 0 HD22 LEU A 56 7.703 -0.765 -1.883 1.00 8.64 H new ATOM 0 HD23 LEU A 56 7.040 0.561 -0.898 1.00 8.64 H new ATOM 904 N SER A 57 11.059 3.887 -2.415 1.00 8.92 N ATOM 905 CA SER A 57 12.375 4.434 -2.068 1.00 9.00 C ATOM 906 C SER A 57 12.372 5.679 -1.241 1.00 9.44 C ATOM 907 O SER A 57 13.157 5.772 -0.316 1.00 10.91 O ATOM 908 CB SER A 57 13.381 4.579 -3.248 1.00 10.32 C ATOM 909 OG SER A 57 12.933 5.541 -4.195 1.00 13.59 O ATOM 0 H SER A 57 10.870 3.931 -3.416 1.00 8.92 H new ATOM 0 HA SER A 57 12.742 3.632 -1.428 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.357 4.873 -2.862 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.510 3.615 -3.739 1.00 10.32 H new ATOM 0 HG SER A 57 13.585 5.612 -4.923 1.00 13.59 H new ATOM 915 N ASP A 58 11.461 6.630 -1.482 1.00 9.11 N ATOM 916 CA ASP A 58 11.297 7.890 -0.708 1.00 7.91 C ATOM 917 C ASP A 58 10.852 7.585 0.782 1.00 9.12 C ATOM 918 O ASP A 58 11.437 8.136 1.737 1.00 8.61 O ATOM 919 CB ASP A 58 10.230 8.772 -1.404 1.00 8.41 C ATOM 920 CG ASP A 58 10.174 10.165 -0.892 1.00 11.50 C ATOM 921 OD1 ASP A 58 10.902 10.536 0.046 1.00 10.05 O ATOM 922 OD2 ASP A 58 9.317 10.925 -1.374 1.00 11.70 O ATOM 0 H ASP A 58 10.789 6.551 -2.245 1.00 9.11 H new ATOM 0 HA ASP A 58 12.253 8.413 -0.676 1.00 7.91 H new ATOM 0 HB2 ASP A 58 10.435 8.797 -2.474 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.251 8.309 -1.277 1.00 8.41 H new ATOM 927 N TYR A 59 10.039 6.545 0.967 1.00 7.97 N ATOM 928 CA TYR A 59 9.499 6.130 2.231 1.00 8.45 C ATOM 929 C TYR A 59 10.342 4.978 2.828 1.00 10.98 C ATOM 930 O TYR A 59 10.095 4.464 3.909 1.00 12.95 O ATOM 931 CB TYR A 59 8.005 5.760 2.223 1.00 7.94 C ATOM 932 CG TYR A 59 7.047 6.957 2.063 1.00 6.91 C ATOM 933 CD1 TYR A 59 7.054 8.014 2.970 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.067 6.923 1.048 1.00 6.98 C ATOM 935 CE1 TYR A 59 6.115 9.042 2.850 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.061 7.919 0.960 1.00 6.52 C ATOM 937 CZ TYR A 59 5.082 8.982 1.882 1.00 6.76 C ATOM 938 OH TYR A 59 4.109 10.012 1.793 1.00 7.63 O ATOM 0 H TYR A 59 9.734 5.952 0.195 1.00 7.97 H new ATOM 0 HA TYR A 59 9.562 7.014 2.866 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.823 5.055 1.411 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.767 5.243 3.153 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.784 8.039 3.765 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.083 6.122 0.323 1.00 6.98 H new ATOM 0 HE1 TYR A 59 6.178 9.897 3.507 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.295 7.863 0.201 1.00 6.52 H new ATOM 0 HH TYR A 59 4.505 10.861 2.080 1.00 7.63 H new ATOM 948 N ASN A 60 11.499 4.647 2.152 1.00 12.38 N ATOM 949 CA ASN A 60 12.375 3.614 2.618 1.00 13.94 C ATOM 950 C ASN A 60 11.732 2.272 2.840 1.00 14.16 C ATOM 951 O ASN A 60 11.956 1.564 3.829 1.00 14.26 O ATOM 952 CB ASN A 60 13.133 4.096 3.878 1.00 19.23 C ATOM 953 CG ASN A 60 13.808 5.439 3.515 1.00 22.65 C ATOM 954 OD1 ASN A 60 13.497 6.437 4.218 1.00 25.45 O ATOM 955 ND2 ASN A 60 14.753 5.533 2.574 1.00 24.09 N ATOM 0 H ASN A 60 11.806 5.103 1.293 1.00 12.38 H new ATOM 0 HA ASN A 60 13.077 3.434 1.804 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.447 4.223 4.715 1.00 19.23 H new ATOM 0 HB3 ASN A 60 13.877 3.361 4.185 1.00 19.23 H new ATOM 0 HD21 ASN A 60 15.231 6.420 2.419 1.00 24.09 H new ATOM 0 HD22 ASN A 60 14.996 4.717 2.012 1.00 24.09 H new ATOM 962 N ILE A 61 10.860 1.844 1.886 1.00 11.08 N ATOM 963 CA ILE A 61 10.223 0.554 1.925 1.00 11.78 C ATOM 964 C ILE A 61 11.072 -0.461 1.240 1.00 13.74 C ATOM 965 O ILE A 61 11.317 -0.444 0.010 1.00 14.60 O ATOM 966 CB ILE A 61 8.806 0.653 1.442 1.00 11.80 C ATOM 967 CG1 ILE A 61 7.967 1.677 2.255 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.151 -0.763 1.713 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.572 1.917 1.600 1.00 11.42 C ATOM 0 H ILE A 61 10.597 2.407 1.077 1.00 11.08 H new ATOM 0 HA ILE A 61 10.137 0.197 2.951 1.00 11.78 H new ATOM 0 HB ILE A 61 8.815 0.963 0.397 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.835 1.314 3.274 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.507 2.621 2.321 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.113 -0.753 1.380 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.700 -1.529 1.165 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.188 -0.983 2.780 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.011 2.638 2.194 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.706 2.304 0.590 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.023 0.976 1.558 1.00 11.42 H new ATOM 981 N GLN A 62 11.599 -1.387 2.058 1.00 13.97 N ATOM 982 CA GLN A 62 12.494 -2.465 1.741 1.00 15.52 C ATOM 983 C GLN A 62 11.898 -3.874 1.813 1.00 13.94 C ATOM 984 O GLN A 62 10.853 -4.110 2.434 1.00 12.15 O ATOM 985 CB GLN A 62 13.747 -2.455 2.616 1.00 19.53 C ATOM 986 CG GLN A 62 14.764 -1.351 2.317 1.00 26.38 C ATOM 987 CD GLN A 62 15.759 -1.282 3.471 1.00 30.61 C ATOM 988 OE1 GLN A 62 15.367 -1.302 4.624 1.00 33.23 O ATOM 989 NE2 GLN A 62 17.054 -1.229 3.079 1.00 32.71 N ATOM 0 H GLN A 62 11.374 -1.381 3.053 1.00 13.97 H new ATOM 0 HA GLN A 62 12.733 -2.262 0.697 1.00 15.52 H new ATOM 0 HB2 GLN A 62 13.438 -2.365 3.657 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.246 -3.419 2.513 1.00 19.53 H new ATOM 0 HG2 GLN A 62 15.283 -1.558 1.381 1.00 26.38 H new ATOM 0 HG3 GLN A 62 14.258 -0.393 2.196 1.00 26.38 H new ATOM 0 HE21 GLN A 62 17.286 -1.216 2.086 1.00 32.71 H new ATOM 0 HE22 GLN A 62 17.797 -1.202 3.777 1.00 32.71 H new ATOM 998 N LYS A 63 12.477 -4.829 1.180 1.00 11.73 N ATOM 999 CA LYS A 63 12.198 -6.254 1.325 1.00 11.97 C ATOM 1000 C LYS A 63 11.651 -6.815 2.668 1.00 10.41 C ATOM 1001 O LYS A 63 12.312 -6.743 3.735 1.00 9.59 O ATOM 1002 CB LYS A 63 13.497 -7.001 0.874 1.00 13.73 C ATOM 1003 CG LYS A 63 13.253 -8.521 0.659 1.00 16.98 C ATOM 1004 CD LYS A 63 14.421 -9.093 -0.112 1.00 20.19 C ATOM 1005 CE LYS A 63 14.578 -10.665 -0.200 1.00 23.42 C ATOM 1006 NZ LYS A 63 13.515 -11.353 -0.877 1.00 25.97 N ATOM 0 H LYS A 63 13.211 -4.648 0.496 1.00 11.73 H new ATOM 0 HA LYS A 63 11.322 -6.435 0.702 1.00 11.97 H new ATOM 0 HB2 LYS A 63 13.866 -6.559 -0.052 1.00 13.73 H new ATOM 0 HB3 LYS A 63 14.274 -6.862 1.626 1.00 13.73 H new ATOM 0 HG2 LYS A 63 13.149 -9.027 1.619 1.00 16.98 H new ATOM 0 HG3 LYS A 63 12.324 -8.681 0.112 1.00 16.98 H new ATOM 0 HD2 LYS A 63 14.364 -8.709 -1.131 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.335 -8.694 0.328 1.00 20.19 H new ATOM 0 HE2 LYS A 63 15.516 -10.892 -0.707 1.00 23.42 H new ATOM 0 HE3 LYS A 63 14.659 -11.062 0.812 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 13.710 -12.375 -0.882 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 12.617 -11.174 -0.384 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 13.447 -11.009 -1.856 1.00 25.97 H new ATOM 1020 N GLU A 64 10.449 -7.498 2.587 1.00 10.04 N ATOM 1021 CA GLU A 64 9.733 -8.156 3.667 1.00 10.94 C ATOM 1022 C GLU A 64 9.120 -7.271 4.710 1.00 9.74 C ATOM 1023 O GLU A 64 8.837 -7.754 5.795 1.00 9.42 O ATOM 1024 CB GLU A 64 10.440 -9.444 4.285 1.00 18.31 C ATOM 1025 CG GLU A 64 10.672 -10.511 3.259 1.00 24.16 C ATOM 1026 CD GLU A 64 11.455 -11.749 3.765 1.00 29.00 C ATOM 1027 OE1 GLU A 64 11.241 -12.122 4.954 1.00 31.72 O ATOM 1028 OE2 GLU A 64 12.315 -12.307 3.027 1.00 32.61 O ATOM 0 H GLU A 64 9.956 -7.588 1.699 1.00 10.04 H new ATOM 0 HA GLU A 64 8.875 -8.538 3.113 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.393 -9.155 4.728 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.823 -9.844 5.089 1.00 18.31 H new ATOM 0 HG2 GLU A 64 9.706 -10.842 2.877 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.214 -10.075 2.420 1.00 24.16 H new ATOM 1035 N SER A 65 8.960 -5.916 4.505 1.00 6.85 N ATOM 1036 CA SER A 65 8.236 -5.047 5.348 1.00 6.90 C ATOM 1037 C SER A 65 6.778 -5.285 5.409 1.00 4.72 C ATOM 1038 O SER A 65 6.159 -5.775 4.477 1.00 3.91 O ATOM 1039 CB SER A 65 8.511 -3.541 5.035 1.00 7.28 C ATOM 1040 OG SER A 65 9.860 -3.265 5.330 1.00 10.56 O ATOM 0 H SER A 65 9.369 -5.437 3.703 1.00 6.85 H new ATOM 0 HA SER A 65 8.624 -5.291 6.337 1.00 6.90 H new ATOM 0 HB2 SER A 65 8.300 -3.327 3.987 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.855 -2.904 5.629 1.00 7.28 H new ATOM 0 HG SER A 65 10.415 -3.474 4.550 1.00 10.56 H new ATOM 1046 N THR A 66 6.165 -4.926 6.546 1.00 4.48 N ATOM 1047 CA THR A 66 4.731 -4.943 6.699 1.00 3.80 C ATOM 1048 C THR A 66 4.048 -3.600 6.541 1.00 4.60 C ATOM 1049 O THR A 66 4.276 -2.676 7.284 1.00 5.33 O ATOM 1050 CB THR A 66 4.178 -5.588 7.983 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.785 -6.845 8.170 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.623 -5.711 8.062 1.00 3.40 C ATOM 0 H THR A 66 6.665 -4.617 7.379 1.00 4.48 H new ATOM 0 HA THR A 66 4.482 -5.590 5.858 1.00 3.80 H new ATOM 0 HB THR A 66 4.433 -4.902 8.791 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.437 -7.258 8.988 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.342 -6.178 9.006 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.176 -4.719 8.001 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.264 -6.322 7.234 1.00 3.40 H new ATOM 1060 N LEU A 67 3.162 -3.513 5.560 1.00 4.17 N ATOM 1061 CA LEU A 67 2.352 -2.371 5.151 1.00 3.85 C ATOM 1062 C LEU A 67 0.959 -2.671 5.706 1.00 3.80 C ATOM 1063 O LEU A 67 0.609 -3.813 5.990 1.00 5.54 O ATOM 1064 CB LEU A 67 2.399 -2.245 3.657 1.00 7.18 C ATOM 1065 CG LEU A 67 3.602 -1.545 2.992 1.00 9.67 C ATOM 1066 CD1 LEU A 67 4.957 -2.257 3.270 1.00 8.12 C ATOM 1067 CD2 LEU A 67 3.313 -1.490 1.499 1.00 11.66 C ATOM 0 H LEU A 67 2.972 -4.323 4.969 1.00 4.17 H new ATOM 0 HA LEU A 67 2.700 -1.410 5.530 1.00 3.85 H new ATOM 0 HB2 LEU A 67 2.336 -3.251 3.242 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.499 -1.715 3.345 1.00 7.18 H new ATOM 0 HG LEU A 67 3.715 -0.547 3.415 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.762 -1.714 2.774 1.00 8.12 H new ATOM 0 HD12 LEU A 67 5.143 -2.280 4.344 1.00 8.12 H new ATOM 0 HD13 LEU A 67 4.917 -3.277 2.887 1.00 8.12 H new ATOM 0 HD21 LEU A 67 4.141 -1.001 0.986 1.00 11.66 H new ATOM 0 HD22 LEU A 67 3.195 -2.503 1.114 1.00 11.66 H new ATOM 0 HD23 LEU A 67 2.396 -0.927 1.326 1.00 11.66 H new ATOM 1079 N HIS A 68 0.199 -1.647 5.847 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.115 -1.629 6.484 1.00 4.17 C ATOM 1081 C HIS A 68 -2.003 -0.990 5.548 1.00 5.32 C ATOM 1082 O HIS A 68 -1.748 0.127 5.060 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.059 -0.890 7.858 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.371 -1.718 8.957 1.00 9.95 C ATOM 1085 ND1 HIS A 68 -0.857 -2.920 9.504 1.00 13.74 N ATOM 1086 CD2 HIS A 68 0.832 -1.540 9.609 1.00 12.79 C ATOM 1087 CE1 HIS A 68 -0.001 -3.329 10.454 1.00 14.75 C ATOM 1088 NE2 HIS A 68 1.038 -2.541 10.573 1.00 16.30 N ATOM 0 H HIS A 68 0.475 -0.726 5.506 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.469 -2.634 6.713 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -0.528 0.054 7.735 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.073 -0.646 8.175 1.00 5.57 H new ATOM 0 HD2 HIS A 68 1.524 -0.737 9.405 1.00 12.79 H new ATOM 0 HE1 HIS A 68 -0.153 -4.213 11.055 1.00 14.75 H new ATOM 0 HE2 HIS A 68 1.821 -2.633 11.220 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.130 -1.627 5.189 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.090 -1.128 4.216 1.00 3.97 C ATOM 1098 C LEU A 69 -5.283 -0.835 5.063 1.00 5.07 C ATOM 1099 O LEU A 69 -5.733 -1.760 5.757 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.354 -2.145 3.056 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.620 -2.000 2.163 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.577 -0.733 1.274 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.983 -3.266 1.435 1.00 9.96 C ATOM 0 H LEU A 69 -3.397 -2.528 5.585 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.749 -0.249 3.669 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.487 -2.115 2.396 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.383 -3.141 3.499 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.459 -1.838 2.840 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.484 -0.680 0.671 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.509 0.153 1.906 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.708 -0.778 0.618 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.874 -3.096 0.831 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -5.158 -3.563 0.788 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.180 -4.058 2.158 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.882 0.370 5.035 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.184 0.695 5.623 1.00 6.26 C ATOM 1117 C VAL A 70 -8.088 0.985 4.412 1.00 9.22 C ATOM 1118 O VAL A 70 -7.836 0.486 3.305 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.183 1.825 6.741 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -6.666 1.245 8.050 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.433 3.062 6.206 1.00 8.54 C ATOM 0 H VAL A 70 -5.449 1.174 4.581 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.555 -0.138 6.220 1.00 6.26 H new ATOM 0 HB VAL A 70 -8.188 2.178 6.973 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -6.665 2.020 8.816 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -7.311 0.424 8.364 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -5.651 0.875 7.908 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.428 3.842 6.967 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -5.407 2.788 5.961 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -6.933 3.432 5.311 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.082 1.910 4.655 1.00 12.71 N ATOM 1132 CA LEU A 71 -9.808 2.440 3.563 1.00 16.06 C ATOM 1133 C LEU A 71 -9.861 3.901 3.565 1.00 18.09 C ATOM 1134 O LEU A 71 -9.609 4.556 4.571 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.272 1.924 3.615 1.00 17.10 C ATOM 1136 CG LEU A 71 -11.531 0.441 3.495 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -13.000 0.155 3.820 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -11.140 -0.122 2.149 1.00 19.57 C ATOM 0 H LEU A 71 -9.351 2.258 5.575 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.288 2.114 2.662 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.705 2.258 4.558 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.824 2.420 2.817 1.00 17.10 H new ATOM 0 HG LEU A 71 -10.893 -0.068 4.218 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -13.190 -0.915 3.734 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -13.218 0.482 4.837 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -13.639 0.694 3.121 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -11.351 -1.191 2.127 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -11.711 0.377 1.366 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -10.075 0.041 1.982 1.00 19.57 H new