USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 629 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 -69:sc= 1.09 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 7 THR OG1 : rot 180:sc= 0.264 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -169:sc= 1.47 (180deg=1.35) USER MOD Single : A 2 GLN : amide:sc= 0.21 K(o=0.21,f=-0.43) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 151:sc= -0.185 (180deg=-0.619) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.349 USER MOD Single : A 14 THR OG1 : rot -69:sc= 0.411 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0483 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 1.09 K(o=1.1,f=-0.57) USER MOD Single : A 27 LYS NZ :NH3+ -150:sc= 1.21 (180deg=1.2) USER MOD Single : A 29 LYS NZ :NH3+ -153:sc= 0.0349 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.0198 K(o=-0.02,f=-1.2) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-0.98) USER MOD Single : A 41 GLN : amide:sc= 1.97 K(o=2,f=-2.3) 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) USER MOD Single : A 59 TYR OH : rot 130:sc= -0.131 USER MOD Single : A 60 ASN : amide:sc= -0.0352 X(o=-0.035,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.04) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 106:sc= 1.22 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= 0.192 K(o=0.19,f=-0.99) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.866 -6.262 -4.623 1.00 9.67 N ATOM 2 CA MET A 1 11.855 -6.400 -3.108 1.00 10.38 C ATOM 3 C MET A 1 10.395 -6.833 -2.825 1.00 9.62 C ATOM 4 O MET A 1 9.496 -6.609 -3.596 1.00 9.62 O ATOM 5 CB MET A 1 12.196 -4.987 -2.499 1.00 13.77 C ATOM 6 CG MET A 1 12.072 -4.902 -0.901 1.00 16.29 C ATOM 7 SD MET A 1 12.601 -3.376 -0.064 1.00 17.17 S ATOM 8 CE MET A 1 11.081 -2.384 -0.197 1.00 16.11 C ATOM 0 H1 MET A 1 12.846 -6.154 -4.955 1.00 9.67 H new ATOM 0 H2 MET A 1 11.447 -7.112 -5.052 1.00 9.67 H new ATOM 0 H3 MET A 1 11.313 -5.426 -4.899 1.00 9.67 H new ATOM 0 HA MET A 1 12.570 -7.104 -2.683 1.00 10.38 H new ATOM 0 HB2 MET A 1 13.212 -4.717 -2.787 1.00 13.77 H new ATOM 0 HB3 MET A 1 11.532 -4.245 -2.942 1.00 13.77 H new ATOM 0 HG2 MET A 1 11.028 -5.077 -0.641 1.00 16.29 H new ATOM 0 HG3 MET A 1 12.648 -5.726 -0.480 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.239 -1.412 0.271 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.829 -2.244 -1.248 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.264 -2.901 0.306 1.00 16.11 H new ATOM 20 N GLN A 2 10.240 -7.632 -1.731 1.00 9.27 N ATOM 21 CA GLN A 2 8.941 -8.125 -1.329 1.00 9.07 C ATOM 22 C GLN A 2 8.481 -7.623 -0.053 1.00 8.72 C ATOM 23 O GLN A 2 9.265 -7.602 0.896 1.00 8.22 O ATOM 24 CB GLN A 2 8.980 -9.624 -1.348 1.00 14.46 C ATOM 25 CG GLN A 2 9.356 -10.175 -2.741 1.00 17.01 C ATOM 26 CD GLN A 2 9.540 -11.627 -2.744 1.00 20.10 C ATOM 27 OE1 GLN A 2 9.046 -12.387 -1.887 1.00 21.89 O ATOM 28 NE2 GLN A 2 10.239 -12.141 -3.791 1.00 19.49 N ATOM 0 H GLN A 2 11.009 -7.933 -1.132 1.00 9.27 H new ATOM 0 HA GLN A 2 8.209 -7.749 -2.044 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.702 -9.977 -0.611 1.00 14.46 H new ATOM 0 HB3 GLN A 2 8.006 -10.016 -1.054 1.00 14.46 H new ATOM 0 HG2 GLN A 2 8.576 -9.910 -3.454 1.00 17.01 H new ATOM 0 HG3 GLN A 2 10.274 -9.696 -3.081 1.00 17.01 H new ATOM 0 HE21 GLN A 2 10.642 -11.517 -4.490 1.00 19.49 H new ATOM 0 HE22 GLN A 2 10.360 -13.150 -3.877 1.00 19.49 H new ATOM 37 N ILE A 3 7.207 -7.088 0.065 1.00 5.87 N ATOM 38 CA ILE A 3 6.610 -6.483 1.224 1.00 5.07 C ATOM 39 C ILE A 3 5.196 -7.037 1.298 1.00 4.01 C ATOM 40 O ILE A 3 4.544 -7.495 0.370 1.00 4.61 O ATOM 41 CB ILE A 3 6.460 -4.927 1.158 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.934 -4.581 -0.231 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.750 -4.190 1.378 1.00 5.58 C ATOM 44 CD1 ILE A 3 5.367 -3.183 -0.410 1.00 10.83 C ATOM 0 H ILE A 3 6.564 -7.091 -0.727 1.00 5.87 H new ATOM 0 HA ILE A 3 7.257 -6.705 2.072 1.00 5.07 H new ATOM 0 HB ILE A 3 5.785 -4.621 1.957 1.00 6.55 H new ATOM 0 HG12 ILE A 3 6.745 -4.715 -0.947 1.00 4.72 H new ATOM 0 HG13 ILE A 3 5.158 -5.300 -0.491 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.570 -3.117 1.318 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.147 -4.437 2.362 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.470 -4.480 0.613 1.00 5.58 H new ATOM 0 HD11 ILE A 3 5.026 -3.057 -1.438 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.528 -3.041 0.271 1.00 10.83 H new ATOM 0 HD13 ILE A 3 6.140 -2.446 -0.192 1.00 10.83 H new ATOM 56 N PHE A 4 4.694 -6.974 2.559 1.00 4.55 N ATOM 57 CA PHE A 4 3.401 -7.516 2.901 1.00 4.68 C ATOM 58 C PHE A 4 2.378 -6.302 2.969 1.00 5.30 C ATOM 59 O PHE A 4 2.716 -5.111 3.182 1.00 5.58 O ATOM 60 CB PHE A 4 3.331 -8.241 4.282 1.00 4.83 C ATOM 61 CG PHE A 4 4.352 -9.318 4.401 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.449 -10.295 3.339 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.260 -9.416 5.471 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.345 -11.380 3.392 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.258 -10.440 5.460 1.00 10.61 C ATOM 66 CZ PHE A 4 6.263 -11.429 4.487 1.00 8.90 C ATOM 0 H PHE A 4 5.187 -6.546 3.343 1.00 4.55 H new ATOM 0 HA PHE A 4 3.172 -8.261 2.139 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.477 -7.514 5.081 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.337 -8.668 4.417 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.811 -10.189 2.474 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.204 -8.722 6.296 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.339 -12.148 2.633 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.022 -10.444 6.223 1.00 10.61 H new ATOM 0 HZ PHE A 4 6.968 -12.244 4.557 1.00 8.90 H new ATOM 76 N VAL A 5 1.136 -6.598 2.695 1.00 4.44 N ATOM 77 CA VAL A 5 -0.066 -5.732 2.873 1.00 3.87 C ATOM 78 C VAL A 5 -1.033 -6.543 3.663 1.00 4.93 C ATOM 79 O VAL A 5 -1.325 -7.668 3.326 1.00 6.84 O ATOM 80 CB VAL A 5 -0.652 -5.181 1.606 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.745 -4.163 1.980 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.530 -4.629 0.795 1.00 9.13 C ATOM 0 H VAL A 5 0.888 -7.510 2.312 1.00 4.44 H new ATOM 0 HA VAL A 5 0.217 -4.818 3.395 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.157 -5.915 0.978 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.184 -3.750 1.072 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.520 -4.659 2.564 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.306 -3.358 2.569 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.164 -4.212 -0.143 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.031 -3.849 1.368 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.234 -5.434 0.584 1.00 9.13 H new ATOM 92 N LYS A 6 -1.542 -5.980 4.770 1.00 6.04 N ATOM 93 CA LYS A 6 -2.377 -6.722 5.680 1.00 6.12 C ATOM 94 C LYS A 6 -3.758 -6.064 5.795 1.00 6.57 C ATOM 95 O LYS A 6 -3.879 -4.921 6.191 1.00 5.76 O ATOM 96 CB LYS A 6 -1.688 -6.902 7.044 1.00 7.45 C ATOM 97 CG LYS A 6 -2.472 -7.828 7.941 1.00 11.12 C ATOM 98 CD LYS A 6 -1.606 -8.364 9.067 1.00 14.54 C ATOM 99 CE LYS A 6 -2.145 -9.643 9.732 1.00 18.84 C ATOM 100 NZ LYS A 6 -1.138 -10.147 10.662 1.00 20.55 N ATOM 0 H LYS A 6 -1.380 -5.010 5.042 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.531 -7.724 5.280 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.684 -7.300 6.896 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -1.578 -5.932 7.528 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -3.328 -7.297 8.358 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -2.867 -8.658 7.355 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -0.608 -8.565 8.677 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -1.501 -7.590 9.828 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -3.075 -9.431 10.260 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -2.372 -10.395 8.976 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -1.490 -11.012 11.119 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -0.262 -10.361 10.143 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.944 -9.427 11.387 1.00 20.55 H new ATOM 114 N THR A 7 -4.808 -6.808 5.373 1.00 7.41 N ATOM 115 CA THR A 7 -6.150 -6.278 5.074 1.00 7.48 C ATOM 116 C THR A 7 -7.028 -6.090 6.408 1.00 8.75 C ATOM 117 O THR A 7 -6.685 -6.616 7.452 1.00 8.58 O ATOM 118 CB THR A 7 -6.969 -7.094 4.065 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.286 -8.380 4.630 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.257 -7.351 2.739 1.00 9.17 C ATOM 0 H THR A 7 -4.739 -7.815 5.229 1.00 7.41 H new ATOM 0 HA THR A 7 -5.940 -5.315 4.608 1.00 7.48 H new ATOM 0 HB THR A 7 -7.854 -6.493 3.859 1.00 9.61 H new ATOM 0 HG1 THR A 7 -7.810 -8.900 3.986 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.906 -7.934 2.085 1.00 9.17 H new ATOM 0 HG22 THR A 7 -6.021 -6.400 2.262 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.335 -7.904 2.922 1.00 9.17 H new ATOM 128 N LEU A 8 -8.252 -5.474 6.336 1.00 9.84 N ATOM 129 CA LEU A 8 -9.168 -5.294 7.494 1.00 14.15 C ATOM 130 C LEU A 8 -9.654 -6.639 8.044 1.00 17.37 C ATOM 131 O LEU A 8 -9.880 -6.772 9.265 1.00 17.01 O ATOM 132 CB LEU A 8 -10.359 -4.380 7.183 1.00 16.63 C ATOM 133 CG LEU A 8 -9.934 -2.982 6.668 1.00 18.88 C ATOM 134 CD1 LEU A 8 -11.252 -2.293 6.309 1.00 19.31 C ATOM 135 CD2 LEU A 8 -9.212 -2.262 7.842 1.00 18.59 C ATOM 0 H LEU A 8 -8.624 -5.090 5.467 1.00 9.84 H new ATOM 0 HA LEU A 8 -8.577 -4.796 8.263 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -10.992 -4.859 6.436 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.963 -4.261 8.083 1.00 16.63 H new ATOM 0 HG LEU A 8 -9.260 -2.993 5.812 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -11.048 -1.291 5.933 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -11.767 -2.871 5.542 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -11.881 -2.226 7.197 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -8.895 -1.270 7.521 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -9.895 -2.169 8.687 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -8.339 -2.842 8.143 1.00 18.59 H new ATOM 147 N THR A 9 -9.828 -7.626 7.197 1.00 18.33 N ATOM 148 CA THR A 9 -10.162 -8.958 7.582 1.00 19.24 C ATOM 149 C THR A 9 -8.976 -9.844 7.908 1.00 19.48 C ATOM 150 O THR A 9 -9.084 -11.019 7.993 1.00 23.14 O ATOM 151 CB THR A 9 -10.975 -9.757 6.552 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.217 -10.066 5.350 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.212 -8.937 6.249 1.00 19.70 C ATOM 0 H THR A 9 -9.735 -7.509 6.188 1.00 18.33 H new ATOM 0 HA THR A 9 -10.759 -8.749 8.470 1.00 19.24 H new ATOM 0 HB THR A 9 -11.243 -10.731 6.961 1.00 18.97 H new ATOM 0 HG1 THR A 9 -10.780 -10.576 4.730 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.827 -9.463 5.519 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.784 -8.789 7.165 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.917 -7.969 5.845 1.00 19.70 H new ATOM 161 N GLY A 10 -7.825 -9.201 8.112 1.00 19.43 N ATOM 162 CA GLY A 10 -6.628 -9.848 8.646 1.00 18.74 C ATOM 163 C GLY A 10 -5.850 -10.612 7.617 1.00 17.62 C ATOM 164 O GLY A 10 -4.870 -11.271 7.946 1.00 19.74 O ATOM 0 H GLY A 10 -7.698 -8.209 7.909 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -5.982 -9.090 9.089 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -6.919 -10.527 9.448 1.00 18.74 H new ATOM 168 N LYS A 11 -6.220 -10.530 6.336 1.00 13.56 N ATOM 169 CA LYS A 11 -5.444 -11.296 5.318 1.00 11.91 C ATOM 170 C LYS A 11 -4.149 -10.570 4.961 1.00 10.18 C ATOM 171 O LYS A 11 -4.116 -9.431 4.511 1.00 9.10 O ATOM 172 CB LYS A 11 -6.204 -11.544 4.008 1.00 13.43 C ATOM 173 CG LYS A 11 -5.505 -12.499 3.005 1.00 16.69 C ATOM 174 CD LYS A 11 -6.217 -12.587 1.643 1.00 17.92 C ATOM 175 CE LYS A 11 -5.633 -13.715 0.746 1.00 20.81 C ATOM 176 NZ LYS A 11 -5.481 -14.991 1.476 1.00 21.93 N ATOM 0 H LYS A 11 -7.001 -9.980 5.979 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.249 -12.259 5.789 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.186 -11.952 4.249 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.369 -10.585 3.516 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -4.480 -12.162 2.849 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -5.450 -13.496 3.443 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -7.280 -12.766 1.802 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -6.128 -11.631 1.126 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -6.285 -13.867 -0.114 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -4.663 -13.403 0.359 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -5.573 -15.785 0.810 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -4.544 -15.024 1.926 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -6.218 -15.063 2.206 1.00 21.93 H new ATOM 190 N THR A 12 -3.018 -11.349 5.146 1.00 9.63 N ATOM 191 CA THR A 12 -1.681 -10.913 4.821 1.00 9.85 C ATOM 192 C THR A 12 -1.324 -11.449 3.466 1.00 11.66 C ATOM 193 O THR A 12 -1.379 -12.651 3.255 1.00 12.33 O ATOM 194 CB THR A 12 -0.591 -11.262 5.856 1.00 10.85 C ATOM 195 OG1 THR A 12 -0.943 -10.892 7.148 1.00 10.91 O ATOM 196 CG2 THR A 12 0.734 -10.765 5.528 1.00 9.63 C ATOM 0 H THR A 12 -3.054 -12.294 5.529 1.00 9.63 H new ATOM 0 HA THR A 12 -1.703 -9.823 4.830 1.00 9.85 H new ATOM 0 HB THR A 12 -0.529 -12.349 5.812 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.222 -11.135 7.766 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.436 -11.057 6.309 1.00 9.63 H new ATOM 0 HG22 THR A 12 1.055 -11.187 4.576 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.706 -9.678 5.452 1.00 9.63 H new ATOM 204 N ILE A 13 -0.904 -10.501 2.551 1.00 10.42 N ATOM 205 CA ILE A 13 -0.681 -10.806 1.181 1.00 11.84 C ATOM 206 C ILE A 13 0.690 -10.187 0.752 1.00 10.55 C ATOM 207 O ILE A 13 1.017 -9.044 1.116 1.00 11.92 O ATOM 208 CB ILE A 13 -1.704 -10.219 0.245 1.00 14.86 C ATOM 209 CG1 ILE A 13 -1.997 -8.714 0.258 1.00 14.87 C ATOM 210 CG2 ILE A 13 -2.990 -11.021 0.539 1.00 17.08 C ATOM 211 CD1 ILE A 13 -2.844 -8.244 -0.916 1.00 16.46 C ATOM 0 H ILE A 13 -0.727 -9.526 2.793 1.00 10.42 H new ATOM 0 HA ILE A 13 -0.725 -11.893 1.107 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.283 -10.307 -0.757 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -2.508 -8.461 1.187 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -1.053 -8.169 0.254 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -3.797 -10.662 -0.100 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -2.813 -12.078 0.340 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -3.269 -10.890 1.584 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -3.009 -7.169 -0.838 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -2.326 -8.465 -1.850 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -3.804 -8.761 -0.902 1.00 16.46 H new ATOM 223 N THR A 14 1.562 -10.988 0.067 1.00 9.39 N ATOM 224 CA THR A 14 2.842 -10.628 -0.304 1.00 9.63 C ATOM 225 C THR A 14 2.872 -9.989 -1.679 1.00 11.20 C ATOM 226 O THR A 14 2.159 -10.374 -2.567 1.00 11.63 O ATOM 227 CB THR A 14 3.957 -11.699 -0.207 1.00 10.38 C ATOM 228 OG1 THR A 14 3.668 -12.597 0.866 1.00 16.30 O ATOM 229 CG2 THR A 14 5.390 -11.073 -0.035 1.00 11.66 C ATOM 0 H THR A 14 1.317 -11.934 -0.224 1.00 9.39 H new ATOM 0 HA THR A 14 3.096 -9.909 0.475 1.00 9.63 H new ATOM 0 HB THR A 14 3.970 -12.244 -1.151 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.764 -12.127 1.721 1.00 16.30 H new ATOM 0 HG21 THR A 14 6.130 -11.871 0.027 1.00 11.66 H new ATOM 0 HG22 THR A 14 5.614 -10.436 -0.891 1.00 11.66 H new ATOM 0 HG23 THR A 14 5.420 -10.478 0.878 1.00 11.66 H new ATOM 237 N LEU A 15 3.712 -8.971 -1.945 1.00 8.29 N ATOM 238 CA LEU A 15 3.755 -8.225 -3.185 1.00 9.03 C ATOM 239 C LEU A 15 5.199 -7.919 -3.608 1.00 8.59 C ATOM 240 O LEU A 15 6.041 -7.394 -2.877 1.00 7.79 O ATOM 241 CB LEU A 15 3.043 -6.853 -3.174 1.00 11.08 C ATOM 242 CG LEU A 15 1.640 -6.851 -2.599 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.200 -5.423 -2.479 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.603 -7.666 -3.492 1.00 15.27 C ATOM 0 H LEU A 15 4.400 -8.645 -1.266 1.00 8.29 H new ATOM 0 HA LEU A 15 3.231 -8.891 -3.870 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.652 -6.152 -2.603 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.999 -6.478 -4.196 1.00 11.08 H new ATOM 0 HG LEU A 15 1.662 -7.347 -1.629 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.191 -5.386 -2.067 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.881 -4.887 -1.819 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.207 -4.956 -3.464 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.383 -7.629 -3.030 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.554 -7.224 -4.487 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.928 -8.704 -3.571 1.00 15.27 H new ATOM 256 N GLU A 16 5.578 -8.178 -4.825 1.00 11.04 N ATOM 257 CA GLU A 16 6.888 -7.918 -5.385 1.00 11.50 C ATOM 258 C GLU A 16 7.015 -6.601 -6.100 1.00 10.13 C ATOM 259 O GLU A 16 6.333 -6.332 -7.105 1.00 9.83 O ATOM 260 CB GLU A 16 7.271 -9.103 -6.289 1.00 17.22 C ATOM 261 CG GLU A 16 8.471 -8.948 -7.255 1.00 23.33 C ATOM 262 CD GLU A 16 9.785 -8.896 -6.512 1.00 26.99 C ATOM 263 OE1 GLU A 16 10.145 -9.883 -5.793 1.00 28.86 O ATOM 264 OE2 GLU A 16 10.509 -7.924 -6.679 1.00 28.90 O ATOM 0 H GLU A 16 4.946 -8.604 -5.503 1.00 11.04 H new ATOM 0 HA GLU A 16 7.589 -7.827 -4.555 1.00 11.50 H new ATOM 0 HB2 GLU A 16 7.475 -9.958 -5.644 1.00 17.22 H new ATOM 0 HB3 GLU A 16 6.396 -9.357 -6.888 1.00 17.22 H new ATOM 0 HG2 GLU A 16 8.483 -9.782 -7.957 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.349 -8.038 -7.843 1.00 23.33 H new ATOM 271 N VAL A 17 7.885 -5.644 -5.616 1.00 8.99 N ATOM 272 CA VAL A 17 8.044 -4.279 -6.097 1.00 8.85 C ATOM 273 C VAL A 17 9.404 -3.807 -5.804 1.00 8.04 C ATOM 274 O VAL A 17 10.074 -4.082 -4.811 1.00 8.99 O ATOM 275 CB VAL A 17 7.023 -3.257 -5.574 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.746 -3.355 -6.465 1.00 12.05 C ATOM 277 CG2 VAL A 17 6.819 -3.476 -4.115 1.00 10.54 C ATOM 0 H VAL A 17 8.513 -5.847 -4.839 1.00 8.99 H new ATOM 0 HA VAL A 17 7.857 -4.339 -7.169 1.00 8.85 H new ATOM 0 HB VAL A 17 7.366 -2.225 -5.654 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.003 -2.639 -6.115 1.00 12.05 H new ATOM 0 HG12 VAL A 17 6.006 -3.132 -7.500 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.336 -4.363 -6.403 1.00 12.05 H new ATOM 0 HG21 VAL A 17 6.095 -2.754 -3.736 1.00 10.54 H new ATOM 0 HG22 VAL A 17 6.445 -4.486 -3.947 1.00 10.54 H new ATOM 0 HG23 VAL A 17 7.767 -3.348 -3.592 1.00 10.54 H new ATOM 287 N GLU A 18 9.936 -3.032 -6.786 1.00 7.29 N ATOM 288 CA GLU A 18 11.238 -2.320 -6.625 1.00 7.08 C ATOM 289 C GLU A 18 11.053 -1.109 -5.727 1.00 6.45 C ATOM 290 O GLU A 18 9.971 -0.504 -5.726 1.00 5.28 O ATOM 291 CB GLU A 18 11.866 -1.918 -8.001 1.00 10.28 C ATOM 292 CG GLU A 18 12.169 -3.217 -8.864 1.00 12.65 C ATOM 293 CD GLU A 18 13.172 -4.135 -8.164 1.00 14.15 C ATOM 294 OE1 GLU A 18 14.347 -3.745 -7.842 1.00 14.33 O ATOM 295 OE2 GLU A 18 12.901 -5.337 -7.912 1.00 18.17 O ATOM 0 H GLU A 18 9.490 -2.883 -7.691 1.00 7.29 H new ATOM 0 HA GLU A 18 11.942 -3.006 -6.155 1.00 7.08 H new ATOM 0 HB2 GLU A 18 11.184 -1.263 -8.543 1.00 10.28 H new ATOM 0 HB3 GLU A 18 12.786 -1.357 -7.839 1.00 10.28 H new ATOM 0 HG2 GLU A 18 11.241 -3.760 -9.043 1.00 12.65 H new ATOM 0 HG3 GLU A 18 12.561 -2.924 -9.838 1.00 12.65 H new ATOM 302 N PRO A 19 12.049 -0.624 -4.946 1.00 7.24 N ATOM 303 CA PRO A 19 11.859 0.555 -4.121 1.00 7.07 C ATOM 304 C PRO A 19 11.685 1.884 -4.810 1.00 6.65 C ATOM 305 O PRO A 19 11.358 2.783 -4.062 1.00 6.37 O ATOM 306 CB PRO A 19 13.003 0.479 -3.086 1.00 7.61 C ATOM 307 CG PRO A 19 14.138 -0.225 -3.808 1.00 8.16 C ATOM 308 CD PRO A 19 13.407 -1.165 -4.821 1.00 7.49 C ATOM 0 HA PRO A 19 10.873 0.528 -3.657 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.302 1.473 -2.754 1.00 7.61 H new ATOM 0 HB3 PRO A 19 12.696 -0.074 -2.198 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.789 0.485 -4.319 1.00 8.16 H new ATOM 0 HG3 PRO A 19 14.763 -0.790 -3.116 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.916 -1.175 -5.785 1.00 7.49 H new ATOM 0 HD3 PRO A 19 13.388 -2.193 -4.460 1.00 7.49 H new ATOM 316 N SER A 20 11.925 2.024 -6.139 1.00 6.80 N ATOM 317 CA SER A 20 11.699 3.123 -7.002 1.00 6.28 C ATOM 318 C SER A 20 10.305 3.116 -7.542 1.00 8.45 C ATOM 319 O SER A 20 9.858 3.956 -8.303 1.00 7.26 O ATOM 320 CB SER A 20 12.701 3.050 -8.182 1.00 8.57 C ATOM 321 OG SER A 20 12.793 1.724 -8.808 1.00 11.13 O ATOM 0 H SER A 20 12.334 1.247 -6.658 1.00 6.80 H new ATOM 0 HA SER A 20 11.839 4.042 -6.433 1.00 6.28 H new ATOM 0 HB2 SER A 20 12.409 3.778 -8.939 1.00 8.57 H new ATOM 0 HB3 SER A 20 13.689 3.341 -7.825 1.00 8.57 H new ATOM 0 HG SER A 20 13.440 1.754 -9.543 1.00 11.13 H new ATOM 327 N ASP A 21 9.485 2.100 -7.178 1.00 7.50 N ATOM 328 CA ASP A 21 8.069 2.107 -7.568 1.00 7.70 C ATOM 329 C ASP A 21 7.209 2.917 -6.579 1.00 7.08 C ATOM 330 O ASP A 21 7.533 3.210 -5.403 1.00 8.11 O ATOM 331 CB ASP A 21 7.536 0.667 -7.712 1.00 11.00 C ATOM 332 CG ASP A 21 6.743 0.503 -8.958 1.00 15.32 C ATOM 333 OD1 ASP A 21 6.135 1.467 -9.503 1.00 18.03 O ATOM 334 OD2 ASP A 21 6.872 -0.584 -9.522 1.00 14.36 O ATOM 0 H ASP A 21 9.776 1.290 -6.630 1.00 7.50 H new ATOM 0 HA ASP A 21 7.997 2.599 -8.538 1.00 7.70 H new ATOM 0 HB2 ASP A 21 8.372 -0.033 -7.716 1.00 11.00 H new ATOM 0 HB3 ASP A 21 6.917 0.419 -6.850 1.00 11.00 H new ATOM 339 N THR A 22 6.043 3.384 -7.091 1.00 5.37 N ATOM 340 CA THR A 22 5.186 4.298 -6.407 1.00 6.01 C ATOM 341 C THR A 22 4.115 3.554 -5.660 1.00 8.01 C ATOM 342 O THR A 22 3.613 2.522 -6.042 1.00 8.11 O ATOM 343 CB THR A 22 4.418 5.285 -7.320 1.00 8.92 C ATOM 344 OG1 THR A 22 3.700 4.688 -8.376 1.00 10.22 O ATOM 345 CG2 THR A 22 5.517 6.243 -7.909 1.00 9.65 C ATOM 0 H THR A 22 5.694 3.112 -8.010 1.00 5.37 H new ATOM 0 HA THR A 22 5.868 4.856 -5.766 1.00 6.01 H new ATOM 0 HB THR A 22 3.655 5.788 -6.726 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.246 5.383 -8.897 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.048 6.973 -8.568 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.022 6.762 -7.094 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.244 5.659 -8.473 1.00 9.65 H new ATOM 353 N ILE A 23 3.579 4.239 -4.591 1.00 8.32 N ATOM 354 CA ILE A 23 2.450 3.874 -3.713 1.00 9.92 C ATOM 355 C ILE A 23 1.189 3.616 -4.621 1.00 10.01 C ATOM 356 O ILE A 23 0.415 2.645 -4.539 1.00 8.71 O ATOM 357 CB ILE A 23 2.266 4.903 -2.599 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.619 5.235 -1.863 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.117 4.417 -1.651 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.097 4.007 -1.029 1.00 12.30 C ATOM 0 H ILE A 23 3.975 5.137 -4.313 1.00 8.32 H new ATOM 0 HA ILE A 23 2.641 2.947 -3.172 1.00 9.92 H new ATOM 0 HB ILE A 23 1.962 5.860 -3.023 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.381 5.506 -2.594 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.483 6.097 -1.209 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.975 5.143 -0.850 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.193 4.319 -2.220 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.383 3.451 -1.222 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.033 4.251 -0.526 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.340 3.755 -0.286 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.252 3.155 -1.691 1.00 12.30 H new ATOM 372 N GLU A 24 1.019 4.425 -5.692 1.00 9.54 N ATOM 373 CA GLU A 24 -0.005 4.242 -6.698 1.00 11.81 C ATOM 374 C GLU A 24 0.022 2.940 -7.383 1.00 11.14 C ATOM 375 O GLU A 24 -1.014 2.336 -7.547 1.00 10.62 O ATOM 376 CB GLU A 24 0.010 5.455 -7.729 1.00 19.24 C ATOM 377 CG GLU A 24 -1.167 5.438 -8.741 1.00 27.76 C ATOM 378 CD GLU A 24 -1.089 6.311 -10.028 1.00 32.92 C ATOM 379 OE1 GLU A 24 -0.162 7.105 -10.191 1.00 36.51 O ATOM 380 OE2 GLU A 24 -1.980 6.146 -10.880 1.00 34.80 O ATOM 0 H GLU A 24 1.613 5.236 -5.867 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.953 4.237 -6.159 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.016 6.392 -7.172 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.950 5.438 -8.280 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.311 4.405 -9.056 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.066 5.734 -8.200 1.00 27.76 H new ATOM 387 N ASN A 25 1.173 2.418 -7.829 1.00 9.43 N ATOM 388 CA ASN A 25 1.315 1.051 -8.372 1.00 10.96 C ATOM 389 C ASN A 25 1.123 -0.040 -7.334 1.00 9.68 C ATOM 390 O ASN A 25 0.469 -1.055 -7.713 1.00 9.33 O ATOM 391 CB ASN A 25 2.709 1.029 -9.033 1.00 16.78 C ATOM 392 CG ASN A 25 2.701 1.764 -10.378 1.00 22.31 C ATOM 393 OD1 ASN A 25 1.751 2.223 -10.988 1.00 25.66 O ATOM 394 ND2 ASN A 25 3.972 1.867 -10.919 1.00 24.70 N ATOM 0 H ASN A 25 2.050 2.939 -7.824 1.00 9.43 H new ATOM 0 HA ASN A 25 0.528 0.829 -9.092 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.437 1.493 -8.367 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.026 -0.003 -9.182 1.00 16.78 H new ATOM 0 HD21 ASN A 25 4.107 2.324 -11.821 1.00 24.70 H new ATOM 0 HD22 ASN A 25 4.773 1.486 -10.416 1.00 24.70 H new ATOM 401 N VAL A 26 1.573 0.204 -6.110 1.00 6.52 N ATOM 402 CA VAL A 26 1.354 -0.797 -5.094 1.00 5.53 C ATOM 403 C VAL A 26 -0.112 -1.013 -4.765 1.00 4.42 C ATOM 404 O VAL A 26 -0.574 -2.129 -4.643 1.00 3.40 O ATOM 405 CB VAL A 26 2.120 -0.365 -3.797 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.843 -1.369 -2.645 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.636 -0.305 -4.058 1.00 8.12 C ATOM 0 H VAL A 26 2.067 1.045 -5.813 1.00 6.52 H new ATOM 0 HA VAL A 26 1.726 -1.744 -5.484 1.00 5.53 H new ATOM 0 HB VAL A 26 1.764 0.625 -3.511 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.382 -1.055 -1.751 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.774 -1.394 -2.434 1.00 7.25 H new ATOM 0 HG13 VAL A 26 2.178 -2.363 -2.940 1.00 7.25 H new ATOM 0 HG21 VAL A 26 4.151 -0.003 -3.146 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.991 -1.288 -4.367 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.841 0.419 -4.847 1.00 8.12 H new ATOM 417 N LYS A 27 -0.859 0.073 -4.782 1.00 2.64 N ATOM 418 CA LYS A 27 -2.337 0.057 -4.655 1.00 4.14 C ATOM 419 C LYS A 27 -2.904 -0.747 -5.836 1.00 5.58 C ATOM 420 O LYS A 27 -3.855 -1.513 -5.718 1.00 4.11 O ATOM 421 CB LYS A 27 -2.895 1.471 -4.654 1.00 3.97 C ATOM 422 CG LYS A 27 -2.574 2.272 -3.413 1.00 7.45 C ATOM 423 CD LYS A 27 -3.023 3.717 -3.473 1.00 9.02 C ATOM 424 CE LYS A 27 -3.130 4.357 -2.116 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.698 5.745 -2.267 1.00 15.47 N ATOM 0 H LYS A 27 -0.471 1.011 -4.885 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.625 -0.405 -3.711 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.507 2.001 -5.524 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -3.978 1.421 -4.768 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.043 1.793 -2.554 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.497 2.245 -3.245 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -2.320 4.285 -4.082 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -3.991 3.770 -3.971 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.769 3.758 -1.467 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -2.149 4.402 -1.643 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.328 6.356 -1.511 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.423 6.134 -3.191 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.735 5.704 -2.203 1.00 15.47 H new ATOM 439 N ALA A 28 -2.340 -0.546 -7.027 1.00 6.61 N ATOM 440 CA ALA A 28 -2.839 -1.170 -8.201 1.00 7.74 C ATOM 441 C ALA A 28 -2.570 -2.669 -8.191 1.00 9.17 C ATOM 442 O ALA A 28 -3.330 -3.472 -8.812 1.00 11.45 O ATOM 443 CB ALA A 28 -2.384 -0.483 -9.473 1.00 7.68 C ATOM 0 H ALA A 28 -1.530 0.055 -7.180 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.922 -1.050 -8.193 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.797 -1.005 -10.336 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.732 0.550 -9.473 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.295 -0.499 -9.526 1.00 7.68 H new ATOM 449 N LYS A 29 -1.501 -3.171 -7.506 1.00 8.96 N ATOM 450 CA LYS A 29 -1.181 -4.559 -7.271 1.00 7.90 C ATOM 451 C LYS A 29 -2.271 -5.026 -6.263 1.00 6.92 C ATOM 452 O LYS A 29 -2.706 -6.159 -6.377 1.00 6.87 O ATOM 453 CB LYS A 29 0.241 -4.721 -6.693 1.00 10.28 C ATOM 454 CG LYS A 29 1.357 -4.363 -7.697 1.00 14.94 C ATOM 455 CD LYS A 29 2.781 -4.973 -7.335 1.00 19.69 C ATOM 456 CE LYS A 29 2.985 -6.460 -7.626 1.00 22.63 C ATOM 457 NZ LYS A 29 3.696 -6.601 -8.896 1.00 24.98 N ATOM 0 H LYS A 29 -0.810 -2.550 -7.086 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.180 -5.151 -8.186 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.340 -4.089 -5.811 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.376 -5.751 -6.364 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.065 -4.713 -8.687 1.00 14.94 H new ATOM 0 HG3 LYS A 29 1.443 -3.278 -7.755 1.00 14.94 H new ATOM 0 HD2 LYS A 29 3.540 -4.412 -7.881 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.963 -4.806 -6.273 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.554 -6.927 -6.822 1.00 22.63 H new ATOM 0 HE3 LYS A 29 2.023 -6.970 -7.674 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 3.454 -7.515 -9.330 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 3.419 -5.829 -9.536 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 4.721 -6.559 -8.726 1.00 24.98 H new ATOM 471 N ILE A 30 -2.670 -4.347 -5.194 1.00 4.57 N ATOM 472 CA ILE A 30 -3.783 -4.569 -4.334 1.00 5.58 C ATOM 473 C ILE A 30 -5.123 -4.636 -5.068 1.00 7.26 C ATOM 474 O ILE A 30 -5.987 -5.510 -4.768 1.00 9.46 O ATOM 475 CB ILE A 30 -3.756 -3.598 -3.101 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.495 -3.635 -2.170 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.994 -3.946 -2.219 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.464 -2.503 -1.133 1.00 2.00 C ATOM 0 H ILE A 30 -2.141 -3.530 -4.889 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.677 -5.573 -3.924 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.748 -2.597 -3.533 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.465 -4.593 -1.651 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.597 -3.577 -2.786 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -5.015 -3.292 -1.347 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.906 -3.805 -2.800 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.928 -4.984 -1.893 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.564 -2.592 -0.524 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.463 -1.541 -1.645 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.343 -2.572 -0.493 1.00 2.00 H new ATOM 490 N GLN A 31 -5.360 -3.734 -6.038 1.00 7.06 N ATOM 491 CA GLN A 31 -6.591 -3.784 -6.864 1.00 8.67 C ATOM 492 C GLN A 31 -6.699 -5.111 -7.631 1.00 10.90 C ATOM 493 O GLN A 31 -7.746 -5.683 -7.773 1.00 9.63 O ATOM 494 CB GLN A 31 -6.689 -2.549 -7.837 1.00 9.12 C ATOM 495 CG GLN A 31 -7.994 -2.281 -8.637 1.00 10.76 C ATOM 496 CD GLN A 31 -7.787 -1.233 -9.794 1.00 13.78 C ATOM 497 OE1 GLN A 31 -6.714 -0.677 -9.963 1.00 14.48 O ATOM 498 NE2 GLN A 31 -8.857 -1.003 -10.536 1.00 14.76 N ATOM 0 H GLN A 31 -4.727 -2.969 -6.271 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.440 -3.728 -6.182 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.484 -1.656 -7.246 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.880 -2.645 -8.562 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.356 -3.218 -9.060 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.765 -1.919 -7.957 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -9.727 -1.500 -10.345 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -8.813 -0.328 -11.300 1.00 14.76 H new ATOM 507 N ASP A 32 -5.559 -5.640 -8.098 1.00 10.93 N ATOM 508 CA ASP A 32 -5.612 -6.946 -8.827 1.00 14.01 C ATOM 509 C ASP A 32 -6.150 -8.038 -7.927 1.00 14.04 C ATOM 510 O ASP A 32 -7.087 -8.782 -8.256 1.00 13.39 O ATOM 511 CB ASP A 32 -4.217 -7.235 -9.247 1.00 18.01 C ATOM 512 CG ASP A 32 -3.973 -8.361 -10.211 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.649 -8.655 -11.211 1.00 26.29 O ATOM 514 OD2 ASP A 32 -2.923 -8.980 -9.948 1.00 25.17 O ATOM 0 H ASP A 32 -4.632 -5.225 -8.001 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.279 -6.899 -9.688 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.810 -6.326 -9.690 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.636 -7.438 -8.347 1.00 18.01 H new ATOM 519 N LYS A 33 -5.649 -8.115 -6.675 1.00 14.22 N ATOM 520 CA LYS A 33 -6.083 -9.184 -5.842 1.00 14.00 C ATOM 521 C LYS A 33 -7.371 -8.935 -5.083 1.00 12.37 C ATOM 522 O LYS A 33 -8.174 -9.851 -4.905 1.00 12.17 O ATOM 523 CB LYS A 33 -4.946 -9.339 -4.747 1.00 18.62 C ATOM 524 CG LYS A 33 -3.628 -9.831 -5.417 1.00 24.00 C ATOM 525 CD LYS A 33 -2.658 -10.567 -4.380 1.00 27.61 C ATOM 526 CE LYS A 33 -1.292 -11.054 -4.913 1.00 27.64 C ATOM 527 NZ LYS A 33 -1.428 -12.052 -6.035 1.00 30.06 N ATOM 0 H LYS A 33 -4.977 -7.469 -6.261 1.00 14.22 H new ATOM 0 HA LYS A 33 -6.265 -10.048 -6.482 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.777 -8.385 -4.249 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -5.261 -10.047 -3.981 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -3.870 -10.513 -6.232 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -3.107 -8.981 -5.857 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.473 -9.886 -3.549 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -3.189 -11.428 -3.974 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.716 -10.197 -5.262 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.728 -11.506 -4.097 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -0.483 -12.346 -6.355 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -1.953 -12.884 -5.698 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -1.942 -11.616 -6.827 1.00 30.06 H new ATOM 541 N GLU A 34 -7.544 -7.756 -4.518 1.00 10.11 N ATOM 542 CA GLU A 34 -8.576 -7.498 -3.499 1.00 10.07 C ATOM 543 C GLU A 34 -9.689 -6.586 -4.057 1.00 9.32 C ATOM 544 O GLU A 34 -10.642 -6.279 -3.386 1.00 11.61 O ATOM 545 CB GLU A 34 -7.910 -6.870 -2.268 1.00 14.77 C ATOM 546 CG GLU A 34 -7.047 -7.876 -1.410 1.00 18.75 C ATOM 547 CD GLU A 34 -7.911 -8.884 -0.669 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.696 -8.450 0.188 1.00 25.19 O ATOM 549 OE2 GLU A 34 -7.716 -10.128 -0.869 1.00 21.95 O ATOM 0 H GLU A 34 -6.977 -6.939 -4.745 1.00 10.11 H new ATOM 0 HA GLU A 34 -9.047 -8.438 -3.213 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.271 -6.049 -2.594 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.683 -6.439 -1.632 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.353 -8.405 -2.063 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.447 -7.317 -0.692 1.00 18.75 H new ATOM 556 N GLY A 35 -9.519 -6.040 -5.284 1.00 7.22 N ATOM 557 CA GLY A 35 -10.613 -5.323 -5.985 1.00 6.29 C ATOM 558 C GLY A 35 -10.563 -3.858 -5.859 1.00 6.93 C ATOM 559 O GLY A 35 -11.124 -3.169 -6.698 1.00 7.41 O ATOM 0 H GLY A 35 -8.644 -6.081 -5.806 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.582 -5.585 -7.043 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.568 -5.676 -5.597 1.00 6.29 H new ATOM 563 N ILE A 36 -9.951 -3.281 -4.819 1.00 5.86 N ATOM 564 CA ILE A 36 -10.216 -1.852 -4.599 1.00 6.07 C ATOM 565 C ILE A 36 -9.608 -0.811 -5.547 1.00 6.36 C ATOM 566 O ILE A 36 -8.351 -0.860 -5.642 1.00 6.18 O ATOM 567 CB ILE A 36 -9.701 -1.443 -3.207 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.860 -2.540 -2.090 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.409 -0.098 -2.753 1.00 7.36 C ATOM 570 CD1 ILE A 36 -8.766 -3.534 -1.909 1.00 9.49 C ATOM 0 H ILE A 36 -9.317 -3.735 -4.162 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.294 -1.819 -4.760 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.626 -1.303 -3.319 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.002 -2.027 -1.139 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -10.778 -3.091 -2.295 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -10.044 0.191 -1.767 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -10.183 0.692 -3.469 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.487 -0.251 -2.710 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.027 -4.219 -1.103 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.629 -4.096 -2.833 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -7.841 -3.015 -1.659 1.00 9.49 H new ATOM 582 N PRO A 37 -10.310 0.169 -6.201 1.00 8.65 N ATOM 583 CA PRO A 37 -9.705 1.261 -6.936 1.00 9.18 C ATOM 584 C PRO A 37 -8.642 2.085 -6.133 1.00 9.85 C ATOM 585 O PRO A 37 -9.054 2.431 -5.003 1.00 8.51 O ATOM 586 CB PRO A 37 -10.822 2.128 -7.582 1.00 11.42 C ATOM 587 CG PRO A 37 -12.116 1.274 -7.414 1.00 9.27 C ATOM 588 CD PRO A 37 -11.754 0.300 -6.234 1.00 8.33 C ATOM 0 HA PRO A 37 -9.102 0.826 -7.733 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -10.915 3.093 -7.084 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -10.612 2.330 -8.632 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -12.979 1.894 -7.173 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.360 0.729 -8.326 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.125 0.692 -5.287 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.223 -0.672 -6.382 1.00 8.33 H new ATOM 596 N PRO A 38 -7.437 2.381 -6.523 1.00 8.71 N ATOM 597 CA PRO A 38 -6.379 3.101 -5.717 1.00 9.08 C ATOM 598 C PRO A 38 -6.807 4.347 -4.951 1.00 9.28 C ATOM 599 O PRO A 38 -6.320 4.567 -3.879 1.00 6.50 O ATOM 600 CB PRO A 38 -5.281 3.388 -6.703 1.00 10.31 C ATOM 601 CG PRO A 38 -5.336 2.244 -7.725 1.00 10.81 C ATOM 602 CD PRO A 38 -6.847 1.888 -7.821 1.00 12.00 C ATOM 0 HA PRO A 38 -6.077 2.459 -4.889 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -5.431 4.353 -7.187 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -4.310 3.426 -6.209 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -4.938 2.554 -8.691 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -4.746 1.388 -7.397 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -7.315 2.372 -8.678 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -6.995 0.815 -7.941 1.00 12.00 H new ATOM 610 N ASP A 39 -7.818 5.161 -5.360 1.00 11.20 N ATOM 611 CA ASP A 39 -8.194 6.410 -4.654 1.00 14.96 C ATOM 612 C ASP A 39 -9.391 6.106 -3.772 1.00 13.99 C ATOM 613 O ASP A 39 -10.022 7.011 -3.259 1.00 13.75 O ATOM 614 CB ASP A 39 -8.488 7.646 -5.628 1.00 24.16 C ATOM 615 CG ASP A 39 -7.193 8.211 -6.196 1.00 31.06 C ATOM 616 OD1 ASP A 39 -6.255 8.378 -5.398 1.00 34.22 O ATOM 617 OD2 ASP A 39 -7.049 8.565 -7.416 1.00 35.55 O ATOM 0 H ASP A 39 -8.389 4.969 -6.183 1.00 11.20 H new ATOM 0 HA ASP A 39 -7.341 6.731 -4.057 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -9.138 7.326 -6.443 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -9.021 8.425 -5.083 1.00 24.16 H new ATOM 622 N GLN A 40 -9.747 4.791 -3.582 1.00 11.60 N ATOM 623 CA GLN A 40 -10.573 4.352 -2.430 1.00 10.76 C ATOM 624 C GLN A 40 -9.701 3.612 -1.426 1.00 8.01 C ATOM 625 O GLN A 40 -10.140 3.160 -0.416 1.00 8.96 O ATOM 626 CB GLN A 40 -11.659 3.292 -2.843 1.00 11.14 C ATOM 627 CG GLN A 40 -12.642 3.901 -3.847 1.00 14.85 C ATOM 628 CD GLN A 40 -13.725 2.859 -4.213 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.820 1.784 -3.645 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.633 3.221 -5.209 1.00 18.16 N ATOM 0 H GLN A 40 -9.473 4.035 -4.210 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.033 5.257 -2.033 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.176 2.418 -3.281 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -12.197 2.949 -1.959 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.108 4.790 -3.421 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.111 4.218 -4.744 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.544 4.123 -5.677 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.386 2.584 -5.469 1.00 18.16 H new ATOM 639 N GLN A 41 -8.383 3.550 -1.651 1.00 6.52 N ATOM 640 CA GLN A 41 -7.464 2.917 -0.762 1.00 3.87 C ATOM 641 C GLN A 41 -6.529 3.792 0.039 1.00 4.79 C ATOM 642 O GLN A 41 -6.017 4.814 -0.397 1.00 6.34 O ATOM 643 CB GLN A 41 -6.430 2.005 -1.493 1.00 4.20 C ATOM 644 CG GLN A 41 -7.059 0.876 -2.291 1.00 3.20 C ATOM 645 CD GLN A 41 -5.951 0.104 -2.980 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.880 -0.112 -2.384 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.105 -0.403 -4.225 1.00 7.13 N ATOM 0 H GLN A 41 -7.940 3.952 -2.477 1.00 6.52 H new ATOM 0 HA GLN A 41 -8.191 2.417 -0.122 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.829 2.619 -2.163 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.750 1.580 -0.755 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.628 0.218 -1.634 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.758 1.275 -3.026 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -6.972 -0.242 -4.738 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.354 -0.946 -4.651 1.00 7.13 H new ATOM 656 N ARG A 42 -6.268 3.519 1.333 1.00 5.73 N ATOM 657 CA ARG A 42 -5.192 4.100 2.097 1.00 6.97 C ATOM 658 C ARG A 42 -4.215 3.072 2.611 1.00 7.15 C ATOM 659 O ARG A 42 -4.619 2.062 3.179 1.00 7.33 O ATOM 660 CB ARG A 42 -5.598 4.970 3.289 1.00 13.23 C ATOM 661 CG ARG A 42 -6.199 6.280 2.827 1.00 21.27 C ATOM 662 CD ARG A 42 -6.916 7.099 3.893 1.00 26.14 C ATOM 663 NE ARG A 42 -7.214 8.443 3.280 1.00 32.26 N ATOM 664 CZ ARG A 42 -8.160 9.255 3.776 1.00 34.32 C ATOM 665 NH1 ARG A 42 -9.067 8.899 4.709 1.00 35.30 N ATOM 666 NH2 ARG A 42 -8.251 10.471 3.261 1.00 36.39 N ATOM 0 H ARG A 42 -6.831 2.864 1.876 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.733 4.751 1.353 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.318 4.433 3.906 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -4.727 5.166 3.914 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -5.404 6.892 2.401 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -6.904 6.070 2.023 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -7.835 6.605 4.207 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.293 7.208 4.781 1.00 26.14 H new ATOM 0 HE ARG A 42 -6.681 8.744 2.464 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -9.064 7.952 5.088 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -9.756 9.577 5.035 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -7.616 10.758 2.516 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -8.956 11.121 3.609 1.00 36.39 H new ATOM 680 N LEU A 43 -2.926 3.293 2.434 1.00 4.65 N ATOM 681 CA LEU A 43 -1.832 2.454 2.972 1.00 3.51 C ATOM 682 C LEU A 43 -1.058 3.191 4.054 1.00 5.56 C ATOM 683 O LEU A 43 -0.770 4.414 3.954 1.00 4.19 O ATOM 684 CB LEU A 43 -0.880 2.025 1.801 1.00 3.74 C ATOM 685 CG LEU A 43 -1.604 1.271 0.667 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.652 0.898 -0.478 1.00 9.55 C ATOM 687 CD2 LEU A 43 -2.400 0.092 1.199 1.00 6.41 C ATOM 0 H LEU A 43 -2.582 4.087 1.894 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.263 1.563 3.428 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.401 2.913 1.389 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.088 1.392 2.200 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.332 1.954 0.230 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -1.206 0.369 -1.254 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.215 1.804 -0.898 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.142 0.256 -0.097 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.896 -0.415 0.372 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -1.728 -0.604 1.700 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -3.148 0.448 1.907 1.00 6.41 H new ATOM 699 N ILE A 44 -0.925 2.530 5.274 1.00 4.58 N ATOM 700 CA ILE A 44 -0.095 3.004 6.403 1.00 5.55 C ATOM 701 C ILE A 44 1.044 2.044 6.751 1.00 5.46 C ATOM 702 O ILE A 44 0.920 0.850 6.772 1.00 6.04 O ATOM 703 CB ILE A 44 -0.979 3.284 7.647 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.351 3.941 7.114 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.270 4.268 8.555 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.157 4.662 8.160 1.00 13.90 C ATOM 0 H ILE A 44 -1.404 1.652 5.474 1.00 4.58 H new ATOM 0 HA ILE A 44 0.373 3.934 6.081 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.174 2.368 8.204 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.114 4.641 6.313 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -2.968 3.155 6.679 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -0.889 4.467 9.430 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.684 3.847 8.873 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.094 5.199 8.016 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -4.061 5.069 7.706 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -3.431 3.965 8.952 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.564 5.474 8.580 1.00 13.90 H new ATOM 718 N PHE A 45 2.245 2.660 7.053 1.00 6.75 N ATOM 719 CA PHE A 45 3.433 1.909 7.483 1.00 4.70 C ATOM 720 C PHE A 45 4.272 2.904 8.378 1.00 6.34 C ATOM 721 O PHE A 45 4.482 4.048 7.933 1.00 5.45 O ATOM 722 CB PHE A 45 4.196 1.423 6.239 1.00 5.51 C ATOM 723 CG PHE A 45 5.579 0.846 6.581 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.723 -0.273 7.417 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.726 1.545 6.195 1.00 5.87 C ATOM 726 CE1 PHE A 45 6.959 -0.602 7.944 1.00 6.68 C ATOM 727 CE2 PHE A 45 7.987 1.080 6.613 1.00 6.64 C ATOM 728 CZ PHE A 45 8.115 0.071 7.541 1.00 6.84 C ATOM 0 H PHE A 45 2.389 3.668 6.999 1.00 6.75 H new ATOM 0 HA PHE A 45 3.196 1.016 8.062 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.605 0.662 5.729 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.315 2.253 5.543 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.862 -0.882 7.650 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.646 2.431 5.583 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.031 -1.391 8.678 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.877 1.526 6.195 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.081 -0.193 7.946 1.00 6.84 H new ATOM 738 N ALA A 46 4.814 2.463 9.567 1.00 6.53 N ATOM 739 CA ALA A 46 5.645 3.253 10.525 1.00 7.15 C ATOM 740 C ALA A 46 4.895 4.532 10.908 1.00 9.00 C ATOM 741 O ALA A 46 5.464 5.607 10.994 1.00 11.15 O ATOM 742 CB ALA A 46 7.052 3.491 9.938 1.00 8.99 C ATOM 0 H ALA A 46 4.672 1.505 9.888 1.00 6.53 H new ATOM 0 HA ALA A 46 5.806 2.700 11.451 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.648 4.068 10.645 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.536 2.532 9.753 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.967 4.042 9.001 1.00 8.99 H new ATOM 748 N GLY A 47 3.568 4.318 11.056 1.00 9.35 N ATOM 749 CA GLY A 47 2.523 5.413 11.350 1.00 11.68 C ATOM 750 C GLY A 47 2.231 6.367 10.193 1.00 11.14 C ATOM 751 O GLY A 47 1.166 6.954 10.101 1.00 13.93 O ATOM 0 H GLY A 47 3.156 3.388 10.981 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.591 4.932 11.646 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.865 5.998 12.204 1.00 11.68 H new ATOM 755 N LYS A 48 3.172 6.440 9.242 1.00 10.47 N ATOM 756 CA LYS A 48 3.188 7.340 8.079 1.00 8.82 C ATOM 757 C LYS A 48 2.132 6.848 7.057 1.00 7.68 C ATOM 758 O LYS A 48 2.199 5.722 6.648 1.00 6.47 O ATOM 759 CB LYS A 48 4.514 7.370 7.251 1.00 9.74 C ATOM 760 CG LYS A 48 5.742 7.655 8.043 1.00 14.14 C ATOM 761 CD LYS A 48 6.999 8.008 7.117 1.00 16.32 C ATOM 762 CE LYS A 48 8.192 8.517 7.957 1.00 20.04 C ATOM 763 NZ LYS A 48 9.213 9.069 7.073 1.00 23.92 N ATOM 0 H LYS A 48 3.993 5.835 9.265 1.00 10.47 H new ATOM 0 HA LYS A 48 3.019 8.327 8.511 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.636 6.408 6.753 1.00 9.74 H new ATOM 0 HB3 LYS A 48 4.420 8.124 6.470 1.00 9.74 H new ATOM 0 HG2 LYS A 48 5.549 8.487 8.721 1.00 14.14 H new ATOM 0 HG3 LYS A 48 5.981 6.789 8.661 1.00 14.14 H new ATOM 0 HD2 LYS A 48 7.299 7.123 6.555 1.00 16.32 H new ATOM 0 HD3 LYS A 48 6.715 8.767 6.389 1.00 16.32 H new ATOM 0 HE2 LYS A 48 7.856 9.278 8.661 1.00 20.04 H new ATOM 0 HE3 LYS A 48 8.610 7.701 8.546 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 10.015 9.411 7.640 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 9.542 8.331 6.418 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 8.811 9.859 6.530 1.00 23.92 H new ATOM 777 N GLN A 49 1.151 7.704 6.741 1.00 8.89 N ATOM 778 CA GLN A 49 0.150 7.391 5.717 1.00 7.18 C ATOM 779 C GLN A 49 0.752 7.722 4.371 1.00 8.23 C ATOM 780 O GLN A 49 1.367 8.735 4.141 1.00 9.70 O ATOM 781 CB GLN A 49 -1.117 8.167 5.962 1.00 11.67 C ATOM 782 CG GLN A 49 -2.302 7.719 5.050 1.00 15.82 C ATOM 783 CD GLN A 49 -3.479 8.601 5.391 1.00 20.21 C ATOM 784 OE1 GLN A 49 -3.884 9.540 4.685 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.153 8.378 6.563 1.00 20.67 N ATOM 0 H GLN A 49 1.031 8.617 7.180 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.117 6.335 5.750 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.408 8.053 7.006 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -0.923 9.227 5.799 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.038 7.819 3.997 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.544 6.670 5.220 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.864 7.620 7.181 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -4.944 8.970 6.817 1.00 20.67 H new ATOM 794 N LEU A 50 0.877 6.693 3.445 1.00 6.51 N ATOM 795 CA LEU A 50 1.680 6.875 2.270 1.00 7.41 C ATOM 796 C LEU A 50 0.923 7.544 1.164 1.00 8.27 C ATOM 797 O LEU A 50 -0.291 7.455 1.091 1.00 8.34 O ATOM 798 CB LEU A 50 2.330 5.492 1.856 1.00 7.13 C ATOM 799 CG LEU A 50 2.930 4.520 2.952 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.253 3.109 2.474 1.00 8.14 C ATOM 801 CD2 LEU A 50 4.127 5.075 3.619 1.00 9.11 C ATOM 0 H LEU A 50 0.431 5.780 3.527 1.00 6.51 H new ATOM 0 HA LEU A 50 2.494 7.564 2.495 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.571 4.931 1.311 1.00 7.13 H new ATOM 0 HB3 LEU A 50 3.131 5.713 1.150 1.00 7.13 H new ATOM 0 HG LEU A 50 2.107 4.438 3.662 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.658 2.528 3.303 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.344 2.632 2.106 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.988 3.156 1.671 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.493 4.364 4.360 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.904 5.259 2.877 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.867 6.012 4.112 1.00 9.11 H new ATOM 813 N GLU A 51 1.602 8.263 0.292 1.00 9.43 N ATOM 814 CA GLU A 51 1.022 9.124 -0.686 1.00 11.90 C ATOM 815 C GLU A 51 1.372 8.661 -2.157 1.00 11.49 C ATOM 816 O GLU A 51 2.493 8.277 -2.426 1.00 9.88 O ATOM 817 CB GLU A 51 1.513 10.533 -0.504 1.00 16.56 C ATOM 818 CG GLU A 51 0.970 11.613 -1.501 1.00 26.06 C ATOM 819 CD GLU A 51 1.638 12.942 -1.296 1.00 29.86 C ATOM 820 OE1 GLU A 51 1.517 13.551 -0.192 1.00 32.13 O ATOM 821 OE2 GLU A 51 2.347 13.331 -2.253 1.00 33.44 O ATOM 0 H GLU A 51 2.621 8.253 0.255 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.058 9.078 -0.546 1.00 11.90 H new ATOM 0 HB2 GLU A 51 1.262 10.850 0.508 1.00 16.56 H new ATOM 0 HB3 GLU A 51 2.601 10.524 -0.575 1.00 16.56 H new ATOM 0 HG2 GLU A 51 1.133 11.278 -2.525 1.00 26.06 H new ATOM 0 HG3 GLU A 51 -0.106 11.722 -1.369 1.00 26.06 H new ATOM 828 N ASP A 52 0.327 8.717 -2.987 1.00 12.71 N ATOM 829 CA ASP A 52 0.275 8.047 -4.242 1.00 16.56 C ATOM 830 C ASP A 52 1.557 8.080 -5.202 1.00 15.83 C ATOM 831 O ASP A 52 2.037 6.973 -5.427 1.00 17.21 O ATOM 832 CB ASP A 52 -0.873 8.684 -5.022 1.00 21.05 C ATOM 833 CG ASP A 52 -2.162 8.568 -4.303 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.593 7.408 -4.076 1.00 25.82 O ATOM 835 OD2 ASP A 52 -2.814 9.557 -3.868 1.00 28.37 O ATOM 0 H ASP A 52 -0.517 9.250 -2.778 1.00 12.71 H new ATOM 0 HA ASP A 52 0.176 6.994 -3.977 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.651 9.736 -5.200 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -0.958 8.206 -5.998 1.00 21.05 H new ATOM 840 N GLY A 53 2.029 9.259 -5.588 1.00 15.00 N ATOM 841 CA GLY A 53 3.179 9.457 -6.513 1.00 11.77 C ATOM 842 C GLY A 53 4.531 9.483 -5.778 1.00 11.10 C ATOM 843 O GLY A 53 5.576 9.862 -6.338 1.00 11.25 O ATOM 0 H GLY A 53 1.624 10.138 -5.267 1.00 15.00 H new ATOM 0 HA2 GLY A 53 3.187 8.657 -7.253 1.00 11.77 H new ATOM 0 HA3 GLY A 53 3.047 10.393 -7.056 1.00 11.77 H new ATOM 847 N ARG A 54 4.581 9.163 -4.503 1.00 8.53 N ATOM 848 CA ARG A 54 5.867 9.082 -3.820 1.00 9.05 C ATOM 849 C ARG A 54 6.334 7.692 -3.866 1.00 8.96 C ATOM 850 O ARG A 54 5.541 6.729 -4.018 1.00 11.60 O ATOM 851 CB ARG A 54 5.639 9.490 -2.398 1.00 7.97 C ATOM 852 CG ARG A 54 5.033 10.921 -2.244 1.00 9.62 C ATOM 853 CD ARG A 54 5.866 12.012 -2.961 1.00 12.20 C ATOM 854 NE ARG A 54 5.110 13.291 -2.708 1.00 18.23 N ATOM 855 CZ ARG A 54 5.630 14.388 -2.179 1.00 22.08 C ATOM 856 NH1 ARG A 54 6.934 14.523 -2.051 1.00 25.50 N ATOM 857 NH2 ARG A 54 4.912 15.388 -1.777 1.00 23.38 N ATOM 0 H ARG A 54 3.768 8.957 -3.923 1.00 8.53 H new ATOM 0 HA ARG A 54 6.611 9.726 -4.288 1.00 9.05 H new ATOM 0 HB2 ARG A 54 4.971 8.770 -1.925 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.586 9.447 -1.861 1.00 7.97 H new ATOM 0 HG2 ARG A 54 4.019 10.925 -2.644 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.959 11.166 -1.184 1.00 9.62 H new ATOM 0 HD2 ARG A 54 6.879 12.064 -2.562 1.00 12.20 H new ATOM 0 HD3 ARG A 54 5.954 11.807 -4.028 1.00 12.20 H new ATOM 0 HE ARG A 54 4.123 13.313 -2.964 1.00 18.23 H new ATOM 0 HH11 ARG A 54 7.557 13.777 -2.361 1.00 25.50 H new ATOM 0 HH12 ARG A 54 7.321 15.373 -1.642 1.00 25.50 H new ATOM 0 HH21 ARG A 54 3.896 15.353 -1.861 1.00 23.38 H new ATOM 0 HH22 ARG A 54 5.362 16.211 -1.376 1.00 23.38 H new ATOM 871 N THR A 55 7.596 7.433 -3.728 1.00 9.05 N ATOM 872 CA THR A 55 8.176 6.066 -3.886 1.00 9.03 C ATOM 873 C THR A 55 8.473 5.469 -2.502 1.00 8.15 C ATOM 874 O THR A 55 8.640 6.153 -1.458 1.00 5.91 O ATOM 875 CB THR A 55 9.359 5.977 -4.783 1.00 11.15 C ATOM 876 OG1 THR A 55 10.556 6.572 -4.310 1.00 11.95 O ATOM 877 CG2 THR A 55 9.044 6.721 -6.122 1.00 11.71 C ATOM 0 H THR A 55 8.289 8.146 -3.500 1.00 9.05 H new ATOM 0 HA THR A 55 7.416 5.475 -4.397 1.00 9.03 H new ATOM 0 HB THR A 55 9.530 4.904 -4.873 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.452 7.546 -4.291 1.00 11.95 H new ATOM 0 HG21 THR A 55 9.908 6.659 -6.784 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.184 6.256 -6.603 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.821 7.767 -5.913 1.00 11.71 H new ATOM 885 N LEU A 56 8.570 4.181 -2.486 1.00 6.91 N ATOM 886 CA LEU A 56 8.941 3.403 -1.371 1.00 8.29 C ATOM 887 C LEU A 56 10.283 3.833 -0.771 1.00 8.05 C ATOM 888 O LEU A 56 10.369 4.033 0.410 1.00 10.17 O ATOM 889 CB LEU A 56 8.943 1.831 -1.635 1.00 6.60 C ATOM 890 CG LEU A 56 7.591 1.132 -1.796 1.00 7.73 C ATOM 891 CD1 LEU A 56 6.766 1.549 -2.987 1.00 9.85 C ATOM 892 CD2 LEU A 56 7.837 -0.378 -1.913 1.00 8.64 C ATOM 0 H LEU A 56 8.377 3.615 -3.312 1.00 6.91 H new ATOM 0 HA LEU A 56 8.152 3.600 -0.645 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.526 1.644 -2.537 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.471 1.354 -0.809 1.00 6.60 H new ATOM 0 HG LEU A 56 7.017 1.422 -0.916 1.00 7.73 H new ATOM 0 HD11 LEU A 56 5.832 0.988 -2.997 1.00 9.85 H new ATOM 0 HD12 LEU A 56 6.548 2.615 -2.923 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.321 1.346 -3.903 1.00 9.85 H new ATOM 0 HD21 LEU A 56 6.884 -0.894 -2.029 1.00 8.64 H new ATOM 0 HD22 LEU A 56 8.466 -0.578 -2.781 1.00 8.64 H new ATOM 0 HD23 LEU A 56 8.337 -0.736 -1.013 1.00 8.64 H new ATOM 904 N SER A 57 11.289 4.118 -1.575 1.00 8.92 N ATOM 905 CA SER A 57 12.565 4.682 -1.078 1.00 9.00 C ATOM 906 C SER A 57 12.532 6.088 -0.492 1.00 9.44 C ATOM 907 O SER A 57 13.334 6.277 0.367 1.00 10.91 O ATOM 908 CB SER A 57 13.726 4.510 -2.049 1.00 10.32 C ATOM 909 OG SER A 57 13.716 5.396 -3.175 1.00 13.59 O ATOM 0 H SER A 57 11.263 3.973 -2.584 1.00 8.92 H new ATOM 0 HA SER A 57 12.744 4.048 -0.209 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.659 4.652 -1.504 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.724 3.483 -2.415 1.00 10.32 H new ATOM 0 HG SER A 57 14.496 5.215 -3.740 1.00 13.59 H new ATOM 915 N ASP A 58 11.623 7.012 -0.845 1.00 9.11 N ATOM 916 CA ASP A 58 11.289 8.359 -0.209 1.00 7.91 C ATOM 917 C ASP A 58 10.726 8.198 1.183 1.00 9.12 C ATOM 918 O ASP A 58 10.801 9.140 1.971 1.00 8.61 O ATOM 919 CB ASP A 58 10.209 9.002 -1.084 1.00 8.41 C ATOM 920 CG ASP A 58 10.654 9.220 -2.503 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.830 9.645 -2.689 1.00 10.05 O ATOM 922 OD2 ASP A 58 9.848 8.989 -3.443 1.00 11.70 O ATOM 0 H ASP A 58 11.030 6.848 -1.658 1.00 9.11 H new ATOM 0 HA ASP A 58 12.196 8.960 -0.139 1.00 7.91 H new ATOM 0 HB2 ASP A 58 9.322 8.368 -1.081 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.919 9.959 -0.649 1.00 8.41 H new ATOM 927 N TYR A 59 10.127 7.079 1.478 1.00 7.97 N ATOM 928 CA TYR A 59 9.481 6.695 2.722 1.00 8.45 C ATOM 929 C TYR A 59 10.374 5.741 3.526 1.00 10.98 C ATOM 930 O TYR A 59 10.025 5.420 4.626 1.00 12.95 O ATOM 931 CB TYR A 59 8.057 6.066 2.463 1.00 7.94 C ATOM 932 CG TYR A 59 6.994 7.074 2.283 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.630 7.922 3.330 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.171 7.050 1.171 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.541 8.770 3.325 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.068 7.900 1.066 1.00 6.52 C ATOM 937 CZ TYR A 59 4.819 8.741 2.175 1.00 6.76 C ATOM 938 OH TYR A 59 3.691 9.650 2.106 1.00 7.63 O ATOM 0 H TYR A 59 10.068 6.330 0.788 1.00 7.97 H new ATOM 0 HA TYR A 59 9.333 7.598 3.314 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.103 5.435 1.575 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.796 5.419 3.301 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.250 7.914 4.214 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.386 6.360 0.368 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.285 9.402 4.163 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.440 7.914 0.187 1.00 6.52 H new ATOM 0 HH TYR A 59 3.731 10.158 1.269 1.00 7.63 H new ATOM 948 N ASN A 60 11.642 5.430 2.965 1.00 12.38 N ATOM 949 CA ASN A 60 12.574 4.523 3.648 1.00 13.94 C ATOM 950 C ASN A 60 12.035 3.127 4.037 1.00 14.16 C ATOM 951 O ASN A 60 12.125 2.601 5.112 1.00 14.26 O ATOM 952 CB ASN A 60 13.427 5.252 4.778 1.00 19.23 C ATOM 953 CG ASN A 60 13.943 6.579 4.262 1.00 22.65 C ATOM 954 OD1 ASN A 60 13.658 7.652 4.816 1.00 25.45 O ATOM 955 ND2 ASN A 60 14.659 6.523 3.142 1.00 24.09 N ATOM 0 H ASN A 60 11.983 5.802 2.079 1.00 12.38 H new ATOM 0 HA ASN A 60 13.281 4.251 2.864 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.812 5.411 5.664 1.00 19.23 H new ATOM 0 HB3 ASN A 60 14.262 4.620 5.079 1.00 19.23 H new ATOM 0 HD21 ASN A 60 14.995 7.383 2.708 1.00 24.09 H new ATOM 0 HD22 ASN A 60 14.872 5.620 2.718 1.00 24.09 H new ATOM 962 N ILE A 61 11.387 2.432 3.063 1.00 11.08 N ATOM 963 CA ILE A 61 10.707 1.118 3.266 1.00 11.78 C ATOM 964 C ILE A 61 11.760 0.027 3.111 1.00 13.74 C ATOM 965 O ILE A 61 12.799 0.196 2.460 1.00 14.60 O ATOM 966 CB ILE A 61 9.451 0.921 2.477 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.585 2.197 2.751 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.745 -0.448 2.672 1.00 13.29 C ATOM 969 CD1 ILE A 61 7.155 2.175 2.091 1.00 11.42 C ATOM 0 H ILE A 61 11.320 2.770 2.103 1.00 11.08 H new ATOM 0 HA ILE A 61 10.302 1.075 4.277 1.00 11.78 H new ATOM 0 HB ILE A 61 9.667 0.838 1.412 1.00 11.80 H new ATOM 0 HG12 ILE A 61 8.471 2.318 3.828 1.00 11.56 H new ATOM 0 HG13 ILE A 61 9.125 3.071 2.387 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.847 -0.485 2.055 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.421 -1.251 2.378 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.471 -0.570 3.720 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.628 3.098 2.334 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.255 2.088 1.009 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.591 1.324 2.473 1.00 11.42 H new ATOM 981 N GLN A 62 11.534 -1.183 3.654 1.00 13.97 N ATOM 982 CA GLN A 62 12.333 -2.374 3.646 1.00 15.52 C ATOM 983 C GLN A 62 11.565 -3.644 3.392 1.00 13.94 C ATOM 984 O GLN A 62 10.358 -3.714 3.562 1.00 12.15 O ATOM 985 CB GLN A 62 12.936 -2.653 5.079 1.00 19.53 C ATOM 986 CG GLN A 62 13.744 -1.461 5.608 1.00 26.38 C ATOM 987 CD GLN A 62 14.547 -1.768 6.841 1.00 30.61 C ATOM 988 OE1 GLN A 62 14.350 -2.713 7.653 1.00 33.23 O ATOM 989 NE2 GLN A 62 15.523 -0.863 7.039 1.00 32.71 N ATOM 0 H GLN A 62 10.669 -1.345 4.170 1.00 13.97 H new ATOM 0 HA GLN A 62 13.059 -2.173 2.858 1.00 15.52 H new ATOM 0 HB2 GLN A 62 12.127 -2.879 5.774 1.00 19.53 H new ATOM 0 HB3 GLN A 62 13.576 -3.534 5.037 1.00 19.53 H new ATOM 0 HG2 GLN A 62 14.418 -1.115 4.824 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.061 -0.640 5.826 1.00 26.38 H new ATOM 0 HE21 GLN A 62 15.662 -0.108 6.368 1.00 32.71 H new ATOM 0 HE22 GLN A 62 16.124 -0.932 7.861 1.00 32.71 H new ATOM 998 N LYS A 63 12.271 -4.737 3.165 1.00 11.73 N ATOM 999 CA LYS A 63 11.771 -6.005 2.896 1.00 11.97 C ATOM 1000 C LYS A 63 11.053 -6.531 4.077 1.00 10.41 C ATOM 1001 O LYS A 63 11.398 -6.306 5.223 1.00 9.59 O ATOM 1002 CB LYS A 63 12.889 -6.984 2.446 1.00 13.73 C ATOM 1003 CG LYS A 63 14.131 -7.072 3.453 1.00 16.98 C ATOM 1004 CD LYS A 63 15.251 -8.052 2.993 1.00 20.19 C ATOM 1005 CE LYS A 63 14.731 -9.485 2.711 1.00 23.42 C ATOM 1006 NZ LYS A 63 15.809 -10.457 2.411 1.00 25.97 N ATOM 0 H LYS A 63 13.291 -4.722 3.173 1.00 11.73 H new ATOM 0 HA LYS A 63 11.069 -5.918 2.067 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.459 -7.979 2.329 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.252 -6.677 1.465 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.560 -6.077 3.573 1.00 16.98 H new ATOM 0 HG3 LYS A 63 13.770 -7.384 4.433 1.00 16.98 H new ATOM 0 HD2 LYS A 63 15.721 -7.659 2.091 1.00 20.19 H new ATOM 0 HD3 LYS A 63 16.023 -8.097 3.761 1.00 20.19 H new ATOM 0 HE2 LYS A 63 14.167 -9.835 3.576 1.00 23.42 H new ATOM 0 HE3 LYS A 63 14.038 -9.453 1.871 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 15.393 -11.393 2.233 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 16.333 -10.145 1.569 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 16.459 -10.516 3.221 1.00 25.97 H new ATOM 1020 N GLU A 64 9.919 -7.211 3.852 1.00 10.04 N ATOM 1021 CA GLU A 64 9.108 -7.951 4.850 1.00 10.94 C ATOM 1022 C GLU A 64 8.619 -6.905 5.859 1.00 9.74 C ATOM 1023 O GLU A 64 8.434 -7.125 7.071 1.00 9.42 O ATOM 1024 CB GLU A 64 9.948 -9.039 5.471 1.00 18.31 C ATOM 1025 CG GLU A 64 10.034 -10.254 4.569 1.00 24.16 C ATOM 1026 CD GLU A 64 10.705 -11.398 5.251 1.00 29.00 C ATOM 1027 OE1 GLU A 64 11.771 -11.266 5.842 1.00 31.72 O ATOM 1028 OE2 GLU A 64 10.013 -12.468 5.254 1.00 32.61 O ATOM 0 H GLU A 64 9.514 -7.267 2.918 1.00 10.04 H new ATOM 0 HA GLU A 64 8.246 -8.456 4.414 1.00 10.94 H new ATOM 0 HB2 GLU A 64 10.950 -8.659 5.668 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.521 -9.327 6.432 1.00 18.31 H new ATOM 0 HG2 GLU A 64 9.031 -10.551 4.261 1.00 24.16 H new ATOM 0 HG3 GLU A 64 10.583 -9.997 3.663 1.00 24.16 H new ATOM 1035 N SER A 65 8.346 -5.726 5.352 1.00 6.85 N ATOM 1036 CA SER A 65 7.569 -4.708 5.987 1.00 6.90 C ATOM 1037 C SER A 65 6.159 -4.990 5.728 1.00 4.72 C ATOM 1038 O SER A 65 5.723 -5.337 4.652 1.00 3.91 O ATOM 1039 CB SER A 65 7.872 -3.263 5.564 1.00 7.28 C ATOM 1040 OG SER A 65 9.236 -3.092 5.841 1.00 10.56 O ATOM 0 H SER A 65 8.683 -5.443 4.432 1.00 6.85 H new ATOM 0 HA SER A 65 7.833 -4.750 7.044 1.00 6.90 H new ATOM 0 HB2 SER A 65 7.660 -3.107 4.506 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.262 -2.551 6.120 1.00 7.28 H new ATOM 0 HG SER A 65 9.743 -3.099 5.003 1.00 10.56 H new ATOM 1046 N THR A 66 5.367 -4.704 6.774 1.00 4.48 N ATOM 1047 CA THR A 66 3.921 -4.805 6.638 1.00 3.80 C ATOM 1048 C THR A 66 3.283 -3.456 6.575 1.00 4.60 C ATOM 1049 O THR A 66 3.403 -2.711 7.511 1.00 5.33 O ATOM 1050 CB THR A 66 3.285 -5.555 7.848 1.00 2.85 C ATOM 1051 OG1 THR A 66 3.816 -6.886 7.904 1.00 2.15 O ATOM 1052 CG2 THR A 66 1.652 -5.749 7.788 1.00 3.40 C ATOM 0 H THR A 66 5.698 -4.410 7.693 1.00 4.48 H new ATOM 0 HA THR A 66 3.744 -5.354 5.713 1.00 3.80 H new ATOM 0 HB THR A 66 3.523 -4.928 8.707 1.00 2.85 H new ATOM 0 HG1 THR A 66 3.422 -7.364 8.664 1.00 2.15 H new ATOM 0 HG21 THR A 66 1.316 -6.282 8.677 1.00 3.40 H new ATOM 0 HG22 THR A 66 1.171 -4.772 7.747 1.00 3.40 H new ATOM 0 HG23 THR A 66 1.386 -6.322 6.900 1.00 3.40 H new ATOM 1060 N LEU A 67 2.741 -3.113 5.348 1.00 4.17 N ATOM 1061 CA LEU A 67 1.752 -2.028 5.159 1.00 3.85 C ATOM 1062 C LEU A 67 0.388 -2.430 5.744 1.00 3.80 C ATOM 1063 O LEU A 67 -0.140 -3.538 5.599 1.00 5.54 O ATOM 1064 CB LEU A 67 1.542 -1.611 3.681 1.00 7.18 C ATOM 1065 CG LEU A 67 2.792 -1.585 2.715 1.00 9.67 C ATOM 1066 CD1 LEU A 67 2.283 -1.119 1.312 1.00 8.12 C ATOM 1067 CD2 LEU A 67 3.930 -0.624 3.242 1.00 11.66 C ATOM 0 H LEU A 67 2.989 -3.590 4.481 1.00 4.17 H new ATOM 0 HA LEU A 67 2.171 -1.170 5.686 1.00 3.85 H new ATOM 0 HB2 LEU A 67 0.804 -2.287 3.249 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.101 -0.614 3.678 1.00 7.18 H new ATOM 0 HG LEU A 67 3.235 -2.579 2.662 1.00 9.67 H new ATOM 0 HD11 LEU A 67 3.119 -1.088 0.614 1.00 8.12 H new ATOM 0 HD12 LEU A 67 1.531 -1.819 0.947 1.00 8.12 H new ATOM 0 HD13 LEU A 67 1.843 -0.125 1.396 1.00 8.12 H new ATOM 0 HD21 LEU A 67 4.769 -0.638 2.546 1.00 11.66 H new ATOM 0 HD22 LEU A 67 3.541 0.391 3.321 1.00 11.66 H new ATOM 0 HD23 LEU A 67 4.266 -0.961 4.223 1.00 11.66 H new ATOM 1079 N HIS A 68 -0.379 -1.469 6.367 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.742 -1.680 6.838 1.00 4.17 C ATOM 1081 C HIS A 68 -2.791 -1.034 5.863 1.00 5.32 C ATOM 1082 O HIS A 68 -2.718 0.106 5.527 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.894 -1.027 8.285 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.743 -1.459 9.162 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.452 -0.817 9.231 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.554 -2.581 9.898 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.339 -1.521 10.022 1.00 14.75 C ATOM 1088 NE2 HIS A 68 0.739 -2.593 10.484 1.00 16.30 N ATOM 0 H HIS A 68 -0.037 -0.525 6.544 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.933 -2.752 6.878 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.914 0.060 8.204 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.840 -1.330 8.734 1.00 5.57 H new ATOM 0 HD1 HIS A 68 0.665 0.064 8.763 1.00 13.74 H new ATOM 0 HD2 HIS A 68 -1.289 -3.362 10.022 1.00 12.79 H new ATOM 0 HE1 HIS A 68 2.360 -1.236 10.227 1.00 14.75 H new ATOM 1096 N LEU A 69 -3.741 -1.862 5.393 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.796 -1.464 4.435 1.00 3.97 C ATOM 1098 C LEU A 69 -5.987 -0.935 5.190 1.00 5.07 C ATOM 1099 O LEU A 69 -6.742 -1.597 5.927 1.00 4.34 O ATOM 1100 CB LEU A 69 -5.216 -2.553 3.441 1.00 6.08 C ATOM 1101 CG LEU A 69 -6.091 -2.301 2.209 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.637 -1.170 1.233 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -6.160 -3.578 1.356 1.00 9.96 C ATOM 0 H LEU A 69 -3.801 -2.842 5.670 1.00 5.29 H new ATOM 0 HA LEU A 69 -4.359 -0.683 3.813 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -4.293 -3.000 3.072 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -5.728 -3.317 4.026 1.00 6.08 H new ATOM 0 HG LEU A 69 -7.039 -1.987 2.645 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.343 -1.098 0.406 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.605 -0.220 1.767 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.646 -1.402 0.844 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.783 -3.397 0.480 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -5.156 -3.857 1.036 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.590 -4.387 1.946 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.183 0.394 4.938 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.256 1.212 5.486 1.00 6.26 C ATOM 1117 C VAL A 70 -8.161 1.544 4.346 1.00 9.22 C ATOM 1118 O VAL A 70 -7.647 1.812 3.266 1.00 9.36 O ATOM 1119 CB VAL A 70 -6.650 2.441 6.144 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -7.805 3.536 6.411 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -5.921 2.006 7.423 1.00 8.54 C ATOM 0 H VAL A 70 -5.564 0.923 4.323 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.833 0.701 6.257 1.00 6.26 H new ATOM 0 HB VAL A 70 -5.915 2.916 5.494 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -7.369 4.417 6.883 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -8.262 3.821 5.463 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.564 3.111 7.067 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -5.481 2.879 7.906 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.630 1.534 8.103 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -5.134 1.296 7.169 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.452 1.462 4.436 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.248 1.678 3.166 1.00 16.06 C ATOM 1133 C LEU A 71 -10.977 3.026 3.386 1.00 18.09 C ATOM 1134 O LEU A 71 -11.351 3.351 4.526 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.213 0.510 2.999 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.446 -0.771 2.529 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -11.452 -1.918 2.439 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -9.668 -0.636 1.239 1.00 19.57 C ATOM 0 H LEU A 71 -9.987 1.265 5.282 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.646 1.718 2.258 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.720 0.312 3.943 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.983 0.768 2.272 1.00 17.10 H new ATOM 0 HG LEU A 71 -9.674 -0.962 3.274 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -10.942 -2.824 2.113 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -11.900 -2.086 3.418 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -12.232 -1.662 1.722 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -9.177 -1.582 1.010 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -10.349 -0.375 0.429 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -8.916 0.146 1.348 1.00 19.57 H new ATOM 1150 N ARG A 72 -11.056 3.819 2.321 1.00 21.47 N ATOM 1151 CA ARG A 72 -11.452 5.233 2.321 1.00 25.83 C ATOM 1152 C ARG A 72 -12.894 5.380 1.854 1.00 27.74 C ATOM 1153 O ARG A 72 -13.479 6.471 1.777 1.00 30.65 O ATOM 1154 CB ARG A 72 -10.538 5.968 1.291 1.00 28.49 C ATOM 1155 CG ARG A 72 -10.777 7.508 1.134 1.00 31.79 C ATOM 1156 CD ARG A 72 -9.627 8.213 0.359 1.00 34.05 C ATOM 1157 NE ARG A 72 -10.047 9.614 0.106 1.00 35.08 N ATOM 1158 CZ ARG A 72 -9.510 10.327 -0.920 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -8.520 9.814 -1.628 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -9.960 11.569 -1.100 1.00 35.02 N ATOM 0 H ARG A 72 -10.835 3.480 1.385 1.00 21.47 H new ATOM 0 HA ARG A 72 -11.357 5.644 3.326 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -9.499 5.810 1.580 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -10.673 5.499 0.316 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -11.719 7.675 0.611 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -10.876 7.960 2.121 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -8.704 8.189 0.939 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -9.427 7.698 -0.581 1.00 34.05 H new ATOM 0 HE ARG A 72 -10.747 10.047 0.709 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -8.161 8.886 -1.405 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -8.115 10.346 -2.398 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -10.677 11.946 -0.481 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -9.587 12.142 -1.857 1.00 35.02 H new ATOM 1174 N LEU A 73 -13.603 4.246 1.531 1.00 28.93 N ATOM 1175 CA LEU A 73 -15.011 4.094 1.242 1.00 30.76 C ATOM 1176 C LEU A 73 -16.003 4.996 1.943 1.00 32.18 C ATOM 1177 O LEU A 73 -15.771 5.326 3.097 1.00 32.31 O ATOM 1178 CB LEU A 73 -15.408 2.674 1.605 1.00 30.53 C ATOM 1179 CG LEU A 73 -14.638 1.484 0.887 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -14.923 0.186 1.676 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -15.059 1.484 -0.623 1.00 29.11 C ATOM 0 H LEU A 73 -13.124 3.347 1.470 1.00 28.93 H new ATOM 0 HA LEU A 73 -15.078 4.367 0.189 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -15.280 2.555 2.681 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -16.472 2.560 1.396 1.00 30.53 H new ATOM 0 HG LEU A 73 -13.553 1.589 0.888 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -14.405 -0.648 1.203 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -14.570 0.298 2.701 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -15.995 -0.009 1.681 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -14.545 0.676 -1.144 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -16.136 1.338 -0.700 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -14.788 2.438 -1.076 1.00 29.11 H new ATOM 1193 N ARG A 74 -17.024 5.385 1.250 1.00 33.82 N ATOM 1194 CA ARG A 74 -17.911 6.494 1.598 1.00 35.33 C ATOM 1195 C ARG A 74 -18.437 6.496 3.064 1.00 36.22 C ATOM 1196 O ARG A 74 -18.375 7.507 3.777 1.00 36.70 O ATOM 1197 CB ARG A 74 -19.132 6.419 0.611 1.00 36.91 C ATOM 1198 CG ARG A 74 -18.858 6.768 -0.832 1.00 38.62 C ATOM 1199 CD ARG A 74 -18.307 8.187 -1.088 1.00 39.75 C ATOM 1200 NE ARG A 74 -18.112 8.251 -2.599 1.00 41.13 N ATOM 1201 CZ ARG A 74 -17.470 9.273 -3.219 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -16.923 10.279 -2.513 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -17.292 9.271 -4.500 1.00 41.93 N ATOM 0 H ARG A 74 -17.292 4.927 0.379 1.00 33.82 H new ATOM 0 HA ARG A 74 -17.331 7.413 1.512 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -19.536 5.407 0.646 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -19.910 7.086 0.981 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -18.147 6.045 -1.232 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -19.783 6.651 -1.396 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -19.004 8.952 -0.744 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -17.368 8.350 -0.559 1.00 39.75 H new ATOM 0 HE ARG A 74 -18.481 7.491 -3.170 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -16.987 10.281 -1.495 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -16.444 11.039 -2.996 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -17.637 8.492 -5.062 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -16.807 10.048 -4.949 1.00 41.93 H new ATOM 1217 N GLY A 75 -18.877 5.350 3.440 1.00 36.31 N ATOM 1218 CA GLY A 75 -19.545 5.064 4.696 1.00 36.07 C ATOM 1219 C GLY A 75 -18.669 5.010 5.953 1.00 36.16 C ATOM 1220 O GLY A 75 -19.213 4.817 7.038 1.00 36.26 O ATOM 0 H GLY A 75 -18.783 4.521 2.853 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -20.314 5.821 4.851 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -20.056 4.106 4.598 1.00 36.07 H new ATOM 1224 N GLY A 76 -17.376 5.196 5.816 1.00 36.05 N ATOM 1225 CA GLY A 76 -16.410 5.263 6.923 1.00 36.19 C ATOM 1226 C GLY A 76 -15.214 6.141 6.507 1.00 36.20 C ATOM 1227 O GLY A 76 -14.153 5.429 6.428 1.00 0.00 O ATOM 1228 OXT GLY A 76 -15.315 7.369 6.354 1.00 0.00 O ATOM 0 H GLY A 76 -16.938 5.311 4.902 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -16.887 5.676 7.812 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -16.067 4.261 7.182 1.00 36.19 H new TER 1232 GLY A 76