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 180:sc= 0.0103 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 22 THR OG1 : rot -146:sc= 0.729 USER MOD Set 2.2: A 25 ASN : amide:sc= 0.813 K(o=1.5,f=0.011) USER MOD Set 3.1: A 6 LYS NZ :NH3+ 152:sc= 1.16 (180deg=0) USER MOD Set 3.2: A 12 THR OG1 : rot 150:sc= 0.985 USER MOD Single : A 1 MET CE :methyl -170:sc= 0 (180deg=-0.078) USER MOD Single : A 1 MET N :NH3+ 175:sc= 2.38 (180deg=2.22) USER MOD Single : A 2 GLN : amide:sc= 0.452 K(o=0.45,f=-0.39) USER MOD Single : A 7 THR OG1 : rot -73:sc= 0.496 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ -124:sc= 1.1 (180deg=-0.875!) USER MOD Single : A 14 THR OG1 : rot -78:sc= 0.016 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 130:sc= 1.35 (180deg=0.862) USER MOD Single : A 29 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0747) USER MOD Single : A 31 GLN : amide:sc= -1.39 X(o=-1.4,f=-1.5) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.571 X(o=-0.57,f=-0.78) USER MOD Single : A 41 GLN : amide:sc= 1.52 K(o=1.5,f=-2.1!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.215 K(o=-0.21,f=-1.2) USER MOD Single : A 59 TYR OH : rot 30:sc= 0.567 USER MOD Single : A 60 ASN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -150:sc= 0.0155 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -1.34 K(o=-1.3,f=-2.3) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.909 -7.011 -4.615 1.00 9.67 N ATOM 2 CA MET A 1 11.868 -7.374 -3.152 1.00 10.38 C ATOM 3 C MET A 1 10.425 -7.694 -2.680 1.00 9.62 C ATOM 4 O MET A 1 9.470 -7.311 -3.374 1.00 9.62 O ATOM 5 CB MET A 1 12.506 -6.161 -2.330 1.00 13.77 C ATOM 6 CG MET A 1 11.687 -4.847 -2.246 1.00 16.29 C ATOM 7 SD MET A 1 12.428 -3.687 -0.973 1.00 17.17 S ATOM 8 CE MET A 1 11.318 -2.275 -1.358 1.00 16.11 C ATOM 0 H1 MET A 1 12.874 -6.722 -4.874 1.00 9.67 H new ATOM 0 H2 MET A 1 11.629 -7.835 -5.185 1.00 9.67 H new ATOM 0 H3 MET A 1 11.252 -6.225 -4.796 1.00 9.67 H new ATOM 0 HA MET A 1 12.445 -8.283 -2.978 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.695 -6.506 -1.313 1.00 13.77 H new ATOM 0 HB3 MET A 1 13.474 -5.927 -2.772 1.00 13.77 H new ATOM 0 HG2 MET A 1 11.668 -4.361 -3.221 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.654 -5.073 -1.982 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.675 -1.382 -0.846 1.00 16.11 H new ATOM 0 HE2 MET A 1 11.313 -2.099 -2.434 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.307 -2.506 -1.024 1.00 16.11 H new ATOM 20 N GLN A 2 10.294 -8.355 -1.518 1.00 9.27 N ATOM 21 CA GLN A 2 8.970 -8.687 -0.974 1.00 9.07 C ATOM 22 C GLN A 2 8.408 -7.703 0.032 1.00 8.72 C ATOM 23 O GLN A 2 9.043 -7.441 1.064 1.00 8.22 O ATOM 24 CB GLN A 2 9.094 -10.122 -0.296 1.00 14.46 C ATOM 25 CG GLN A 2 7.718 -10.779 0.029 1.00 17.01 C ATOM 26 CD GLN A 2 7.302 -11.768 -1.068 1.00 20.10 C ATOM 27 OE1 GLN A 2 7.461 -12.985 -0.876 1.00 21.89 O ATOM 28 NE2 GLN A 2 6.708 -11.323 -2.199 1.00 19.49 N ATOM 0 H GLN A 2 11.078 -8.666 -0.945 1.00 9.27 H new ATOM 0 HA GLN A 2 8.267 -8.657 -1.806 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.654 -10.781 -0.959 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.670 -10.031 0.625 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.777 -11.297 0.986 1.00 17.01 H new ATOM 0 HG3 GLN A 2 6.958 -10.005 0.132 1.00 17.01 H new ATOM 0 HE21 GLN A 2 6.581 -10.322 -2.349 1.00 19.49 H new ATOM 0 HE22 GLN A 2 6.387 -11.988 -2.902 1.00 19.49 H new ATOM 37 N ILE A 3 7.183 -7.248 -0.084 1.00 5.87 N ATOM 38 CA ILE A 3 6.425 -6.455 0.915 1.00 5.07 C ATOM 39 C ILE A 3 5.086 -7.107 1.332 1.00 4.01 C ATOM 40 O ILE A 3 4.443 -7.784 0.525 1.00 4.61 O ATOM 41 CB ILE A 3 6.115 -4.977 0.494 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.012 -4.779 -0.556 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.529 -4.347 0.111 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.849 -3.331 -1.109 1.00 10.83 C ATOM 0 H ILE A 3 6.634 -7.421 -0.926 1.00 5.87 H new ATOM 0 HA ILE A 3 7.117 -6.438 1.757 1.00 5.07 H new ATOM 0 HB ILE A 3 5.651 -4.446 1.325 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.211 -5.447 -1.394 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.062 -5.089 -0.120 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.394 -3.310 -0.195 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.191 -4.387 0.976 1.00 5.58 H new ATOM 0 HG23 ILE A 3 7.969 -4.913 -0.710 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.043 -3.310 -1.842 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.612 -2.653 -0.289 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.778 -3.016 -1.583 1.00 10.83 H new ATOM 56 N PHE A 4 4.647 -6.891 2.610 1.00 4.55 N ATOM 57 CA PHE A 4 3.515 -7.566 3.194 1.00 4.68 C ATOM 58 C PHE A 4 2.523 -6.620 3.632 1.00 5.30 C ATOM 59 O PHE A 4 2.776 -5.745 4.471 1.00 5.58 O ATOM 60 CB PHE A 4 3.874 -8.382 4.481 1.00 4.83 C ATOM 61 CG PHE A 4 4.988 -9.402 4.249 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.776 -10.408 3.285 1.00 6.69 C ATOM 63 CD2 PHE A 4 6.127 -9.477 5.071 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.695 -11.364 3.040 1.00 9.10 C ATOM 65 CE2 PHE A 4 7.051 -10.555 4.886 1.00 10.61 C ATOM 66 CZ PHE A 4 6.820 -11.470 3.863 1.00 8.90 C ATOM 0 H PHE A 4 5.096 -6.230 3.244 1.00 4.55 H new ATOM 0 HA PHE A 4 3.159 -8.228 2.404 1.00 4.68 H new ATOM 0 HB2 PHE A 4 4.178 -7.693 5.269 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.983 -8.900 4.837 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.851 -10.413 2.727 1.00 6.69 H new ATOM 0 HD2 PHE A 4 6.302 -8.731 5.832 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.562 -12.045 2.212 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.913 -10.656 5.529 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.522 -12.275 3.702 1.00 8.90 H new ATOM 76 N VAL A 5 1.338 -6.710 3.024 1.00 4.44 N ATOM 77 CA VAL A 5 0.233 -5.778 3.277 1.00 3.87 C ATOM 78 C VAL A 5 -0.813 -6.434 4.243 1.00 4.93 C ATOM 79 O VAL A 5 -1.529 -7.369 3.962 1.00 6.84 O ATOM 80 CB VAL A 5 -0.500 -5.307 2.001 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.496 -4.205 2.390 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.480 -4.685 1.049 1.00 9.13 C ATOM 0 H VAL A 5 1.116 -7.433 2.340 1.00 4.44 H new ATOM 0 HA VAL A 5 0.690 -4.897 3.727 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.995 -6.162 1.541 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.023 -3.860 1.500 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.215 -4.601 3.107 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -0.958 -3.370 2.839 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -0.044 -4.355 0.152 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.957 -3.829 1.526 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.239 -5.419 0.777 1.00 9.13 H new ATOM 92 N LYS A 6 -0.895 -5.985 5.472 1.00 6.04 N ATOM 93 CA LYS A 6 -1.884 -6.318 6.469 1.00 6.12 C ATOM 94 C LYS A 6 -3.204 -5.679 6.090 1.00 6.57 C ATOM 95 O LYS A 6 -3.324 -4.765 5.234 1.00 5.76 O ATOM 96 CB LYS A 6 -1.413 -5.953 7.888 1.00 7.45 C ATOM 97 CG LYS A 6 -0.088 -6.608 8.289 1.00 11.12 C ATOM 98 CD LYS A 6 -0.150 -8.142 8.128 1.00 14.54 C ATOM 99 CE LYS A 6 0.934 -8.907 8.866 1.00 18.84 C ATOM 100 NZ LYS A 6 0.598 -10.352 8.963 1.00 20.55 N ATOM 0 H LYS A 6 -0.211 -5.319 5.831 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.029 -7.398 6.492 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.308 -4.870 7.958 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.183 -6.246 8.602 1.00 7.45 H new ATOM 0 HG2 LYS A 6 0.719 -6.208 7.675 1.00 11.12 H new ATOM 0 HG3 LYS A 6 0.145 -6.358 9.324 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -1.122 -8.490 8.477 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -0.087 -8.384 7.067 1.00 14.54 H new ATOM 0 HE2 LYS A 6 1.886 -8.786 8.348 1.00 18.84 H new ATOM 0 HE3 LYS A 6 1.060 -8.492 9.866 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 1.474 -10.909 9.016 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 0.029 -10.519 9.817 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 0.056 -10.639 8.124 1.00 20.55 H new ATOM 114 N THR A 7 -4.312 -6.139 6.663 1.00 7.41 N ATOM 115 CA THR A 7 -5.672 -5.714 6.235 1.00 7.48 C ATOM 116 C THR A 7 -6.563 -5.785 7.508 1.00 8.75 C ATOM 117 O THR A 7 -6.241 -6.452 8.504 1.00 8.58 O ATOM 118 CB THR A 7 -6.282 -6.498 5.025 1.00 9.61 C ATOM 119 OG1 THR A 7 -6.690 -7.801 5.496 1.00 11.78 O ATOM 120 CG2 THR A 7 -5.394 -6.712 3.761 1.00 9.17 C ATOM 0 H THR A 7 -4.311 -6.811 7.431 1.00 7.41 H new ATOM 0 HA THR A 7 -5.613 -4.704 5.830 1.00 7.48 H new ATOM 0 HB THR A 7 -7.091 -5.854 4.680 1.00 9.61 H new ATOM 0 HG1 THR A 7 -5.897 -8.354 5.657 1.00 11.78 H new ATOM 0 HG21 THR A 7 -5.956 -7.270 3.012 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.105 -5.744 3.351 1.00 9.17 H new ATOM 0 HG23 THR A 7 -4.500 -7.271 4.035 1.00 9.17 H new ATOM 128 N LEU A 8 -7.669 -4.994 7.533 1.00 9.84 N ATOM 129 CA LEU A 8 -8.497 -4.801 8.707 1.00 14.15 C ATOM 130 C LEU A 8 -9.116 -6.071 9.310 1.00 17.37 C ATOM 131 O LEU A 8 -9.008 -6.318 10.526 1.00 17.01 O ATOM 132 CB LEU A 8 -9.641 -3.735 8.531 1.00 16.63 C ATOM 133 CG LEU A 8 -10.567 -3.520 9.730 1.00 18.88 C ATOM 134 CD1 LEU A 8 -9.954 -2.771 10.898 1.00 19.31 C ATOM 135 CD2 LEU A 8 -11.858 -2.770 9.267 1.00 18.59 C ATOM 0 H LEU A 8 -7.996 -4.476 6.718 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.754 -4.425 9.411 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -9.181 -2.779 8.280 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.252 -4.028 7.677 1.00 16.63 H new ATOM 0 HG LEU A 8 -10.787 -4.521 10.102 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -10.692 -2.672 11.694 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -9.090 -3.322 11.270 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -9.639 -1.780 10.570 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -12.517 -2.618 10.122 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -11.585 -1.804 8.842 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -12.374 -3.365 8.513 1.00 18.59 H new ATOM 147 N THR A 9 -9.690 -6.857 8.433 1.00 18.33 N ATOM 148 CA THR A 9 -10.449 -8.037 8.795 1.00 19.24 C ATOM 149 C THR A 9 -9.651 -9.293 8.930 1.00 19.48 C ATOM 150 O THR A 9 -10.211 -10.405 8.828 1.00 23.14 O ATOM 151 CB THR A 9 -11.668 -8.280 7.878 1.00 18.97 C ATOM 152 OG1 THR A 9 -11.243 -8.383 6.561 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.629 -7.072 7.980 1.00 19.70 C ATOM 0 H THR A 9 -9.644 -6.695 7.427 1.00 18.33 H new ATOM 0 HA THR A 9 -10.806 -7.793 9.796 1.00 19.24 H new ATOM 0 HB THR A 9 -12.171 -9.197 8.185 1.00 18.97 H new ATOM 0 HG1 THR A 9 -12.016 -8.539 5.979 1.00 20.24 H new ATOM 0 HG21 THR A 9 -13.492 -7.238 7.335 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.964 -6.959 9.011 1.00 19.70 H new ATOM 0 HG23 THR A 9 -12.110 -6.166 7.666 1.00 19.70 H new ATOM 161 N GLY A 10 -8.338 -9.156 9.002 1.00 19.43 N ATOM 162 CA GLY A 10 -7.377 -10.297 9.174 1.00 18.74 C ATOM 163 C GLY A 10 -7.182 -10.952 7.875 1.00 17.62 C ATOM 164 O GLY A 10 -7.897 -11.884 7.533 1.00 19.74 O ATOM 0 H GLY A 10 -7.876 -8.248 8.945 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -6.425 -9.933 9.560 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -7.764 -11.010 9.902 1.00 18.74 H new ATOM 168 N LYS A 11 -6.138 -10.497 7.108 1.00 13.56 N ATOM 169 CA LYS A 11 -5.568 -11.249 6.044 1.00 11.91 C ATOM 170 C LYS A 11 -4.177 -10.565 5.765 1.00 10.18 C ATOM 171 O LYS A 11 -4.127 -9.295 5.864 1.00 9.10 O ATOM 172 CB LYS A 11 -6.342 -11.233 4.716 1.00 13.43 C ATOM 173 CG LYS A 11 -5.823 -12.105 3.543 1.00 16.69 C ATOM 174 CD LYS A 11 -6.891 -12.246 2.483 1.00 17.92 C ATOM 175 CE LYS A 11 -7.130 -11.022 1.601 1.00 20.81 C ATOM 176 NZ LYS A 11 -8.222 -11.244 0.672 1.00 21.93 N ATOM 0 H LYS A 11 -5.698 -9.587 7.248 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.545 -12.293 6.358 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.367 -11.538 4.927 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.382 -10.201 4.369 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -4.930 -11.652 3.112 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -5.535 -13.089 3.912 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -6.627 -13.086 1.840 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.830 -12.503 2.974 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -7.353 -10.158 2.227 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -6.221 -10.788 1.047 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -7.889 -11.084 -0.300 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -8.563 -12.222 0.765 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.998 -10.585 0.884 1.00 21.93 H new ATOM 190 N THR A 12 -3.103 -11.345 5.314 1.00 9.63 N ATOM 191 CA THR A 12 -1.788 -10.765 4.900 1.00 9.85 C ATOM 192 C THR A 12 -1.717 -10.884 3.408 1.00 11.66 C ATOM 193 O THR A 12 -1.695 -11.992 2.955 1.00 12.33 O ATOM 194 CB THR A 12 -0.628 -11.475 5.470 1.00 10.85 C ATOM 195 OG1 THR A 12 -0.845 -11.611 6.903 1.00 10.91 O ATOM 196 CG2 THR A 12 0.690 -10.810 5.118 1.00 9.63 C ATOM 0 H THR A 12 -3.145 -12.361 5.237 1.00 9.63 H new ATOM 0 HA THR A 12 -1.739 -9.737 5.260 1.00 9.85 H new ATOM 0 HB THR A 12 -0.547 -12.469 5.030 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.408 -12.427 7.224 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.511 -11.372 5.562 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.809 -10.789 4.035 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.698 -9.791 5.504 1.00 9.63 H new ATOM 204 N ILE A 13 -1.598 -9.783 2.665 1.00 10.42 N ATOM 205 CA ILE A 13 -1.362 -9.862 1.205 1.00 11.84 C ATOM 206 C ILE A 13 0.149 -9.912 1.077 1.00 10.55 C ATOM 207 O ILE A 13 0.833 -9.059 1.632 1.00 11.92 O ATOM 208 CB ILE A 13 -1.879 -8.670 0.431 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.395 -8.485 0.719 1.00 14.87 C ATOM 210 CG2 ILE A 13 -1.597 -8.870 -1.044 1.00 17.08 C ATOM 211 CD1 ILE A 13 -3.847 -7.186 0.130 1.00 16.46 C ATOM 0 H ILE A 13 -1.659 -8.834 3.034 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.888 -10.722 0.791 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.370 -7.759 0.745 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -3.963 -9.311 0.291 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.578 -8.495 1.793 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -1.968 -8.012 -1.605 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -0.522 -8.967 -1.199 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -2.097 -9.774 -1.391 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -4.910 -7.047 0.327 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.285 -6.367 0.580 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -3.676 -7.195 -0.946 1.00 16.46 H new ATOM 223 N THR A 14 0.724 -10.841 0.303 1.00 9.39 N ATOM 224 CA THR A 14 2.138 -10.941 0.055 1.00 9.63 C ATOM 225 C THR A 14 2.302 -10.291 -1.351 1.00 11.20 C ATOM 226 O THR A 14 1.655 -10.791 -2.288 1.00 11.63 O ATOM 227 CB THR A 14 2.692 -12.338 0.146 1.00 10.38 C ATOM 228 OG1 THR A 14 2.733 -12.839 1.461 1.00 16.30 O ATOM 229 CG2 THR A 14 4.111 -12.622 -0.486 1.00 11.66 C ATOM 0 H THR A 14 0.185 -11.561 -0.177 1.00 9.39 H new ATOM 0 HA THR A 14 2.722 -10.435 0.824 1.00 9.63 H new ATOM 0 HB THR A 14 1.958 -12.852 -0.475 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.504 -12.460 1.932 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.371 -13.670 -0.340 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.085 -12.400 -1.553 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.858 -11.992 -0.002 1.00 11.66 H new ATOM 237 N LEU A 15 3.208 -9.258 -1.486 1.00 8.29 N ATOM 238 CA LEU A 15 3.514 -8.673 -2.821 1.00 9.03 C ATOM 239 C LEU A 15 4.985 -8.561 -3.121 1.00 8.59 C ATOM 240 O LEU A 15 5.858 -8.608 -2.266 1.00 7.79 O ATOM 241 CB LEU A 15 2.861 -7.230 -3.070 1.00 11.08 C ATOM 242 CG LEU A 15 1.323 -7.286 -3.049 1.00 15.79 C ATOM 243 CD1 LEU A 15 0.714 -5.879 -3.140 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.724 -8.123 -4.187 1.00 15.27 C ATOM 0 H LEU A 15 3.716 -8.835 -0.709 1.00 8.29 H new ATOM 0 HA LEU A 15 3.060 -9.398 -3.496 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.210 -6.537 -2.305 1.00 11.08 H new ATOM 0 HB3 LEU A 15 3.197 -6.840 -4.031 1.00 11.08 H new ATOM 0 HG LEU A 15 1.075 -7.760 -2.099 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -0.373 -5.951 -3.123 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.051 -5.281 -2.293 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.031 -5.404 -4.069 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.363 -8.118 -4.109 1.00 15.27 H new ATOM 0 HD22 LEU A 15 1.021 -7.699 -5.146 1.00 15.27 H new ATOM 0 HD23 LEU A 15 1.088 -9.148 -4.115 1.00 15.27 H new ATOM 256 N GLU A 16 5.301 -8.411 -4.442 1.00 11.04 N ATOM 257 CA GLU A 16 6.641 -8.192 -4.961 1.00 11.50 C ATOM 258 C GLU A 16 6.756 -6.956 -5.802 1.00 10.13 C ATOM 259 O GLU A 16 5.903 -6.706 -6.645 1.00 9.83 O ATOM 260 CB GLU A 16 6.897 -9.387 -5.993 1.00 17.22 C ATOM 261 CG GLU A 16 8.238 -9.315 -6.782 1.00 23.33 C ATOM 262 CD GLU A 16 9.461 -9.406 -5.856 1.00 26.99 C ATOM 263 OE1 GLU A 16 9.439 -10.268 -4.938 1.00 28.86 O ATOM 264 OE2 GLU A 16 10.413 -8.624 -6.058 1.00 28.90 O ATOM 0 H GLU A 16 4.594 -8.444 -5.176 1.00 11.04 H new ATOM 0 HA GLU A 16 7.324 -8.119 -4.115 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.868 -10.329 -5.446 1.00 17.22 H new ATOM 0 HB3 GLU A 16 6.075 -9.408 -6.709 1.00 17.22 H new ATOM 0 HG2 GLU A 16 8.274 -10.126 -7.509 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.278 -8.381 -7.343 1.00 23.33 H new ATOM 271 N VAL A 17 7.784 -6.171 -5.523 1.00 8.99 N ATOM 272 CA VAL A 17 7.972 -4.809 -5.947 1.00 8.85 C ATOM 273 C VAL A 17 9.466 -4.469 -5.994 1.00 8.04 C ATOM 274 O VAL A 17 10.249 -5.049 -5.335 1.00 8.99 O ATOM 275 CB VAL A 17 7.344 -3.790 -5.010 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.728 -3.790 -5.086 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.956 -3.922 -3.574 1.00 10.54 C ATOM 0 H VAL A 17 8.561 -6.502 -4.952 1.00 8.99 H new ATOM 0 HA VAL A 17 7.494 -4.749 -6.925 1.00 8.85 H new ATOM 0 HB VAL A 17 7.603 -2.786 -5.347 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.331 -3.044 -4.397 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.412 -3.551 -6.101 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.351 -4.775 -4.811 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.497 -3.186 -2.914 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.766 -4.924 -3.188 1.00 10.54 H new ATOM 0 HG23 VAL A 17 9.031 -3.748 -3.619 1.00 10.54 H new ATOM 287 N GLU A 18 9.828 -3.447 -6.776 1.00 7.29 N ATOM 288 CA GLU A 18 11.131 -2.742 -6.667 1.00 7.08 C ATOM 289 C GLU A 18 11.042 -1.486 -5.733 1.00 6.45 C ATOM 290 O GLU A 18 9.964 -0.997 -5.444 1.00 5.28 O ATOM 291 CB GLU A 18 11.618 -2.270 -8.102 1.00 10.28 C ATOM 292 CG GLU A 18 11.766 -3.517 -8.955 1.00 12.65 C ATOM 293 CD GLU A 18 12.956 -4.438 -8.563 1.00 14.15 C ATOM 294 OE1 GLU A 18 14.085 -3.887 -8.436 1.00 18.17 O ATOM 295 OE2 GLU A 18 12.716 -5.685 -8.414 1.00 14.33 O ATOM 0 H GLU A 18 9.227 -3.075 -7.512 1.00 7.29 H new ATOM 0 HA GLU A 18 11.840 -3.448 -6.235 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.898 -1.583 -8.546 1.00 10.28 H new ATOM 0 HB3 GLU A 18 12.566 -1.737 -8.031 1.00 10.28 H new ATOM 0 HG2 GLU A 18 10.843 -4.094 -8.894 1.00 12.65 H new ATOM 0 HG3 GLU A 18 11.885 -3.216 -9.996 1.00 12.65 H new ATOM 302 N PRO A 19 12.101 -1.013 -5.114 1.00 7.24 N ATOM 303 CA PRO A 19 12.069 0.161 -4.252 1.00 7.07 C ATOM 304 C PRO A 19 11.581 1.381 -4.932 1.00 6.65 C ATOM 305 O PRO A 19 11.207 2.441 -4.377 1.00 6.37 O ATOM 306 CB PRO A 19 13.500 0.345 -3.764 1.00 7.61 C ATOM 307 CG PRO A 19 14.072 -1.072 -3.841 1.00 8.16 C ATOM 308 CD PRO A 19 13.437 -1.655 -5.089 1.00 7.49 C ATOM 0 HA PRO A 19 11.364 0.005 -3.436 1.00 7.07 H new ATOM 0 HB2 PRO A 19 14.056 1.040 -4.394 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.533 0.739 -2.748 1.00 7.61 H new ATOM 0 HG2 PRO A 19 15.159 -1.060 -3.914 1.00 8.16 H new ATOM 0 HG3 PRO A 19 13.819 -1.654 -2.955 1.00 8.16 H new ATOM 0 HD2 PRO A 19 14.014 -1.420 -5.983 1.00 7.49 H new ATOM 0 HD3 PRO A 19 13.362 -2.741 -5.034 1.00 7.49 H new ATOM 316 N SER A 20 11.612 1.362 -6.239 1.00 6.80 N ATOM 317 CA SER A 20 11.460 2.455 -7.201 1.00 6.28 C ATOM 318 C SER A 20 10.104 2.238 -7.875 1.00 8.45 C ATOM 319 O SER A 20 9.823 2.768 -8.942 1.00 7.26 O ATOM 320 CB SER A 20 12.557 2.433 -8.346 1.00 8.57 C ATOM 321 OG SER A 20 12.705 1.164 -9.001 1.00 11.13 O ATOM 0 H SER A 20 11.762 0.479 -6.726 1.00 6.80 H new ATOM 0 HA SER A 20 11.555 3.402 -6.670 1.00 6.28 H new ATOM 0 HB2 SER A 20 12.301 3.186 -9.092 1.00 8.57 H new ATOM 0 HB3 SER A 20 13.517 2.722 -7.918 1.00 8.57 H new ATOM 0 HG SER A 20 13.396 1.231 -9.693 1.00 11.13 H new ATOM 327 N ASP A 21 9.235 1.458 -7.215 1.00 7.50 N ATOM 328 CA ASP A 21 7.812 1.406 -7.567 1.00 7.70 C ATOM 329 C ASP A 21 7.097 2.309 -6.551 1.00 7.08 C ATOM 330 O ASP A 21 7.525 2.476 -5.418 1.00 8.11 O ATOM 331 CB ASP A 21 7.214 -0.033 -7.394 1.00 11.00 C ATOM 332 CG ASP A 21 7.432 -0.879 -8.645 1.00 15.32 C ATOM 333 OD1 ASP A 21 6.902 -0.544 -9.733 1.00 14.36 O ATOM 334 OD2 ASP A 21 8.065 -1.969 -8.511 1.00 18.03 O ATOM 0 H ASP A 21 9.495 0.855 -6.434 1.00 7.50 H new ATOM 0 HA ASP A 21 7.685 1.708 -8.607 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.678 -0.521 -6.537 1.00 11.00 H new ATOM 0 HB3 ASP A 21 6.147 0.037 -7.182 1.00 11.00 H new ATOM 339 N THR A 22 5.977 2.875 -6.987 1.00 5.37 N ATOM 340 CA THR A 22 5.191 3.876 -6.245 1.00 6.01 C ATOM 341 C THR A 22 4.056 3.255 -5.482 1.00 8.01 C ATOM 342 O THR A 22 3.436 2.225 -5.756 1.00 8.11 O ATOM 343 CB THR A 22 4.526 5.000 -7.129 1.00 8.92 C ATOM 344 OG1 THR A 22 3.792 4.464 -8.219 1.00 10.22 O ATOM 345 CG2 THR A 22 5.542 5.903 -7.805 1.00 9.65 C ATOM 0 H THR A 22 5.571 2.648 -7.895 1.00 5.37 H new ATOM 0 HA THR A 22 5.944 4.321 -5.594 1.00 6.01 H new ATOM 0 HB THR A 22 3.901 5.540 -6.418 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.859 5.069 -8.987 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.022 6.655 -8.398 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.152 6.396 -7.048 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.183 5.307 -8.455 1.00 9.65 H new ATOM 353 N ILE A 23 3.669 4.019 -4.418 1.00 8.32 N ATOM 354 CA ILE A 23 2.394 3.885 -3.694 1.00 9.92 C ATOM 355 C ILE A 23 1.181 3.736 -4.645 1.00 10.01 C ATOM 356 O ILE A 23 0.394 2.830 -4.425 1.00 8.71 O ATOM 357 CB ILE A 23 2.285 5.021 -2.730 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.451 5.075 -1.771 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.920 4.976 -1.869 1.00 10.90 C ATOM 360 CD1 ILE A 23 3.795 3.761 -1.032 1.00 12.30 C ATOM 0 H ILE A 23 4.259 4.760 -4.041 1.00 8.32 H new ATOM 0 HA ILE A 23 2.382 2.954 -3.127 1.00 9.92 H new ATOM 0 HB ILE A 23 2.286 5.916 -3.352 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.333 5.397 -2.324 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.245 5.842 -1.025 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.893 5.824 -1.185 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.064 5.025 -2.542 1.00 10.90 H new ATOM 0 HG23 ILE A 23 0.880 4.048 -1.298 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.648 3.926 -0.374 1.00 12.30 H new ATOM 0 HD12 ILE A 23 2.937 3.441 -0.441 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.043 2.988 -1.760 1.00 12.30 H new ATOM 372 N GLU A 24 1.039 4.594 -5.732 1.00 9.54 N ATOM 373 CA GLU A 24 -0.030 4.383 -6.710 1.00 11.81 C ATOM 374 C GLU A 24 0.018 3.035 -7.355 1.00 11.14 C ATOM 375 O GLU A 24 -1.005 2.335 -7.471 1.00 10.62 O ATOM 376 CB GLU A 24 0.006 5.409 -7.816 1.00 19.24 C ATOM 377 CG GLU A 24 -1.199 5.432 -8.795 1.00 27.76 C ATOM 378 CD GLU A 24 -1.027 6.447 -9.922 1.00 32.92 C ATOM 379 OE1 GLU A 24 -0.353 6.066 -10.885 1.00 34.80 O ATOM 380 OE2 GLU A 24 -1.585 7.577 -9.873 1.00 36.51 O ATOM 0 H GLU A 24 1.641 5.396 -5.919 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.948 4.474 -6.130 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.091 6.396 -7.360 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.913 5.248 -8.399 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.332 4.439 -9.224 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.108 5.663 -8.240 1.00 27.76 H new ATOM 387 N ASN A 25 1.219 2.531 -7.657 1.00 9.43 N ATOM 388 CA ASN A 25 1.411 1.235 -8.252 1.00 10.96 C ATOM 389 C ASN A 25 1.244 0.039 -7.318 1.00 9.68 C ATOM 390 O ASN A 25 0.707 -1.006 -7.732 1.00 9.33 O ATOM 391 CB ASN A 25 2.658 1.042 -9.071 1.00 16.78 C ATOM 392 CG ASN A 25 2.489 1.644 -10.421 1.00 22.31 C ATOM 393 OD1 ASN A 25 2.013 1.063 -11.385 1.00 25.66 O ATOM 394 ND2 ASN A 25 2.955 2.902 -10.524 1.00 24.70 N ATOM 0 H ASN A 25 2.090 3.033 -7.486 1.00 9.43 H new ATOM 0 HA ASN A 25 0.568 1.251 -8.943 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.508 1.500 -8.565 1.00 16.78 H new ATOM 0 HB3 ASN A 25 2.878 -0.021 -9.165 1.00 16.78 H new ATOM 0 HD21 ASN A 25 2.915 3.389 -11.419 1.00 24.70 H new ATOM 0 HD22 ASN A 25 3.348 3.369 -9.707 1.00 24.70 H new ATOM 401 N VAL A 26 1.616 0.167 -6.034 1.00 6.52 N ATOM 402 CA VAL A 26 1.252 -0.805 -5.018 1.00 5.53 C ATOM 403 C VAL A 26 -0.274 -0.923 -4.793 1.00 4.42 C ATOM 404 O VAL A 26 -0.829 -1.998 -4.818 1.00 3.40 O ATOM 405 CB VAL A 26 1.923 -0.520 -3.661 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.411 -1.556 -2.623 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.441 -0.583 -3.743 1.00 8.12 C ATOM 0 H VAL A 26 2.174 0.946 -5.683 1.00 6.52 H new ATOM 0 HA VAL A 26 1.617 -1.752 -5.416 1.00 5.53 H new ATOM 0 HB VAL A 26 1.659 0.493 -3.359 1.00 3.86 H new ATOM 0 HG11 VAL A 26 1.879 -1.365 -1.657 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.329 -1.469 -2.526 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.666 -2.562 -2.957 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.867 -0.375 -2.762 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.747 -1.577 -4.068 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.798 0.158 -4.458 1.00 8.12 H new ATOM 417 N LYS A 27 -1.027 0.189 -4.702 1.00 2.64 N ATOM 418 CA LYS A 27 -2.454 0.187 -4.571 1.00 4.14 C ATOM 419 C LYS A 27 -3.171 -0.347 -5.883 1.00 5.58 C ATOM 420 O LYS A 27 -4.219 -1.001 -5.784 1.00 4.11 O ATOM 421 CB LYS A 27 -3.014 1.541 -4.113 1.00 3.97 C ATOM 422 CG LYS A 27 -2.465 1.901 -2.674 1.00 7.45 C ATOM 423 CD LYS A 27 -3.207 3.095 -2.148 1.00 9.02 C ATOM 424 CE LYS A 27 -3.094 4.418 -3.002 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.932 5.461 -2.521 1.00 15.47 N ATOM 0 H LYS A 27 -0.627 1.127 -4.720 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.685 -0.518 -3.773 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.732 2.318 -4.823 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.103 1.505 -4.096 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.592 1.053 -2.001 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.397 2.113 -2.722 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -4.261 2.832 -2.061 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -2.847 3.306 -1.141 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -2.059 4.760 -2.998 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -3.353 4.199 -4.038 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.376 6.334 -2.418 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -4.708 5.622 -3.195 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.327 5.191 -1.597 1.00 15.47 H new ATOM 439 N ALA A 28 -2.566 -0.045 -7.081 1.00 6.61 N ATOM 440 CA ALA A 28 -2.953 -0.673 -8.311 1.00 7.74 C ATOM 441 C ALA A 28 -2.751 -2.232 -8.370 1.00 9.17 C ATOM 442 O ALA A 28 -3.521 -2.951 -9.019 1.00 11.45 O ATOM 443 CB ALA A 28 -2.089 -0.076 -9.451 1.00 7.68 C ATOM 0 H ALA A 28 -1.812 0.635 -7.178 1.00 6.61 H new ATOM 0 HA ALA A 28 -4.022 -0.485 -8.406 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.366 -0.539 -10.398 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.257 0.999 -9.510 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.035 -0.268 -9.248 1.00 7.68 H new ATOM 449 N LYS A 29 -1.666 -2.684 -7.720 1.00 8.96 N ATOM 450 CA LYS A 29 -1.458 -4.157 -7.595 1.00 7.90 C ATOM 451 C LYS A 29 -2.387 -4.769 -6.596 1.00 6.92 C ATOM 452 O LYS A 29 -2.890 -5.866 -6.820 1.00 6.87 O ATOM 453 CB LYS A 29 0.028 -4.462 -7.239 1.00 10.28 C ATOM 454 CG LYS A 29 0.538 -5.900 -7.447 1.00 14.94 C ATOM 455 CD LYS A 29 2.078 -6.013 -7.255 1.00 19.69 C ATOM 456 CE LYS A 29 3.003 -5.337 -8.204 1.00 22.63 C ATOM 457 NZ LYS A 29 2.763 -5.881 -9.520 1.00 24.98 N ATOM 0 H LYS A 29 -0.949 -2.099 -7.291 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.687 -4.610 -8.560 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.657 -3.795 -7.829 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.181 -4.201 -6.192 1.00 10.28 H new ATOM 0 HG2 LYS A 29 0.037 -6.566 -6.745 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.273 -6.236 -8.450 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.308 -5.638 -6.258 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.327 -7.074 -7.262 1.00 19.69 H new ATOM 0 HE2 LYS A 29 2.834 -4.260 -8.200 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.039 -5.499 -7.907 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 3.465 -5.500 -10.186 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 2.843 -6.917 -9.487 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 1.808 -5.618 -9.836 1.00 24.98 H new ATOM 471 N ILE A 30 -2.756 -4.132 -5.468 1.00 4.57 N ATOM 472 CA ILE A 30 -3.812 -4.548 -4.661 1.00 5.58 C ATOM 473 C ILE A 30 -5.178 -4.511 -5.354 1.00 7.26 C ATOM 474 O ILE A 30 -5.987 -5.411 -5.126 1.00 9.46 O ATOM 475 CB ILE A 30 -3.740 -3.873 -3.306 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.473 -4.128 -2.495 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.932 -4.332 -2.456 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.503 -3.355 -1.164 1.00 2.00 C ATOM 0 H ILE A 30 -2.285 -3.295 -5.123 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.693 -5.614 -4.470 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.747 -2.806 -3.530 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.373 -5.195 -2.297 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.600 -3.828 -3.074 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.889 -3.851 -1.479 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.862 -4.057 -2.955 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.894 -5.414 -2.330 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.588 -3.555 -0.606 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.579 -2.286 -1.365 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.363 -3.675 -0.576 1.00 2.00 H new ATOM 490 N GLN A 31 -5.412 -3.560 -6.282 1.00 7.06 N ATOM 491 CA GLN A 31 -6.575 -3.592 -7.092 1.00 8.67 C ATOM 492 C GLN A 31 -6.784 -4.882 -7.917 1.00 10.90 C ATOM 493 O GLN A 31 -7.869 -5.417 -7.884 1.00 9.63 O ATOM 494 CB GLN A 31 -6.543 -2.428 -8.144 1.00 9.12 C ATOM 495 CG GLN A 31 -7.852 -2.286 -8.967 1.00 10.76 C ATOM 496 CD GLN A 31 -7.861 -0.899 -9.713 1.00 13.78 C ATOM 497 OE1 GLN A 31 -6.838 -0.444 -10.214 1.00 14.48 O ATOM 498 NE2 GLN A 31 -9.101 -0.335 -9.810 1.00 14.76 N ATOM 0 H GLN A 31 -4.790 -2.773 -6.464 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.384 -3.511 -6.366 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.348 -1.489 -7.626 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.711 -2.593 -8.829 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -7.929 -3.099 -9.689 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.717 -2.361 -8.308 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -9.901 -0.781 -9.361 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -9.227 0.533 -10.331 1.00 14.76 H new ATOM 507 N ASP A 32 -5.673 -5.392 -8.541 1.00 10.93 N ATOM 508 CA ASP A 32 -5.615 -6.643 -9.226 1.00 14.01 C ATOM 509 C ASP A 32 -5.884 -7.839 -8.262 1.00 14.04 C ATOM 510 O ASP A 32 -6.692 -8.706 -8.564 1.00 13.39 O ATOM 511 CB ASP A 32 -4.220 -6.770 -9.998 1.00 18.01 C ATOM 512 CG ASP A 32 -4.430 -7.690 -11.179 1.00 24.33 C ATOM 513 OD1 ASP A 32 -5.459 -7.491 -11.960 1.00 25.17 O ATOM 514 OD2 ASP A 32 -3.572 -8.562 -11.482 1.00 26.29 O ATOM 0 H ASP A 32 -4.784 -4.893 -8.557 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.411 -6.679 -9.969 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.877 -5.791 -10.332 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.451 -7.168 -9.336 1.00 18.01 H new ATOM 519 N LYS A 33 -5.262 -7.845 -7.039 1.00 14.22 N ATOM 520 CA LYS A 33 -5.539 -8.861 -5.992 1.00 14.00 C ATOM 521 C LYS A 33 -6.910 -8.881 -5.391 1.00 12.37 C ATOM 522 O LYS A 33 -7.535 -9.950 -5.181 1.00 12.17 O ATOM 523 CB LYS A 33 -4.568 -8.756 -4.807 1.00 18.62 C ATOM 524 CG LYS A 33 -3.069 -9.116 -5.076 1.00 24.00 C ATOM 525 CD LYS A 33 -2.884 -10.618 -5.308 1.00 27.61 C ATOM 526 CE LYS A 33 -1.410 -10.981 -5.117 1.00 27.64 C ATOM 527 NZ LYS A 33 -1.054 -12.404 -5.461 1.00 30.06 N ATOM 0 H LYS A 33 -4.566 -7.152 -6.764 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.419 -9.776 -6.572 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.607 -7.735 -4.428 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.934 -9.406 -4.012 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.713 -8.566 -5.947 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.460 -8.800 -4.229 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -3.503 -11.184 -4.612 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -3.209 -10.885 -6.314 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.805 -10.313 -5.730 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -1.137 -10.795 -4.078 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -0.038 -12.556 -5.301 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -1.600 -13.054 -4.860 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -1.278 -12.586 -6.460 1.00 30.06 H new ATOM 541 N GLU A 34 -7.509 -7.679 -5.085 1.00 10.11 N ATOM 542 CA GLU A 34 -8.644 -7.579 -4.181 1.00 10.07 C ATOM 543 C GLU A 34 -9.874 -7.012 -4.826 1.00 9.32 C ATOM 544 O GLU A 34 -10.964 -7.172 -4.312 1.00 11.61 O ATOM 545 CB GLU A 34 -8.130 -6.748 -2.955 1.00 14.77 C ATOM 546 CG GLU A 34 -7.231 -7.622 -2.075 1.00 18.75 C ATOM 547 CD GLU A 34 -7.929 -8.685 -1.203 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.687 -8.375 -0.253 1.00 21.95 O ATOM 549 OE2 GLU A 34 -7.671 -9.880 -1.484 1.00 25.19 O ATOM 0 H GLU A 34 -7.202 -6.784 -5.466 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.983 -8.565 -3.864 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.577 -5.875 -3.302 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.975 -6.379 -2.374 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.515 -8.130 -2.721 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.659 -6.967 -1.418 1.00 18.75 H new ATOM 556 N GLY A 35 -9.722 -6.288 -5.898 1.00 7.22 N ATOM 557 CA GLY A 35 -10.948 -5.778 -6.622 1.00 6.29 C ATOM 558 C GLY A 35 -11.257 -4.318 -6.311 1.00 6.93 C ATOM 559 O GLY A 35 -12.142 -3.680 -6.869 1.00 7.41 O ATOM 0 H GLY A 35 -8.826 -6.024 -6.308 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.803 -5.892 -7.696 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.806 -6.392 -6.349 1.00 6.29 H new ATOM 563 N ILE A 36 -10.476 -3.747 -5.365 1.00 5.86 N ATOM 564 CA ILE A 36 -10.883 -2.578 -4.678 1.00 6.07 C ATOM 565 C ILE A 36 -10.268 -1.357 -5.461 1.00 6.36 C ATOM 566 O ILE A 36 -9.060 -1.329 -5.763 1.00 6.18 O ATOM 567 CB ILE A 36 -10.377 -2.545 -3.234 1.00 7.47 C ATOM 568 CG1 ILE A 36 -10.575 -3.842 -2.415 1.00 8.52 C ATOM 569 CG2 ILE A 36 -11.021 -1.398 -2.396 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.764 -3.907 -1.124 1.00 9.49 C ATOM 0 H ILE A 36 -9.563 -4.106 -5.085 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.972 -2.546 -4.636 1.00 6.07 H new ATOM 0 HB ILE A 36 -9.308 -2.392 -3.385 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -11.632 -3.944 -2.170 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -10.309 -4.695 -3.039 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -10.625 -1.423 -1.381 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -10.786 -0.437 -2.854 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -12.102 -1.531 -2.367 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.965 -4.850 -0.615 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.702 -3.840 -1.358 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -10.046 -3.078 -0.475 1.00 9.49 H new ATOM 582 N PRO A 37 -10.984 -0.290 -5.806 1.00 8.65 N ATOM 583 CA PRO A 37 -10.386 0.864 -6.399 1.00 9.18 C ATOM 584 C PRO A 37 -9.195 1.457 -5.586 1.00 9.85 C ATOM 585 O PRO A 37 -9.369 1.703 -4.361 1.00 8.51 O ATOM 586 CB PRO A 37 -11.512 1.914 -6.331 1.00 11.42 C ATOM 587 CG PRO A 37 -12.824 1.064 -6.371 1.00 9.27 C ATOM 588 CD PRO A 37 -12.393 -0.056 -5.501 1.00 8.33 C ATOM 0 HA PRO A 37 -9.998 0.609 -7.385 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.449 2.508 -5.420 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.461 2.609 -7.169 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.686 1.600 -5.974 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -13.086 0.740 -7.378 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.527 0.195 -4.449 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.987 -0.950 -5.694 1.00 8.33 H new ATOM 596 N PRO A 38 -8.030 1.782 -6.100 1.00 8.71 N ATOM 597 CA PRO A 38 -7.012 2.571 -5.469 1.00 9.08 C ATOM 598 C PRO A 38 -7.486 3.917 -4.913 1.00 9.28 C ATOM 599 O PRO A 38 -6.885 4.278 -3.902 1.00 6.50 O ATOM 600 CB PRO A 38 -5.912 2.762 -6.531 1.00 10.31 C ATOM 601 CG PRO A 38 -6.111 1.483 -7.384 1.00 10.81 C ATOM 602 CD PRO A 38 -7.576 1.175 -7.349 1.00 12.00 C ATOM 0 HA PRO A 38 -6.658 2.047 -4.581 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.052 3.673 -7.113 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -4.916 2.815 -6.091 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.772 1.642 -8.408 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.530 0.653 -6.981 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.094 1.597 -8.210 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.759 0.101 -7.361 1.00 12.00 H new ATOM 610 N ASP A 39 -8.489 4.518 -5.501 1.00 11.20 N ATOM 611 CA ASP A 39 -9.042 5.783 -5.036 1.00 14.96 C ATOM 612 C ASP A 39 -9.540 5.539 -3.586 1.00 13.99 C ATOM 613 O ASP A 39 -9.227 6.246 -2.669 1.00 13.75 O ATOM 614 CB ASP A 39 -10.202 6.217 -5.994 1.00 24.16 C ATOM 615 CG ASP A 39 -10.807 7.506 -5.532 1.00 31.06 C ATOM 616 OD1 ASP A 39 -10.092 8.535 -5.528 1.00 34.22 O ATOM 617 OD2 ASP A 39 -12.005 7.569 -5.202 1.00 35.55 O ATOM 0 H ASP A 39 -8.957 4.145 -6.327 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.308 6.589 -5.039 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -9.821 6.330 -7.009 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.966 5.440 -6.025 1.00 24.16 H new ATOM 622 N GLN A 40 -10.297 4.450 -3.344 1.00 11.60 N ATOM 623 CA GLN A 40 -10.838 4.013 -2.093 1.00 10.76 C ATOM 624 C GLN A 40 -9.775 3.552 -1.120 1.00 8.01 C ATOM 625 O GLN A 40 -9.943 3.702 0.068 1.00 8.96 O ATOM 626 CB GLN A 40 -12.002 2.943 -2.292 1.00 11.14 C ATOM 627 CG GLN A 40 -12.805 2.609 -0.981 1.00 14.85 C ATOM 628 CD GLN A 40 -13.777 1.423 -1.177 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.984 0.859 -2.252 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.375 0.998 -0.065 1.00 18.16 N ATOM 0 H GLN A 40 -10.553 3.816 -4.101 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.294 4.887 -1.629 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -12.697 3.315 -3.045 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.570 2.022 -2.684 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -12.106 2.374 -0.179 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -13.367 3.489 -0.667 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.198 1.470 0.822 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.009 0.200 -0.100 1.00 18.16 H new ATOM 639 N GLN A 41 -8.733 2.931 -1.637 1.00 6.52 N ATOM 640 CA GLN A 41 -7.596 2.437 -0.846 1.00 3.87 C ATOM 641 C GLN A 41 -6.697 3.503 -0.194 1.00 4.79 C ATOM 642 O GLN A 41 -6.207 4.400 -0.876 1.00 6.34 O ATOM 643 CB GLN A 41 -6.619 1.543 -1.640 1.00 4.20 C ATOM 644 CG GLN A 41 -7.254 0.290 -2.236 1.00 3.20 C ATOM 645 CD GLN A 41 -6.150 -0.412 -3.069 1.00 4.89 C ATOM 646 OE1 GLN A 41 -5.031 -0.543 -2.603 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.452 -0.700 -4.324 1.00 7.13 N ATOM 0 H GLN A 41 -8.640 2.747 -2.636 1.00 6.52 H new ATOM 0 HA GLN A 41 -8.139 1.887 -0.077 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.180 2.132 -2.446 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.803 1.244 -0.982 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.624 -0.368 -1.450 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -8.107 0.549 -2.863 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.406 -0.571 -4.661 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.731 -1.051 -4.954 1.00 7.13 H new ATOM 656 N ARG A 42 -6.571 3.335 1.148 1.00 5.73 N ATOM 657 CA ARG A 42 -5.681 4.102 2.083 1.00 6.97 C ATOM 658 C ARG A 42 -4.595 3.147 2.579 1.00 7.15 C ATOM 659 O ARG A 42 -4.901 2.025 2.929 1.00 7.33 O ATOM 660 CB ARG A 42 -6.480 4.681 3.299 1.00 13.23 C ATOM 661 CG ARG A 42 -7.284 5.972 2.895 1.00 21.27 C ATOM 662 CD ARG A 42 -7.990 6.576 4.048 1.00 26.14 C ATOM 663 NE ARG A 42 -8.412 7.894 3.441 1.00 32.26 N ATOM 664 CZ ARG A 42 -8.900 8.906 4.205 1.00 34.32 C ATOM 665 NH1 ARG A 42 -9.571 8.723 5.309 1.00 35.30 N ATOM 666 NH2 ARG A 42 -8.913 10.135 3.739 1.00 36.39 N ATOM 0 H ARG A 42 -7.113 2.625 1.641 1.00 5.73 H new ATOM 0 HA ARG A 42 -5.246 4.950 1.553 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -7.168 3.925 3.677 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.791 4.918 4.109 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -6.600 6.704 2.466 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -8.008 5.719 2.120 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -8.840 5.977 4.375 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -7.339 6.706 4.913 1.00 26.14 H new ATOM 0 HE ARG A 42 -8.328 8.027 2.433 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -9.755 7.777 5.643 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -9.911 9.526 5.838 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -8.557 10.329 2.803 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -9.280 10.894 4.313 1.00 36.39 H new ATOM 680 N LEU A 43 -3.304 3.529 2.547 1.00 4.65 N ATOM 681 CA LEU A 43 -2.215 2.580 2.681 1.00 3.51 C ATOM 682 C LEU A 43 -1.180 3.201 3.688 1.00 5.56 C ATOM 683 O LEU A 43 -0.775 4.360 3.625 1.00 4.19 O ATOM 684 CB LEU A 43 -1.460 2.325 1.341 1.00 3.74 C ATOM 685 CG LEU A 43 -0.494 1.216 1.405 1.00 6.32 C ATOM 686 CD1 LEU A 43 -1.264 -0.105 1.524 1.00 9.55 C ATOM 687 CD2 LEU A 43 0.327 1.150 0.074 1.00 6.41 C ATOM 0 H LEU A 43 -3.003 4.496 2.428 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.635 1.631 3.014 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -2.189 2.115 0.558 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.935 3.235 1.052 1.00 3.74 H new ATOM 0 HG LEU A 43 0.168 1.373 2.257 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.558 -0.934 1.572 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -1.871 -0.092 2.429 1.00 9.55 H new ATOM 0 HD13 LEU A 43 -1.911 -0.229 0.655 1.00 9.55 H new ATOM 0 HD21 LEU A 43 1.040 0.328 0.127 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -0.351 0.989 -0.764 1.00 6.41 H new ATOM 0 HD23 LEU A 43 0.864 2.088 -0.069 1.00 6.41 H new ATOM 699 N ILE A 44 -0.859 2.456 4.769 1.00 4.58 N ATOM 700 CA ILE A 44 -0.080 2.829 5.930 1.00 5.55 C ATOM 701 C ILE A 44 1.250 2.070 6.040 1.00 5.46 C ATOM 702 O ILE A 44 1.365 0.910 5.830 1.00 6.04 O ATOM 703 CB ILE A 44 -0.921 2.695 7.138 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.138 3.635 7.044 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.126 2.835 8.546 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.163 3.392 8.118 1.00 13.90 C ATOM 0 H ILE A 44 -1.178 1.490 4.839 1.00 4.58 H new ATOM 0 HA ILE A 44 0.218 3.872 5.823 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.273 1.664 7.152 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -1.796 4.668 7.105 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -2.608 3.512 6.068 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -0.827 2.722 9.373 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.639 2.061 8.611 1.00 7.39 H new ATOM 0 HG23 ILE A 44 0.346 3.816 8.602 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.993 4.088 7.993 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -3.532 2.369 8.044 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.707 3.543 9.097 1.00 13.90 H new ATOM 718 N PHE A 45 2.294 2.802 6.454 1.00 6.75 N ATOM 719 CA PHE A 45 3.569 2.301 6.792 1.00 4.70 C ATOM 720 C PHE A 45 4.092 3.074 8.050 1.00 6.34 C ATOM 721 O PHE A 45 4.107 4.322 8.071 1.00 5.45 O ATOM 722 CB PHE A 45 4.506 2.477 5.622 1.00 5.51 C ATOM 723 CG PHE A 45 5.861 1.749 5.821 1.00 5.98 C ATOM 724 CD1 PHE A 45 6.050 0.392 5.926 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.950 2.573 6.124 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.261 -0.116 6.424 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.152 2.076 6.474 1.00 6.64 C ATOM 728 CZ PHE A 45 8.332 0.682 6.704 1.00 6.84 C ATOM 0 H PHE A 45 2.234 3.815 6.557 1.00 6.75 H new ATOM 0 HA PHE A 45 3.513 1.238 7.025 1.00 4.70 H new ATOM 0 HB2 PHE A 45 4.026 2.101 4.719 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.690 3.540 5.466 1.00 5.51 H new ATOM 0 HD1 PHE A 45 5.265 -0.286 5.625 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.823 3.644 6.076 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.348 -1.179 6.592 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.993 2.745 6.582 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.262 0.280 7.078 1.00 6.84 H new ATOM 738 N ALA A 46 4.590 2.352 9.044 1.00 6.53 N ATOM 739 CA ALA A 46 5.124 2.829 10.314 1.00 7.15 C ATOM 740 C ALA A 46 4.271 3.848 11.033 1.00 9.00 C ATOM 741 O ALA A 46 4.742 4.847 11.526 1.00 11.15 O ATOM 742 CB ALA A 46 6.482 3.387 10.095 1.00 8.99 C ATOM 0 H ALA A 46 4.635 1.335 8.979 1.00 6.53 H new ATOM 0 HA ALA A 46 5.143 1.957 10.968 1.00 7.15 H new ATOM 0 HB1 ALA A 46 6.885 3.745 11.042 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.134 2.611 9.693 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.426 4.215 9.389 1.00 8.99 H new ATOM 748 N GLY A 47 2.955 3.579 11.068 1.00 9.35 N ATOM 749 CA GLY A 47 1.911 4.451 11.626 1.00 11.68 C ATOM 750 C GLY A 47 1.538 5.569 10.774 1.00 11.14 C ATOM 751 O GLY A 47 0.525 6.301 11.051 1.00 13.93 O ATOM 0 H GLY A 47 2.575 2.710 10.692 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.023 3.851 11.826 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.255 4.840 12.584 1.00 11.68 H new ATOM 755 N LYS A 48 2.238 5.834 9.664 1.00 10.47 N ATOM 756 CA LYS A 48 2.028 6.976 8.824 1.00 8.82 C ATOM 757 C LYS A 48 1.362 6.545 7.571 1.00 7.68 C ATOM 758 O LYS A 48 1.618 5.451 7.033 1.00 6.47 O ATOM 759 CB LYS A 48 3.296 7.767 8.600 1.00 9.74 C ATOM 760 CG LYS A 48 3.867 8.535 9.842 1.00 14.14 C ATOM 761 CD LYS A 48 5.105 9.210 9.244 1.00 16.32 C ATOM 762 CE LYS A 48 6.134 9.837 10.192 1.00 20.04 C ATOM 763 NZ LYS A 48 7.378 10.386 9.516 1.00 23.92 N ATOM 0 H LYS A 48 2.987 5.227 9.332 1.00 10.47 H new ATOM 0 HA LYS A 48 1.362 7.676 9.329 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.065 7.085 8.237 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.112 8.491 7.806 1.00 9.74 H new ATOM 0 HG2 LYS A 48 3.156 9.260 10.238 1.00 14.14 H new ATOM 0 HG3 LYS A 48 4.123 7.860 10.659 1.00 14.14 H new ATOM 0 HD2 LYS A 48 5.624 8.469 8.637 1.00 16.32 H new ATOM 0 HD3 LYS A 48 4.760 9.992 8.567 1.00 16.32 H new ATOM 0 HE2 LYS A 48 5.653 10.644 10.744 1.00 20.04 H new ATOM 0 HE3 LYS A 48 6.437 9.087 10.923 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 8.014 10.789 10.234 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 7.866 9.619 9.012 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 7.107 11.127 8.839 1.00 23.92 H new ATOM 777 N GLN A 49 0.466 7.397 7.096 1.00 8.89 N ATOM 778 CA GLN A 49 -0.410 7.132 5.938 1.00 7.18 C ATOM 779 C GLN A 49 0.172 7.761 4.677 1.00 8.23 C ATOM 780 O GLN A 49 0.695 8.856 4.690 1.00 9.70 O ATOM 781 CB GLN A 49 -1.855 7.637 6.188 1.00 11.67 C ATOM 782 CG GLN A 49 -2.952 7.090 5.277 1.00 15.82 C ATOM 783 CD GLN A 49 -4.428 7.292 5.736 1.00 20.21 C ATOM 784 OE1 GLN A 49 -5.253 6.424 6.104 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.786 8.627 5.813 1.00 20.67 N ATOM 0 H GLN A 49 0.315 8.318 7.507 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.461 6.052 5.798 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -2.122 7.401 7.218 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.853 8.723 6.100 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.837 7.551 4.296 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.782 6.021 5.148 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -4.129 9.349 5.518 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -5.707 8.889 6.164 1.00 20.67 H new ATOM 794 N LEU A 50 0.105 7.113 3.466 1.00 6.51 N ATOM 795 CA LEU A 50 1.114 7.466 2.470 1.00 7.41 C ATOM 796 C LEU A 50 0.490 8.281 1.351 1.00 8.27 C ATOM 797 O LEU A 50 -0.677 8.582 1.304 1.00 8.34 O ATOM 798 CB LEU A 50 1.721 6.203 1.862 1.00 7.13 C ATOM 799 CG LEU A 50 2.199 5.292 2.992 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.655 3.907 2.548 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.326 5.857 3.801 1.00 9.11 C ATOM 0 H LEU A 50 -0.581 6.409 3.193 1.00 6.51 H new ATOM 0 HA LEU A 50 1.888 8.050 2.968 1.00 7.41 H new ATOM 0 HB2 LEU A 50 0.982 5.687 1.248 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.554 6.462 1.208 1.00 7.13 H new ATOM 0 HG LEU A 50 1.293 5.213 3.593 1.00 7.53 H new ATOM 0 HD11 LEU A 50 2.976 3.333 3.418 1.00 8.14 H new ATOM 0 HD12 LEU A 50 1.829 3.392 2.058 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.487 4.004 1.850 1.00 8.14 H new ATOM 0 HD21 LEU A 50 3.605 5.149 4.581 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.183 6.039 3.153 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.011 6.795 4.258 1.00 9.11 H new ATOM 813 N GLU A 51 1.355 8.770 0.373 1.00 9.43 N ATOM 814 CA GLU A 51 0.903 9.567 -0.747 1.00 11.90 C ATOM 815 C GLU A 51 1.155 8.889 -2.054 1.00 11.49 C ATOM 816 O GLU A 51 2.099 8.095 -2.145 1.00 9.88 O ATOM 817 CB GLU A 51 1.669 10.928 -0.781 1.00 16.56 C ATOM 818 CG GLU A 51 1.249 11.983 0.271 1.00 26.06 C ATOM 819 CD GLU A 51 -0.162 12.571 -0.016 1.00 29.86 C ATOM 820 OE1 GLU A 51 -0.185 13.570 -0.808 1.00 33.44 O ATOM 821 OE2 GLU A 51 -1.188 12.200 0.636 1.00 32.13 O ATOM 0 H GLU A 51 2.361 8.601 0.379 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.169 9.714 -0.612 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.732 10.724 -0.654 1.00 16.56 H new ATOM 0 HB3 GLU A 51 1.544 11.365 -1.772 1.00 16.56 H new ATOM 0 HG2 GLU A 51 1.256 11.528 1.262 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.981 12.790 0.285 1.00 26.06 H new ATOM 828 N ASP A 52 0.275 9.102 -3.025 1.00 12.71 N ATOM 829 CA ASP A 52 0.109 8.151 -4.115 1.00 16.56 C ATOM 830 C ASP A 52 1.337 8.287 -5.034 1.00 15.83 C ATOM 831 O ASP A 52 1.890 7.275 -5.477 1.00 17.21 O ATOM 832 CB ASP A 52 -1.084 8.465 -5.035 1.00 21.05 C ATOM 833 CG ASP A 52 -2.444 8.271 -4.352 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.526 7.685 -3.253 1.00 28.37 O ATOM 835 OD2 ASP A 52 -3.478 8.696 -4.951 1.00 25.82 O ATOM 0 H ASP A 52 -0.331 9.921 -3.079 1.00 12.71 H new ATOM 0 HA ASP A 52 -0.032 7.173 -3.654 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -1.004 9.495 -5.384 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.033 7.825 -5.916 1.00 21.05 H new ATOM 840 N GLY A 53 1.855 9.492 -5.342 1.00 15.00 N ATOM 841 CA GLY A 53 2.909 9.599 -6.355 1.00 11.77 C ATOM 842 C GLY A 53 4.323 9.531 -5.887 1.00 11.10 C ATOM 843 O GLY A 53 5.248 10.075 -6.467 1.00 11.25 O ATOM 0 H GLY A 53 1.569 10.374 -4.917 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.757 8.803 -7.084 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.774 10.543 -6.882 1.00 11.77 H new ATOM 847 N ARG A 54 4.585 8.844 -4.726 1.00 8.53 N ATOM 848 CA ARG A 54 5.930 8.752 -4.109 1.00 9.05 C ATOM 849 C ARG A 54 6.333 7.243 -4.028 1.00 8.96 C ATOM 850 O ARG A 54 5.541 6.328 -4.154 1.00 11.60 O ATOM 851 CB ARG A 54 5.895 9.309 -2.680 1.00 7.97 C ATOM 852 CG ARG A 54 5.600 10.826 -2.655 1.00 9.62 C ATOM 853 CD ARG A 54 5.858 11.456 -1.287 1.00 12.20 C ATOM 854 NE ARG A 54 5.263 12.796 -1.386 1.00 18.23 N ATOM 855 CZ ARG A 54 5.558 13.824 -0.546 1.00 22.08 C ATOM 856 NH1 ARG A 54 6.447 13.672 0.376 1.00 25.50 N ATOM 857 NH2 ARG A 54 4.888 15.002 -0.671 1.00 23.38 N ATOM 0 H ARG A 54 3.865 8.345 -4.204 1.00 8.53 H new ATOM 0 HA ARG A 54 6.640 9.322 -4.708 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.134 8.782 -2.105 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.851 9.118 -2.193 1.00 7.97 H new ATOM 0 HG2 ARG A 54 6.218 11.324 -3.402 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.561 10.994 -2.937 1.00 9.62 H new ATOM 0 HD2 ARG A 54 5.398 10.875 -0.488 1.00 12.20 H new ATOM 0 HD3 ARG A 54 6.925 11.510 -1.069 1.00 12.20 H new ATOM 0 HE ARG A 54 4.587 12.966 -2.131 1.00 18.23 H new ATOM 0 HH11 ARG A 54 6.930 12.779 0.476 1.00 25.50 H new ATOM 0 HH12 ARG A 54 6.667 14.444 1.005 1.00 25.50 H new ATOM 0 HH21 ARG A 54 4.172 15.108 -1.390 1.00 23.38 H new ATOM 0 HH22 ARG A 54 5.102 15.779 -0.046 1.00 23.38 H new ATOM 871 N THR A 55 7.676 6.997 -3.945 1.00 9.05 N ATOM 872 CA THR A 55 8.207 5.619 -4.020 1.00 9.03 C ATOM 873 C THR A 55 8.324 4.904 -2.707 1.00 8.15 C ATOM 874 O THR A 55 8.253 5.546 -1.658 1.00 5.91 O ATOM 875 CB THR A 55 9.568 5.533 -4.752 1.00 11.15 C ATOM 876 OG1 THR A 55 10.365 6.663 -4.403 1.00 11.95 O ATOM 877 CG2 THR A 55 9.327 5.412 -6.252 1.00 11.71 C ATOM 0 H THR A 55 8.385 7.721 -3.829 1.00 9.05 H new ATOM 0 HA THR A 55 7.440 5.107 -4.601 1.00 9.03 H new ATOM 0 HB THR A 55 10.121 4.645 -4.444 1.00 11.15 H new ATOM 0 HG1 THR A 55 11.228 6.610 -4.864 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.284 5.351 -6.771 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.746 4.513 -6.456 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.778 6.286 -6.604 1.00 11.71 H new ATOM 885 N LEU A 56 8.438 3.561 -2.693 1.00 6.91 N ATOM 886 CA LEU A 56 8.609 2.672 -1.484 1.00 8.29 C ATOM 887 C LEU A 56 9.846 3.035 -0.729 1.00 8.05 C ATOM 888 O LEU A 56 9.834 3.150 0.479 1.00 10.17 O ATOM 889 CB LEU A 56 8.615 1.234 -2.011 1.00 6.60 C ATOM 890 CG LEU A 56 7.234 0.743 -2.437 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.385 -0.597 -3.131 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.335 0.606 -1.186 1.00 8.64 C ATOM 0 H LEU A 56 8.414 3.022 -3.558 1.00 6.91 H new ATOM 0 HA LEU A 56 7.800 2.793 -0.764 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.295 1.168 -2.861 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.006 0.572 -1.238 1.00 6.60 H new ATOM 0 HG LEU A 56 6.773 1.452 -3.124 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.405 -0.959 -3.441 1.00 9.85 H new ATOM 0 HD12 LEU A 56 8.023 -0.483 -4.007 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.836 -1.313 -2.445 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.347 0.256 -1.485 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.780 -0.109 -0.495 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.243 1.575 -0.696 1.00 8.64 H new ATOM 904 N SER A 57 10.932 3.227 -1.484 1.00 8.92 N ATOM 905 CA SER A 57 12.234 3.575 -0.918 1.00 9.00 C ATOM 906 C SER A 57 12.262 4.892 -0.159 1.00 9.44 C ATOM 907 O SER A 57 13.051 4.977 0.820 1.00 10.91 O ATOM 908 CB SER A 57 13.376 3.689 -1.953 1.00 10.32 C ATOM 909 OG SER A 57 13.227 4.804 -2.846 1.00 13.59 O ATOM 0 H SER A 57 10.931 3.145 -2.501 1.00 8.92 H new ATOM 0 HA SER A 57 12.394 2.731 -0.247 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.326 3.779 -1.426 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.421 2.769 -2.536 1.00 10.32 H new ATOM 0 HG SER A 57 13.979 4.823 -3.474 1.00 13.59 H new ATOM 915 N ASP A 58 11.519 5.936 -0.646 1.00 9.11 N ATOM 916 CA ASP A 58 11.401 7.235 -0.063 1.00 7.91 C ATOM 917 C ASP A 58 10.582 7.303 1.250 1.00 9.12 C ATOM 918 O ASP A 58 10.714 8.240 2.020 1.00 8.61 O ATOM 919 CB ASP A 58 10.743 8.142 -1.113 1.00 8.41 C ATOM 920 CG ASP A 58 10.743 9.654 -0.769 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.811 10.065 -0.242 1.00 11.70 O ATOM 922 OD2 ASP A 58 9.749 10.385 -0.884 1.00 10.05 O ATOM 0 H ASP A 58 10.973 5.848 -1.503 1.00 9.11 H new ATOM 0 HA ASP A 58 12.406 7.551 0.218 1.00 7.91 H new ATOM 0 HB2 ASP A 58 11.256 8.002 -2.064 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.712 7.818 -1.256 1.00 8.41 H new ATOM 927 N TYR A 59 9.832 6.221 1.556 1.00 7.97 N ATOM 928 CA TYR A 59 9.222 5.985 2.840 1.00 8.45 C ATOM 929 C TYR A 59 9.946 4.959 3.628 1.00 10.98 C ATOM 930 O TYR A 59 9.564 4.517 4.676 1.00 12.95 O ATOM 931 CB TYR A 59 7.806 5.427 2.587 1.00 7.94 C ATOM 932 CG TYR A 59 6.851 6.455 2.141 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.609 7.550 2.996 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.248 6.425 0.871 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.659 8.559 2.633 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.407 7.462 0.485 1.00 6.52 C ATOM 937 CZ TYR A 59 5.067 8.481 1.412 1.00 6.76 C ATOM 938 OH TYR A 59 4.017 9.362 1.010 1.00 7.63 O ATOM 0 H TYR A 59 9.642 5.479 0.882 1.00 7.97 H new ATOM 0 HA TYR A 59 9.228 6.924 3.393 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.861 4.640 1.835 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.434 4.967 3.503 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.144 7.629 3.931 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.437 5.601 0.199 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.419 9.363 3.313 1.00 5.39 H new ATOM 0 HE2 TYR A 59 5.013 7.492 -0.520 1.00 6.52 H new ATOM 0 HH TYR A 59 4.127 10.227 1.457 1.00 7.63 H new ATOM 948 N ASN A 60 11.181 4.572 3.236 1.00 12.38 N ATOM 949 CA ASN A 60 12.048 3.635 3.842 1.00 13.94 C ATOM 950 C ASN A 60 11.454 2.263 3.889 1.00 14.16 C ATOM 951 O ASN A 60 11.419 1.582 4.928 1.00 14.26 O ATOM 952 CB ASN A 60 12.507 4.084 5.225 1.00 19.23 C ATOM 953 CG ASN A 60 13.278 5.404 5.194 1.00 22.65 C ATOM 954 OD1 ASN A 60 13.606 5.985 4.180 1.00 25.45 O ATOM 955 ND2 ASN A 60 13.643 5.875 6.412 1.00 24.09 N ATOM 0 H ASN A 60 11.603 4.972 2.398 1.00 12.38 H new ATOM 0 HA ASN A 60 12.932 3.585 3.207 1.00 13.94 H new ATOM 0 HB2 ASN A 60 11.638 4.191 5.874 1.00 19.23 H new ATOM 0 HB3 ASN A 60 13.138 3.310 5.662 1.00 19.23 H new ATOM 0 HD21 ASN A 60 14.200 6.727 6.484 1.00 24.09 H new ATOM 0 HD22 ASN A 60 13.361 5.378 7.257 1.00 24.09 H new ATOM 962 N ILE A 61 10.913 1.806 2.780 1.00 11.08 N ATOM 963 CA ILE A 61 10.321 0.447 2.798 1.00 11.78 C ATOM 964 C ILE A 61 11.407 -0.427 2.244 1.00 13.74 C ATOM 965 O ILE A 61 12.262 -0.037 1.441 1.00 14.60 O ATOM 966 CB ILE A 61 8.976 0.528 2.040 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.082 1.504 2.854 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.349 -0.876 1.885 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.930 2.083 2.064 1.00 11.42 C ATOM 0 H ILE A 61 10.861 2.306 1.892 1.00 11.08 H new ATOM 0 HA ILE A 61 10.041 0.020 3.761 1.00 11.78 H new ATOM 0 HB ILE A 61 9.100 0.899 1.022 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.686 0.979 3.723 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.700 2.320 3.228 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.403 -0.795 1.349 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.029 -1.519 1.326 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.171 -1.306 2.871 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.353 2.754 2.701 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.317 2.638 1.209 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.288 1.276 1.712 1.00 11.42 H new ATOM 981 N GLN A 62 11.443 -1.658 2.744 1.00 13.97 N ATOM 982 CA GLN A 62 12.530 -2.568 2.540 1.00 15.52 C ATOM 983 C GLN A 62 11.919 -4.018 2.502 1.00 13.94 C ATOM 984 O GLN A 62 10.720 -4.291 2.619 1.00 12.15 O ATOM 985 CB GLN A 62 13.513 -2.545 3.786 1.00 19.53 C ATOM 986 CG GLN A 62 14.396 -1.247 3.920 1.00 26.38 C ATOM 987 CD GLN A 62 15.274 -1.246 5.214 1.00 30.61 C ATOM 988 OE1 GLN A 62 14.742 -1.044 6.296 1.00 33.23 O ATOM 989 NE2 GLN A 62 16.559 -1.548 5.040 1.00 32.71 N ATOM 0 H GLN A 62 10.691 -2.046 3.314 1.00 13.97 H new ATOM 0 HA GLN A 62 13.062 -2.294 1.629 1.00 15.52 H new ATOM 0 HB2 GLN A 62 12.924 -2.660 4.696 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.174 -3.410 3.723 1.00 19.53 H new ATOM 0 HG2 GLN A 62 15.043 -1.161 3.047 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.748 -0.370 3.925 1.00 26.38 H new ATOM 0 HE21 GLN A 62 16.924 -1.702 4.100 1.00 32.71 H new ATOM 0 HE22 GLN A 62 17.178 -1.626 5.847 1.00 32.71 H new ATOM 998 N LYS A 63 12.771 -5.067 2.296 1.00 11.73 N ATOM 999 CA LYS A 63 12.294 -6.405 2.095 1.00 11.97 C ATOM 1000 C LYS A 63 11.706 -6.915 3.428 1.00 10.41 C ATOM 1001 O LYS A 63 12.168 -6.654 4.524 1.00 9.59 O ATOM 1002 CB LYS A 63 13.400 -7.311 1.659 1.00 13.73 C ATOM 1003 CG LYS A 63 14.471 -7.616 2.767 1.00 16.98 C ATOM 1004 CD LYS A 63 15.815 -8.256 2.325 1.00 20.19 C ATOM 1005 CE LYS A 63 15.749 -9.707 1.821 1.00 23.42 C ATOM 1006 NZ LYS A 63 17.034 -10.262 1.219 1.00 25.97 N ATOM 0 H LYS A 63 13.787 -4.976 2.271 1.00 11.73 H new ATOM 0 HA LYS A 63 11.535 -6.401 1.313 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.968 -8.253 1.321 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.902 -6.864 0.801 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.699 -6.680 3.278 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.012 -8.277 3.502 1.00 16.98 H new ATOM 0 HD2 LYS A 63 16.243 -7.639 1.535 1.00 20.19 H new ATOM 0 HD3 LYS A 63 16.505 -8.218 3.168 1.00 20.19 H new ATOM 0 HE2 LYS A 63 15.454 -10.347 2.653 1.00 23.42 H new ATOM 0 HE3 LYS A 63 14.961 -9.775 1.071 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 16.878 -11.244 0.913 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 17.312 -9.684 0.400 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 17.790 -10.238 1.932 1.00 25.97 H new ATOM 1020 N GLU A 64 10.558 -7.591 3.323 1.00 10.04 N ATOM 1021 CA GLU A 64 9.844 -8.248 4.378 1.00 10.94 C ATOM 1022 C GLU A 64 9.329 -7.132 5.325 1.00 9.74 C ATOM 1023 O GLU A 64 9.414 -7.172 6.541 1.00 9.42 O ATOM 1024 CB GLU A 64 10.519 -9.365 5.088 1.00 18.31 C ATOM 1025 CG GLU A 64 11.039 -10.449 4.094 1.00 24.16 C ATOM 1026 CD GLU A 64 11.850 -11.661 4.690 1.00 29.00 C ATOM 1027 OE1 GLU A 64 12.152 -11.730 5.907 1.00 31.72 O ATOM 1028 OE2 GLU A 64 12.169 -12.505 3.848 1.00 32.61 O ATOM 0 H GLU A 64 10.084 -7.690 2.425 1.00 10.04 H new ATOM 0 HA GLU A 64 9.030 -8.807 3.916 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.354 -8.975 5.670 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.824 -9.821 5.793 1.00 18.31 H new ATOM 0 HG2 GLU A 64 10.180 -10.852 3.558 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.671 -9.953 3.357 1.00 24.16 H new ATOM 1035 N SER A 65 8.824 -6.038 4.701 1.00 6.85 N ATOM 1036 CA SER A 65 8.318 -4.892 5.447 1.00 6.90 C ATOM 1037 C SER A 65 6.839 -4.951 5.442 1.00 4.72 C ATOM 1038 O SER A 65 6.179 -5.326 4.487 1.00 3.91 O ATOM 1039 CB SER A 65 8.714 -3.479 4.939 1.00 7.28 C ATOM 1040 OG SER A 65 10.075 -3.176 5.255 1.00 10.56 O ATOM 0 H SER A 65 8.763 -5.940 3.688 1.00 6.85 H new ATOM 0 HA SER A 65 8.781 -4.990 6.429 1.00 6.90 H new ATOM 0 HB2 SER A 65 8.568 -3.424 3.860 1.00 7.28 H new ATOM 0 HB3 SER A 65 8.059 -2.732 5.388 1.00 7.28 H new ATOM 0 HG SER A 65 10.175 -2.209 5.378 1.00 10.56 H new ATOM 1046 N THR A 66 6.338 -4.587 6.635 1.00 4.48 N ATOM 1047 CA THR A 66 4.967 -4.695 7.012 1.00 3.80 C ATOM 1048 C THR A 66 4.293 -3.447 6.645 1.00 4.60 C ATOM 1049 O THR A 66 4.513 -2.373 7.179 1.00 5.33 O ATOM 1050 CB THR A 66 4.742 -4.942 8.518 1.00 2.85 C ATOM 1051 OG1 THR A 66 5.459 -6.128 8.864 1.00 2.15 O ATOM 1052 CG2 THR A 66 3.256 -5.283 8.797 1.00 3.40 C ATOM 0 H THR A 66 6.922 -4.197 7.374 1.00 4.48 H new ATOM 0 HA THR A 66 4.565 -5.563 6.490 1.00 3.80 H new ATOM 0 HB THR A 66 5.052 -4.055 9.070 1.00 2.85 H new ATOM 0 HG1 THR A 66 5.340 -6.316 9.818 1.00 2.15 H new ATOM 0 HG21 THR A 66 3.116 -5.454 9.864 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.626 -4.453 8.477 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.979 -6.182 8.246 1.00 3.40 H new ATOM 1060 N LEU A 67 3.314 -3.520 5.759 1.00 4.17 N ATOM 1061 CA LEU A 67 2.491 -2.355 5.457 1.00 3.85 C ATOM 1062 C LEU A 67 1.109 -2.743 5.778 1.00 3.80 C ATOM 1063 O LEU A 67 0.738 -3.860 6.124 1.00 5.54 O ATOM 1064 CB LEU A 67 2.458 -1.999 3.961 1.00 7.18 C ATOM 1065 CG LEU A 67 3.671 -1.531 3.106 1.00 9.67 C ATOM 1066 CD1 LEU A 67 4.869 -2.511 3.162 1.00 8.12 C ATOM 1067 CD2 LEU A 67 3.247 -1.192 1.676 1.00 11.66 C ATOM 0 H LEU A 67 3.069 -4.363 5.240 1.00 4.17 H new ATOM 0 HA LEU A 67 2.894 -1.509 6.014 1.00 3.85 H new ATOM 0 HB2 LEU A 67 2.065 -2.882 3.457 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.707 -1.215 3.861 1.00 7.18 H new ATOM 0 HG LEU A 67 4.038 -0.609 3.558 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.682 -2.128 2.545 1.00 8.12 H new ATOM 0 HD12 LEU A 67 5.211 -2.610 4.192 1.00 8.12 H new ATOM 0 HD13 LEU A 67 4.559 -3.487 2.788 1.00 8.12 H new ATOM 0 HD21 LEU A 67 4.118 -0.869 1.105 1.00 11.66 H new ATOM 0 HD22 LEU A 67 2.813 -2.075 1.206 1.00 11.66 H new ATOM 0 HD23 LEU A 67 2.508 -0.391 1.696 1.00 11.66 H new ATOM 1079 N HIS A 68 0.116 -1.793 5.633 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.226 -2.110 6.110 1.00 4.17 C ATOM 1081 C HIS A 68 -2.144 -1.317 5.198 1.00 5.32 C ATOM 1082 O HIS A 68 -1.832 -0.221 4.802 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.408 -1.693 7.610 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.234 -2.095 8.518 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.940 -1.382 8.507 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.133 -3.043 9.501 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.674 -1.950 9.474 1.00 14.75 C ATOM 1088 NE2 HIS A 68 1.090 -2.933 10.131 1.00 16.30 N ATOM 0 H HIS A 68 0.234 -0.870 5.215 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.437 -3.179 6.079 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.541 -0.612 7.662 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.322 -2.146 7.994 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -0.895 -3.768 9.746 1.00 12.79 H new ATOM 0 HE1 HIS A 68 2.678 -1.624 9.700 1.00 14.75 H new ATOM 0 HE2 HIS A 68 1.453 -3.478 10.913 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.247 -1.894 4.815 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.285 -1.446 3.919 1.00 3.97 C ATOM 1098 C LEU A 69 -5.472 -1.110 4.810 1.00 5.07 C ATOM 1099 O LEU A 69 -5.861 -1.884 5.656 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.763 -2.560 2.870 1.00 6.08 C ATOM 1101 CG LEU A 69 -6.094 -2.360 2.196 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -6.152 -1.173 1.220 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -6.513 -3.642 1.391 1.00 9.96 C ATOM 0 H LEU A 69 -3.473 -2.822 5.174 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.903 -0.611 3.331 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -4.002 -2.638 2.093 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.790 -3.519 3.388 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.777 -2.151 3.020 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -7.149 -1.109 0.784 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.930 -0.250 1.756 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -5.418 -1.318 0.427 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -7.478 -3.472 0.913 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -5.763 -3.854 0.629 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.589 -4.490 2.071 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.120 0.088 4.608 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.411 0.455 5.147 1.00 6.26 C ATOM 1117 C VAL A 70 -8.142 1.146 4.048 1.00 9.22 C ATOM 1118 O VAL A 70 -7.550 1.562 3.014 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.293 1.401 6.355 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -6.989 0.618 7.646 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.207 2.446 6.261 1.00 8.54 C ATOM 0 H VAL A 70 -5.712 0.829 4.038 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.929 -0.437 5.499 1.00 6.26 H new ATOM 0 HB VAL A 70 -8.263 1.899 6.365 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -6.911 1.312 8.483 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -7.792 -0.093 7.838 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -6.048 0.080 7.532 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.212 3.058 7.163 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -5.239 1.956 6.160 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -6.386 3.079 5.392 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.459 1.441 4.216 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.207 2.087 3.206 1.00 16.06 C ATOM 1133 C LEU A 71 -10.612 3.452 3.672 1.00 18.09 C ATOM 1134 O LEU A 71 -10.608 3.757 4.841 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.426 1.196 2.933 1.00 17.10 C ATOM 1136 CG LEU A 71 -11.088 -0.264 2.350 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -12.363 -1.074 1.984 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -10.048 -0.212 1.143 1.00 19.57 C ATOM 0 H LEU A 71 -9.989 1.224 5.060 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.630 2.224 2.292 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.986 1.079 3.861 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -12.081 1.709 2.228 1.00 17.10 H new ATOM 0 HG LEU A 71 -10.601 -0.804 3.162 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -12.075 -2.051 1.596 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -12.979 -1.205 2.874 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -12.931 -0.535 1.225 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -9.854 -1.223 0.786 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -10.462 0.386 0.331 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -9.116 0.237 1.485 1.00 19.57 H new