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 60 ASN : amide:sc= 0.881 K(o=2,f=-1.4) USER MOD Set 1.2: A 62 GLN : amide:sc= 1.14 K(o=2,f=-1) USER MOD Single : A 1 MET CE :methyl 173:sc= 0 (180deg=-0.0251) USER MOD Single : A 1 MET N :NH3+ -166:sc= 1.24 (180deg=1.22) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.54 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.0526 USER MOD Single : A 11 LYS NZ :NH3+ -169:sc= 1.25 (180deg=1.22) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -0.148 K(o=-0.15,f=-3.4!) USER MOD Single : A 27 LYS NZ :NH3+ -153:sc= 2.43 (180deg=2.18) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.086 K(o=-0.086,f=-2.1!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 41 GLN : amide:sc= 0.964 K(o=0.96,f=-6.9!) USER MOD Single : A 48 LYS NZ :NH3+ -168:sc= -0.0852 (180deg=-0.372) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.036 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 50:sc= 0.772 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 88:sc= 0.975 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.934 4.396 -0.941 1.00 9.67 N ATOM 2 CA MET A 1 -12.109 4.411 0.287 1.00 10.38 C ATOM 3 C MET A 1 -10.749 5.001 0.139 1.00 9.62 C ATOM 4 O MET A 1 -10.007 4.533 -0.723 1.00 9.62 O ATOM 5 CB MET A 1 -12.042 2.977 0.841 1.00 13.77 C ATOM 6 CG MET A 1 -11.578 2.969 2.299 1.00 16.29 C ATOM 7 SD MET A 1 -11.627 1.260 2.918 1.00 17.17 S ATOM 8 CE MET A 1 -10.025 0.701 2.273 1.00 16.11 C ATOM 0 H1 MET A 1 -13.923 4.193 -0.692 1.00 9.67 H new ATOM 0 H2 MET A 1 -12.877 5.323 -1.409 1.00 9.67 H new ATOM 0 H3 MET A 1 -12.582 3.661 -1.587 1.00 9.67 H new ATOM 0 HA MET A 1 -12.601 5.084 0.989 1.00 10.38 H new ATOM 0 HB2 MET A 1 -13.024 2.509 0.766 1.00 13.77 H new ATOM 0 HB3 MET A 1 -11.358 2.382 0.236 1.00 13.77 H new ATOM 0 HG2 MET A 1 -10.567 3.370 2.376 1.00 16.29 H new ATOM 0 HG3 MET A 1 -12.221 3.608 2.904 1.00 16.29 H new ATOM 0 HE1 MET A 1 -9.808 -0.297 2.654 1.00 16.11 H new ATOM 0 HE2 MET A 1 -10.061 0.674 1.184 1.00 16.11 H new ATOM 0 HE3 MET A 1 -9.243 1.390 2.594 1.00 16.11 H new ATOM 20 N GLN A 2 -10.329 6.028 0.901 1.00 9.27 N ATOM 21 CA GLN A 2 -9.083 6.718 0.775 1.00 9.07 C ATOM 22 C GLN A 2 -8.108 6.077 1.702 1.00 8.72 C ATOM 23 O GLN A 2 -8.345 5.829 2.883 1.00 8.22 O ATOM 24 CB GLN A 2 -9.156 8.218 1.109 1.00 14.46 C ATOM 25 CG GLN A 2 -10.004 9.092 0.183 1.00 17.01 C ATOM 26 CD GLN A 2 -9.993 10.559 0.588 1.00 20.10 C ATOM 27 OE1 GLN A 2 -9.232 11.099 1.389 1.00 21.89 O ATOM 28 NE2 GLN A 2 -10.838 11.350 -0.126 1.00 19.49 N ATOM 0 H GLN A 2 -10.902 6.401 1.658 1.00 9.27 H new ATOM 0 HA GLN A 2 -8.785 6.648 -0.271 1.00 9.07 H new ATOM 0 HB2 GLN A 2 -9.544 8.322 2.122 1.00 14.46 H new ATOM 0 HB3 GLN A 2 -8.141 8.614 1.114 1.00 14.46 H new ATOM 0 HG2 GLN A 2 -9.634 8.998 -0.838 1.00 17.01 H new ATOM 0 HG3 GLN A 2 -11.031 8.726 0.185 1.00 17.01 H new ATOM 0 HE21 GLN A 2 -11.481 10.933 -0.798 1.00 19.49 H new ATOM 0 HE22 GLN A 2 -10.828 12.361 0.011 1.00 19.49 H new ATOM 37 N ILE A 3 -6.887 5.793 1.216 1.00 5.87 N ATOM 38 CA ILE A 3 -5.782 5.272 1.959 1.00 5.07 C ATOM 39 C ILE A 3 -4.619 6.203 1.915 1.00 4.01 C ATOM 40 O ILE A 3 -4.399 6.858 0.898 1.00 4.61 O ATOM 41 CB ILE A 3 -5.282 3.912 1.574 1.00 6.55 C ATOM 42 CG1 ILE A 3 -5.338 3.609 0.067 1.00 4.72 C ATOM 43 CG2 ILE A 3 -6.166 2.897 2.319 1.00 5.58 C ATOM 44 CD1 ILE A 3 -4.456 2.439 -0.366 1.00 10.83 C ATOM 0 H ILE A 3 -6.657 5.938 0.233 1.00 5.87 H new ATOM 0 HA ILE A 3 -6.205 5.170 2.958 1.00 5.07 H new ATOM 0 HB ILE A 3 -4.227 3.856 1.841 1.00 6.55 H new ATOM 0 HG12 ILE A 3 -6.370 3.395 -0.212 1.00 4.72 H new ATOM 0 HG13 ILE A 3 -5.037 4.500 -0.484 1.00 4.72 H new ATOM 0 HG21 ILE A 3 -5.844 1.885 2.074 1.00 5.58 H new ATOM 0 HG22 ILE A 3 -6.076 3.056 3.394 1.00 5.58 H new ATOM 0 HG23 ILE A 3 -7.205 3.030 2.018 1.00 5.58 H new ATOM 0 HD11 ILE A 3 -4.552 2.290 -1.442 1.00 10.83 H new ATOM 0 HD12 ILE A 3 -3.416 2.657 -0.121 1.00 10.83 H new ATOM 0 HD13 ILE A 3 -4.770 1.534 0.155 1.00 10.83 H new ATOM 56 N PHE A 4 -3.751 6.238 2.943 1.00 4.55 N ATOM 57 CA PHE A 4 -2.555 7.014 3.049 1.00 4.68 C ATOM 58 C PHE A 4 -1.265 6.268 3.047 1.00 5.30 C ATOM 59 O PHE A 4 -0.930 5.626 4.041 1.00 5.58 O ATOM 60 CB PHE A 4 -2.570 7.804 4.368 1.00 4.83 C ATOM 61 CG PHE A 4 -3.719 8.727 4.589 1.00 7.97 C ATOM 62 CD1 PHE A 4 -4.289 9.502 3.607 1.00 6.69 C ATOM 63 CD2 PHE A 4 -4.239 8.777 5.860 1.00 8.34 C ATOM 64 CE1 PHE A 4 -5.362 10.306 3.912 1.00 9.10 C ATOM 65 CE2 PHE A 4 -5.312 9.569 6.198 1.00 10.61 C ATOM 66 CZ PHE A 4 -5.889 10.294 5.182 1.00 8.90 C ATOM 0 H PHE A 4 -3.903 5.669 3.776 1.00 4.55 H new ATOM 0 HA PHE A 4 -2.577 7.625 2.147 1.00 4.68 H new ATOM 0 HB2 PHE A 4 -2.545 7.090 5.191 1.00 4.83 H new ATOM 0 HB3 PHE A 4 -1.651 8.387 4.424 1.00 4.83 H new ATOM 0 HD1 PHE A 4 -3.896 9.479 2.601 1.00 6.69 H new ATOM 0 HD2 PHE A 4 -3.785 8.168 6.628 1.00 8.34 H new ATOM 0 HE1 PHE A 4 -5.790 10.946 3.155 1.00 9.10 H new ATOM 0 HE2 PHE A 4 -5.683 9.619 7.211 1.00 10.61 H new ATOM 0 HZ PHE A 4 -6.780 10.869 5.387 1.00 8.90 H new ATOM 76 N VAL A 5 -0.588 6.248 1.886 1.00 4.44 N ATOM 77 CA VAL A 5 0.663 5.561 1.792 1.00 3.87 C ATOM 78 C VAL A 5 1.804 6.479 2.063 1.00 4.93 C ATOM 79 O VAL A 5 2.003 7.462 1.351 1.00 6.84 O ATOM 80 CB VAL A 5 0.838 4.944 0.436 1.00 2.99 C ATOM 81 CG1 VAL A 5 2.246 4.358 0.234 1.00 5.28 C ATOM 82 CG2 VAL A 5 -0.199 3.830 0.215 1.00 9.13 C ATOM 0 H VAL A 5 -0.899 6.699 1.026 1.00 4.44 H new ATOM 0 HA VAL A 5 0.654 4.774 2.546 1.00 3.87 H new ATOM 0 HB VAL A 5 0.695 5.745 -0.290 1.00 2.99 H new ATOM 0 HG11 VAL A 5 2.320 3.924 -0.763 1.00 5.28 H new ATOM 0 HG12 VAL A 5 2.988 5.149 0.341 1.00 5.28 H new ATOM 0 HG13 VAL A 5 2.429 3.585 0.981 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -0.058 3.393 -0.774 1.00 9.13 H new ATOM 0 HG22 VAL A 5 -0.072 3.059 0.974 1.00 9.13 H new ATOM 0 HG23 VAL A 5 -1.203 4.248 0.287 1.00 9.13 H new ATOM 92 N LYS A 6 2.594 6.306 3.139 1.00 6.04 N ATOM 93 CA LYS A 6 3.751 7.060 3.508 1.00 6.12 C ATOM 94 C LYS A 6 5.022 6.389 3.117 1.00 6.57 C ATOM 95 O LYS A 6 5.238 5.199 3.338 1.00 5.76 O ATOM 96 CB LYS A 6 3.829 7.155 5.041 1.00 7.45 C ATOM 97 CG LYS A 6 2.778 8.161 5.517 1.00 11.12 C ATOM 98 CD LYS A 6 2.764 8.468 7.016 1.00 14.54 C ATOM 99 CE LYS A 6 2.075 9.758 7.465 1.00 18.84 C ATOM 100 NZ LYS A 6 2.264 10.048 8.904 1.00 20.55 N ATOM 0 H LYS A 6 2.401 5.566 3.814 1.00 6.04 H new ATOM 0 HA LYS A 6 3.652 8.023 3.007 1.00 6.12 H new ATOM 0 HB2 LYS A 6 3.650 6.178 5.491 1.00 7.45 H new ATOM 0 HB3 LYS A 6 4.825 7.472 5.351 1.00 7.45 H new ATOM 0 HG2 LYS A 6 2.930 9.096 4.978 1.00 11.12 H new ATOM 0 HG3 LYS A 6 1.794 7.787 5.235 1.00 11.12 H new ATOM 0 HD2 LYS A 6 2.282 7.634 7.526 1.00 14.54 H new ATOM 0 HD3 LYS A 6 3.797 8.500 7.363 1.00 14.54 H new ATOM 0 HE2 LYS A 6 2.461 10.592 6.879 1.00 18.84 H new ATOM 0 HE3 LYS A 6 1.008 9.686 7.252 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 1.775 10.933 9.147 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 1.871 9.269 9.470 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 3.279 10.147 9.108 1.00 20.55 H new ATOM 114 N THR A 7 5.840 7.142 2.359 1.00 7.41 N ATOM 115 CA THR A 7 7.101 6.678 1.869 1.00 7.48 C ATOM 116 C THR A 7 8.212 6.833 2.849 1.00 8.75 C ATOM 117 O THR A 7 8.051 7.357 3.950 1.00 8.58 O ATOM 118 CB THR A 7 7.568 7.403 0.642 1.00 9.61 C ATOM 119 OG1 THR A 7 7.744 8.793 0.869 1.00 11.78 O ATOM 120 CG2 THR A 7 6.429 7.296 -0.386 1.00 9.17 C ATOM 0 H THR A 7 5.619 8.098 2.080 1.00 7.41 H new ATOM 0 HA THR A 7 6.899 5.628 1.659 1.00 7.48 H new ATOM 0 HB THR A 7 8.516 6.968 0.326 1.00 9.61 H new ATOM 0 HG1 THR A 7 8.050 9.223 0.043 1.00 11.78 H new ATOM 0 HG21 THR A 7 6.717 7.810 -1.303 1.00 9.17 H new ATOM 0 HG22 THR A 7 6.233 6.246 -0.604 1.00 9.17 H new ATOM 0 HG23 THR A 7 5.528 7.756 0.020 1.00 9.17 H new ATOM 128 N LEU A 8 9.437 6.438 2.459 1.00 9.84 N ATOM 129 CA LEU A 8 10.682 6.472 3.162 1.00 14.15 C ATOM 130 C LEU A 8 10.972 7.811 3.747 1.00 17.37 C ATOM 131 O LEU A 8 11.338 7.892 4.919 1.00 17.01 O ATOM 132 CB LEU A 8 11.857 6.005 2.287 1.00 16.63 C ATOM 133 CG LEU A 8 13.204 5.820 3.005 1.00 18.88 C ATOM 134 CD1 LEU A 8 13.925 4.644 2.323 1.00 18.59 C ATOM 135 CD2 LEU A 8 14.056 7.100 3.013 1.00 19.31 C ATOM 0 H LEU A 8 9.566 6.044 1.527 1.00 9.84 H new ATOM 0 HA LEU A 8 10.573 5.767 3.986 1.00 14.15 H new ATOM 0 HB2 LEU A 8 11.583 5.058 1.822 1.00 16.63 H new ATOM 0 HB3 LEU A 8 11.994 6.727 1.482 1.00 16.63 H new ATOM 0 HG LEU A 8 13.033 5.600 4.059 1.00 18.88 H new ATOM 0 HD11 LEU A 8 14.889 4.479 2.805 1.00 18.59 H new ATOM 0 HD12 LEU A 8 13.317 3.744 2.411 1.00 18.59 H new ATOM 0 HD13 LEU A 8 14.081 4.875 1.269 1.00 18.59 H new ATOM 0 HD21 LEU A 8 14.995 6.909 3.533 1.00 19.31 H new ATOM 0 HD22 LEU A 8 14.265 7.404 1.987 1.00 19.31 H new ATOM 0 HD23 LEU A 8 13.513 7.895 3.524 1.00 19.31 H new ATOM 147 N THR A 9 10.823 8.892 2.961 1.00 18.33 N ATOM 148 CA THR A 9 11.305 10.214 3.214 1.00 19.24 C ATOM 149 C THR A 9 10.209 10.963 3.889 1.00 19.48 C ATOM 150 O THR A 9 10.252 11.314 5.068 1.00 23.14 O ATOM 151 CB THR A 9 11.845 11.037 2.082 1.00 18.97 C ATOM 152 OG1 THR A 9 10.941 11.198 0.998 1.00 20.24 O ATOM 153 CG2 THR A 9 13.115 10.364 1.535 1.00 19.70 C ATOM 0 H THR A 9 10.323 8.834 2.074 1.00 18.33 H new ATOM 0 HA THR A 9 12.201 10.055 3.815 1.00 19.24 H new ATOM 0 HB THR A 9 12.038 12.027 2.495 1.00 18.97 H new ATOM 0 HG1 THR A 9 11.360 11.745 0.301 1.00 20.24 H new ATOM 0 HG21 THR A 9 13.514 10.956 0.711 1.00 19.70 H new ATOM 0 HG22 THR A 9 13.860 10.295 2.327 1.00 19.70 H new ATOM 0 HG23 THR A 9 12.872 9.363 1.178 1.00 19.70 H new ATOM 161 N GLY A 10 9.122 11.193 3.131 1.00 19.43 N ATOM 162 CA GLY A 10 7.901 11.540 3.789 1.00 18.74 C ATOM 163 C GLY A 10 7.074 12.158 2.715 1.00 17.62 C ATOM 164 O GLY A 10 6.849 13.367 2.703 1.00 19.74 O ATOM 0 H GLY A 10 9.084 11.143 2.113 1.00 19.43 H new ATOM 0 HA2 GLY A 10 7.413 10.662 4.213 1.00 18.74 H new ATOM 0 HA3 GLY A 10 8.074 12.236 4.610 1.00 18.74 H new ATOM 168 N LYS A 11 6.535 11.295 1.835 1.00 13.56 N ATOM 169 CA LYS A 11 5.465 11.674 0.965 1.00 11.91 C ATOM 170 C LYS A 11 4.254 10.881 1.318 1.00 10.18 C ATOM 171 O LYS A 11 4.309 9.653 1.371 1.00 9.10 O ATOM 172 CB LYS A 11 5.825 11.316 -0.487 1.00 13.43 C ATOM 173 CG LYS A 11 4.787 11.841 -1.481 1.00 16.69 C ATOM 174 CD LYS A 11 5.187 11.757 -2.956 1.00 17.92 C ATOM 175 CE LYS A 11 6.465 12.518 -3.317 1.00 20.81 C ATOM 176 NZ LYS A 11 6.841 12.276 -4.728 1.00 21.93 N ATOM 0 H LYS A 11 6.843 10.329 1.726 1.00 13.56 H new ATOM 0 HA LYS A 11 5.289 12.745 1.068 1.00 11.91 H new ATOM 0 HB2 LYS A 11 6.803 11.731 -0.731 1.00 13.43 H new ATOM 0 HB3 LYS A 11 5.905 10.233 -0.584 1.00 13.43 H new ATOM 0 HG2 LYS A 11 3.861 11.283 -1.341 1.00 16.69 H new ATOM 0 HG3 LYS A 11 4.572 12.882 -1.239 1.00 16.69 H new ATOM 0 HD2 LYS A 11 5.317 10.708 -3.224 1.00 17.92 H new ATOM 0 HD3 LYS A 11 4.368 12.142 -3.563 1.00 17.92 H new ATOM 0 HE2 LYS A 11 6.316 13.585 -3.154 1.00 20.81 H new ATOM 0 HE3 LYS A 11 7.277 12.205 -2.661 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 7.799 12.644 -4.900 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 6.822 11.254 -4.922 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 6.167 12.760 -5.355 1.00 21.93 H new ATOM 190 N THR A 12 3.161 11.523 1.766 1.00 9.63 N ATOM 191 CA THR A 12 1.869 10.977 2.044 1.00 9.85 C ATOM 192 C THR A 12 1.074 10.903 0.786 1.00 11.66 C ATOM 193 O THR A 12 0.494 11.873 0.301 1.00 12.33 O ATOM 194 CB THR A 12 0.998 11.551 3.123 1.00 10.85 C ATOM 195 OG1 THR A 12 1.817 11.582 4.283 1.00 10.91 O ATOM 196 CG2 THR A 12 -0.241 10.675 3.368 1.00 9.63 C ATOM 0 H THR A 12 3.187 12.526 1.951 1.00 9.63 H new ATOM 0 HA THR A 12 2.152 10.016 2.474 1.00 9.85 H new ATOM 0 HB THR A 12 0.626 12.538 2.850 1.00 10.85 H new ATOM 0 HG1 THR A 12 1.307 11.951 5.034 1.00 10.91 H new ATOM 0 HG21 THR A 12 -0.850 11.119 4.155 1.00 9.63 H new ATOM 0 HG22 THR A 12 -0.826 10.607 2.451 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.074 9.677 3.672 1.00 9.63 H new ATOM 204 N ILE A 13 1.132 9.725 0.140 1.00 10.42 N ATOM 205 CA ILE A 13 0.545 9.437 -1.132 1.00 11.84 C ATOM 206 C ILE A 13 -0.869 9.033 -0.889 1.00 10.55 C ATOM 207 O ILE A 13 -1.199 7.938 -0.437 1.00 11.92 O ATOM 208 CB ILE A 13 1.223 8.353 -1.916 1.00 14.86 C ATOM 209 CG1 ILE A 13 2.737 8.596 -2.041 1.00 14.87 C ATOM 210 CG2 ILE A 13 0.753 8.290 -3.379 1.00 17.08 C ATOM 211 CD1 ILE A 13 3.557 7.329 -2.274 1.00 16.46 C ATOM 0 H ILE A 13 1.622 8.921 0.533 1.00 10.42 H new ATOM 0 HA ILE A 13 0.643 10.340 -1.735 1.00 11.84 H new ATOM 0 HB ILE A 13 0.978 7.445 -1.365 1.00 14.86 H new ATOM 0 HG12 ILE A 13 2.916 9.288 -2.864 1.00 14.87 H new ATOM 0 HG13 ILE A 13 3.092 9.083 -1.133 1.00 14.87 H new ATOM 0 HG21 ILE A 13 1.278 7.487 -3.896 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -0.320 8.100 -3.409 1.00 17.08 H new ATOM 0 HG23 ILE A 13 0.967 9.239 -3.871 1.00 17.08 H new ATOM 0 HD11 ILE A 13 4.613 7.588 -2.351 1.00 16.46 H new ATOM 0 HD12 ILE A 13 3.411 6.643 -1.440 1.00 16.46 H new ATOM 0 HD13 ILE A 13 3.233 6.851 -3.198 1.00 16.46 H new ATOM 223 N THR A 14 -1.873 9.880 -1.177 1.00 9.39 N ATOM 224 CA THR A 14 -3.275 9.653 -1.007 1.00 9.63 C ATOM 225 C THR A 14 -3.794 8.982 -2.232 1.00 11.20 C ATOM 226 O THR A 14 -3.868 9.588 -3.300 1.00 11.63 O ATOM 227 CB THR A 14 -4.149 10.835 -0.708 1.00 10.38 C ATOM 228 OG1 THR A 14 -3.730 11.645 0.380 1.00 16.30 O ATOM 229 CG2 THR A 14 -5.580 10.481 -0.271 1.00 11.66 C ATOM 0 H THR A 14 -1.685 10.805 -1.563 1.00 9.39 H new ATOM 0 HA THR A 14 -3.335 9.048 -0.102 1.00 9.63 H new ATOM 0 HB THR A 14 -4.089 11.342 -1.671 1.00 10.38 H new ATOM 0 HG1 THR A 14 -4.359 12.388 0.496 1.00 16.30 H new ATOM 0 HG21 THR A 14 -6.138 11.397 -0.076 1.00 11.66 H new ATOM 0 HG22 THR A 14 -6.073 9.917 -1.063 1.00 11.66 H new ATOM 0 HG23 THR A 14 -5.545 9.878 0.636 1.00 11.66 H new ATOM 237 N LEU A 15 -4.171 7.697 -2.107 1.00 8.29 N ATOM 238 CA LEU A 15 -4.759 6.955 -3.180 1.00 9.03 C ATOM 239 C LEU A 15 -6.164 6.682 -2.767 1.00 8.59 C ATOM 240 O LEU A 15 -6.410 6.378 -1.601 1.00 7.79 O ATOM 241 CB LEU A 15 -4.006 5.633 -3.401 1.00 11.08 C ATOM 242 CG LEU A 15 -2.481 5.695 -3.591 1.00 15.79 C ATOM 243 CD1 LEU A 15 -1.860 4.290 -3.512 1.00 15.27 C ATOM 244 CD2 LEU A 15 -2.024 6.355 -4.903 1.00 15.88 C ATOM 0 H LEU A 15 -4.066 7.163 -1.245 1.00 8.29 H new ATOM 0 HA LEU A 15 -4.714 7.511 -4.116 1.00 9.03 H new ATOM 0 HB2 LEU A 15 -4.210 4.985 -2.548 1.00 11.08 H new ATOM 0 HB3 LEU A 15 -4.433 5.148 -4.279 1.00 11.08 H new ATOM 0 HG LEU A 15 -2.131 6.327 -2.775 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -0.781 4.361 -3.649 1.00 15.27 H new ATOM 0 HD12 LEU A 15 -2.074 3.852 -2.537 1.00 15.27 H new ATOM 0 HD13 LEU A 15 -2.285 3.660 -4.294 1.00 15.27 H new ATOM 0 HD21 LEU A 15 -0.935 6.354 -4.951 1.00 15.88 H new ATOM 0 HD22 LEU A 15 -2.425 5.797 -5.750 1.00 15.88 H new ATOM 0 HD23 LEU A 15 -2.388 7.382 -4.940 1.00 15.88 H new ATOM 256 N GLU A 16 -7.133 6.760 -3.697 1.00 11.04 N ATOM 257 CA GLU A 16 -8.454 6.270 -3.454 1.00 11.50 C ATOM 258 C GLU A 16 -8.700 4.974 -4.147 1.00 10.13 C ATOM 259 O GLU A 16 -8.405 4.793 -5.328 1.00 9.83 O ATOM 260 CB GLU A 16 -9.518 7.194 -4.070 1.00 17.22 C ATOM 261 CG GLU A 16 -10.950 6.851 -3.655 1.00 23.33 C ATOM 262 CD GLU A 16 -11.919 7.972 -4.002 1.00 26.99 C ATOM 263 OE1 GLU A 16 -12.402 8.038 -5.164 1.00 28.90 O ATOM 264 OE2 GLU A 16 -12.348 8.582 -2.986 1.00 28.86 O ATOM 0 H GLU A 16 -7.000 7.165 -4.623 1.00 11.04 H new ATOM 0 HA GLU A 16 -8.524 6.193 -2.369 1.00 11.50 H new ATOM 0 HB2 GLU A 16 -9.303 8.223 -3.782 1.00 17.22 H new ATOM 0 HB3 GLU A 16 -9.443 7.145 -5.156 1.00 17.22 H new ATOM 0 HG2 GLU A 16 -11.263 5.932 -4.151 1.00 23.33 H new ATOM 0 HG3 GLU A 16 -10.983 6.661 -2.582 1.00 23.33 H new ATOM 271 N VAL A 17 -9.236 4.009 -3.380 1.00 8.99 N ATOM 272 CA VAL A 17 -9.501 2.703 -3.899 1.00 8.85 C ATOM 273 C VAL A 17 -10.880 2.287 -3.520 1.00 8.04 C ATOM 274 O VAL A 17 -11.546 2.989 -2.761 1.00 8.99 O ATOM 275 CB VAL A 17 -8.442 1.728 -3.477 1.00 9.78 C ATOM 276 CG1 VAL A 17 -7.036 2.191 -3.893 1.00 12.05 C ATOM 277 CG2 VAL A 17 -8.367 1.433 -1.969 1.00 10.54 C ATOM 0 H VAL A 17 -9.486 4.133 -2.399 1.00 8.99 H new ATOM 0 HA VAL A 17 -9.459 2.722 -4.988 1.00 8.85 H new ATOM 0 HB VAL A 17 -8.750 0.817 -3.991 1.00 9.78 H new ATOM 0 HG11 VAL A 17 -6.300 1.456 -3.568 1.00 12.05 H new ATOM 0 HG12 VAL A 17 -6.992 2.293 -4.977 1.00 12.05 H new ATOM 0 HG13 VAL A 17 -6.818 3.153 -3.429 1.00 12.05 H new ATOM 0 HG21 VAL A 17 -7.568 0.717 -1.778 1.00 10.54 H new ATOM 0 HG22 VAL A 17 -8.164 2.357 -1.427 1.00 10.54 H new ATOM 0 HG23 VAL A 17 -9.316 1.016 -1.632 1.00 10.54 H new ATOM 287 N GLU A 18 -11.386 1.101 -3.905 1.00 7.29 N ATOM 288 CA GLU A 18 -12.542 0.482 -3.336 1.00 7.08 C ATOM 289 C GLU A 18 -12.183 -0.301 -2.120 1.00 6.45 C ATOM 290 O GLU A 18 -11.016 -0.667 -1.996 1.00 5.28 O ATOM 291 CB GLU A 18 -13.389 -0.388 -4.280 1.00 10.28 C ATOM 292 CG GLU A 18 -13.843 0.236 -5.601 1.00 12.65 C ATOM 293 CD GLU A 18 -14.869 -0.695 -6.231 1.00 14.15 C ATOM 294 OE1 GLU A 18 -14.501 -1.684 -6.919 1.00 18.17 O ATOM 295 OE2 GLU A 18 -16.076 -0.445 -5.969 1.00 14.33 O ATOM 0 H GLU A 18 -10.967 0.547 -4.651 1.00 7.29 H new ATOM 0 HA GLU A 18 -13.183 1.327 -3.084 1.00 7.08 H new ATOM 0 HB2 GLU A 18 -12.818 -1.287 -4.512 1.00 10.28 H new ATOM 0 HB3 GLU A 18 -14.278 -0.707 -3.736 1.00 10.28 H new ATOM 0 HG2 GLU A 18 -14.277 1.221 -5.428 1.00 12.65 H new ATOM 0 HG3 GLU A 18 -12.993 0.375 -6.269 1.00 12.65 H new ATOM 302 N PRO A 19 -13.025 -0.712 -1.219 1.00 7.24 N ATOM 303 CA PRO A 19 -12.563 -1.464 -0.089 1.00 7.07 C ATOM 304 C PRO A 19 -12.238 -2.886 -0.394 1.00 6.65 C ATOM 305 O PRO A 19 -11.728 -3.611 0.458 1.00 6.37 O ATOM 306 CB PRO A 19 -13.871 -1.466 0.699 1.00 7.61 C ATOM 307 CG PRO A 19 -14.395 -0.030 0.540 1.00 8.16 C ATOM 308 CD PRO A 19 -14.182 0.136 -0.973 1.00 7.49 C ATOM 0 HA PRO A 19 -11.657 -1.057 0.361 1.00 7.07 H new ATOM 0 HB2 PRO A 19 -14.576 -2.196 0.302 1.00 7.61 H new ATOM 0 HB3 PRO A 19 -13.707 -1.719 1.747 1.00 7.61 H new ATOM 0 HG2 PRO A 19 -15.440 0.072 0.832 1.00 8.16 H new ATOM 0 HG3 PRO A 19 -13.828 0.693 1.127 1.00 8.16 H new ATOM 0 HD2 PRO A 19 -15.052 -0.188 -1.544 1.00 7.49 H new ATOM 0 HD3 PRO A 19 -13.991 1.174 -1.245 1.00 7.49 H new ATOM 316 N SER A 20 -12.686 -3.268 -1.603 1.00 6.80 N ATOM 317 CA SER A 20 -12.706 -4.636 -2.018 1.00 6.28 C ATOM 318 C SER A 20 -11.561 -4.854 -2.946 1.00 8.45 C ATOM 319 O SER A 20 -11.324 -5.979 -3.382 1.00 7.26 O ATOM 320 CB SER A 20 -14.004 -5.044 -2.735 1.00 8.57 C ATOM 321 OG SER A 20 -15.170 -4.755 -1.977 1.00 11.13 O ATOM 0 H SER A 20 -13.040 -2.617 -2.304 1.00 6.80 H new ATOM 0 HA SER A 20 -12.637 -5.249 -1.120 1.00 6.28 H new ATOM 0 HB2 SER A 20 -14.062 -4.526 -3.692 1.00 8.57 H new ATOM 0 HB3 SER A 20 -13.973 -6.112 -2.951 1.00 8.57 H new ATOM 0 HG SER A 20 -15.964 -5.033 -2.480 1.00 11.13 H new ATOM 327 N ASP A 21 -10.733 -3.818 -3.174 1.00 7.50 N ATOM 328 CA ASP A 21 -9.491 -3.986 -3.862 1.00 7.70 C ATOM 329 C ASP A 21 -8.385 -4.600 -3.074 1.00 7.08 C ATOM 330 O ASP A 21 -8.391 -4.561 -1.845 1.00 8.11 O ATOM 331 CB ASP A 21 -9.033 -2.639 -4.447 1.00 11.00 C ATOM 332 CG ASP A 21 -9.860 -1.940 -5.517 1.00 15.32 C ATOM 333 OD1 ASP A 21 -10.372 -2.600 -6.460 1.00 14.36 O ATOM 334 OD2 ASP A 21 -9.872 -0.680 -5.506 1.00 18.03 O ATOM 0 H ASP A 21 -10.925 -2.860 -2.880 1.00 7.50 H new ATOM 0 HA ASP A 21 -9.704 -4.711 -4.647 1.00 7.70 H new ATOM 0 HB2 ASP A 21 -8.932 -1.944 -3.613 1.00 11.00 H new ATOM 0 HB3 ASP A 21 -8.035 -2.790 -4.859 1.00 11.00 H new ATOM 339 N THR A 22 -7.454 -5.229 -3.814 1.00 5.37 N ATOM 340 CA THR A 22 -6.301 -5.911 -3.314 1.00 6.01 C ATOM 341 C THR A 22 -5.028 -5.143 -3.213 1.00 8.01 C ATOM 342 O THR A 22 -5.024 -4.031 -3.738 1.00 8.11 O ATOM 343 CB THR A 22 -5.892 -7.094 -4.140 1.00 8.92 C ATOM 344 OG1 THR A 22 -5.685 -6.644 -5.471 1.00 10.22 O ATOM 345 CG2 THR A 22 -6.951 -8.208 -4.200 1.00 9.65 C ATOM 0 H THR A 22 -7.512 -5.263 -4.832 1.00 5.37 H new ATOM 0 HA THR A 22 -6.683 -6.153 -2.322 1.00 6.01 H new ATOM 0 HB THR A 22 -4.999 -7.512 -3.674 1.00 8.92 H new ATOM 0 HG1 THR A 22 -5.414 -7.400 -6.033 1.00 10.22 H new ATOM 0 HG21 THR A 22 -6.582 -9.028 -4.815 1.00 9.65 H new ATOM 0 HG22 THR A 22 -7.153 -8.572 -3.193 1.00 9.65 H new ATOM 0 HG23 THR A 22 -7.870 -7.814 -4.634 1.00 9.65 H new ATOM 353 N ILE A 23 -4.003 -5.709 -2.551 1.00 8.32 N ATOM 354 CA ILE A 23 -2.747 -5.050 -2.369 1.00 9.92 C ATOM 355 C ILE A 23 -1.955 -4.792 -3.604 1.00 10.01 C ATOM 356 O ILE A 23 -1.518 -3.669 -3.849 1.00 8.71 O ATOM 357 CB ILE A 23 -1.877 -5.670 -1.317 1.00 10.78 C ATOM 358 CG1 ILE A 23 -2.721 -6.126 -0.115 1.00 11.38 C ATOM 359 CG2 ILE A 23 -0.719 -4.729 -0.944 1.00 10.90 C ATOM 360 CD1 ILE A 23 -3.634 -5.136 0.608 1.00 12.30 C ATOM 0 H ILE A 23 -4.047 -6.639 -2.135 1.00 8.32 H new ATOM 0 HA ILE A 23 -3.073 -4.072 -2.014 1.00 9.92 H new ATOM 0 HB ILE A 23 -1.412 -6.571 -1.716 1.00 10.78 H new ATOM 0 HG12 ILE A 23 -3.346 -6.952 -0.455 1.00 11.38 H new ATOM 0 HG13 ILE A 23 -2.033 -6.531 0.627 1.00 11.38 H new ATOM 0 HG21 ILE A 23 -0.100 -5.199 -0.179 1.00 10.90 H new ATOM 0 HG22 ILE A 23 -0.114 -4.529 -1.828 1.00 10.90 H new ATOM 0 HG23 ILE A 23 -1.121 -3.792 -0.560 1.00 10.90 H new ATOM 0 HD11 ILE A 23 -4.145 -5.643 1.426 1.00 12.30 H new ATOM 0 HD12 ILE A 23 -3.038 -4.315 1.006 1.00 12.30 H new ATOM 0 HD13 ILE A 23 -4.371 -4.743 -0.092 1.00 12.30 H new ATOM 372 N GLU A 24 -1.883 -5.772 -4.523 1.00 9.54 N ATOM 373 CA GLU A 24 -1.573 -5.651 -5.914 1.00 11.81 C ATOM 374 C GLU A 24 -1.965 -4.352 -6.531 1.00 11.14 C ATOM 375 O GLU A 24 -1.200 -3.747 -7.280 1.00 10.62 O ATOM 376 CB GLU A 24 -2.128 -6.821 -6.743 1.00 19.24 C ATOM 377 CG GLU A 24 -1.393 -8.156 -6.600 1.00 27.76 C ATOM 378 CD GLU A 24 -0.095 -8.256 -7.388 1.00 32.92 C ATOM 379 OE1 GLU A 24 0.911 -7.564 -7.075 1.00 34.80 O ATOM 380 OE2 GLU A 24 -0.113 -8.985 -8.415 1.00 36.51 O ATOM 0 H GLU A 24 -2.060 -6.743 -4.264 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.484 -5.685 -5.939 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -3.171 -6.973 -6.467 1.00 19.24 H new ATOM 0 HB3 GLU A 24 -2.115 -6.533 -7.794 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.175 -8.324 -5.545 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.059 -8.958 -6.920 1.00 27.76 H new ATOM 387 N ASN A 25 -3.215 -3.887 -6.356 1.00 9.43 N ATOM 388 CA ASN A 25 -3.699 -2.696 -6.981 1.00 10.96 C ATOM 389 C ASN A 25 -3.095 -1.528 -6.281 1.00 9.68 C ATOM 390 O ASN A 25 -2.726 -0.573 -6.963 1.00 9.33 O ATOM 391 CB ASN A 25 -5.220 -2.476 -6.926 1.00 16.78 C ATOM 392 CG ASN A 25 -6.008 -3.657 -7.476 1.00 22.31 C ATOM 393 OD1 ASN A 25 -7.033 -3.835 -6.820 1.00 25.66 O ATOM 394 ND2 ASN A 25 -5.742 -4.292 -8.648 1.00 24.70 N ATOM 0 H ASN A 25 -3.906 -4.350 -5.766 1.00 9.43 H new ATOM 0 HA ASN A 25 -3.426 -2.801 -8.031 1.00 10.96 H new ATOM 0 HB2 ASN A 25 -5.519 -2.295 -5.894 1.00 16.78 H new ATOM 0 HB3 ASN A 25 -5.474 -1.580 -7.493 1.00 16.78 H new ATOM 0 HD21 ASN A 25 -6.412 -4.960 -9.030 1.00 24.70 H new ATOM 0 HD22 ASN A 25 -4.872 -4.101 -9.146 1.00 24.70 H new ATOM 401 N VAL A 26 -2.930 -1.566 -4.947 1.00 6.52 N ATOM 402 CA VAL A 26 -2.293 -0.548 -4.171 1.00 5.53 C ATOM 403 C VAL A 26 -0.889 -0.317 -4.615 1.00 4.42 C ATOM 404 O VAL A 26 -0.425 0.784 -4.906 1.00 3.40 O ATOM 405 CB VAL A 26 -2.346 -0.835 -2.700 1.00 3.86 C ATOM 406 CG1 VAL A 26 -1.552 0.165 -1.843 1.00 7.25 C ATOM 407 CG2 VAL A 26 -3.817 -0.884 -2.254 1.00 8.12 C ATOM 0 H VAL A 26 -3.258 -2.348 -4.380 1.00 6.52 H new ATOM 0 HA VAL A 26 -2.858 0.368 -4.343 1.00 5.53 H new ATOM 0 HB VAL A 26 -1.864 -1.800 -2.541 1.00 3.86 H new ATOM 0 HG11 VAL A 26 -1.638 -0.108 -0.791 1.00 7.25 H new ATOM 0 HG12 VAL A 26 -0.503 0.145 -2.138 1.00 7.25 H new ATOM 0 HG13 VAL A 26 -1.951 1.168 -1.991 1.00 7.25 H new ATOM 0 HG21 VAL A 26 -3.866 -1.092 -1.185 1.00 8.12 H new ATOM 0 HG22 VAL A 26 -4.292 0.076 -2.459 1.00 8.12 H new ATOM 0 HG23 VAL A 26 -4.337 -1.670 -2.801 1.00 8.12 H new ATOM 417 N LYS A 27 -0.166 -1.423 -4.867 1.00 2.64 N ATOM 418 CA LYS A 27 1.151 -1.466 -5.422 1.00 4.14 C ATOM 419 C LYS A 27 1.280 -0.924 -6.804 1.00 5.58 C ATOM 420 O LYS A 27 2.268 -0.252 -7.094 1.00 4.11 O ATOM 421 CB LYS A 27 1.693 -2.903 -5.489 1.00 3.97 C ATOM 422 CG LYS A 27 1.846 -3.616 -4.144 1.00 7.45 C ATOM 423 CD LYS A 27 1.829 -5.128 -4.376 1.00 9.02 C ATOM 424 CE LYS A 27 2.996 -5.707 -5.178 1.00 12.90 C ATOM 425 NZ LYS A 27 2.983 -7.172 -5.394 1.00 15.47 N ATOM 0 H LYS A 27 -0.530 -2.355 -4.668 1.00 2.64 H new ATOM 0 HA LYS A 27 1.716 -0.832 -4.739 1.00 4.14 H new ATOM 0 HB2 LYS A 27 1.028 -3.494 -6.119 1.00 3.97 H new ATOM 0 HB3 LYS A 27 2.665 -2.883 -5.982 1.00 3.97 H new ATOM 0 HG2 LYS A 27 2.779 -3.319 -3.665 1.00 7.45 H new ATOM 0 HG3 LYS A 27 1.037 -3.329 -3.472 1.00 7.45 H new ATOM 0 HD2 LYS A 27 1.804 -5.622 -3.405 1.00 9.02 H new ATOM 0 HD3 LYS A 27 0.902 -5.384 -4.889 1.00 9.02 H new ATOM 0 HE2 LYS A 27 3.017 -5.218 -6.152 1.00 12.90 H new ATOM 0 HE3 LYS A 27 3.924 -5.445 -4.669 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 3.958 -7.514 -5.516 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 2.552 -7.640 -4.571 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 2.430 -7.392 -6.247 1.00 15.47 H new ATOM 439 N ALA A 28 0.294 -1.122 -7.697 1.00 6.61 N ATOM 440 CA ALA A 28 0.196 -0.609 -9.029 1.00 7.74 C ATOM 441 C ALA A 28 0.040 0.872 -9.077 1.00 9.17 C ATOM 442 O ALA A 28 0.662 1.533 -9.907 1.00 11.45 O ATOM 443 CB ALA A 28 -0.881 -1.286 -9.893 1.00 7.68 C ATOM 0 H ALA A 28 -0.513 -1.699 -7.461 1.00 6.61 H new ATOM 0 HA ALA A 28 1.160 -0.864 -9.470 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -0.887 -0.836 -10.886 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -0.663 -2.351 -9.978 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.858 -1.152 -9.428 1.00 7.68 H new ATOM 449 N LYS A 29 -0.757 1.416 -8.140 1.00 8.96 N ATOM 450 CA LYS A 29 -1.060 2.810 -8.048 1.00 7.90 C ATOM 451 C LYS A 29 0.137 3.564 -7.580 1.00 6.92 C ATOM 452 O LYS A 29 0.436 4.625 -8.126 1.00 6.87 O ATOM 453 CB LYS A 29 -2.314 3.068 -7.195 1.00 10.28 C ATOM 454 CG LYS A 29 -3.626 2.601 -7.828 1.00 14.94 C ATOM 455 CD LYS A 29 -4.918 3.095 -7.174 1.00 19.69 C ATOM 456 CE LYS A 29 -6.153 3.040 -8.075 1.00 22.63 C ATOM 457 NZ LYS A 29 -6.703 1.712 -8.430 1.00 24.98 N ATOM 0 H LYS A 29 -1.210 0.860 -7.415 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.307 3.183 -9.042 1.00 7.90 H new ATOM 0 HB2 LYS A 29 -2.192 2.568 -6.234 1.00 10.28 H new ATOM 0 HB3 LYS A 29 -2.385 4.137 -6.992 1.00 10.28 H new ATOM 0 HG2 LYS A 29 -3.631 2.915 -8.872 1.00 14.94 H new ATOM 0 HG3 LYS A 29 -3.637 1.511 -7.823 1.00 14.94 H new ATOM 0 HD2 LYS A 29 -5.109 2.498 -6.282 1.00 19.69 H new ATOM 0 HD3 LYS A 29 -4.772 4.123 -6.844 1.00 19.69 H new ATOM 0 HE2 LYS A 29 -6.945 3.609 -7.589 1.00 22.63 H new ATOM 0 HE3 LYS A 29 -5.911 3.559 -9.003 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 -7.535 1.833 -9.042 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 -5.980 1.160 -8.934 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 -6.981 1.209 -7.564 1.00 24.98 H new ATOM 471 N ILE A 30 0.951 2.864 -6.771 1.00 4.57 N ATOM 472 CA ILE A 30 2.210 3.369 -6.318 1.00 5.58 C ATOM 473 C ILE A 30 3.207 3.406 -7.424 1.00 7.26 C ATOM 474 O ILE A 30 3.940 4.373 -7.627 1.00 9.46 O ATOM 475 CB ILE A 30 2.665 2.632 -5.093 1.00 5.36 C ATOM 476 CG1 ILE A 30 1.706 2.848 -3.910 1.00 2.94 C ATOM 477 CG2 ILE A 30 4.129 2.930 -4.727 1.00 2.78 C ATOM 478 CD1 ILE A 30 1.839 1.821 -2.787 1.00 2.00 C ATOM 0 H ILE A 30 0.731 1.930 -6.425 1.00 4.57 H new ATOM 0 HA ILE A 30 2.093 4.408 -6.010 1.00 5.58 H new ATOM 0 HB ILE A 30 2.633 1.570 -5.338 1.00 5.36 H new ATOM 0 HG12 ILE A 30 1.877 3.842 -3.497 1.00 2.94 H new ATOM 0 HG13 ILE A 30 0.682 2.830 -4.282 1.00 2.94 H new ATOM 0 HG21 ILE A 30 4.402 2.369 -3.833 1.00 2.78 H new ATOM 0 HG22 ILE A 30 4.777 2.636 -5.552 1.00 2.78 H new ATOM 0 HG23 ILE A 30 4.246 3.997 -4.536 1.00 2.78 H new ATOM 0 HD11 ILE A 30 1.125 2.052 -1.996 1.00 2.00 H new ATOM 0 HD12 ILE A 30 1.636 0.824 -3.179 1.00 2.00 H new ATOM 0 HD13 ILE A 30 2.851 1.853 -2.383 1.00 2.00 H new ATOM 490 N GLN A 31 3.219 2.386 -8.301 1.00 7.06 N ATOM 491 CA GLN A 31 3.973 2.366 -9.516 1.00 8.67 C ATOM 492 C GLN A 31 3.493 3.455 -10.413 1.00 10.90 C ATOM 493 O GLN A 31 4.265 4.222 -10.987 1.00 9.63 O ATOM 494 CB GLN A 31 3.908 0.999 -10.217 1.00 9.12 C ATOM 495 CG GLN A 31 4.709 0.823 -11.509 1.00 10.76 C ATOM 496 CD GLN A 31 4.337 -0.517 -12.128 1.00 13.78 C ATOM 497 OE1 GLN A 31 3.293 -1.084 -11.810 1.00 14.48 O ATOM 498 NE2 GLN A 31 5.283 -1.134 -12.886 1.00 14.76 N ATOM 0 H GLN A 31 2.677 1.534 -8.155 1.00 7.06 H new ATOM 0 HA GLN A 31 5.022 2.536 -9.271 1.00 8.67 H new ATOM 0 HB2 GLN A 31 4.244 0.242 -9.508 1.00 9.12 H new ATOM 0 HB3 GLN A 31 2.862 0.785 -10.439 1.00 9.12 H new ATOM 0 HG2 GLN A 31 4.491 1.635 -12.203 1.00 10.76 H new ATOM 0 HG3 GLN A 31 5.778 0.860 -11.300 1.00 10.76 H new ATOM 0 HE21 GLN A 31 6.140 -0.639 -13.135 1.00 14.76 H new ATOM 0 HE22 GLN A 31 5.136 -2.091 -13.206 1.00 14.76 H new ATOM 507 N ASP A 32 2.168 3.672 -10.479 1.00 10.93 N ATOM 508 CA ASP A 32 1.620 4.574 -11.444 1.00 14.01 C ATOM 509 C ASP A 32 1.931 5.986 -11.081 1.00 14.04 C ATOM 510 O ASP A 32 2.302 6.710 -12.004 1.00 13.39 O ATOM 511 CB ASP A 32 0.116 4.343 -11.664 1.00 18.01 C ATOM 512 CG ASP A 32 -0.460 4.995 -12.913 1.00 24.33 C ATOM 513 OD1 ASP A 32 -0.077 4.626 -14.055 1.00 26.29 O ATOM 514 OD2 ASP A 32 -1.416 5.780 -12.673 1.00 25.17 O ATOM 0 H ASP A 32 1.481 3.228 -9.870 1.00 10.93 H new ATOM 0 HA ASP A 32 2.098 4.369 -12.402 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -0.068 3.270 -11.715 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -0.425 4.718 -10.795 1.00 18.01 H new ATOM 519 N LYS A 33 1.803 6.412 -9.812 1.00 14.22 N ATOM 520 CA LYS A 33 2.012 7.756 -9.373 1.00 14.00 C ATOM 521 C LYS A 33 3.438 8.186 -9.432 1.00 12.37 C ATOM 522 O LYS A 33 3.803 9.270 -9.884 1.00 12.17 O ATOM 523 CB LYS A 33 1.711 7.736 -7.865 1.00 18.62 C ATOM 524 CG LYS A 33 1.240 9.051 -7.241 1.00 24.00 C ATOM 525 CD LYS A 33 -0.150 9.507 -7.692 1.00 27.61 C ATOM 526 CE LYS A 33 -0.761 10.873 -7.371 1.00 27.64 C ATOM 527 NZ LYS A 33 -2.202 10.901 -7.708 1.00 30.06 N ATOM 0 H LYS A 33 1.540 5.785 -9.052 1.00 14.22 H new ATOM 0 HA LYS A 33 1.406 8.412 -9.998 1.00 14.00 H new ATOM 0 HB2 LYS A 33 0.948 6.979 -7.680 1.00 18.62 H new ATOM 0 HB3 LYS A 33 2.612 7.415 -7.342 1.00 18.62 H new ATOM 0 HG2 LYS A 33 1.239 8.944 -6.156 1.00 24.00 H new ATOM 0 HG3 LYS A 33 1.961 9.832 -7.483 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -0.158 9.421 -8.779 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -0.850 8.765 -7.308 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.627 11.096 -6.312 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.238 11.650 -7.929 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -2.593 11.837 -7.481 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -2.325 10.711 -8.723 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -2.702 10.174 -7.157 1.00 30.06 H new ATOM 541 N GLU A 34 4.325 7.365 -8.842 1.00 10.11 N ATOM 542 CA GLU A 34 5.636 7.653 -8.349 1.00 10.07 C ATOM 543 C GLU A 34 6.732 7.120 -9.206 1.00 9.32 C ATOM 544 O GLU A 34 7.786 7.739 -9.343 1.00 11.61 O ATOM 545 CB GLU A 34 5.741 7.122 -6.909 1.00 14.77 C ATOM 546 CG GLU A 34 4.929 7.922 -5.888 1.00 18.75 C ATOM 547 CD GLU A 34 5.271 9.402 -5.784 1.00 22.28 C ATOM 548 OE1 GLU A 34 6.465 9.800 -5.745 1.00 21.95 O ATOM 549 OE2 GLU A 34 4.356 10.228 -5.524 1.00 25.19 O ATOM 0 H GLU A 34 4.091 6.383 -8.695 1.00 10.11 H new ATOM 0 HA GLU A 34 5.771 8.734 -8.368 1.00 10.07 H new ATOM 0 HB2 GLU A 34 5.407 6.085 -6.890 1.00 14.77 H new ATOM 0 HB3 GLU A 34 6.788 7.125 -6.607 1.00 14.77 H new ATOM 0 HG2 GLU A 34 3.872 7.829 -6.139 1.00 18.75 H new ATOM 0 HG3 GLU A 34 5.065 7.467 -4.907 1.00 18.75 H new ATOM 556 N GLY A 35 6.489 5.967 -9.855 1.00 7.22 N ATOM 557 CA GLY A 35 7.385 5.192 -10.656 1.00 6.29 C ATOM 558 C GLY A 35 8.359 4.401 -9.854 1.00 6.93 C ATOM 559 O GLY A 35 9.574 4.568 -9.952 1.00 7.41 O ATOM 0 H GLY A 35 5.566 5.535 -9.812 1.00 7.22 H new ATOM 0 HA2 GLY A 35 6.806 4.514 -11.283 1.00 6.29 H new ATOM 0 HA3 GLY A 35 7.931 5.857 -11.325 1.00 6.29 H new ATOM 563 N ILE A 36 7.831 3.553 -8.954 1.00 5.86 N ATOM 564 CA ILE A 36 8.580 2.724 -8.061 1.00 6.07 C ATOM 565 C ILE A 36 8.337 1.344 -8.568 1.00 6.36 C ATOM 566 O ILE A 36 7.185 0.918 -8.647 1.00 6.18 O ATOM 567 CB ILE A 36 8.155 2.763 -6.623 1.00 7.47 C ATOM 568 CG1 ILE A 36 8.202 4.205 -6.089 1.00 8.52 C ATOM 569 CG2 ILE A 36 9.072 1.860 -5.782 1.00 7.36 C ATOM 570 CD1 ILE A 36 7.860 4.513 -4.632 1.00 9.49 C ATOM 0 H ILE A 36 6.823 3.440 -8.843 1.00 5.86 H new ATOM 0 HA ILE A 36 9.615 3.066 -8.055 1.00 6.07 H new ATOM 0 HB ILE A 36 7.130 2.398 -6.550 1.00 7.47 H new ATOM 0 HG12 ILE A 36 9.210 4.579 -6.267 1.00 8.52 H new ATOM 0 HG13 ILE A 36 7.528 4.797 -6.708 1.00 8.52 H new ATOM 0 HG21 ILE A 36 8.758 1.893 -4.739 1.00 7.36 H new ATOM 0 HG22 ILE A 36 9.008 0.835 -6.148 1.00 7.36 H new ATOM 0 HG23 ILE A 36 10.101 2.211 -5.862 1.00 7.36 H new ATOM 0 HD11 ILE A 36 7.953 5.585 -4.455 1.00 9.49 H new ATOM 0 HD12 ILE A 36 6.838 4.198 -4.424 1.00 9.49 H new ATOM 0 HD13 ILE A 36 8.546 3.976 -3.976 1.00 9.49 H new ATOM 582 N PRO A 37 9.285 0.521 -8.906 1.00 8.65 N ATOM 583 CA PRO A 37 9.064 -0.837 -9.308 1.00 9.18 C ATOM 584 C PRO A 37 8.422 -1.743 -8.314 1.00 9.85 C ATOM 585 O PRO A 37 8.796 -1.643 -7.146 1.00 8.51 O ATOM 586 CB PRO A 37 10.398 -1.462 -9.709 1.00 11.42 C ATOM 587 CG PRO A 37 11.166 -0.189 -10.098 1.00 9.27 C ATOM 588 CD PRO A 37 10.632 0.964 -9.233 1.00 8.33 C ATOM 0 HA PRO A 37 8.350 -0.753 -10.127 1.00 9.18 H new ATOM 0 HB2 PRO A 37 10.871 -2.003 -8.889 1.00 11.42 H new ATOM 0 HB3 PRO A 37 10.300 -2.162 -10.538 1.00 11.42 H new ATOM 0 HG2 PRO A 37 12.236 -0.324 -9.937 1.00 9.27 H new ATOM 0 HG3 PRO A 37 11.028 0.032 -11.156 1.00 9.27 H new ATOM 0 HD2 PRO A 37 11.237 1.113 -8.339 1.00 8.33 H new ATOM 0 HD3 PRO A 37 10.627 1.909 -9.776 1.00 8.33 H new ATOM 596 N PRO A 38 7.516 -2.648 -8.537 1.00 8.71 N ATOM 597 CA PRO A 38 6.825 -3.447 -7.567 1.00 9.08 C ATOM 598 C PRO A 38 7.761 -4.346 -6.834 1.00 9.28 C ATOM 599 O PRO A 38 7.428 -4.868 -5.771 1.00 6.50 O ATOM 600 CB PRO A 38 5.723 -4.210 -8.298 1.00 10.31 C ATOM 601 CG PRO A 38 6.164 -4.188 -9.770 1.00 10.81 C ATOM 602 CD PRO A 38 7.350 -3.215 -9.866 1.00 12.00 C ATOM 0 HA PRO A 38 6.376 -2.816 -6.800 1.00 9.08 H new ATOM 0 HB2 PRO A 38 5.630 -5.230 -7.925 1.00 10.31 H new ATOM 0 HB3 PRO A 38 4.752 -3.732 -8.166 1.00 10.31 H new ATOM 0 HG2 PRO A 38 6.455 -5.185 -10.101 1.00 10.81 H new ATOM 0 HG3 PRO A 38 5.346 -3.864 -10.413 1.00 10.81 H new ATOM 0 HD2 PRO A 38 8.254 -3.733 -10.184 1.00 12.00 H new ATOM 0 HD3 PRO A 38 7.155 -2.434 -10.601 1.00 12.00 H new ATOM 610 N ASP A 39 8.993 -4.531 -7.342 1.00 11.20 N ATOM 611 CA ASP A 39 9.922 -5.360 -6.640 1.00 14.96 C ATOM 612 C ASP A 39 10.658 -4.742 -5.501 1.00 13.99 C ATOM 613 O ASP A 39 10.995 -5.432 -4.540 1.00 13.75 O ATOM 614 CB ASP A 39 10.691 -6.221 -7.656 1.00 24.16 C ATOM 615 CG ASP A 39 11.461 -5.412 -8.690 1.00 31.06 C ATOM 616 OD1 ASP A 39 12.486 -4.783 -8.315 1.00 34.22 O ATOM 617 OD2 ASP A 39 11.001 -5.357 -9.862 1.00 35.55 O ATOM 0 H ASP A 39 9.338 -4.122 -8.210 1.00 11.20 H new ATOM 0 HA ASP A 39 9.368 -6.061 -6.016 1.00 14.96 H new ATOM 0 HB2 ASP A 39 11.388 -6.864 -7.119 1.00 24.16 H new ATOM 0 HB3 ASP A 39 9.987 -6.874 -8.171 1.00 24.16 H new ATOM 622 N GLN A 40 10.762 -3.404 -5.595 1.00 11.60 N ATOM 623 CA GLN A 40 11.183 -2.581 -4.505 1.00 10.76 C ATOM 624 C GLN A 40 10.188 -2.338 -3.422 1.00 8.01 C ATOM 625 O GLN A 40 10.538 -2.085 -2.271 1.00 8.96 O ATOM 626 CB GLN A 40 11.564 -1.200 -5.063 1.00 11.14 C ATOM 627 CG GLN A 40 12.615 -1.337 -6.166 1.00 14.85 C ATOM 628 CD GLN A 40 13.379 -0.053 -6.456 1.00 16.11 C ATOM 629 OE1 GLN A 40 13.356 0.981 -5.790 1.00 20.52 O ATOM 630 NE2 GLN A 40 14.289 -0.235 -7.450 1.00 18.16 N ATOM 0 H GLN A 40 10.549 -2.884 -6.446 1.00 11.60 H new ATOM 0 HA GLN A 40 12.001 -3.137 -4.048 1.00 10.76 H new ATOM 0 HB2 GLN A 40 10.677 -0.704 -5.458 1.00 11.14 H new ATOM 0 HB3 GLN A 40 11.951 -0.571 -4.261 1.00 11.14 H new ATOM 0 HG2 GLN A 40 13.325 -2.114 -5.883 1.00 14.85 H new ATOM 0 HG3 GLN A 40 12.125 -1.671 -7.081 1.00 14.85 H new ATOM 0 HE21 GLN A 40 14.289 -1.101 -7.989 1.00 18.16 H new ATOM 0 HE22 GLN A 40 14.972 0.494 -7.656 1.00 18.16 H new ATOM 639 N GLN A 41 8.880 -2.429 -3.722 1.00 6.52 N ATOM 640 CA GLN A 41 7.801 -2.208 -2.810 1.00 3.87 C ATOM 641 C GLN A 41 7.451 -3.312 -1.873 1.00 4.79 C ATOM 642 O GLN A 41 6.955 -4.360 -2.283 1.00 6.34 O ATOM 643 CB GLN A 41 6.522 -2.030 -3.645 1.00 4.20 C ATOM 644 CG GLN A 41 6.569 -0.959 -4.737 1.00 3.20 C ATOM 645 CD GLN A 41 5.131 -0.822 -5.217 1.00 4.89 C ATOM 646 OE1 GLN A 41 4.175 -1.203 -4.543 1.00 5.21 O ATOM 647 NE2 GLN A 41 4.969 -0.234 -6.432 1.00 7.13 N ATOM 0 H GLN A 41 8.557 -2.672 -4.659 1.00 6.52 H new ATOM 0 HA GLN A 41 8.139 -1.362 -2.212 1.00 3.87 H new ATOM 0 HB2 GLN A 41 6.283 -2.985 -4.113 1.00 4.20 H new ATOM 0 HB3 GLN A 41 5.702 -1.792 -2.968 1.00 4.20 H new ATOM 0 HG2 GLN A 41 6.946 -0.014 -4.347 1.00 3.20 H new ATOM 0 HG3 GLN A 41 7.230 -1.255 -5.551 1.00 3.20 H new ATOM 0 HE21 GLN A 41 5.784 0.070 -6.964 1.00 7.13 H new ATOM 0 HE22 GLN A 41 4.032 -0.097 -6.811 1.00 7.13 H new ATOM 656 N ARG A 42 7.486 -3.096 -0.545 1.00 5.73 N ATOM 657 CA ARG A 42 6.754 -3.881 0.400 1.00 6.97 C ATOM 658 C ARG A 42 5.990 -2.934 1.259 1.00 7.15 C ATOM 659 O ARG A 42 6.366 -1.773 1.413 1.00 7.33 O ATOM 660 CB ARG A 42 7.728 -4.676 1.287 1.00 13.23 C ATOM 661 CG ARG A 42 7.084 -5.364 2.493 1.00 21.27 C ATOM 662 CD ARG A 42 7.955 -6.381 3.234 1.00 26.14 C ATOM 663 NE ARG A 42 8.074 -7.622 2.418 1.00 32.26 N ATOM 664 CZ ARG A 42 8.947 -8.640 2.667 1.00 34.32 C ATOM 665 NH1 ARG A 42 9.755 -8.648 3.768 1.00 35.30 N ATOM 666 NH2 ARG A 42 8.989 -9.743 1.864 1.00 36.39 N ATOM 0 H ARG A 42 8.040 -2.354 -0.117 1.00 5.73 H new ATOM 0 HA ARG A 42 6.094 -4.579 -0.115 1.00 6.97 H new ATOM 0 HB2 ARG A 42 8.219 -5.432 0.675 1.00 13.23 H new ATOM 0 HB3 ARG A 42 8.505 -4.001 1.644 1.00 13.23 H new ATOM 0 HG2 ARG A 42 6.776 -4.596 3.202 1.00 21.27 H new ATOM 0 HG3 ARG A 42 6.178 -5.869 2.157 1.00 21.27 H new ATOM 0 HD2 ARG A 42 8.943 -5.961 3.422 1.00 26.14 H new ATOM 0 HD3 ARG A 42 7.517 -6.612 4.205 1.00 26.14 H new ATOM 0 HE ARG A 42 7.456 -7.717 1.612 1.00 32.26 H new ATOM 0 HH11 ARG A 42 9.717 -7.877 4.434 1.00 35.30 H new ATOM 0 HH12 ARG A 42 10.397 -9.425 3.924 1.00 35.30 H new ATOM 0 HH21 ARG A 42 8.361 -9.815 1.063 1.00 36.39 H new ATOM 0 HH22 ARG A 42 9.648 -10.495 2.065 1.00 36.39 H new ATOM 680 N LEU A 43 4.839 -3.381 1.792 1.00 4.65 N ATOM 681 CA LEU A 43 3.873 -2.570 2.467 1.00 3.51 C ATOM 682 C LEU A 43 3.478 -3.178 3.768 1.00 5.56 C ATOM 683 O LEU A 43 3.306 -4.383 3.947 1.00 4.19 O ATOM 684 CB LEU A 43 2.661 -2.369 1.543 1.00 3.74 C ATOM 685 CG LEU A 43 2.987 -1.547 0.284 1.00 6.32 C ATOM 686 CD1 LEU A 43 2.103 -1.887 -0.928 1.00 6.41 C ATOM 687 CD2 LEU A 43 2.918 -0.031 0.534 1.00 9.55 C ATOM 0 H LEU A 43 4.568 -4.363 1.749 1.00 4.65 H new ATOM 0 HA LEU A 43 4.309 -1.598 2.697 1.00 3.51 H new ATOM 0 HB2 LEU A 43 2.276 -3.344 1.243 1.00 3.74 H new ATOM 0 HB3 LEU A 43 1.867 -1.870 2.099 1.00 3.74 H new ATOM 0 HG LEU A 43 4.012 -1.831 0.046 1.00 6.32 H new ATOM 0 HD11 LEU A 43 2.393 -1.266 -1.776 1.00 6.41 H new ATOM 0 HD12 LEU A 43 2.230 -2.938 -1.187 1.00 6.41 H new ATOM 0 HD13 LEU A 43 1.058 -1.698 -0.681 1.00 6.41 H new ATOM 0 HD21 LEU A 43 3.157 0.501 -0.387 1.00 9.55 H new ATOM 0 HD22 LEU A 43 1.913 0.239 0.859 1.00 9.55 H new ATOM 0 HD23 LEU A 43 3.635 0.243 1.308 1.00 9.55 H new ATOM 699 N ILE A 44 3.253 -2.294 4.756 1.00 4.58 N ATOM 700 CA ILE A 44 2.933 -2.530 6.130 1.00 5.55 C ATOM 701 C ILE A 44 1.617 -1.868 6.351 1.00 5.46 C ATOM 702 O ILE A 44 1.311 -0.828 5.770 1.00 6.04 O ATOM 703 CB ILE A 44 3.973 -1.942 7.037 1.00 6.80 C ATOM 704 CG1 ILE A 44 5.334 -2.628 6.829 1.00 10.31 C ATOM 705 CG2 ILE A 44 3.589 -2.029 8.524 1.00 7.39 C ATOM 706 CD1 ILE A 44 5.370 -4.142 7.035 1.00 13.90 C ATOM 0 H ILE A 44 3.302 -1.293 4.564 1.00 4.58 H new ATOM 0 HA ILE A 44 2.897 -3.597 6.351 1.00 5.55 H new ATOM 0 HB ILE A 44 4.042 -0.888 6.770 1.00 6.80 H new ATOM 0 HG12 ILE A 44 5.674 -2.413 5.816 1.00 10.31 H new ATOM 0 HG13 ILE A 44 6.053 -2.173 7.510 1.00 10.31 H new ATOM 0 HG21 ILE A 44 4.380 -1.588 9.130 1.00 7.39 H new ATOM 0 HG22 ILE A 44 2.658 -1.487 8.692 1.00 7.39 H new ATOM 0 HG23 ILE A 44 3.456 -3.074 8.805 1.00 7.39 H new ATOM 0 HD11 ILE A 44 6.381 -4.509 6.860 1.00 13.90 H new ATOM 0 HD12 ILE A 44 5.070 -4.378 8.056 1.00 13.90 H new ATOM 0 HD13 ILE A 44 4.684 -4.621 6.336 1.00 13.90 H new ATOM 718 N PHE A 45 0.751 -2.531 7.139 1.00 6.75 N ATOM 719 CA PHE A 45 -0.273 -1.812 7.830 1.00 4.70 C ATOM 720 C PHE A 45 0.105 -1.693 9.266 1.00 6.34 C ATOM 721 O PHE A 45 0.372 -0.632 9.829 1.00 5.45 O ATOM 722 CB PHE A 45 -1.640 -2.508 7.722 1.00 5.51 C ATOM 723 CG PHE A 45 -2.696 -1.959 8.619 1.00 5.98 C ATOM 724 CD1 PHE A 45 -3.388 -0.816 8.295 1.00 6.86 C ATOM 725 CD2 PHE A 45 -3.143 -2.676 9.704 1.00 5.87 C ATOM 726 CE1 PHE A 45 -4.338 -0.344 9.170 1.00 6.68 C ATOM 727 CE2 PHE A 45 -4.016 -2.191 10.649 1.00 6.64 C ATOM 728 CZ PHE A 45 -4.593 -0.976 10.364 1.00 6.84 C ATOM 0 H PHE A 45 0.758 -3.539 7.295 1.00 6.75 H new ATOM 0 HA PHE A 45 -0.364 -0.828 7.369 1.00 4.70 H new ATOM 0 HB2 PHE A 45 -1.987 -2.438 6.691 1.00 5.51 H new ATOM 0 HB3 PHE A 45 -1.511 -3.567 7.943 1.00 5.51 H new ATOM 0 HD1 PHE A 45 -3.189 -0.298 7.369 1.00 6.86 H new ATOM 0 HD2 PHE A 45 -2.784 -3.688 9.822 1.00 5.87 H new ATOM 0 HE1 PHE A 45 -4.897 0.544 8.913 1.00 6.68 H new ATOM 0 HE2 PHE A 45 -4.235 -2.731 11.558 1.00 6.64 H new ATOM 0 HZ PHE A 45 -5.252 -0.514 11.084 1.00 6.84 H new ATOM 738 N ALA A 46 0.369 -2.857 9.887 1.00 6.53 N ATOM 739 CA ALA A 46 0.682 -2.967 11.278 1.00 7.15 C ATOM 740 C ALA A 46 1.527 -4.181 11.458 1.00 9.00 C ATOM 741 O ALA A 46 1.056 -5.317 11.475 1.00 11.15 O ATOM 742 CB ALA A 46 -0.643 -3.176 12.030 1.00 8.99 C ATOM 0 H ALA A 46 0.364 -3.754 9.402 1.00 6.53 H new ATOM 0 HA ALA A 46 1.202 -2.082 11.645 1.00 7.15 H new ATOM 0 HB1 ALA A 46 -0.445 -3.265 13.098 1.00 8.99 H new ATOM 0 HB2 ALA A 46 -1.300 -2.325 11.852 1.00 8.99 H new ATOM 0 HB3 ALA A 46 -1.124 -4.087 11.673 1.00 8.99 H new ATOM 748 N GLY A 47 2.823 -3.939 11.725 1.00 9.35 N ATOM 749 CA GLY A 47 3.829 -4.911 12.022 1.00 11.68 C ATOM 750 C GLY A 47 4.272 -5.779 10.895 1.00 11.14 C ATOM 751 O GLY A 47 5.403 -5.586 10.453 1.00 13.93 O ATOM 0 H GLY A 47 3.195 -2.989 11.733 1.00 9.35 H new ATOM 0 HA2 GLY A 47 4.702 -4.389 12.413 1.00 11.68 H new ATOM 0 HA3 GLY A 47 3.457 -5.553 12.821 1.00 11.68 H new ATOM 755 N LYS A 48 3.426 -6.705 10.410 1.00 10.47 N ATOM 756 CA LYS A 48 3.809 -7.633 9.392 1.00 8.82 C ATOM 757 C LYS A 48 3.427 -7.220 8.012 1.00 7.68 C ATOM 758 O LYS A 48 2.590 -6.348 7.787 1.00 6.47 O ATOM 759 CB LYS A 48 3.283 -9.063 9.601 1.00 9.74 C ATOM 760 CG LYS A 48 1.818 -9.149 10.035 1.00 14.14 C ATOM 761 CD LYS A 48 1.208 -10.552 10.028 1.00 16.32 C ATOM 762 CE LYS A 48 -0.218 -10.688 10.567 1.00 20.04 C ATOM 763 NZ LYS A 48 -0.312 -10.017 11.883 1.00 23.92 N ATOM 0 H LYS A 48 2.463 -6.811 10.729 1.00 10.47 H new ATOM 0 HA LYS A 48 4.895 -7.628 9.490 1.00 8.82 H new ATOM 0 HB2 LYS A 48 3.406 -9.620 8.672 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.900 -9.556 10.352 1.00 9.74 H new ATOM 0 HG2 LYS A 48 1.731 -8.740 11.041 1.00 14.14 H new ATOM 0 HG3 LYS A 48 1.225 -8.511 9.379 1.00 14.14 H new ATOM 0 HD2 LYS A 48 1.220 -10.923 9.003 1.00 16.32 H new ATOM 0 HD3 LYS A 48 1.855 -11.207 10.611 1.00 16.32 H new ATOM 0 HE2 LYS A 48 -0.927 -10.243 9.868 1.00 20.04 H new ATOM 0 HE3 LYS A 48 -0.483 -11.741 10.663 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 -1.208 -10.277 12.342 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 0.484 -10.316 12.483 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 -0.278 -8.986 11.750 1.00 23.92 H new ATOM 777 N GLN A 49 3.966 -7.878 6.970 1.00 8.89 N ATOM 778 CA GLN A 49 3.638 -7.744 5.585 1.00 7.18 C ATOM 779 C GLN A 49 2.281 -8.016 5.031 1.00 8.23 C ATOM 780 O GLN A 49 1.546 -8.924 5.414 1.00 9.70 O ATOM 781 CB GLN A 49 4.654 -8.441 4.665 1.00 11.67 C ATOM 782 CG GLN A 49 4.777 -9.959 4.815 1.00 15.82 C ATOM 783 CD GLN A 49 6.163 -10.445 4.416 1.00 20.21 C ATOM 784 OE1 GLN A 49 7.127 -10.316 5.170 1.00 23.23 O ATOM 785 NE2 GLN A 49 6.274 -11.093 3.226 1.00 20.67 N ATOM 0 H GLN A 49 4.702 -8.570 7.114 1.00 8.89 H new ATOM 0 HA GLN A 49 3.668 -6.654 5.587 1.00 7.18 H new ATOM 0 HB2 GLN A 49 4.387 -8.220 3.632 1.00 11.67 H new ATOM 0 HB3 GLN A 49 5.635 -7.999 4.842 1.00 11.67 H new ATOM 0 HG2 GLN A 49 4.574 -10.242 5.848 1.00 15.82 H new ATOM 0 HG3 GLN A 49 4.025 -10.450 4.196 1.00 15.82 H new ATOM 0 HE21 GLN A 49 5.460 -11.187 2.619 1.00 20.67 H new ATOM 0 HE22 GLN A 49 7.171 -11.485 2.941 1.00 20.67 H new ATOM 794 N LEU A 50 1.867 -7.140 4.098 1.00 6.51 N ATOM 795 CA LEU A 50 0.670 -7.246 3.323 1.00 7.41 C ATOM 796 C LEU A 50 0.783 -8.111 2.116 1.00 8.27 C ATOM 797 O LEU A 50 1.627 -7.865 1.255 1.00 8.34 O ATOM 798 CB LEU A 50 0.047 -5.892 2.942 1.00 7.13 C ATOM 799 CG LEU A 50 -0.205 -4.909 4.097 1.00 7.53 C ATOM 800 CD1 LEU A 50 -0.761 -3.583 3.553 1.00 9.11 C ATOM 801 CD2 LEU A 50 -1.137 -5.651 5.070 1.00 8.14 C ATOM 0 H LEU A 50 2.404 -6.303 3.871 1.00 6.51 H new ATOM 0 HA LEU A 50 -0.010 -7.746 4.013 1.00 7.41 H new ATOM 0 HB2 LEU A 50 0.700 -5.407 2.216 1.00 7.13 H new ATOM 0 HB3 LEU A 50 -0.902 -6.081 2.440 1.00 7.13 H new ATOM 0 HG LEU A 50 0.700 -4.617 4.629 1.00 7.53 H new ATOM 0 HD11 LEU A 50 -0.935 -2.895 4.380 1.00 9.11 H new ATOM 0 HD12 LEU A 50 -0.042 -3.144 2.861 1.00 9.11 H new ATOM 0 HD13 LEU A 50 -1.700 -3.769 3.031 1.00 9.11 H new ATOM 0 HD21 LEU A 50 -1.360 -5.008 5.921 1.00 8.14 H new ATOM 0 HD22 LEU A 50 -2.064 -5.911 4.559 1.00 8.14 H new ATOM 0 HD23 LEU A 50 -0.648 -6.560 5.420 1.00 8.14 H new ATOM 813 N GLU A 51 -0.001 -9.193 1.961 1.00 9.43 N ATOM 814 CA GLU A 51 0.182 -10.084 0.858 1.00 11.90 C ATOM 815 C GLU A 51 -0.635 -9.634 -0.304 1.00 11.49 C ATOM 816 O GLU A 51 -1.636 -8.934 -0.157 1.00 9.88 O ATOM 817 CB GLU A 51 -0.134 -11.530 1.278 1.00 16.56 C ATOM 818 CG GLU A 51 0.787 -12.030 2.392 1.00 26.06 C ATOM 819 CD GLU A 51 0.805 -13.549 2.485 1.00 29.86 C ATOM 820 OE1 GLU A 51 -0.294 -14.090 2.780 1.00 33.44 O ATOM 821 OE2 GLU A 51 1.864 -14.197 2.272 1.00 32.13 O ATOM 0 H GLU A 51 -0.757 -9.450 2.595 1.00 9.43 H new ATOM 0 HA GLU A 51 1.226 -10.067 0.545 1.00 11.90 H new ATOM 0 HB2 GLU A 51 -1.170 -11.590 1.613 1.00 16.56 H new ATOM 0 HB3 GLU A 51 -0.041 -12.185 0.412 1.00 16.56 H new ATOM 0 HG2 GLU A 51 1.799 -11.667 2.215 1.00 26.06 H new ATOM 0 HG3 GLU A 51 0.461 -11.613 3.345 1.00 26.06 H new ATOM 828 N ASP A 52 -0.159 -10.046 -1.492 1.00 12.71 N ATOM 829 CA ASP A 52 -0.436 -9.453 -2.764 1.00 16.56 C ATOM 830 C ASP A 52 -1.876 -9.524 -3.138 1.00 15.83 C ATOM 831 O ASP A 52 -2.456 -8.480 -3.434 1.00 17.21 O ATOM 832 CB ASP A 52 0.489 -10.140 -3.782 1.00 21.05 C ATOM 833 CG ASP A 52 1.958 -9.955 -3.427 1.00 25.12 C ATOM 834 OD1 ASP A 52 2.364 -8.762 -3.416 1.00 25.82 O ATOM 835 OD2 ASP A 52 2.642 -10.999 -3.261 1.00 28.37 O ATOM 0 H ASP A 52 0.463 -10.850 -1.568 1.00 12.71 H new ATOM 0 HA ASP A 52 -0.234 -8.382 -2.736 1.00 16.56 H new ATOM 0 HB2 ASP A 52 0.257 -11.204 -3.824 1.00 21.05 H new ATOM 0 HB3 ASP A 52 0.301 -9.733 -4.776 1.00 21.05 H new ATOM 840 N GLY A 53 -2.501 -10.715 -3.128 1.00 15.00 N ATOM 841 CA GLY A 53 -3.842 -10.808 -3.615 1.00 11.77 C ATOM 842 C GLY A 53 -4.873 -10.947 -2.548 1.00 11.10 C ATOM 843 O GLY A 53 -5.776 -11.762 -2.729 1.00 11.25 O ATOM 0 H GLY A 53 -2.094 -11.588 -2.794 1.00 15.00 H new ATOM 0 HA2 GLY A 53 -4.064 -9.919 -4.205 1.00 11.77 H new ATOM 0 HA3 GLY A 53 -3.914 -11.663 -4.287 1.00 11.77 H new ATOM 847 N ARG A 54 -4.678 -10.277 -1.398 1.00 8.53 N ATOM 848 CA ARG A 54 -5.687 -10.268 -0.384 1.00 9.05 C ATOM 849 C ARG A 54 -6.272 -8.898 -0.420 1.00 8.96 C ATOM 850 O ARG A 54 -5.571 -8.018 -0.914 1.00 11.60 O ATOM 851 CB ARG A 54 -5.062 -10.486 1.004 1.00 7.97 C ATOM 852 CG ARG A 54 -4.357 -11.829 1.204 1.00 9.62 C ATOM 853 CD ARG A 54 -4.075 -12.207 2.659 1.00 12.20 C ATOM 854 NE ARG A 54 -3.129 -13.347 2.828 1.00 18.23 N ATOM 855 CZ ARG A 54 -3.508 -14.482 3.485 1.00 22.08 C ATOM 856 NH1 ARG A 54 -4.780 -14.938 3.679 1.00 23.38 N ATOM 857 NH2 ARG A 54 -2.463 -15.254 3.903 1.00 25.50 N ATOM 0 H ARG A 54 -3.835 -9.749 -1.172 1.00 8.53 H new ATOM 0 HA ARG A 54 -6.421 -11.055 -0.557 1.00 9.05 H new ATOM 0 HB2 ARG A 54 -4.344 -9.687 1.190 1.00 7.97 H new ATOM 0 HB3 ARG A 54 -5.846 -10.391 1.755 1.00 7.97 H new ATOM 0 HG2 ARG A 54 -4.967 -12.612 0.754 1.00 9.62 H new ATOM 0 HG3 ARG A 54 -3.412 -11.809 0.661 1.00 9.62 H new ATOM 0 HD2 ARG A 54 -3.671 -11.336 3.176 1.00 12.20 H new ATOM 0 HD3 ARG A 54 -5.018 -12.458 3.145 1.00 12.20 H new ATOM 0 HE ARG A 54 -2.185 -13.278 2.447 1.00 18.23 H new ATOM 0 HH11 ARG A 54 -5.572 -14.410 3.313 1.00 23.38 H new ATOM 0 HH12 ARG A 54 -4.938 -15.807 4.190 1.00 23.38 H new ATOM 0 HH21 ARG A 54 -1.505 -14.961 3.714 1.00 25.50 H new ATOM 0 HH22 ARG A 54 -2.640 -16.124 4.404 1.00 25.50 H new ATOM 871 N THR A 55 -7.578 -8.772 -0.120 1.00 9.05 N ATOM 872 CA THR A 55 -8.287 -7.530 -0.142 1.00 9.03 C ATOM 873 C THR A 55 -8.008 -6.699 1.063 1.00 8.15 C ATOM 874 O THR A 55 -7.496 -7.152 2.085 1.00 5.91 O ATOM 875 CB THR A 55 -9.752 -7.536 -0.465 1.00 11.15 C ATOM 876 OG1 THR A 55 -10.528 -8.130 0.565 1.00 11.95 O ATOM 877 CG2 THR A 55 -10.001 -8.333 -1.757 1.00 11.71 C ATOM 0 H THR A 55 -8.161 -9.565 0.148 1.00 9.05 H new ATOM 0 HA THR A 55 -7.858 -7.070 -1.032 1.00 9.03 H new ATOM 0 HB THR A 55 -10.052 -6.494 -0.578 1.00 11.15 H new ATOM 0 HG1 THR A 55 -11.475 -8.111 0.313 1.00 11.95 H new ATOM 0 HG21 THR A 55 -11.067 -8.333 -1.985 1.00 11.71 H new ATOM 0 HG22 THR A 55 -9.454 -7.873 -2.580 1.00 11.71 H new ATOM 0 HG23 THR A 55 -9.659 -9.359 -1.623 1.00 11.71 H new ATOM 885 N LEU A 56 -8.478 -5.442 0.980 1.00 6.91 N ATOM 886 CA LEU A 56 -8.363 -4.450 2.003 1.00 8.29 C ATOM 887 C LEU A 56 -9.366 -4.728 3.069 1.00 8.05 C ATOM 888 O LEU A 56 -9.137 -4.404 4.234 1.00 10.17 O ATOM 889 CB LEU A 56 -8.415 -2.966 1.601 1.00 6.60 C ATOM 890 CG LEU A 56 -7.258 -2.472 0.717 1.00 7.73 C ATOM 891 CD1 LEU A 56 -7.560 -1.069 0.165 1.00 8.64 C ATOM 892 CD2 LEU A 56 -5.881 -2.474 1.404 1.00 9.85 C ATOM 0 H LEU A 56 -8.966 -5.099 0.152 1.00 6.91 H new ATOM 0 HA LEU A 56 -7.334 -4.560 2.345 1.00 8.29 H new ATOM 0 HB2 LEU A 56 -9.352 -2.784 1.075 1.00 6.60 H new ATOM 0 HB3 LEU A 56 -8.437 -2.363 2.509 1.00 6.60 H new ATOM 0 HG LEU A 56 -7.192 -3.196 -0.096 1.00 7.73 H new ATOM 0 HD11 LEU A 56 -6.730 -0.737 -0.458 1.00 8.64 H new ATOM 0 HD12 LEU A 56 -8.471 -1.101 -0.432 1.00 8.64 H new ATOM 0 HD13 LEU A 56 -7.693 -0.373 0.993 1.00 8.64 H new ATOM 0 HD21 LEU A 56 -5.126 -2.111 0.707 1.00 9.85 H new ATOM 0 HD22 LEU A 56 -5.910 -1.824 2.279 1.00 9.85 H new ATOM 0 HD23 LEU A 56 -5.631 -3.489 1.714 1.00 9.85 H new ATOM 904 N SER A 57 -10.506 -5.311 2.659 1.00 8.92 N ATOM 905 CA SER A 57 -11.662 -5.731 3.390 1.00 9.00 C ATOM 906 C SER A 57 -11.315 -6.859 4.299 1.00 9.44 C ATOM 907 O SER A 57 -11.578 -6.774 5.498 1.00 10.91 O ATOM 908 CB SER A 57 -12.909 -6.043 2.546 1.00 10.32 C ATOM 909 OG SER A 57 -14.043 -6.051 3.400 1.00 13.59 O ATOM 0 H SER A 57 -10.629 -5.515 1.667 1.00 8.92 H new ATOM 0 HA SER A 57 -11.962 -4.862 3.976 1.00 9.00 H new ATOM 0 HB2 SER A 57 -13.031 -5.296 1.761 1.00 10.32 H new ATOM 0 HB3 SER A 57 -12.800 -7.009 2.053 1.00 10.32 H new ATOM 0 HG SER A 57 -14.847 -6.247 2.875 1.00 13.59 H new ATOM 915 N ASP A 58 -10.645 -7.936 3.850 1.00 9.11 N ATOM 916 CA ASP A 58 -10.159 -9.035 4.624 1.00 7.91 C ATOM 917 C ASP A 58 -9.238 -8.703 5.747 1.00 9.12 C ATOM 918 O ASP A 58 -9.345 -9.266 6.835 1.00 8.61 O ATOM 919 CB ASP A 58 -9.441 -9.836 3.525 1.00 8.41 C ATOM 920 CG ASP A 58 -9.013 -11.200 4.046 1.00 11.50 C ATOM 921 OD1 ASP A 58 -9.853 -11.950 4.612 1.00 11.70 O ATOM 922 OD2 ASP A 58 -7.793 -11.487 3.919 1.00 10.05 O ATOM 0 H ASP A 58 -10.426 -8.045 2.860 1.00 9.11 H new ATOM 0 HA ASP A 58 -10.960 -9.541 5.164 1.00 7.91 H new ATOM 0 HB2 ASP A 58 -10.102 -9.960 2.667 1.00 8.41 H new ATOM 0 HB3 ASP A 58 -8.568 -9.284 3.177 1.00 8.41 H new ATOM 927 N TYR A 59 -8.301 -7.787 5.442 1.00 7.97 N ATOM 928 CA TYR A 59 -7.376 -7.299 6.417 1.00 8.45 C ATOM 929 C TYR A 59 -8.083 -6.449 7.416 1.00 10.98 C ATOM 930 O TYR A 59 -7.544 -6.259 8.505 1.00 12.95 O ATOM 931 CB TYR A 59 -6.279 -6.471 5.727 1.00 7.94 C ATOM 932 CG TYR A 59 -5.247 -7.395 5.177 1.00 6.91 C ATOM 933 CD1 TYR A 59 -4.499 -8.112 6.080 1.00 6.98 C ATOM 934 CD2 TYR A 59 -4.782 -7.295 3.887 1.00 4.59 C ATOM 935 CE1 TYR A 59 -3.457 -8.902 5.653 1.00 6.52 C ATOM 936 CE2 TYR A 59 -3.777 -8.108 3.416 1.00 5.39 C ATOM 937 CZ TYR A 59 -3.112 -8.900 4.322 1.00 6.76 C ATOM 938 OH TYR A 59 -1.934 -9.627 4.053 1.00 7.63 O ATOM 0 H TYR A 59 -8.184 -7.382 4.513 1.00 7.97 H new ATOM 0 HA TYR A 59 -6.924 -8.150 6.927 1.00 8.45 H new ATOM 0 HB2 TYR A 59 -6.709 -5.868 4.927 1.00 7.94 H new ATOM 0 HB3 TYR A 59 -5.825 -5.780 6.438 1.00 7.94 H new ATOM 0 HD1 TYR A 59 -4.731 -8.055 7.133 1.00 6.98 H new ATOM 0 HD2 TYR A 59 -5.217 -6.559 3.227 1.00 4.59 H new ATOM 0 HE1 TYR A 59 -2.915 -9.518 6.356 1.00 6.52 H new ATOM 0 HE2 TYR A 59 -3.519 -8.124 2.367 1.00 5.39 H new ATOM 0 HH TYR A 59 -1.994 -10.513 4.468 1.00 7.63 H new ATOM 948 N ASN A 60 -9.195 -5.816 7.002 1.00 12.38 N ATOM 949 CA ASN A 60 -10.015 -4.880 7.708 1.00 13.94 C ATOM 950 C ASN A 60 -9.247 -3.610 7.839 1.00 14.16 C ATOM 951 O ASN A 60 -9.231 -2.911 8.851 1.00 14.26 O ATOM 952 CB ASN A 60 -10.594 -5.478 9.001 1.00 19.23 C ATOM 953 CG ASN A 60 -11.989 -4.886 9.136 1.00 22.65 C ATOM 954 OD1 ASN A 60 -12.210 -3.867 9.789 1.00 25.45 O ATOM 955 ND2 ASN A 60 -12.953 -5.445 8.356 1.00 24.09 N ATOM 0 H ASN A 60 -9.559 -5.982 6.064 1.00 12.38 H new ATOM 0 HA ASN A 60 -10.922 -4.637 7.154 1.00 13.94 H new ATOM 0 HB2 ASN A 60 -10.633 -6.566 8.947 1.00 19.23 H new ATOM 0 HB3 ASN A 60 -9.975 -5.224 9.862 1.00 19.23 H new ATOM 0 HD21 ASN A 60 -13.878 -5.019 8.305 1.00 24.09 H new ATOM 0 HD22 ASN A 60 -12.750 -6.290 7.822 1.00 24.09 H new ATOM 962 N ILE A 61 -8.673 -3.240 6.680 1.00 11.08 N ATOM 963 CA ILE A 61 -8.193 -1.918 6.421 1.00 11.78 C ATOM 964 C ILE A 61 -9.385 -1.092 6.081 1.00 13.74 C ATOM 965 O ILE A 61 -10.108 -1.312 5.110 1.00 14.60 O ATOM 966 CB ILE A 61 -7.139 -1.832 5.358 1.00 11.80 C ATOM 967 CG1 ILE A 61 -5.855 -2.557 5.795 1.00 11.56 C ATOM 968 CG2 ILE A 61 -6.733 -0.406 4.949 1.00 13.29 C ATOM 969 CD1 ILE A 61 -4.847 -2.719 4.658 1.00 11.42 C ATOM 0 H ILE A 61 -8.539 -3.881 5.898 1.00 11.08 H new ATOM 0 HA ILE A 61 -7.683 -1.550 7.311 1.00 11.78 H new ATOM 0 HB ILE A 61 -7.609 -2.305 4.495 1.00 11.80 H new ATOM 0 HG12 ILE A 61 -5.390 -2.002 6.610 1.00 11.56 H new ATOM 0 HG13 ILE A 61 -6.115 -3.541 6.187 1.00 11.56 H new ATOM 0 HG21 ILE A 61 -5.966 -0.454 4.176 1.00 13.29 H new ATOM 0 HG22 ILE A 61 -7.604 0.124 4.564 1.00 13.29 H new ATOM 0 HG23 ILE A 61 -6.340 0.124 5.817 1.00 13.29 H new ATOM 0 HD11 ILE A 61 -3.962 -3.237 5.027 1.00 11.42 H new ATOM 0 HD12 ILE A 61 -5.297 -3.299 3.852 1.00 11.42 H new ATOM 0 HD13 ILE A 61 -4.561 -1.736 4.282 1.00 11.42 H new ATOM 981 N GLN A 62 -9.624 -0.041 6.885 1.00 13.97 N ATOM 982 CA GLN A 62 -10.741 0.852 6.852 1.00 15.52 C ATOM 983 C GLN A 62 -10.346 2.190 6.329 1.00 13.94 C ATOM 984 O GLN A 62 -9.236 2.412 5.848 1.00 12.15 O ATOM 985 CB GLN A 62 -11.383 0.868 8.249 1.00 19.53 C ATOM 986 CG GLN A 62 -12.133 -0.409 8.633 1.00 26.38 C ATOM 987 CD GLN A 62 -12.905 -0.303 9.940 1.00 30.61 C ATOM 988 OE1 GLN A 62 -13.298 0.773 10.389 1.00 33.23 O ATOM 989 NE2 GLN A 62 -13.137 -1.488 10.567 1.00 32.71 N ATOM 0 H GLN A 62 -8.971 0.205 7.629 1.00 13.97 H new ATOM 0 HA GLN A 62 -11.501 0.508 6.150 1.00 15.52 H new ATOM 0 HB2 GLN A 62 -10.603 1.049 8.988 1.00 19.53 H new ATOM 0 HB3 GLN A 62 -12.075 1.708 8.304 1.00 19.53 H new ATOM 0 HG2 GLN A 62 -12.827 -0.665 7.833 1.00 26.38 H new ATOM 0 HG3 GLN A 62 -11.419 -1.229 8.710 1.00 26.38 H new ATOM 0 HE21 GLN A 62 -12.793 -2.357 10.159 1.00 32.71 H new ATOM 0 HE22 GLN A 62 -13.655 -1.507 11.445 1.00 32.71 H new ATOM 998 N LYS A 63 -11.282 3.156 6.317 1.00 11.73 N ATOM 999 CA LYS A 63 -11.159 4.447 5.716 1.00 11.97 C ATOM 1000 C LYS A 63 -10.213 5.374 6.398 1.00 10.41 C ATOM 1001 O LYS A 63 -10.225 5.407 7.628 1.00 9.59 O ATOM 1002 CB LYS A 63 -12.528 5.057 5.370 1.00 13.73 C ATOM 1003 CG LYS A 63 -13.456 5.421 6.530 1.00 16.98 C ATOM 1004 CD LYS A 63 -14.708 6.180 6.087 1.00 20.19 C ATOM 1005 CE LYS A 63 -15.742 6.241 7.213 1.00 23.42 C ATOM 1006 NZ LYS A 63 -17.016 6.879 6.813 1.00 25.97 N ATOM 0 H LYS A 63 -12.191 3.023 6.760 1.00 11.73 H new ATOM 0 HA LYS A 63 -10.661 4.278 4.761 1.00 11.97 H new ATOM 0 HB2 LYS A 63 -12.355 5.959 4.783 1.00 13.73 H new ATOM 0 HB3 LYS A 63 -13.056 4.354 4.726 1.00 13.73 H new ATOM 0 HG2 LYS A 63 -13.756 4.509 7.046 1.00 16.98 H new ATOM 0 HG3 LYS A 63 -12.907 6.028 7.249 1.00 16.98 H new ATOM 0 HD2 LYS A 63 -14.436 7.191 5.784 1.00 20.19 H new ATOM 0 HD3 LYS A 63 -15.144 5.692 5.215 1.00 20.19 H new ATOM 0 HE2 LYS A 63 -15.946 5.229 7.563 1.00 23.42 H new ATOM 0 HE3 LYS A 63 -15.319 6.790 8.054 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 -17.669 6.887 7.622 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 -16.834 7.856 6.506 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 -17.442 6.343 6.030 1.00 25.97 H new ATOM 1020 N GLU A 64 -9.368 6.063 5.610 1.00 10.04 N ATOM 1021 CA GLU A 64 -8.377 7.007 6.025 1.00 10.94 C ATOM 1022 C GLU A 64 -7.230 6.292 6.653 1.00 9.74 C ATOM 1023 O GLU A 64 -6.563 6.750 7.579 1.00 9.42 O ATOM 1024 CB GLU A 64 -8.891 8.176 6.884 1.00 18.31 C ATOM 1025 CG GLU A 64 -9.975 8.911 6.094 1.00 24.16 C ATOM 1026 CD GLU A 64 -10.328 10.249 6.728 1.00 29.00 C ATOM 1027 OE1 GLU A 64 -9.955 10.384 7.924 1.00 31.72 O ATOM 1028 OE2 GLU A 64 -10.936 11.172 6.122 1.00 32.61 O ATOM 0 H GLU A 64 -9.381 5.948 4.597 1.00 10.04 H new ATOM 0 HA GLU A 64 -8.038 7.507 5.118 1.00 10.94 H new ATOM 0 HB2 GLU A 64 -9.293 7.806 7.827 1.00 18.31 H new ATOM 0 HB3 GLU A 64 -8.074 8.855 7.130 1.00 18.31 H new ATOM 0 HG2 GLU A 64 -9.633 9.072 5.072 1.00 24.16 H new ATOM 0 HG3 GLU A 64 -10.868 8.289 6.037 1.00 24.16 H new ATOM 1035 N SER A 65 -6.756 5.119 6.198 1.00 6.85 N ATOM 1036 CA SER A 65 -5.800 4.381 6.965 1.00 6.90 C ATOM 1037 C SER A 65 -4.418 4.714 6.520 1.00 4.72 C ATOM 1038 O SER A 65 -4.129 4.966 5.352 1.00 3.91 O ATOM 1039 CB SER A 65 -5.871 2.858 6.766 1.00 7.28 C ATOM 1040 OG SER A 65 -6.944 2.296 7.505 1.00 10.56 O ATOM 0 H SER A 65 -7.028 4.687 5.315 1.00 6.85 H new ATOM 0 HA SER A 65 -6.028 4.650 7.996 1.00 6.90 H new ATOM 0 HB2 SER A 65 -5.997 2.632 5.707 1.00 7.28 H new ATOM 0 HB3 SER A 65 -4.932 2.403 7.080 1.00 7.28 H new ATOM 0 HG SER A 65 -7.761 2.319 6.964 1.00 10.56 H new ATOM 1046 N THR A 66 -3.422 4.633 7.421 1.00 4.48 N ATOM 1047 CA THR A 66 -2.056 4.994 7.203 1.00 3.80 C ATOM 1048 C THR A 66 -1.353 3.712 6.916 1.00 4.60 C ATOM 1049 O THR A 66 -1.374 2.745 7.676 1.00 5.33 O ATOM 1050 CB THR A 66 -1.401 5.678 8.367 1.00 2.85 C ATOM 1051 OG1 THR A 66 -2.113 6.881 8.617 1.00 2.15 O ATOM 1052 CG2 THR A 66 0.058 6.046 8.050 1.00 3.40 C ATOM 0 H THR A 66 -3.585 4.291 8.368 1.00 4.48 H new ATOM 0 HA THR A 66 -2.004 5.719 6.391 1.00 3.80 H new ATOM 0 HB THR A 66 -1.413 5.006 9.225 1.00 2.85 H new ATOM 0 HG1 THR A 66 -1.707 7.350 9.376 1.00 2.15 H new ATOM 0 HG21 THR A 66 0.504 6.540 8.913 1.00 3.40 H new ATOM 0 HG22 THR A 66 0.620 5.141 7.819 1.00 3.40 H new ATOM 0 HG23 THR A 66 0.086 6.719 7.193 1.00 3.40 H new ATOM 1060 N LEU A 67 -0.671 3.586 5.763 1.00 4.17 N ATOM 1061 CA LEU A 67 0.209 2.481 5.538 1.00 3.85 C ATOM 1062 C LEU A 67 1.608 2.973 5.393 1.00 3.80 C ATOM 1063 O LEU A 67 1.903 4.068 4.916 1.00 5.54 O ATOM 1064 CB LEU A 67 0.038 1.734 4.205 1.00 7.18 C ATOM 1065 CG LEU A 67 -1.330 1.066 3.988 1.00 9.67 C ATOM 1066 CD1 LEU A 67 -2.306 1.952 3.195 1.00 11.66 C ATOM 1067 CD2 LEU A 67 -1.186 -0.301 3.298 1.00 8.12 C ATOM 0 H LEU A 67 -0.729 4.247 4.989 1.00 4.17 H new ATOM 0 HA LEU A 67 -0.014 1.833 6.386 1.00 3.85 H new ATOM 0 HB2 LEU A 67 0.212 2.437 3.390 1.00 7.18 H new ATOM 0 HB3 LEU A 67 0.811 0.969 4.136 1.00 7.18 H new ATOM 0 HG LEU A 67 -1.751 0.919 4.982 1.00 9.67 H new ATOM 0 HD11 LEU A 67 -3.255 1.429 3.072 1.00 11.66 H new ATOM 0 HD12 LEU A 67 -2.472 2.884 3.735 1.00 11.66 H new ATOM 0 HD13 LEU A 67 -1.883 2.172 2.215 1.00 11.66 H new ATOM 0 HD21 LEU A 67 -2.172 -0.745 3.160 1.00 8.12 H new ATOM 0 HD22 LEU A 67 -0.708 -0.170 2.327 1.00 8.12 H new ATOM 0 HD23 LEU A 67 -0.575 -0.958 3.917 1.00 8.12 H new ATOM 1079 N HIS A 68 2.562 2.133 5.832 1.00 2.94 N ATOM 1080 CA HIS A 68 3.964 2.349 5.659 1.00 4.17 C ATOM 1081 C HIS A 68 4.555 1.679 4.467 1.00 5.32 C ATOM 1082 O HIS A 68 4.559 0.461 4.290 1.00 7.70 O ATOM 1083 CB HIS A 68 4.830 2.022 6.887 1.00 5.57 C ATOM 1084 CG HIS A 68 4.946 3.177 7.837 1.00 9.95 C ATOM 1085 ND1 HIS A 68 3.894 3.550 8.649 1.00 13.74 N ATOM 1086 CD2 HIS A 68 5.957 3.998 8.226 1.00 12.79 C ATOM 1087 CE1 HIS A 68 4.321 4.556 9.458 1.00 14.75 C ATOM 1088 NE2 HIS A 68 5.591 4.848 9.250 1.00 16.30 N ATOM 0 H HIS A 68 2.347 1.268 6.328 1.00 2.94 H new ATOM 0 HA HIS A 68 3.992 3.427 5.501 1.00 4.17 H new ATOM 0 HB2 HIS A 68 4.402 1.167 7.411 1.00 5.57 H new ATOM 0 HB3 HIS A 68 5.826 1.727 6.556 1.00 5.57 H new ATOM 0 HD2 HIS A 68 6.941 3.986 7.781 1.00 12.79 H new ATOM 0 HE1 HIS A 68 3.696 5.056 10.183 1.00 14.75 H new ATOM 0 HE2 HIS A 68 6.166 5.539 9.732 1.00 16.30 H new ATOM 1096 N LEU A 69 5.184 2.403 3.524 1.00 5.29 N ATOM 1097 CA LEU A 69 5.939 1.869 2.434 1.00 3.97 C ATOM 1098 C LEU A 69 7.329 1.486 2.809 1.00 5.07 C ATOM 1099 O LEU A 69 8.104 2.368 3.177 1.00 4.34 O ATOM 1100 CB LEU A 69 5.797 2.717 1.159 1.00 6.08 C ATOM 1101 CG LEU A 69 6.678 2.466 -0.077 1.00 7.37 C ATOM 1102 CD1 LEU A 69 6.442 1.089 -0.720 1.00 9.96 C ATOM 1103 CD2 LEU A 69 6.480 3.552 -1.148 1.00 6.87 C ATOM 0 H LEU A 69 5.164 3.423 3.523 1.00 5.29 H new ATOM 0 HA LEU A 69 5.491 0.911 2.169 1.00 3.97 H new ATOM 0 HB2 LEU A 69 4.761 2.627 0.833 1.00 6.08 H new ATOM 0 HB3 LEU A 69 5.950 3.756 1.451 1.00 6.08 H new ATOM 0 HG LEU A 69 7.702 2.497 0.296 1.00 7.37 H new ATOM 0 HD11 LEU A 69 7.094 0.975 -1.586 1.00 9.96 H new ATOM 0 HD12 LEU A 69 6.663 0.306 0.006 1.00 9.96 H new ATOM 0 HD13 LEU A 69 5.402 1.008 -1.036 1.00 9.96 H new ATOM 0 HD21 LEU A 69 7.119 3.339 -2.005 1.00 6.87 H new ATOM 0 HD22 LEU A 69 5.438 3.563 -1.467 1.00 6.87 H new ATOM 0 HD23 LEU A 69 6.742 4.525 -0.732 1.00 6.87 H new ATOM 1115 N VAL A 70 7.743 0.207 2.775 1.00 4.29 N ATOM 1116 CA VAL A 70 9.039 -0.276 3.140 1.00 6.26 C ATOM 1117 C VAL A 70 9.781 -0.922 2.021 1.00 9.22 C ATOM 1118 O VAL A 70 9.152 -1.397 1.077 1.00 9.36 O ATOM 1119 CB VAL A 70 9.049 -1.088 4.402 1.00 8.69 C ATOM 1120 CG1 VAL A 70 8.501 -0.251 5.570 1.00 9.76 C ATOM 1121 CG2 VAL A 70 8.165 -2.335 4.237 1.00 8.54 C ATOM 0 H VAL A 70 7.125 -0.545 2.469 1.00 4.29 H new ATOM 0 HA VAL A 70 9.607 0.625 3.374 1.00 6.26 H new ATOM 0 HB VAL A 70 10.076 -1.388 4.609 1.00 8.69 H new ATOM 0 HG11 VAL A 70 8.512 -0.848 6.482 1.00 9.76 H new ATOM 0 HG12 VAL A 70 9.124 0.633 5.708 1.00 9.76 H new ATOM 0 HG13 VAL A 70 7.479 0.056 5.349 1.00 9.76 H new ATOM 0 HG21 VAL A 70 8.180 -2.916 5.159 1.00 8.54 H new ATOM 0 HG22 VAL A 70 7.142 -2.029 4.017 1.00 8.54 H new ATOM 0 HG23 VAL A 70 8.545 -2.945 3.417 1.00 8.54 H new ATOM 1131 N LEU A 71 11.123 -0.989 2.088 1.00 12.71 N ATOM 1132 CA LEU A 71 11.924 -1.639 1.098 1.00 16.06 C ATOM 1133 C LEU A 71 11.834 -3.125 1.162 1.00 18.09 C ATOM 1134 O LEU A 71 12.073 -3.702 2.222 1.00 19.26 O ATOM 1135 CB LEU A 71 13.346 -1.075 1.257 1.00 17.10 C ATOM 1136 CG LEU A 71 14.280 -1.527 0.122 1.00 19.37 C ATOM 1137 CD1 LEU A 71 13.945 -1.371 -1.371 1.00 19.57 C ATOM 1138 CD2 LEU A 71 15.651 -0.853 0.296 1.00 17.51 C ATOM 0 H LEU A 71 11.665 -0.581 2.850 1.00 12.71 H new ATOM 0 HA LEU A 71 11.560 -1.428 0.093 1.00 16.06 H new ATOM 0 HB2 LEU A 71 13.303 0.014 1.278 1.00 17.10 H new ATOM 0 HB3 LEU A 71 13.758 -1.396 2.214 1.00 17.10 H new ATOM 0 HG LEU A 71 14.194 -2.603 0.276 1.00 19.37 H new ATOM 0 HD11 LEU A 71 14.765 -1.766 -1.971 1.00 19.57 H new ATOM 0 HD12 LEU A 71 13.031 -1.920 -1.598 1.00 19.57 H new ATOM 0 HD13 LEU A 71 13.801 -0.316 -1.603 1.00 19.57 H new ATOM 0 HD21 LEU A 71 16.317 -1.170 -0.506 1.00 17.51 H new ATOM 0 HD22 LEU A 71 15.531 0.230 0.261 1.00 17.51 H new ATOM 0 HD23 LEU A 71 16.078 -1.140 1.257 1.00 17.51 H new ATOM 1150 N ARG A 72 11.427 -3.789 0.065 1.00 21.47 N ATOM 1151 CA ARG A 72 11.462 -5.204 -0.136 1.00 25.83 C ATOM 1152 C ARG A 72 12.807 -5.741 -0.485 1.00 27.74 C ATOM 1153 O ARG A 72 13.298 -5.441 -1.572 1.00 30.65 O ATOM 1154 CB ARG A 72 10.388 -5.645 -1.145 1.00 28.49 C ATOM 1155 CG ARG A 72 9.943 -7.099 -0.974 1.00 31.79 C ATOM 1156 CD ARG A 72 9.431 -7.730 -2.270 1.00 34.05 C ATOM 1157 NE ARG A 72 10.680 -7.936 -3.055 1.00 35.08 N ATOM 1158 CZ ARG A 72 10.660 -8.673 -4.203 1.00 34.67 C ATOM 1159 NH1 ARG A 72 9.586 -9.387 -4.650 1.00 35.02 N ATOM 1160 NH2 ARG A 72 11.792 -8.641 -4.967 1.00 34.97 N ATOM 0 H ARG A 72 11.044 -3.297 -0.742 1.00 21.47 H new ATOM 0 HA ARG A 72 11.229 -5.647 0.833 1.00 25.83 H new ATOM 0 HB2 ARG A 72 9.519 -4.994 -1.045 1.00 28.49 H new ATOM 0 HB3 ARG A 72 10.774 -5.509 -2.155 1.00 28.49 H new ATOM 0 HG2 ARG A 72 10.781 -7.686 -0.598 1.00 31.79 H new ATOM 0 HG3 ARG A 72 9.157 -7.145 -0.220 1.00 31.79 H new ATOM 0 HD2 ARG A 72 8.911 -8.670 -2.084 1.00 34.05 H new ATOM 0 HD3 ARG A 72 8.731 -7.076 -2.789 1.00 34.05 H new ATOM 0 HE ARG A 72 11.555 -7.524 -2.732 1.00 35.08 H new ATOM 0 HH11 ARG A 72 8.719 -9.393 -4.113 1.00 35.02 H new ATOM 0 HH12 ARG A 72 9.651 -9.914 -5.521 1.00 35.02 H new ATOM 0 HH21 ARG A 72 12.594 -8.086 -4.668 1.00 34.97 H new ATOM 0 HH22 ARG A 72 11.836 -9.172 -5.837 1.00 34.97 H new ATOM 1174 N LEU A 73 13.393 -6.576 0.391 1.00 28.93 N ATOM 1175 CA LEU A 73 14.677 -7.170 0.181 1.00 30.76 C ATOM 1176 C LEU A 73 14.521 -8.644 0.024 1.00 32.18 C ATOM 1177 O LEU A 73 14.832 -9.468 0.883 1.00 32.31 O ATOM 1178 CB LEU A 73 15.592 -6.962 1.400 1.00 30.53 C ATOM 1179 CG LEU A 73 15.644 -5.463 1.741 1.00 30.16 C ATOM 1180 CD1 LEU A 73 16.535 -5.293 2.983 1.00 29.11 C ATOM 1181 CD2 LEU A 73 16.146 -4.536 0.621 1.00 29.57 C ATOM 0 H LEU A 73 12.960 -6.847 1.274 1.00 28.93 H new ATOM 0 HA LEU A 73 15.110 -6.705 -0.704 1.00 30.76 H new ATOM 0 HB2 LEU A 73 15.217 -7.529 2.252 1.00 30.53 H new ATOM 0 HB3 LEU A 73 16.594 -7.334 1.186 1.00 30.53 H new ATOM 0 HG LEU A 73 14.612 -5.154 1.909 1.00 30.16 H new ATOM 0 HD11 LEU A 73 16.591 -4.237 3.249 1.00 29.11 H new ATOM 0 HD12 LEU A 73 16.111 -5.855 3.815 1.00 29.11 H new ATOM 0 HD13 LEU A 73 17.536 -5.666 2.766 1.00 29.11 H new ATOM 0 HD21 LEU A 73 16.140 -3.504 0.973 1.00 29.57 H new ATOM 0 HD22 LEU A 73 17.161 -4.819 0.342 1.00 29.57 H new ATOM 0 HD23 LEU A 73 15.493 -4.627 -0.247 1.00 29.57 H new ATOM 1193 N ARG A 74 14.102 -9.001 -1.203 1.00 33.82 N ATOM 1194 CA ARG A 74 13.915 -10.344 -1.655 1.00 35.33 C ATOM 1195 C ARG A 74 14.599 -10.554 -2.962 1.00 36.22 C ATOM 1196 O ARG A 74 14.910 -9.573 -3.636 1.00 36.70 O ATOM 1197 CB ARG A 74 12.462 -10.850 -1.658 1.00 36.91 C ATOM 1198 CG ARG A 74 11.745 -10.806 -0.307 1.00 38.62 C ATOM 1199 CD ARG A 74 12.306 -11.910 0.591 1.00 39.75 C ATOM 1200 NE ARG A 74 11.700 -13.213 0.196 1.00 41.13 N ATOM 1201 CZ ARG A 74 11.925 -14.324 0.955 1.00 41.91 C ATOM 1202 NH1 ARG A 74 12.934 -14.469 1.863 1.00 42.75 N ATOM 1203 NH2 ARG A 74 11.078 -15.352 0.656 1.00 41.93 N ATOM 0 H ARG A 74 13.881 -8.311 -1.921 1.00 33.82 H new ATOM 0 HA ARG A 74 14.389 -10.973 -0.902 1.00 35.33 H new ATOM 0 HB2 ARG A 74 11.891 -10.257 -2.372 1.00 36.91 H new ATOM 0 HB3 ARG A 74 12.455 -11.878 -2.020 1.00 36.91 H new ATOM 0 HG2 ARG A 74 11.885 -9.832 0.162 1.00 38.62 H new ATOM 0 HG3 ARG A 74 10.672 -10.942 -0.445 1.00 38.62 H new ATOM 0 HD2 ARG A 74 13.391 -11.956 0.498 1.00 39.75 H new ATOM 0 HD3 ARG A 74 12.085 -11.694 1.636 1.00 39.75 H new ATOM 0 HE ARG A 74 11.118 -13.274 -0.640 1.00 41.13 H new ATOM 0 HH11 ARG A 74 13.595 -13.708 2.016 1.00 42.75 H new ATOM 0 HH12 ARG A 74 13.027 -15.339 2.388 1.00 42.75 H new ATOM 0 HH21 ARG A 74 10.372 -15.236 -0.071 1.00 41.93 H new ATOM 0 HH22 ARG A 74 11.151 -16.236 1.160 1.00 41.93 H new ATOM 1217 N GLY A 75 14.674 -11.806 -3.448 1.00 36.31 N ATOM 1218 CA GLY A 75 15.215 -12.129 -4.732 1.00 36.07 C ATOM 1219 C GLY A 75 14.264 -12.751 -5.696 1.00 36.16 C ATOM 1220 O GLY A 75 14.134 -13.965 -5.848 1.00 36.26 O ATOM 0 H GLY A 75 14.347 -12.621 -2.930 1.00 36.31 H new ATOM 0 HA2 GLY A 75 15.612 -11.217 -5.178 1.00 36.07 H new ATOM 0 HA3 GLY A 75 16.056 -12.807 -4.591 1.00 36.07 H new ATOM 1224 N GLY A 76 13.418 -11.882 -6.276 1.00 36.05 N ATOM 1225 CA GLY A 76 12.244 -12.263 -6.998 1.00 36.19 C ATOM 1226 C GLY A 76 11.333 -11.045 -7.043 1.00 36.20 C ATOM 1227 O GLY A 76 11.824 -9.967 -7.473 1.00 36.13 O ATOM 1228 OXT GLY A 76 10.131 -11.116 -6.672 1.00 36.27 O ATOM 0 H GLY A 76 13.557 -10.872 -6.241 1.00 36.05 H new ATOM 0 HA2 GLY A 76 12.500 -12.590 -8.006 1.00 36.19 H new ATOM 0 HA3 GLY A 76 11.745 -13.100 -6.509 1.00 36.19 H new TER 1232 GLY A 76