USER MOD reduce.3.24.130724 H: found=0, std=0, add=645, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 646 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 Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ -161:sc= 0.11 (180deg=0.0432) USER MOD Single : A 24 SER OG : rot 180:sc= 0.0688 USER MOD Single : A 25 MET CE :methyl -152:sc= -1.66 (180deg=-4.91!) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 MET CE :methyl -173:sc= -0.102 (180deg=-0.222) USER MOD Single : A 43 THR OG1 : rot -46:sc= 1.19 USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 HIS :FLIP no HD1:sc= -0.122 F(o=-1.4,f=-0.12) USER MOD Single : A 49 GLN : amide:sc= -0.225 X(o=-0.23,f=-0.043) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 97:sc= 1.1 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot -74:sc= 1.18 USER MOD Single : A 79 GLN : amide:sc= -1.15 K(o=-1.1,f=-1.8!) USER MOD Single : A 83 SER OG : rot 180:sc= 0.538 USER MOD Single : A 85 GLN : amide:sc= 0.559 K(o=0.56,f=-11!) USER MOD Single : A 88 SER OG : rot 180:sc= -1.77! USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 15 7.418 -23.028 3.038 1.00 0.00 N ATOM 2 CA MET A 15 6.518 -21.875 2.749 1.00 0.00 C ATOM 3 C MET A 15 6.315 -21.008 3.994 1.00 0.00 C ATOM 4 O MET A 15 6.170 -21.532 5.100 1.00 0.00 O ATOM 5 CB MET A 15 5.170 -22.416 2.257 1.00 0.00 C ATOM 6 CG MET A 15 5.023 -22.410 0.742 1.00 0.00 C ATOM 7 SD MET A 15 3.595 -23.354 0.183 1.00 0.00 S ATOM 8 CE MET A 15 4.339 -24.957 -0.109 1.00 0.00 C ATOM 0 HA MET A 15 6.974 -21.249 1.982 1.00 0.00 H new ATOM 0 HB2 MET A 15 5.043 -23.436 2.621 1.00 0.00 H new ATOM 0 HB3 MET A 15 4.368 -21.820 2.693 1.00 0.00 H new ATOM 0 HG2 MET A 15 4.933 -21.381 0.393 1.00 0.00 H new ATOM 0 HG3 MET A 15 5.926 -22.822 0.291 1.00 0.00 H new ATOM 0 HE1 MET A 15 3.577 -25.653 -0.461 1.00 0.00 H new ATOM 0 HE2 MET A 15 5.121 -24.863 -0.863 1.00 0.00 H new ATOM 0 HE3 MET A 15 4.772 -25.331 0.819 1.00 0.00 H new ATOM 18 N MET A 16 6.309 -19.684 3.802 1.00 0.00 N ATOM 19 CA MET A 16 6.126 -18.734 4.905 1.00 0.00 C ATOM 20 C MET A 16 6.300 -17.291 4.423 1.00 0.00 C ATOM 21 O MET A 16 7.211 -16.999 3.649 1.00 0.00 O ATOM 22 CB MET A 16 7.121 -19.022 6.038 1.00 0.00 C ATOM 23 CG MET A 16 6.457 -19.379 7.360 1.00 0.00 C ATOM 24 SD MET A 16 7.079 -18.395 8.736 1.00 0.00 S ATOM 25 CE MET A 16 5.901 -18.820 10.015 1.00 0.00 C ATOM 0 H MET A 16 6.429 -19.245 2.889 1.00 0.00 H new ATOM 0 HA MET A 16 5.110 -18.857 5.281 1.00 0.00 H new ATOM 0 HB2 MET A 16 7.774 -19.841 5.737 1.00 0.00 H new ATOM 0 HB3 MET A 16 7.754 -18.147 6.184 1.00 0.00 H new ATOM 0 HG2 MET A 16 5.380 -19.234 7.272 1.00 0.00 H new ATOM 0 HG3 MET A 16 6.621 -20.436 7.571 1.00 0.00 H new ATOM 0 HE1 MET A 16 6.153 -18.288 10.933 1.00 0.00 H new ATOM 0 HE2 MET A 16 4.898 -18.537 9.695 1.00 0.00 H new ATOM 0 HE3 MET A 16 5.934 -19.894 10.197 1.00 0.00 H new ATOM 35 N LYS A 17 5.423 -16.397 4.890 1.00 0.00 N ATOM 36 CA LYS A 17 5.474 -14.979 4.516 1.00 0.00 C ATOM 37 C LYS A 17 5.421 -14.794 2.993 1.00 0.00 C ATOM 38 O LYS A 17 6.444 -14.566 2.347 1.00 0.00 O ATOM 39 CB LYS A 17 6.741 -14.325 5.088 1.00 0.00 C ATOM 40 CG LYS A 17 6.548 -13.726 6.474 1.00 0.00 C ATOM 41 CD LYS A 17 7.757 -13.974 7.365 1.00 0.00 C ATOM 42 CE LYS A 17 7.594 -15.244 8.184 1.00 0.00 C ATOM 43 NZ LYS A 17 8.779 -15.497 9.059 1.00 0.00 N ATOM 0 H LYS A 17 4.665 -16.631 5.531 1.00 0.00 H new ATOM 0 HA LYS A 17 4.596 -14.491 4.940 1.00 0.00 H new ATOM 0 HB2 LYS A 17 7.536 -15.070 5.131 1.00 0.00 H new ATOM 0 HB3 LYS A 17 7.074 -13.542 4.407 1.00 0.00 H new ATOM 0 HG2 LYS A 17 6.374 -12.654 6.386 1.00 0.00 H new ATOM 0 HG3 LYS A 17 5.660 -14.157 6.937 1.00 0.00 H new ATOM 0 HD2 LYS A 17 8.654 -14.049 6.750 1.00 0.00 H new ATOM 0 HD3 LYS A 17 7.898 -13.124 8.033 1.00 0.00 H new ATOM 0 HE2 LYS A 17 6.698 -15.167 8.800 1.00 0.00 H new ATOM 0 HE3 LYS A 17 7.449 -16.092 7.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 8.790 -16.496 9.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 9.650 -15.279 8.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 8.723 -14.892 9.903 1.00 0.00 H new ATOM 57 N LEU A 18 4.218 -14.892 2.427 1.00 0.00 N ATOM 58 CA LEU A 18 4.028 -14.736 0.984 1.00 0.00 C ATOM 59 C LEU A 18 2.543 -14.682 0.629 1.00 0.00 C ATOM 60 O LEU A 18 2.069 -13.694 0.066 1.00 0.00 O ATOM 61 CB LEU A 18 4.708 -15.887 0.226 1.00 0.00 C ATOM 62 CG LEU A 18 5.308 -15.515 -1.136 1.00 0.00 C ATOM 63 CD1 LEU A 18 4.282 -14.805 -2.003 1.00 0.00 C ATOM 64 CD2 LEU A 18 6.543 -14.645 -0.957 1.00 0.00 C ATOM 0 H LEU A 18 3.360 -15.079 2.946 1.00 0.00 H new ATOM 0 HA LEU A 18 4.487 -13.794 0.685 1.00 0.00 H new ATOM 0 HB2 LEU A 18 5.500 -16.295 0.854 1.00 0.00 H new ATOM 0 HB3 LEU A 18 3.978 -16.683 0.077 1.00 0.00 H new ATOM 0 HG LEU A 18 5.602 -16.436 -1.639 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.730 -14.551 -2.963 1.00 0.00 H new ATOM 0 HD12 LEU A 18 3.426 -15.460 -2.164 1.00 0.00 H new ATOM 0 HD13 LEU A 18 3.952 -13.894 -1.504 1.00 0.00 H new ATOM 0 HD21 LEU A 18 6.954 -14.392 -1.934 1.00 0.00 H new ATOM 0 HD22 LEU A 18 6.271 -13.731 -0.430 1.00 0.00 H new ATOM 0 HD23 LEU A 18 7.290 -15.188 -0.379 1.00 0.00 H new ATOM 76 N GLY A 19 1.817 -15.752 0.962 1.00 0.00 N ATOM 77 CA GLY A 19 0.390 -15.816 0.674 1.00 0.00 C ATOM 78 C GLY A 19 -0.044 -17.194 0.203 1.00 0.00 C ATOM 79 O GLY A 19 0.750 -18.138 0.215 1.00 0.00 O ATOM 0 H GLY A 19 2.194 -16.578 1.427 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -0.171 -15.547 1.569 1.00 0.00 H new ATOM 0 HA3 GLY A 19 0.143 -15.079 -0.090 1.00 0.00 H new ATOM 83 N LEU A 20 -1.307 -17.313 -0.211 1.00 0.00 N ATOM 84 CA LEU A 20 -1.841 -18.594 -0.687 1.00 0.00 C ATOM 85 C LEU A 20 -2.644 -18.427 -1.986 1.00 0.00 C ATOM 86 O LEU A 20 -3.510 -19.246 -2.303 1.00 0.00 O ATOM 87 CB LEU A 20 -2.714 -19.230 0.401 1.00 0.00 C ATOM 88 CG LEU A 20 -2.133 -20.494 1.041 1.00 0.00 C ATOM 89 CD1 LEU A 20 -2.534 -20.586 2.502 1.00 0.00 C ATOM 90 CD2 LEU A 20 -2.589 -21.733 0.287 1.00 0.00 C ATOM 0 H LEU A 20 -1.977 -16.544 -0.227 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.998 -19.250 -0.905 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.888 -18.492 1.184 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.685 -19.473 -0.030 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.046 -20.436 0.985 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.112 -21.491 2.939 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.158 -19.714 3.038 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.621 -20.619 2.580 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.166 -22.621 0.757 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.677 -21.793 0.311 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.251 -21.674 -0.748 1.00 0.00 H new ATOM 102 N VAL A 21 -2.350 -17.365 -2.740 1.00 0.00 N ATOM 103 CA VAL A 21 -3.045 -17.099 -3.999 1.00 0.00 C ATOM 104 C VAL A 21 -2.053 -16.949 -5.155 1.00 0.00 C ATOM 105 O VAL A 21 -1.605 -15.842 -5.472 1.00 0.00 O ATOM 106 CB VAL A 21 -3.922 -15.830 -3.904 1.00 0.00 C ATOM 107 CG1 VAL A 21 -4.767 -15.664 -5.158 1.00 0.00 C ATOM 108 CG2 VAL A 21 -4.808 -15.882 -2.666 1.00 0.00 C ATOM 0 H VAL A 21 -1.636 -16.677 -2.500 1.00 0.00 H new ATOM 0 HA VAL A 21 -3.691 -17.955 -4.193 1.00 0.00 H new ATOM 0 HB VAL A 21 -3.263 -14.966 -3.819 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -5.376 -14.765 -5.070 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -4.115 -15.577 -6.027 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -5.416 -16.532 -5.277 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.418 -14.980 -2.617 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -5.457 -16.756 -2.719 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -4.184 -15.947 -1.775 1.00 0.00 H new ATOM 118 N ARG A 22 -1.711 -18.079 -5.778 1.00 0.00 N ATOM 119 CA ARG A 22 -0.768 -18.092 -6.900 1.00 0.00 C ATOM 120 C ARG A 22 0.602 -17.534 -6.470 1.00 0.00 C ATOM 121 O ARG A 22 0.997 -17.682 -5.313 1.00 0.00 O ATOM 122 CB ARG A 22 -1.345 -17.299 -8.086 1.00 0.00 C ATOM 123 CG ARG A 22 -2.772 -17.690 -8.453 1.00 0.00 C ATOM 124 CD ARG A 22 -2.831 -18.444 -9.775 1.00 0.00 C ATOM 125 NE ARG A 22 -2.437 -19.848 -9.623 1.00 0.00 N ATOM 126 CZ ARG A 22 -2.608 -20.784 -10.548 1.00 0.00 C ATOM 127 NH1 ARG A 22 -3.172 -20.493 -11.704 1.00 0.00 N ATOM 128 NH2 ARG A 22 -2.212 -22.018 -10.312 1.00 0.00 N ATOM 0 H ARG A 22 -2.073 -18.998 -5.525 1.00 0.00 H new ATOM 0 HA ARG A 22 -0.618 -19.123 -7.219 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -1.320 -16.236 -7.846 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -0.703 -17.445 -8.955 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -3.194 -18.310 -7.662 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -3.389 -16.794 -8.518 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -3.843 -18.393 -10.177 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -2.175 -17.959 -10.499 1.00 0.00 H new ATOM 0 HE ARG A 22 -2.000 -20.125 -8.744 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -3.482 -19.540 -11.895 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -3.298 -21.221 -12.407 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -1.775 -22.252 -9.420 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -2.342 -22.740 -11.021 1.00 0.00 H new ATOM 142 N PHE A 23 1.325 -16.906 -7.399 1.00 0.00 N ATOM 143 CA PHE A 23 2.644 -16.343 -7.096 1.00 0.00 C ATOM 144 C PHE A 23 2.597 -14.813 -7.010 1.00 0.00 C ATOM 145 O PHE A 23 3.263 -14.211 -6.170 1.00 0.00 O ATOM 146 CB PHE A 23 3.658 -16.774 -8.161 1.00 0.00 C ATOM 147 CG PHE A 23 4.814 -17.562 -7.611 1.00 0.00 C ATOM 148 CD1 PHE A 23 5.908 -16.917 -7.056 1.00 0.00 C ATOM 149 CD2 PHE A 23 4.807 -18.947 -7.650 1.00 0.00 C ATOM 150 CE1 PHE A 23 6.973 -17.640 -6.551 1.00 0.00 C ATOM 151 CE2 PHE A 23 5.868 -19.674 -7.148 1.00 0.00 C ATOM 152 CZ PHE A 23 6.953 -19.020 -6.596 1.00 0.00 C ATOM 0 H PHE A 23 1.022 -16.774 -8.364 1.00 0.00 H new ATOM 0 HA PHE A 23 2.953 -16.726 -6.123 1.00 0.00 H new ATOM 0 HB2 PHE A 23 3.147 -17.373 -8.915 1.00 0.00 H new ATOM 0 HB3 PHE A 23 4.042 -15.887 -8.665 1.00 0.00 H new ATOM 0 HD1 PHE A 23 5.929 -15.838 -7.018 1.00 0.00 H new ATOM 0 HD2 PHE A 23 3.961 -19.464 -8.078 1.00 0.00 H new ATOM 0 HE1 PHE A 23 7.820 -17.126 -6.122 1.00 0.00 H new ATOM 0 HE2 PHE A 23 5.850 -20.753 -7.187 1.00 0.00 H new ATOM 0 HZ PHE A 23 7.783 -19.587 -6.201 1.00 0.00 H new ATOM 162 N SER A 24 1.817 -14.193 -7.897 1.00 0.00 N ATOM 163 CA SER A 24 1.690 -12.732 -7.945 1.00 0.00 C ATOM 164 C SER A 24 0.849 -12.162 -6.793 1.00 0.00 C ATOM 165 O SER A 24 0.853 -10.951 -6.572 1.00 0.00 O ATOM 166 CB SER A 24 1.076 -12.309 -9.284 1.00 0.00 C ATOM 167 OG SER A 24 0.114 -13.258 -9.726 1.00 0.00 O ATOM 0 H SER A 24 1.259 -14.682 -8.597 1.00 0.00 H new ATOM 0 HA SER A 24 2.696 -12.325 -7.839 1.00 0.00 H new ATOM 0 HB2 SER A 24 0.606 -11.331 -9.180 1.00 0.00 H new ATOM 0 HB3 SER A 24 1.862 -12.207 -10.032 1.00 0.00 H new ATOM 0 HG SER A 24 -0.265 -12.966 -10.581 1.00 0.00 H new ATOM 173 N MET A 25 0.124 -13.026 -6.069 1.00 0.00 N ATOM 174 CA MET A 25 -0.719 -12.587 -4.950 1.00 0.00 C ATOM 175 C MET A 25 -1.702 -11.492 -5.393 1.00 0.00 C ATOM 176 O MET A 25 -1.793 -10.429 -4.771 1.00 0.00 O ATOM 177 CB MET A 25 0.154 -12.090 -3.789 1.00 0.00 C ATOM 178 CG MET A 25 0.926 -13.199 -3.087 1.00 0.00 C ATOM 179 SD MET A 25 -0.125 -14.586 -2.612 1.00 0.00 S ATOM 180 CE MET A 25 1.011 -15.957 -2.812 1.00 0.00 C ATOM 0 H MET A 25 0.105 -14.032 -6.239 1.00 0.00 H new ATOM 0 HA MET A 25 -1.303 -13.442 -4.609 1.00 0.00 H new ATOM 0 HB2 MET A 25 0.860 -11.351 -4.167 1.00 0.00 H new ATOM 0 HB3 MET A 25 -0.479 -11.583 -3.061 1.00 0.00 H new ATOM 0 HG2 MET A 25 1.718 -13.557 -3.745 1.00 0.00 H new ATOM 0 HG3 MET A 25 1.409 -12.793 -2.198 1.00 0.00 H new ATOM 0 HE1 MET A 25 0.451 -16.862 -3.048 1.00 0.00 H new ATOM 0 HE2 MET A 25 1.706 -15.738 -3.623 1.00 0.00 H new ATOM 0 HE3 MET A 25 1.568 -16.106 -1.887 1.00 0.00 H new ATOM 190 N LEU A 26 -2.433 -11.768 -6.480 1.00 0.00 N ATOM 191 CA LEU A 26 -3.414 -10.828 -7.041 1.00 0.00 C ATOM 192 C LEU A 26 -4.211 -10.095 -5.955 1.00 0.00 C ATOM 193 O LEU A 26 -4.484 -8.901 -6.088 1.00 0.00 O ATOM 194 CB LEU A 26 -4.370 -11.570 -7.983 1.00 0.00 C ATOM 195 CG LEU A 26 -5.427 -10.696 -8.664 1.00 0.00 C ATOM 196 CD1 LEU A 26 -4.770 -9.671 -9.573 1.00 0.00 C ATOM 197 CD2 LEU A 26 -6.398 -11.559 -9.451 1.00 0.00 C ATOM 0 H LEU A 26 -2.362 -12.646 -6.995 1.00 0.00 H new ATOM 0 HA LEU A 26 -2.858 -10.073 -7.597 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -3.781 -12.067 -8.754 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.878 -12.351 -7.417 1.00 0.00 H new ATOM 0 HG LEU A 26 -5.982 -10.163 -7.892 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -5.538 -9.060 -10.047 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.111 -9.033 -8.985 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.189 -10.184 -10.340 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -7.144 -10.924 -9.930 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -5.854 -12.117 -10.213 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -6.895 -12.256 -8.776 1.00 0.00 H new ATOM 209 N LEU A 27 -4.575 -10.811 -4.887 1.00 0.00 N ATOM 210 CA LEU A 27 -5.336 -10.227 -3.775 1.00 0.00 C ATOM 211 C LEU A 27 -4.810 -8.839 -3.389 1.00 0.00 C ATOM 212 O LEU A 27 -5.592 -7.933 -3.090 1.00 0.00 O ATOM 213 CB LEU A 27 -5.287 -11.156 -2.561 1.00 0.00 C ATOM 214 CG LEU A 27 -6.512 -12.049 -2.387 1.00 0.00 C ATOM 215 CD1 LEU A 27 -6.467 -13.211 -3.361 1.00 0.00 C ATOM 216 CD2 LEU A 27 -6.603 -12.555 -0.958 1.00 0.00 C ATOM 0 H LEU A 27 -4.355 -11.800 -4.768 1.00 0.00 H new ATOM 0 HA LEU A 27 -6.367 -10.111 -4.108 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -4.403 -11.788 -2.641 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -5.166 -10.551 -1.663 1.00 0.00 H new ATOM 0 HG LEU A 27 -7.402 -11.457 -2.600 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -7.349 -13.837 -3.222 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -6.450 -12.830 -4.382 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -5.570 -13.803 -3.180 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -7.482 -13.190 -0.852 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -5.709 -13.130 -0.718 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -6.683 -11.708 -0.277 1.00 0.00 H new ATOM 228 N ALA A 28 -3.483 -8.682 -3.404 1.00 0.00 N ATOM 229 CA ALA A 28 -2.841 -7.409 -3.066 1.00 0.00 C ATOM 230 C ALA A 28 -3.502 -6.227 -3.789 1.00 0.00 C ATOM 231 O ALA A 28 -3.605 -5.129 -3.229 1.00 0.00 O ATOM 232 CB ALA A 28 -1.354 -7.471 -3.392 1.00 0.00 C ATOM 0 H ALA A 28 -2.829 -9.426 -3.648 1.00 0.00 H new ATOM 0 HA ALA A 28 -2.966 -7.246 -1.996 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -0.886 -6.520 -3.137 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -0.888 -8.271 -2.816 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -1.223 -7.667 -4.456 1.00 0.00 H new ATOM 238 N LEU A 29 -3.968 -6.459 -5.023 1.00 0.00 N ATOM 239 CA LEU A 29 -4.638 -5.417 -5.807 1.00 0.00 C ATOM 240 C LEU A 29 -5.749 -4.757 -4.988 1.00 0.00 C ATOM 241 O LEU A 29 -5.938 -3.539 -5.048 1.00 0.00 O ATOM 242 CB LEU A 29 -5.212 -6.006 -7.099 1.00 0.00 C ATOM 243 CG LEU A 29 -5.659 -4.976 -8.138 1.00 0.00 C ATOM 244 CD1 LEU A 29 -4.478 -4.506 -8.974 1.00 0.00 C ATOM 245 CD2 LEU A 29 -6.742 -5.557 -9.032 1.00 0.00 C ATOM 0 H LEU A 29 -3.893 -7.358 -5.498 1.00 0.00 H new ATOM 0 HA LEU A 29 -3.901 -4.657 -6.066 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -4.460 -6.653 -7.551 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -6.064 -6.637 -6.846 1.00 0.00 H new ATOM 0 HG LEU A 29 -6.069 -4.115 -7.609 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -4.819 -3.774 -9.706 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -3.731 -4.049 -8.325 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -4.036 -5.358 -9.491 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -7.048 -4.811 -9.765 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -6.355 -6.435 -9.548 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -7.601 -5.842 -8.425 1.00 0.00 H new ATOM 257 N ALA A 30 -6.464 -5.566 -4.201 1.00 0.00 N ATOM 258 CA ALA A 30 -7.530 -5.060 -3.345 1.00 0.00 C ATOM 259 C ALA A 30 -6.974 -4.016 -2.378 1.00 0.00 C ATOM 260 O ALA A 30 -7.598 -2.980 -2.144 1.00 0.00 O ATOM 261 CB ALA A 30 -8.187 -6.206 -2.584 1.00 0.00 C ATOM 0 H ALA A 30 -6.320 -6.574 -4.142 1.00 0.00 H new ATOM 0 HA ALA A 30 -8.289 -4.585 -3.967 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -8.981 -5.813 -1.949 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -8.608 -6.919 -3.293 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -7.442 -6.706 -1.966 1.00 0.00 H new ATOM 267 N LEU A 31 -5.776 -4.287 -1.851 1.00 0.00 N ATOM 268 CA LEU A 31 -5.104 -3.367 -0.937 1.00 0.00 C ATOM 269 C LEU A 31 -4.757 -2.072 -1.659 1.00 0.00 C ATOM 270 O LEU A 31 -5.106 -0.978 -1.205 1.00 0.00 O ATOM 271 CB LEU A 31 -3.831 -4.010 -0.381 1.00 0.00 C ATOM 272 CG LEU A 31 -3.803 -4.191 1.134 1.00 0.00 C ATOM 273 CD1 LEU A 31 -4.379 -5.544 1.515 1.00 0.00 C ATOM 274 CD2 LEU A 31 -2.385 -4.046 1.657 1.00 0.00 C ATOM 0 H LEU A 31 -5.252 -5.141 -2.045 1.00 0.00 H new ATOM 0 HA LEU A 31 -5.777 -3.143 -0.110 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -3.701 -4.985 -0.850 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -2.977 -3.399 -0.674 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.418 -3.415 1.590 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.352 -5.659 2.599 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.410 -5.611 1.168 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.788 -6.334 1.052 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.381 -4.178 2.739 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.749 -4.802 1.197 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.006 -3.054 1.411 1.00 0.00 H new ATOM 286 N VAL A 32 -4.081 -2.210 -2.802 1.00 0.00 N ATOM 287 CA VAL A 32 -3.696 -1.057 -3.616 1.00 0.00 C ATOM 288 C VAL A 32 -4.924 -0.201 -3.929 1.00 0.00 C ATOM 289 O VAL A 32 -4.930 1.009 -3.685 1.00 0.00 O ATOM 290 CB VAL A 32 -3.026 -1.487 -4.943 1.00 0.00 C ATOM 291 CG1 VAL A 32 -2.433 -0.283 -5.660 1.00 0.00 C ATOM 292 CG2 VAL A 32 -1.952 -2.539 -4.696 1.00 0.00 C ATOM 0 H VAL A 32 -3.789 -3.110 -3.184 1.00 0.00 H new ATOM 0 HA VAL A 32 -2.974 -0.480 -3.039 1.00 0.00 H new ATOM 0 HB VAL A 32 -3.794 -1.926 -5.580 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -1.967 -0.607 -6.590 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -3.223 0.435 -5.881 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -1.684 0.187 -5.023 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -1.497 -2.824 -5.645 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -1.188 -2.130 -4.035 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -2.402 -3.416 -4.231 1.00 0.00 H new ATOM 302 N VAL A 33 -5.969 -0.850 -4.449 1.00 0.00 N ATOM 303 CA VAL A 33 -7.216 -0.162 -4.777 1.00 0.00 C ATOM 304 C VAL A 33 -7.812 0.485 -3.528 1.00 0.00 C ATOM 305 O VAL A 33 -8.155 1.667 -3.543 1.00 0.00 O ATOM 306 CB VAL A 33 -8.249 -1.126 -5.404 1.00 0.00 C ATOM 307 CG1 VAL A 33 -9.615 -0.465 -5.515 1.00 0.00 C ATOM 308 CG2 VAL A 33 -7.775 -1.599 -6.770 1.00 0.00 C ATOM 0 H VAL A 33 -5.974 -1.850 -4.651 1.00 0.00 H new ATOM 0 HA VAL A 33 -6.980 0.610 -5.509 1.00 0.00 H new ATOM 0 HB VAL A 33 -8.344 -1.992 -4.749 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -10.323 -1.165 -5.959 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -9.962 -0.179 -4.522 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -9.540 0.423 -6.143 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -8.514 -2.277 -7.197 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -7.647 -0.740 -7.428 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -6.823 -2.120 -6.665 1.00 0.00 H new ATOM 318 N LEU A 34 -7.912 -0.288 -2.443 1.00 0.00 N ATOM 319 CA LEU A 34 -8.445 0.221 -1.179 1.00 0.00 C ATOM 320 C LEU A 34 -7.707 1.492 -0.770 1.00 0.00 C ATOM 321 O LEU A 34 -8.330 2.500 -0.432 1.00 0.00 O ATOM 322 CB LEU A 34 -8.325 -0.839 -0.075 1.00 0.00 C ATOM 323 CG LEU A 34 -9.614 -1.602 0.247 1.00 0.00 C ATOM 324 CD1 LEU A 34 -10.298 -2.074 -1.026 1.00 0.00 C ATOM 325 CD2 LEU A 34 -9.312 -2.783 1.155 1.00 0.00 C ATOM 0 H LEU A 34 -7.631 -1.268 -2.416 1.00 0.00 H new ATOM 0 HA LEU A 34 -9.500 0.455 -1.320 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -7.560 -1.559 -0.368 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -7.974 -0.353 0.835 1.00 0.00 H new ATOM 0 HG LEU A 34 -10.293 -0.924 0.765 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -11.210 -2.613 -0.770 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -10.547 -1.213 -1.646 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -9.628 -2.735 -1.575 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -10.236 -3.317 1.377 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -8.614 -3.456 0.657 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -8.869 -2.424 2.084 1.00 0.00 H new ATOM 337 N ALA A 35 -6.375 1.443 -0.826 1.00 0.00 N ATOM 338 CA ALA A 35 -5.549 2.597 -0.487 1.00 0.00 C ATOM 339 C ALA A 35 -5.927 3.799 -1.352 1.00 0.00 C ATOM 340 O ALA A 35 -6.159 4.896 -0.838 1.00 0.00 O ATOM 341 CB ALA A 35 -4.074 2.257 -0.655 1.00 0.00 C ATOM 0 H ALA A 35 -5.848 0.615 -1.103 1.00 0.00 H new ATOM 0 HA ALA A 35 -5.727 2.858 0.556 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -3.469 3.127 -0.399 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -3.815 1.428 0.003 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -3.882 1.973 -1.690 1.00 0.00 H new ATOM 347 N ILE A 36 -6.004 3.577 -2.667 1.00 0.00 N ATOM 348 CA ILE A 36 -6.373 4.634 -3.612 1.00 0.00 C ATOM 349 C ILE A 36 -7.768 5.185 -3.302 1.00 0.00 C ATOM 350 O ILE A 36 -7.967 6.400 -3.260 1.00 0.00 O ATOM 351 CB ILE A 36 -6.340 4.128 -5.073 1.00 0.00 C ATOM 352 CG1 ILE A 36 -4.937 3.638 -5.442 1.00 0.00 C ATOM 353 CG2 ILE A 36 -6.783 5.225 -6.032 1.00 0.00 C ATOM 354 CD1 ILE A 36 -4.920 2.687 -6.620 1.00 0.00 C ATOM 0 H ILE A 36 -5.815 2.674 -3.102 1.00 0.00 H new ATOM 0 HA ILE A 36 -5.637 5.430 -3.500 1.00 0.00 H new ATOM 0 HB ILE A 36 -7.034 3.292 -5.158 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -4.309 4.499 -5.671 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -4.495 3.142 -4.578 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -6.753 4.849 -7.054 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -7.800 5.532 -5.789 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -6.114 6.080 -5.940 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -3.894 2.381 -6.825 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -5.521 1.808 -6.387 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -5.332 3.187 -7.497 1.00 0.00 H new ATOM 366 N VAL A 37 -8.725 4.283 -3.076 1.00 0.00 N ATOM 367 CA VAL A 37 -10.100 4.675 -2.761 1.00 0.00 C ATOM 368 C VAL A 37 -10.145 5.497 -1.474 1.00 0.00 C ATOM 369 O VAL A 37 -10.717 6.588 -1.446 1.00 0.00 O ATOM 370 CB VAL A 37 -11.024 3.444 -2.614 1.00 0.00 C ATOM 371 CG1 VAL A 37 -12.451 3.872 -2.304 1.00 0.00 C ATOM 372 CG2 VAL A 37 -10.987 2.589 -3.872 1.00 0.00 C ATOM 0 H VAL A 37 -8.573 3.275 -3.105 1.00 0.00 H new ATOM 0 HA VAL A 37 -10.459 5.281 -3.593 1.00 0.00 H new ATOM 0 HB VAL A 37 -10.657 2.845 -1.780 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -13.082 2.989 -2.205 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -12.467 4.436 -1.371 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -12.827 4.498 -3.113 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -11.644 1.729 -3.747 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -11.322 3.181 -4.724 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -9.968 2.245 -4.048 1.00 0.00 H new ATOM 382 N VAL A 38 -9.526 4.971 -0.415 1.00 0.00 N ATOM 383 CA VAL A 38 -9.483 5.665 0.871 1.00 0.00 C ATOM 384 C VAL A 38 -8.831 7.040 0.716 1.00 0.00 C ATOM 385 O VAL A 38 -9.375 8.049 1.175 1.00 0.00 O ATOM 386 CB VAL A 38 -8.718 4.841 1.932 1.00 0.00 C ATOM 387 CG1 VAL A 38 -8.420 5.681 3.166 1.00 0.00 C ATOM 388 CG2 VAL A 38 -9.509 3.601 2.317 1.00 0.00 C ATOM 0 H VAL A 38 -9.049 4.069 -0.424 1.00 0.00 H new ATOM 0 HA VAL A 38 -10.511 5.790 1.211 1.00 0.00 H new ATOM 0 HB VAL A 38 -7.769 4.529 1.495 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -7.881 5.077 3.896 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -7.809 6.539 2.884 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -9.356 6.030 3.603 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -8.955 3.034 3.065 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -10.474 3.898 2.728 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -9.666 2.981 1.434 1.00 0.00 H new ATOM 398 N GLN A 39 -7.671 7.077 0.053 1.00 0.00 N ATOM 399 CA GLN A 39 -6.960 8.335 -0.173 1.00 0.00 C ATOM 400 C GLN A 39 -7.832 9.306 -0.971 1.00 0.00 C ATOM 401 O GLN A 39 -8.090 10.422 -0.525 1.00 0.00 O ATOM 402 CB GLN A 39 -5.632 8.087 -0.898 1.00 0.00 C ATOM 403 CG GLN A 39 -4.507 9.004 -0.433 1.00 0.00 C ATOM 404 CD GLN A 39 -3.547 9.374 -1.547 1.00 0.00 C ATOM 405 OE1 GLN A 39 -2.489 8.768 -1.692 1.00 0.00 O ATOM 406 NE2 GLN A 39 -3.907 10.374 -2.336 1.00 0.00 N ATOM 0 H GLN A 39 -7.208 6.254 -0.334 1.00 0.00 H new ATOM 0 HA GLN A 39 -6.741 8.782 0.797 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -5.332 7.050 -0.746 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -5.781 8.222 -1.969 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -4.937 9.914 -0.014 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -3.954 8.514 0.368 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -4.795 10.851 -2.181 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -3.296 10.667 -3.099 1.00 0.00 H new ATOM 415 N MET A 40 -8.302 8.862 -2.141 1.00 0.00 N ATOM 416 CA MET A 40 -9.168 9.684 -2.989 1.00 0.00 C ATOM 417 C MET A 40 -10.354 10.215 -2.185 1.00 0.00 C ATOM 418 O MET A 40 -10.644 11.416 -2.208 1.00 0.00 O ATOM 419 CB MET A 40 -9.664 8.874 -4.192 1.00 0.00 C ATOM 420 CG MET A 40 -9.952 9.718 -5.424 1.00 0.00 C ATOM 421 SD MET A 40 -11.718 9.976 -5.691 1.00 0.00 S ATOM 422 CE MET A 40 -11.821 11.759 -5.568 1.00 0.00 C ATOM 0 H MET A 40 -8.097 7.938 -2.521 1.00 0.00 H new ATOM 0 HA MET A 40 -8.588 10.531 -3.355 1.00 0.00 H new ATOM 0 HB2 MET A 40 -8.917 8.122 -4.445 1.00 0.00 H new ATOM 0 HB3 MET A 40 -10.571 8.339 -3.909 1.00 0.00 H new ATOM 0 HG2 MET A 40 -9.459 10.685 -5.321 1.00 0.00 H new ATOM 0 HG3 MET A 40 -9.523 9.233 -6.301 1.00 0.00 H new ATOM 0 HE1 MET A 40 -12.867 12.065 -5.587 1.00 0.00 H new ATOM 0 HE2 MET A 40 -11.364 12.086 -4.634 1.00 0.00 H new ATOM 0 HE3 MET A 40 -11.295 12.213 -6.408 1.00 0.00 H new ATOM 432 N ALA A 41 -11.020 9.316 -1.452 1.00 0.00 N ATOM 433 CA ALA A 41 -12.156 9.693 -0.615 1.00 0.00 C ATOM 434 C ALA A 41 -11.761 10.829 0.331 1.00 0.00 C ATOM 435 O ALA A 41 -12.430 11.863 0.387 1.00 0.00 O ATOM 436 CB ALA A 41 -12.661 8.486 0.167 1.00 0.00 C ATOM 0 H ALA A 41 -10.789 8.323 -1.424 1.00 0.00 H new ATOM 0 HA ALA A 41 -12.964 10.046 -1.255 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -13.508 8.782 0.786 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -12.975 7.707 -0.528 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -11.862 8.104 0.803 1.00 0.00 H new ATOM 442 N VAL A 42 -10.649 10.640 1.046 1.00 0.00 N ATOM 443 CA VAL A 42 -10.143 11.660 1.962 1.00 0.00 C ATOM 444 C VAL A 42 -9.871 12.955 1.200 1.00 0.00 C ATOM 445 O VAL A 42 -10.245 14.041 1.644 1.00 0.00 O ATOM 446 CB VAL A 42 -8.850 11.194 2.671 1.00 0.00 C ATOM 447 CG1 VAL A 42 -8.170 12.353 3.386 1.00 0.00 C ATOM 448 CG2 VAL A 42 -9.154 10.069 3.650 1.00 0.00 C ATOM 0 H VAL A 42 -10.084 9.791 1.007 1.00 0.00 H new ATOM 0 HA VAL A 42 -10.904 11.832 2.723 1.00 0.00 H new ATOM 0 HB VAL A 42 -8.166 10.818 1.911 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -7.264 11.997 3.876 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -7.912 13.126 2.662 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -8.847 12.767 4.133 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -8.233 9.754 4.140 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -9.862 10.421 4.401 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -9.586 9.225 3.112 1.00 0.00 H new ATOM 458 N THR A 43 -9.232 12.821 0.034 1.00 0.00 N ATOM 459 CA THR A 43 -8.919 13.966 -0.822 1.00 0.00 C ATOM 460 C THR A 43 -10.189 14.739 -1.176 1.00 0.00 C ATOM 461 O THR A 43 -10.220 15.964 -1.080 1.00 0.00 O ATOM 462 CB THR A 43 -8.214 13.496 -2.098 1.00 0.00 C ATOM 463 OG1 THR A 43 -6.914 13.016 -1.803 1.00 0.00 O ATOM 464 CG2 THR A 43 -8.073 14.577 -3.148 1.00 0.00 C ATOM 0 H THR A 43 -8.920 11.924 -0.339 1.00 0.00 H new ATOM 0 HA THR A 43 -8.252 14.632 -0.274 1.00 0.00 H new ATOM 0 HB THR A 43 -8.850 12.707 -2.500 1.00 0.00 H new ATOM 0 HG1 THR A 43 -6.461 13.646 -1.205 1.00 0.00 H new ATOM 0 HG21 THR A 43 -7.565 14.171 -4.022 1.00 0.00 H new ATOM 0 HG22 THR A 43 -9.061 14.935 -3.437 1.00 0.00 H new ATOM 0 HG23 THR A 43 -7.491 15.405 -2.742 1.00 0.00 H new ATOM 472 N MET A 44 -11.235 14.010 -1.575 1.00 0.00 N ATOM 473 CA MET A 44 -12.516 14.624 -1.931 1.00 0.00 C ATOM 474 C MET A 44 -13.154 15.313 -0.720 1.00 0.00 C ATOM 475 O MET A 44 -13.738 16.390 -0.845 1.00 0.00 O ATOM 476 CB MET A 44 -13.472 13.568 -2.500 1.00 0.00 C ATOM 477 CG MET A 44 -14.776 14.146 -3.030 1.00 0.00 C ATOM 478 SD MET A 44 -15.158 13.581 -4.700 1.00 0.00 S ATOM 479 CE MET A 44 -16.267 14.873 -5.249 1.00 0.00 C ATOM 0 H MET A 44 -11.219 12.994 -1.659 1.00 0.00 H new ATOM 0 HA MET A 44 -12.326 15.381 -2.692 1.00 0.00 H new ATOM 0 HB2 MET A 44 -12.969 13.031 -3.304 1.00 0.00 H new ATOM 0 HB3 MET A 44 -13.698 12.838 -1.722 1.00 0.00 H new ATOM 0 HG2 MET A 44 -15.591 13.868 -2.361 1.00 0.00 H new ATOM 0 HG3 MET A 44 -14.716 15.234 -3.024 1.00 0.00 H new ATOM 0 HE1 MET A 44 -16.591 14.665 -6.269 1.00 0.00 H new ATOM 0 HE2 MET A 44 -17.136 14.910 -4.592 1.00 0.00 H new ATOM 0 HE3 MET A 44 -15.750 15.832 -5.221 1.00 0.00 H new ATOM 489 N VAL A 45 -13.035 14.682 0.450 1.00 0.00 N ATOM 490 CA VAL A 45 -13.597 15.234 1.686 1.00 0.00 C ATOM 491 C VAL A 45 -12.822 16.474 2.147 1.00 0.00 C ATOM 492 O VAL A 45 -13.422 17.472 2.553 1.00 0.00 O ATOM 493 CB VAL A 45 -13.600 14.180 2.819 1.00 0.00 C ATOM 494 CG1 VAL A 45 -14.025 14.802 4.143 1.00 0.00 C ATOM 495 CG2 VAL A 45 -14.515 13.017 2.465 1.00 0.00 C ATOM 0 H VAL A 45 -12.555 13.790 0.568 1.00 0.00 H new ATOM 0 HA VAL A 45 -14.625 15.523 1.466 1.00 0.00 H new ATOM 0 HB VAL A 45 -12.583 13.804 2.930 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -14.018 14.040 4.922 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -13.331 15.599 4.410 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -15.030 15.213 4.046 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -14.504 12.286 3.274 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -15.531 13.384 2.322 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -14.166 12.546 1.546 1.00 0.00 H new ATOM 505 N LEU A 46 -11.493 16.404 2.083 1.00 0.00 N ATOM 506 CA LEU A 46 -10.636 17.520 2.493 1.00 0.00 C ATOM 507 C LEU A 46 -10.618 18.625 1.433 1.00 0.00 C ATOM 508 O LEU A 46 -10.967 18.396 0.275 1.00 0.00 O ATOM 509 CB LEU A 46 -9.211 17.020 2.765 1.00 0.00 C ATOM 510 CG LEU A 46 -8.897 16.706 4.232 1.00 0.00 C ATOM 511 CD1 LEU A 46 -8.876 17.981 5.059 1.00 0.00 C ATOM 512 CD2 LEU A 46 -9.908 15.721 4.798 1.00 0.00 C ATOM 0 H LEU A 46 -10.984 15.585 1.751 1.00 0.00 H new ATOM 0 HA LEU A 46 -11.047 17.942 3.410 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -9.040 16.121 2.173 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -8.506 17.773 2.412 1.00 0.00 H new ATOM 0 HG LEU A 46 -7.909 16.249 4.279 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -8.651 17.737 6.097 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -8.112 18.654 4.671 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -9.850 18.467 5.003 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -9.667 15.511 5.840 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -10.908 16.150 4.736 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -9.874 14.795 4.224 1.00 0.00 H new ATOM 524 N HIS A 47 -10.222 19.831 1.839 1.00 0.00 N ATOM 525 CA HIS A 47 -10.176 20.971 0.921 1.00 0.00 C ATOM 526 C HIS A 47 -8.816 21.677 0.963 1.00 0.00 C ATOM 527 O HIS A 47 -8.624 22.623 1.727 1.00 0.00 O ATOM 528 CB HIS A 47 -11.297 21.965 1.256 1.00 0.00 C ATOM 529 CG HIS A 47 -12.676 21.418 1.047 1.00 0.00 C ATOM 530 ND1 HIS A 47 -13.272 20.308 1.539 1.00 0.00 N flip ATOM 531 CD2 HIS A 47 -13.615 22.028 0.242 1.00 0.00 C flip ATOM 532 CE1 HIS A 47 -14.546 20.265 1.030 1.00 0.00 C flip ATOM 533 NE2 HIS A 47 -14.728 21.315 0.250 1.00 0.00 N flip ATOM 0 H HIS A 47 -9.930 20.044 2.793 1.00 0.00 H new ATOM 0 HA HIS A 47 -10.321 20.589 -0.090 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -11.194 22.277 2.295 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -11.174 22.857 0.642 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -13.465 22.945 -0.309 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -15.279 19.499 1.234 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -15.583 21.538 -0.260 1.00 0.00 H new ATOM 542 N GLY A 48 -7.883 21.217 0.129 1.00 0.00 N ATOM 543 CA GLY A 48 -6.557 21.828 0.077 1.00 0.00 C ATOM 544 C GLY A 48 -5.582 21.239 1.083 1.00 0.00 C ATOM 545 O GLY A 48 -5.344 21.830 2.136 1.00 0.00 O ATOM 0 H GLY A 48 -8.019 20.434 -0.511 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -6.149 21.708 -0.927 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -6.651 22.899 0.257 1.00 0.00 H new ATOM 549 N GLN A 49 -5.012 20.078 0.746 1.00 0.00 N ATOM 550 CA GLN A 49 -4.042 19.402 1.614 1.00 0.00 C ATOM 551 C GLN A 49 -3.649 18.035 1.044 1.00 0.00 C ATOM 552 O GLN A 49 -2.563 17.873 0.488 1.00 0.00 O ATOM 553 CB GLN A 49 -4.603 19.241 3.036 1.00 0.00 C ATOM 554 CG GLN A 49 -3.683 19.790 4.120 1.00 0.00 C ATOM 555 CD GLN A 49 -3.059 18.705 4.979 1.00 0.00 C ATOM 556 OE1 GLN A 49 -1.847 18.673 5.175 1.00 0.00 O ATOM 557 NE2 GLN A 49 -3.883 17.810 5.507 1.00 0.00 N ATOM 0 H GLN A 49 -5.207 19.585 -0.125 1.00 0.00 H new ATOM 0 HA GLN A 49 -3.148 20.024 1.659 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -5.566 19.748 3.097 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -4.786 18.184 3.228 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -2.891 20.376 3.653 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -4.248 20.470 4.758 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -4.885 17.868 5.323 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -3.515 17.064 6.098 1.00 0.00 H new ATOM 566 N VAL A 50 -4.540 17.053 1.178 1.00 0.00 N ATOM 567 CA VAL A 50 -4.283 15.701 0.677 1.00 0.00 C ATOM 568 C VAL A 50 -4.470 15.616 -0.845 1.00 0.00 C ATOM 569 O VAL A 50 -5.341 14.886 -1.339 1.00 0.00 O ATOM 570 CB VAL A 50 -5.190 14.659 1.373 1.00 0.00 C ATOM 571 CG1 VAL A 50 -4.719 14.404 2.796 1.00 0.00 C ATOM 572 CG2 VAL A 50 -6.643 15.110 1.367 1.00 0.00 C ATOM 0 H VAL A 50 -5.447 17.168 1.630 1.00 0.00 H new ATOM 0 HA VAL A 50 -3.243 15.473 0.911 1.00 0.00 H new ATOM 0 HB VAL A 50 -5.122 13.726 0.813 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -5.370 13.668 3.268 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.697 14.026 2.779 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -4.752 15.335 3.363 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -7.259 14.359 1.862 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -6.732 16.059 1.896 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -6.981 15.235 0.338 1.00 0.00 H new ATOM 582 N GLU A 51 -3.645 16.364 -1.581 1.00 0.00 N ATOM 583 CA GLU A 51 -3.711 16.379 -3.044 1.00 0.00 C ATOM 584 C GLU A 51 -2.377 16.824 -3.657 1.00 0.00 C ATOM 585 O GLU A 51 -1.420 17.133 -2.940 1.00 0.00 O ATOM 586 CB GLU A 51 -4.844 17.300 -3.516 1.00 0.00 C ATOM 587 CG GLU A 51 -5.931 16.574 -4.303 1.00 0.00 C ATOM 588 CD GLU A 51 -5.609 16.429 -5.781 1.00 0.00 C ATOM 589 OE1 GLU A 51 -4.497 15.958 -6.102 1.00 0.00 O ATOM 590 OE2 GLU A 51 -6.468 16.781 -6.614 1.00 0.00 O ATOM 0 H GLU A 51 -2.923 16.968 -1.188 1.00 0.00 H new ATOM 0 HA GLU A 51 -3.915 15.363 -3.381 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -5.295 17.782 -2.649 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -4.424 18.091 -4.137 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -6.082 15.584 -3.872 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -6.871 17.115 -4.195 1.00 0.00 H new ATOM 597 N SER A 52 -2.324 16.857 -4.989 1.00 0.00 N ATOM 598 CA SER A 52 -1.114 17.264 -5.710 1.00 0.00 C ATOM 599 C SER A 52 -0.823 18.756 -5.508 1.00 0.00 C ATOM 600 O SER A 52 -1.004 19.569 -6.419 1.00 0.00 O ATOM 601 CB SER A 52 -1.251 16.946 -7.201 1.00 0.00 C ATOM 602 OG SER A 52 -0.001 16.573 -7.757 1.00 0.00 O ATOM 0 H SER A 52 -3.107 16.606 -5.593 1.00 0.00 H new ATOM 0 HA SER A 52 -0.275 16.699 -5.304 1.00 0.00 H new ATOM 0 HB2 SER A 52 -1.970 16.139 -7.340 1.00 0.00 H new ATOM 0 HB3 SER A 52 -1.642 17.816 -7.728 1.00 0.00 H new ATOM 0 HG SER A 52 -0.113 16.373 -8.710 1.00 0.00 H new ATOM 608 N ILE A 53 -0.376 19.101 -4.302 1.00 0.00 N ATOM 609 CA ILE A 53 -0.059 20.489 -3.956 1.00 0.00 C ATOM 610 C ILE A 53 0.855 20.564 -2.725 1.00 0.00 C ATOM 611 O ILE A 53 1.894 21.225 -2.758 1.00 0.00 O ATOM 612 CB ILE A 53 -1.343 21.324 -3.713 1.00 0.00 C ATOM 613 CG1 ILE A 53 -0.991 22.718 -3.188 1.00 0.00 C ATOM 614 CG2 ILE A 53 -2.284 20.614 -2.745 1.00 0.00 C ATOM 615 CD1 ILE A 53 -2.006 23.778 -3.565 1.00 0.00 C ATOM 0 H ILE A 53 -0.224 18.436 -3.543 1.00 0.00 H new ATOM 0 HA ILE A 53 0.471 20.914 -4.809 1.00 0.00 H new ATOM 0 HB ILE A 53 -1.856 21.432 -4.668 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -0.905 22.678 -2.102 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -0.014 23.008 -3.575 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -3.176 21.222 -2.593 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.570 19.647 -3.159 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.779 20.465 -1.790 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -1.694 24.741 -3.161 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -2.075 23.846 -4.651 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -2.980 23.511 -3.155 1.00 0.00 H new ATOM 627 N ASP A 54 0.464 19.881 -1.649 1.00 0.00 N ATOM 628 CA ASP A 54 1.246 19.867 -0.412 1.00 0.00 C ATOM 629 C ASP A 54 2.490 18.985 -0.557 1.00 0.00 C ATOM 630 O ASP A 54 3.579 19.352 -0.107 1.00 0.00 O ATOM 631 CB ASP A 54 0.378 19.375 0.752 1.00 0.00 C ATOM 632 CG ASP A 54 -0.631 20.410 1.216 1.00 0.00 C ATOM 633 OD1 ASP A 54 -1.110 21.203 0.377 1.00 0.00 O ATOM 634 OD2 ASP A 54 -0.946 20.422 2.421 1.00 0.00 O ATOM 0 H ASP A 54 -0.392 19.328 -1.609 1.00 0.00 H new ATOM 0 HA ASP A 54 1.577 20.885 -0.205 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -0.150 18.471 0.448 1.00 0.00 H new ATOM 0 HB3 ASP A 54 1.022 19.102 1.588 1.00 0.00 H new ATOM 639 N VAL A 55 2.322 17.823 -1.192 1.00 0.00 N ATOM 640 CA VAL A 55 3.430 16.894 -1.406 1.00 0.00 C ATOM 641 C VAL A 55 4.440 17.483 -2.395 1.00 0.00 C ATOM 642 O VAL A 55 4.374 17.233 -3.601 1.00 0.00 O ATOM 643 CB VAL A 55 2.932 15.524 -1.924 1.00 0.00 C ATOM 644 CG1 VAL A 55 4.099 14.578 -2.163 1.00 0.00 C ATOM 645 CG2 VAL A 55 1.941 14.906 -0.949 1.00 0.00 C ATOM 0 H VAL A 55 1.428 17.504 -1.567 1.00 0.00 H new ATOM 0 HA VAL A 55 3.916 16.739 -0.443 1.00 0.00 H new ATOM 0 HB VAL A 55 2.424 15.689 -2.874 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.723 13.622 -2.527 1.00 0.00 H new ATOM 0 HG12 VAL A 55 4.771 15.010 -2.904 1.00 0.00 H new ATOM 0 HG13 VAL A 55 4.640 14.424 -1.229 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.604 13.943 -1.334 1.00 0.00 H new ATOM 0 HG22 VAL A 55 2.423 14.762 0.018 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.084 15.570 -0.831 1.00 0.00 H new ATOM 655 N ILE A 56 5.365 18.286 -1.871 1.00 0.00 N ATOM 656 CA ILE A 56 6.385 18.934 -2.696 1.00 0.00 C ATOM 657 C ILE A 56 7.286 17.909 -3.388 1.00 0.00 C ATOM 658 O ILE A 56 7.835 17.014 -2.744 1.00 0.00 O ATOM 659 CB ILE A 56 7.263 19.894 -1.859 1.00 0.00 C ATOM 660 CG1 ILE A 56 6.397 20.939 -1.151 1.00 0.00 C ATOM 661 CG2 ILE A 56 8.299 20.580 -2.742 1.00 0.00 C ATOM 662 CD1 ILE A 56 6.899 21.301 0.230 1.00 0.00 C ATOM 0 H ILE A 56 5.429 18.504 -0.877 1.00 0.00 H new ATOM 0 HA ILE A 56 5.851 19.506 -3.455 1.00 0.00 H new ATOM 0 HB ILE A 56 7.784 19.306 -1.104 1.00 0.00 H new ATOM 0 HG12 ILE A 56 6.356 21.841 -1.762 1.00 0.00 H new ATOM 0 HG13 ILE A 56 5.378 20.561 -1.071 1.00 0.00 H new ATOM 0 HG21 ILE A 56 8.907 21.251 -2.135 1.00 0.00 H new ATOM 0 HG22 ILE A 56 8.939 19.828 -3.203 1.00 0.00 H new ATOM 0 HG23 ILE A 56 7.793 21.152 -3.520 1.00 0.00 H new ATOM 0 HD11 ILE A 56 6.238 22.046 0.674 1.00 0.00 H new ATOM 0 HD12 ILE A 56 6.914 20.410 0.857 1.00 0.00 H new ATOM 0 HD13 ILE A 56 7.907 21.709 0.155 1.00 0.00 H new ATOM 674 N ARG A 57 7.437 18.064 -4.708 1.00 0.00 N ATOM 675 CA ARG A 57 8.275 17.171 -5.516 1.00 0.00 C ATOM 676 C ARG A 57 7.636 15.789 -5.686 1.00 0.00 C ATOM 677 O ARG A 57 7.566 15.003 -4.741 1.00 0.00 O ATOM 678 CB ARG A 57 9.671 17.036 -4.894 1.00 0.00 C ATOM 679 CG ARG A 57 10.800 17.420 -5.839 1.00 0.00 C ATOM 680 CD ARG A 57 12.155 17.013 -5.281 1.00 0.00 C ATOM 681 NE ARG A 57 13.247 17.356 -6.196 1.00 0.00 N ATOM 682 CZ ARG A 57 14.527 17.071 -5.977 1.00 0.00 C ATOM 683 NH1 ARG A 57 14.895 16.444 -4.877 1.00 0.00 N ATOM 684 NH2 ARG A 57 15.438 17.418 -6.864 1.00 0.00 N ATOM 0 H ARG A 57 6.986 18.806 -5.243 1.00 0.00 H new ATOM 0 HA ARG A 57 8.367 17.618 -6.506 1.00 0.00 H new ATOM 0 HB2 ARG A 57 9.725 17.663 -4.004 1.00 0.00 H new ATOM 0 HB3 ARG A 57 9.816 16.006 -4.568 1.00 0.00 H new ATOM 0 HG2 ARG A 57 10.645 16.942 -6.806 1.00 0.00 H new ATOM 0 HG3 ARG A 57 10.784 18.497 -6.009 1.00 0.00 H new ATOM 0 HD2 ARG A 57 12.316 17.506 -4.322 1.00 0.00 H new ATOM 0 HD3 ARG A 57 12.163 15.939 -5.093 1.00 0.00 H new ATOM 0 HE ARG A 57 13.009 17.846 -7.058 1.00 0.00 H new ATOM 0 HH11 ARG A 57 14.195 16.174 -4.186 1.00 0.00 H new ATOM 0 HH12 ARG A 57 15.879 16.229 -4.717 1.00 0.00 H new ATOM 0 HH21 ARG A 57 15.160 17.904 -7.717 1.00 0.00 H new ATOM 0 HH22 ARG A 57 16.421 17.200 -6.698 1.00 0.00 H new ATOM 698 N SER A 58 7.187 15.495 -6.907 1.00 0.00 N ATOM 699 CA SER A 58 6.566 14.203 -7.220 1.00 0.00 C ATOM 700 C SER A 58 7.421 13.039 -6.718 1.00 0.00 C ATOM 701 O SER A 58 6.937 12.169 -5.993 1.00 0.00 O ATOM 702 CB SER A 58 6.354 14.075 -8.731 1.00 0.00 C ATOM 703 OG SER A 58 7.518 14.469 -9.441 1.00 0.00 O ATOM 0 H SER A 58 7.241 16.135 -7.699 1.00 0.00 H new ATOM 0 HA SER A 58 5.603 14.162 -6.712 1.00 0.00 H new ATOM 0 HB2 SER A 58 6.102 13.044 -8.981 1.00 0.00 H new ATOM 0 HB3 SER A 58 5.510 14.693 -9.037 1.00 0.00 H new ATOM 0 HG SER A 58 7.360 14.378 -10.404 1.00 0.00 H new ATOM 709 N ILE A 59 8.701 13.040 -7.099 1.00 0.00 N ATOM 710 CA ILE A 59 9.640 11.993 -6.681 1.00 0.00 C ATOM 711 C ILE A 59 9.621 11.805 -5.159 1.00 0.00 C ATOM 712 O ILE A 59 9.746 10.681 -4.664 1.00 0.00 O ATOM 713 CB ILE A 59 11.086 12.309 -7.142 1.00 0.00 C ATOM 714 CG1 ILE A 59 11.140 12.499 -8.662 1.00 0.00 C ATOM 715 CG2 ILE A 59 12.039 11.200 -6.717 1.00 0.00 C ATOM 716 CD1 ILE A 59 10.617 11.313 -9.446 1.00 0.00 C ATOM 0 H ILE A 59 9.113 13.756 -7.698 1.00 0.00 H new ATOM 0 HA ILE A 59 9.314 11.069 -7.158 1.00 0.00 H new ATOM 0 HB ILE A 59 11.398 13.238 -6.665 1.00 0.00 H new ATOM 0 HG12 ILE A 59 10.561 13.383 -8.929 1.00 0.00 H new ATOM 0 HG13 ILE A 59 12.171 12.692 -8.958 1.00 0.00 H new ATOM 0 HG21 ILE A 59 13.049 11.440 -7.050 1.00 0.00 H new ATOM 0 HG22 ILE A 59 12.028 11.107 -5.631 1.00 0.00 H new ATOM 0 HG23 ILE A 59 11.724 10.258 -7.165 1.00 0.00 H new ATOM 0 HD11 ILE A 59 10.688 11.523 -10.513 1.00 0.00 H new ATOM 0 HD12 ILE A 59 11.211 10.430 -9.210 1.00 0.00 H new ATOM 0 HD13 ILE A 59 9.576 11.132 -9.180 1.00 0.00 H new ATOM 728 N PHE A 60 9.444 12.910 -4.426 1.00 0.00 N ATOM 729 CA PHE A 60 9.388 12.876 -2.961 1.00 0.00 C ATOM 730 C PHE A 60 8.432 11.787 -2.469 1.00 0.00 C ATOM 731 O PHE A 60 8.667 11.182 -1.420 1.00 0.00 O ATOM 732 CB PHE A 60 8.953 14.238 -2.411 1.00 0.00 C ATOM 733 CG PHE A 60 9.388 14.487 -0.994 1.00 0.00 C ATOM 734 CD1 PHE A 60 8.589 14.095 0.068 1.00 0.00 C ATOM 735 CD2 PHE A 60 10.593 15.113 -0.725 1.00 0.00 C ATOM 736 CE1 PHE A 60 8.985 14.325 1.371 1.00 0.00 C ATOM 737 CE2 PHE A 60 10.995 15.343 0.576 1.00 0.00 C ATOM 738 CZ PHE A 60 10.189 14.949 1.626 1.00 0.00 C ATOM 0 H PHE A 60 9.337 13.842 -4.826 1.00 0.00 H new ATOM 0 HA PHE A 60 10.388 12.645 -2.595 1.00 0.00 H new ATOM 0 HB2 PHE A 60 9.358 15.023 -3.049 1.00 0.00 H new ATOM 0 HB3 PHE A 60 7.867 14.312 -2.466 1.00 0.00 H new ATOM 0 HD1 PHE A 60 7.646 13.604 -0.125 1.00 0.00 H new ATOM 0 HD2 PHE A 60 11.226 15.425 -1.542 1.00 0.00 H new ATOM 0 HE1 PHE A 60 8.352 14.017 2.190 1.00 0.00 H new ATOM 0 HE2 PHE A 60 11.939 15.830 0.772 1.00 0.00 H new ATOM 0 HZ PHE A 60 10.500 15.129 2.644 1.00 0.00 H new ATOM 748 N PHE A 61 7.365 11.534 -3.238 1.00 0.00 N ATOM 749 CA PHE A 61 6.378 10.507 -2.892 1.00 0.00 C ATOM 750 C PHE A 61 7.067 9.237 -2.386 1.00 0.00 C ATOM 751 O PHE A 61 6.638 8.647 -1.390 1.00 0.00 O ATOM 752 CB PHE A 61 5.502 10.183 -4.106 1.00 0.00 C ATOM 753 CG PHE A 61 4.137 9.673 -3.743 1.00 0.00 C ATOM 754 CD1 PHE A 61 3.967 8.375 -3.294 1.00 0.00 C ATOM 755 CD2 PHE A 61 3.028 10.494 -3.848 1.00 0.00 C ATOM 756 CE1 PHE A 61 2.714 7.902 -2.959 1.00 0.00 C ATOM 757 CE2 PHE A 61 1.771 10.026 -3.514 1.00 0.00 C ATOM 758 CZ PHE A 61 1.614 8.730 -3.068 1.00 0.00 C ATOM 0 H PHE A 61 7.164 12.029 -4.107 1.00 0.00 H new ATOM 0 HA PHE A 61 5.747 10.897 -2.093 1.00 0.00 H new ATOM 0 HB2 PHE A 61 5.395 11.080 -4.716 1.00 0.00 H new ATOM 0 HB3 PHE A 61 6.008 9.438 -4.720 1.00 0.00 H new ATOM 0 HD1 PHE A 61 4.825 7.725 -3.205 1.00 0.00 H new ATOM 0 HD2 PHE A 61 3.146 11.510 -4.194 1.00 0.00 H new ATOM 0 HE1 PHE A 61 2.594 6.886 -2.612 1.00 0.00 H new ATOM 0 HE2 PHE A 61 0.912 10.675 -3.602 1.00 0.00 H new ATOM 0 HZ PHE A 61 0.633 8.364 -2.805 1.00 0.00 H new ATOM 768 N GLY A 62 8.148 8.839 -3.071 1.00 0.00 N ATOM 769 CA GLY A 62 8.911 7.661 -2.680 1.00 0.00 C ATOM 770 C GLY A 62 9.092 7.558 -1.178 1.00 0.00 C ATOM 771 O GLY A 62 8.969 6.477 -0.611 1.00 0.00 O ATOM 0 H GLY A 62 8.508 9.319 -3.896 1.00 0.00 H new ATOM 0 HA2 GLY A 62 8.405 6.767 -3.044 1.00 0.00 H new ATOM 0 HA3 GLY A 62 9.889 7.690 -3.159 1.00 0.00 H new ATOM 775 N LEU A 63 9.355 8.693 -0.524 1.00 0.00 N ATOM 776 CA LEU A 63 9.516 8.713 0.929 1.00 0.00 C ATOM 777 C LEU A 63 8.334 8.001 1.592 1.00 0.00 C ATOM 778 O LEU A 63 8.522 7.059 2.373 1.00 0.00 O ATOM 779 CB LEU A 63 9.627 10.156 1.436 1.00 0.00 C ATOM 780 CG LEU A 63 9.693 10.312 2.959 1.00 0.00 C ATOM 781 CD1 LEU A 63 10.893 9.569 3.523 1.00 0.00 C ATOM 782 CD2 LEU A 63 9.752 11.782 3.339 1.00 0.00 C ATOM 0 H LEU A 63 9.460 9.602 -0.975 1.00 0.00 H new ATOM 0 HA LEU A 63 10.435 8.188 1.190 1.00 0.00 H new ATOM 0 HB2 LEU A 63 10.519 10.609 1.002 1.00 0.00 H new ATOM 0 HB3 LEU A 63 8.771 10.720 1.066 1.00 0.00 H new ATOM 0 HG LEU A 63 8.790 9.878 3.388 1.00 0.00 H new ATOM 0 HD11 LEU A 63 10.921 9.692 4.606 1.00 0.00 H new ATOM 0 HD12 LEU A 63 10.812 8.509 3.281 1.00 0.00 H new ATOM 0 HD13 LEU A 63 11.808 9.972 3.088 1.00 0.00 H new ATOM 0 HD21 LEU A 63 9.798 11.876 4.424 1.00 0.00 H new ATOM 0 HD22 LEU A 63 10.639 12.237 2.897 1.00 0.00 H new ATOM 0 HD23 LEU A 63 8.861 12.290 2.969 1.00 0.00 H new ATOM 794 N LEU A 64 7.119 8.419 1.233 1.00 0.00 N ATOM 795 CA LEU A 64 5.899 7.799 1.753 1.00 0.00 C ATOM 796 C LEU A 64 5.792 6.345 1.284 1.00 0.00 C ATOM 797 O LEU A 64 5.162 5.509 1.942 1.00 0.00 O ATOM 798 CB LEU A 64 4.669 8.591 1.302 1.00 0.00 C ATOM 799 CG LEU A 64 3.341 8.134 1.908 1.00 0.00 C ATOM 800 CD1 LEU A 64 2.710 9.251 2.722 1.00 0.00 C ATOM 801 CD2 LEU A 64 2.391 7.670 0.816 1.00 0.00 C ATOM 0 H LEU A 64 6.953 9.187 0.582 1.00 0.00 H new ATOM 0 HA LEU A 64 5.945 7.809 2.842 1.00 0.00 H new ATOM 0 HB2 LEU A 64 4.821 9.641 1.552 1.00 0.00 H new ATOM 0 HB3 LEU A 64 4.595 8.529 0.216 1.00 0.00 H new ATOM 0 HG LEU A 64 3.539 7.295 2.575 1.00 0.00 H new ATOM 0 HD11 LEU A 64 1.766 8.905 3.144 1.00 0.00 H new ATOM 0 HD12 LEU A 64 3.384 9.539 3.528 1.00 0.00 H new ATOM 0 HD13 LEU A 64 2.526 10.111 2.078 1.00 0.00 H new ATOM 0 HD21 LEU A 64 1.451 7.348 1.264 1.00 0.00 H new ATOM 0 HD22 LEU A 64 2.201 8.492 0.125 1.00 0.00 H new ATOM 0 HD23 LEU A 64 2.839 6.837 0.274 1.00 0.00 H new ATOM 813 N ILE A 65 6.436 6.041 0.153 1.00 0.00 N ATOM 814 CA ILE A 65 6.437 4.691 -0.391 1.00 0.00 C ATOM 815 C ILE A 65 7.213 3.739 0.522 1.00 0.00 C ATOM 816 O ILE A 65 6.988 2.534 0.488 1.00 0.00 O ATOM 817 CB ILE A 65 7.009 4.658 -1.835 1.00 0.00 C ATOM 818 CG1 ILE A 65 5.981 4.057 -2.795 1.00 0.00 C ATOM 819 CG2 ILE A 65 8.317 3.881 -1.911 1.00 0.00 C ATOM 820 CD1 ILE A 65 4.861 5.008 -3.155 1.00 0.00 C ATOM 0 H ILE A 65 6.963 6.717 -0.400 1.00 0.00 H new ATOM 0 HA ILE A 65 5.401 4.354 -0.439 1.00 0.00 H new ATOM 0 HB ILE A 65 7.221 5.686 -2.129 1.00 0.00 H new ATOM 0 HG12 ILE A 65 6.488 3.744 -3.708 1.00 0.00 H new ATOM 0 HG13 ILE A 65 5.555 3.161 -2.344 1.00 0.00 H new ATOM 0 HG21 ILE A 65 8.682 3.883 -2.938 1.00 0.00 H new ATOM 0 HG22 ILE A 65 9.057 4.350 -1.262 1.00 0.00 H new ATOM 0 HG23 ILE A 65 8.149 2.854 -1.587 1.00 0.00 H new ATOM 0 HD11 ILE A 65 4.170 4.514 -3.839 1.00 0.00 H new ATOM 0 HD12 ILE A 65 4.329 5.302 -2.251 1.00 0.00 H new ATOM 0 HD13 ILE A 65 5.276 5.894 -3.636 1.00 0.00 H new ATOM 832 N THR A 66 8.113 4.279 1.355 1.00 0.00 N ATOM 833 CA THR A 66 8.880 3.439 2.281 1.00 0.00 C ATOM 834 C THR A 66 7.928 2.748 3.259 1.00 0.00 C ATOM 835 O THR A 66 7.829 1.518 3.272 1.00 0.00 O ATOM 836 CB THR A 66 9.939 4.251 3.043 1.00 0.00 C ATOM 837 OG1 THR A 66 10.313 5.411 2.321 1.00 0.00 O ATOM 838 CG2 THR A 66 11.203 3.470 3.316 1.00 0.00 C ATOM 0 H THR A 66 8.325 5.275 1.406 1.00 0.00 H new ATOM 0 HA THR A 66 9.409 2.686 1.697 1.00 0.00 H new ATOM 0 HB THR A 66 9.466 4.511 3.990 1.00 0.00 H new ATOM 0 HG1 THR A 66 9.810 6.182 2.657 1.00 0.00 H new ATOM 0 HG21 THR A 66 11.910 4.099 3.856 1.00 0.00 H new ATOM 0 HG22 THR A 66 10.966 2.592 3.917 1.00 0.00 H new ATOM 0 HG23 THR A 66 11.647 3.154 2.372 1.00 0.00 H new ATOM 846 N PRO A 67 7.180 3.529 4.077 1.00 0.00 N ATOM 847 CA PRO A 67 6.214 2.967 5.024 1.00 0.00 C ATOM 848 C PRO A 67 5.069 2.256 4.300 1.00 0.00 C ATOM 849 O PRO A 67 4.642 1.176 4.712 1.00 0.00 O ATOM 850 CB PRO A 67 5.700 4.188 5.797 1.00 0.00 C ATOM 851 CG PRO A 67 5.955 5.348 4.898 1.00 0.00 C ATOM 852 CD PRO A 67 7.196 5.007 4.120 1.00 0.00 C ATOM 0 HA PRO A 67 6.661 2.214 5.673 1.00 0.00 H new ATOM 0 HB2 PRO A 67 4.639 4.092 6.026 1.00 0.00 H new ATOM 0 HB3 PRO A 67 6.222 4.302 6.747 1.00 0.00 H new ATOM 0 HG2 PRO A 67 5.110 5.517 4.230 1.00 0.00 H new ATOM 0 HG3 PRO A 67 6.095 6.263 5.473 1.00 0.00 H new ATOM 0 HD2 PRO A 67 7.174 5.438 3.119 1.00 0.00 H new ATOM 0 HD3 PRO A 67 8.093 5.385 4.610 1.00 0.00 H new ATOM 860 N TRP A 68 4.590 2.859 3.201 1.00 0.00 N ATOM 861 CA TRP A 68 3.512 2.261 2.413 1.00 0.00 C ATOM 862 C TRP A 68 3.935 0.890 1.885 1.00 0.00 C ATOM 863 O TRP A 68 3.193 -0.079 2.010 1.00 0.00 O ATOM 864 CB TRP A 68 3.114 3.178 1.247 1.00 0.00 C ATOM 865 CG TRP A 68 1.835 2.775 0.567 1.00 0.00 C ATOM 866 CD1 TRP A 68 1.090 1.652 0.807 1.00 0.00 C ATOM 867 CD2 TRP A 68 1.150 3.492 -0.470 1.00 0.00 C ATOM 868 NE1 TRP A 68 -0.009 1.629 -0.016 1.00 0.00 N ATOM 869 CE2 TRP A 68 0.004 2.746 -0.807 1.00 0.00 C ATOM 870 CE3 TRP A 68 1.394 4.693 -1.147 1.00 0.00 C ATOM 871 CZ2 TRP A 68 -0.893 3.159 -1.788 1.00 0.00 C ATOM 872 CZ3 TRP A 68 0.499 5.100 -2.119 1.00 0.00 C ATOM 873 CH2 TRP A 68 -0.630 4.336 -2.432 1.00 0.00 C ATOM 0 H TRP A 68 4.931 3.752 2.844 1.00 0.00 H new ATOM 0 HA TRP A 68 2.646 2.136 3.063 1.00 0.00 H new ATOM 0 HB2 TRP A 68 3.012 4.198 1.618 1.00 0.00 H new ATOM 0 HB3 TRP A 68 3.919 3.185 0.512 1.00 0.00 H new ATOM 0 HD1 TRP A 68 1.331 0.894 1.538 1.00 0.00 H new ATOM 0 HE1 TRP A 68 -0.720 0.898 -0.035 1.00 0.00 H new ATOM 0 HE3 TRP A 68 2.264 5.289 -0.915 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 -1.765 2.571 -2.032 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 0.675 6.026 -2.647 1.00 0.00 H new ATOM 0 HH2 TRP A 68 -1.308 4.683 -3.198 1.00 0.00 H new ATOM 884 N ALA A 69 5.138 0.812 1.313 1.00 0.00 N ATOM 885 CA ALA A 69 5.659 -0.449 0.791 1.00 0.00 C ATOM 886 C ALA A 69 5.763 -1.484 1.905 1.00 0.00 C ATOM 887 O ALA A 69 5.249 -2.594 1.778 1.00 0.00 O ATOM 888 CB ALA A 69 7.014 -0.236 0.127 1.00 0.00 C ATOM 0 H ALA A 69 5.767 1.607 1.200 1.00 0.00 H new ATOM 0 HA ALA A 69 4.966 -0.823 0.038 1.00 0.00 H new ATOM 0 HB1 ALA A 69 7.385 -1.187 -0.255 1.00 0.00 H new ATOM 0 HB2 ALA A 69 6.909 0.470 -0.697 1.00 0.00 H new ATOM 0 HB3 ALA A 69 7.719 0.161 0.857 1.00 0.00 H new ATOM 894 N VAL A 70 6.411 -1.103 3.010 1.00 0.00 N ATOM 895 CA VAL A 70 6.559 -1.996 4.160 1.00 0.00 C ATOM 896 C VAL A 70 5.189 -2.483 4.639 1.00 0.00 C ATOM 897 O VAL A 70 4.962 -3.687 4.786 1.00 0.00 O ATOM 898 CB VAL A 70 7.296 -1.296 5.327 1.00 0.00 C ATOM 899 CG1 VAL A 70 7.192 -2.113 6.608 1.00 0.00 C ATOM 900 CG2 VAL A 70 8.755 -1.058 4.970 1.00 0.00 C ATOM 0 H VAL A 70 6.840 -0.185 3.131 1.00 0.00 H new ATOM 0 HA VAL A 70 7.155 -2.850 3.838 1.00 0.00 H new ATOM 0 HB VAL A 70 6.816 -0.333 5.498 1.00 0.00 H new ATOM 0 HG11 VAL A 70 7.718 -1.598 7.412 1.00 0.00 H new ATOM 0 HG12 VAL A 70 6.143 -2.232 6.879 1.00 0.00 H new ATOM 0 HG13 VAL A 70 7.640 -3.094 6.451 1.00 0.00 H new ATOM 0 HG21 VAL A 70 9.257 -0.565 5.802 1.00 0.00 H new ATOM 0 HG22 VAL A 70 9.240 -2.013 4.767 1.00 0.00 H new ATOM 0 HG23 VAL A 70 8.814 -0.425 4.084 1.00 0.00 H new ATOM 910 N TYR A 71 4.273 -1.537 4.863 1.00 0.00 N ATOM 911 CA TYR A 71 2.917 -1.861 5.308 1.00 0.00 C ATOM 912 C TYR A 71 2.221 -2.778 4.302 1.00 0.00 C ATOM 913 O TYR A 71 1.721 -3.846 4.665 1.00 0.00 O ATOM 914 CB TYR A 71 2.104 -0.578 5.504 1.00 0.00 C ATOM 915 CG TYR A 71 1.274 -0.575 6.764 1.00 0.00 C ATOM 916 CD1 TYR A 71 0.334 -1.569 6.999 1.00 0.00 C ATOM 917 CD2 TYR A 71 1.428 0.422 7.716 1.00 0.00 C ATOM 918 CE1 TYR A 71 -0.428 -1.569 8.151 1.00 0.00 C ATOM 919 CE2 TYR A 71 0.668 0.429 8.869 1.00 0.00 C ATOM 920 CZ TYR A 71 -0.257 -0.569 9.081 1.00 0.00 C ATOM 921 OH TYR A 71 -1.020 -0.560 10.221 1.00 0.00 O ATOM 0 H TYR A 71 4.447 -0.539 4.743 1.00 0.00 H new ATOM 0 HA TYR A 71 2.985 -2.386 6.261 1.00 0.00 H new ATOM 0 HB2 TYR A 71 2.784 0.273 5.525 1.00 0.00 H new ATOM 0 HB3 TYR A 71 1.447 -0.440 4.646 1.00 0.00 H new ATOM 0 HD1 TYR A 71 0.196 -2.354 6.270 1.00 0.00 H new ATOM 0 HD2 TYR A 71 2.154 1.205 7.553 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -1.154 -2.350 8.321 1.00 0.00 H new ATOM 0 HE2 TYR A 71 0.798 1.213 9.600 1.00 0.00 H new ATOM 0 HH TYR A 71 -0.774 0.212 10.773 1.00 0.00 H new ATOM 931 N PHE A 72 2.210 -2.360 3.036 1.00 0.00 N ATOM 932 CA PHE A 72 1.601 -3.142 1.960 1.00 0.00 C ATOM 933 C PHE A 72 2.183 -4.554 1.951 1.00 0.00 C ATOM 934 O PHE A 72 1.447 -5.543 1.880 1.00 0.00 O ATOM 935 CB PHE A 72 1.837 -2.449 0.609 1.00 0.00 C ATOM 936 CG PHE A 72 1.443 -3.270 -0.589 1.00 0.00 C ATOM 937 CD1 PHE A 72 0.110 -3.533 -0.862 1.00 0.00 C ATOM 938 CD2 PHE A 72 2.408 -3.771 -1.448 1.00 0.00 C ATOM 939 CE1 PHE A 72 -0.253 -4.281 -1.966 1.00 0.00 C ATOM 940 CE2 PHE A 72 2.053 -4.518 -2.554 1.00 0.00 C ATOM 941 CZ PHE A 72 0.721 -4.775 -2.813 1.00 0.00 C ATOM 0 H PHE A 72 2.619 -1.478 2.729 1.00 0.00 H new ATOM 0 HA PHE A 72 0.526 -3.211 2.129 1.00 0.00 H new ATOM 0 HB2 PHE A 72 1.278 -1.513 0.592 1.00 0.00 H new ATOM 0 HB3 PHE A 72 2.893 -2.192 0.526 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -0.655 -3.149 -0.204 1.00 0.00 H new ATOM 0 HD2 PHE A 72 3.451 -3.575 -1.250 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -1.296 -4.479 -2.166 1.00 0.00 H new ATOM 0 HE2 PHE A 72 2.816 -4.901 -3.216 1.00 0.00 H new ATOM 0 HZ PHE A 72 0.441 -5.361 -3.676 1.00 0.00 H new ATOM 951 N LEU A 73 3.510 -4.638 2.055 1.00 0.00 N ATOM 952 CA LEU A 73 4.199 -5.920 2.090 1.00 0.00 C ATOM 953 C LEU A 73 3.666 -6.769 3.238 1.00 0.00 C ATOM 954 O LEU A 73 3.221 -7.893 3.027 1.00 0.00 O ATOM 955 CB LEU A 73 5.711 -5.711 2.241 1.00 0.00 C ATOM 956 CG LEU A 73 6.475 -5.534 0.927 1.00 0.00 C ATOM 957 CD1 LEU A 73 7.699 -4.659 1.134 1.00 0.00 C ATOM 958 CD2 LEU A 73 6.877 -6.886 0.365 1.00 0.00 C ATOM 0 H LEU A 73 4.127 -3.828 2.116 1.00 0.00 H new ATOM 0 HA LEU A 73 4.014 -6.442 1.151 1.00 0.00 H new ATOM 0 HB2 LEU A 73 5.881 -4.832 2.863 1.00 0.00 H new ATOM 0 HB3 LEU A 73 6.129 -6.565 2.774 1.00 0.00 H new ATOM 0 HG LEU A 73 5.819 -5.040 0.210 1.00 0.00 H new ATOM 0 HD11 LEU A 73 8.229 -4.545 0.188 1.00 0.00 H new ATOM 0 HD12 LEU A 73 7.389 -3.679 1.496 1.00 0.00 H new ATOM 0 HD13 LEU A 73 8.359 -5.124 1.866 1.00 0.00 H new ATOM 0 HD21 LEU A 73 7.420 -6.745 -0.570 1.00 0.00 H new ATOM 0 HD22 LEU A 73 7.516 -7.402 1.081 1.00 0.00 H new ATOM 0 HD23 LEU A 73 5.984 -7.483 0.179 1.00 0.00 H new ATOM 970 N SER A 74 3.699 -6.217 4.451 1.00 0.00 N ATOM 971 CA SER A 74 3.201 -6.927 5.632 1.00 0.00 C ATOM 972 C SER A 74 1.753 -7.369 5.438 1.00 0.00 C ATOM 973 O SER A 74 1.445 -8.558 5.519 1.00 0.00 O ATOM 974 CB SER A 74 3.315 -6.044 6.880 1.00 0.00 C ATOM 975 OG SER A 74 3.915 -6.751 7.953 1.00 0.00 O ATOM 0 H SER A 74 4.064 -5.284 4.643 1.00 0.00 H new ATOM 0 HA SER A 74 3.817 -7.816 5.769 1.00 0.00 H new ATOM 0 HB2 SER A 74 3.906 -5.157 6.649 1.00 0.00 H new ATOM 0 HB3 SER A 74 2.325 -5.699 7.177 1.00 0.00 H new ATOM 0 HG SER A 74 3.271 -7.388 8.326 1.00 0.00 H new ATOM 981 N VAL A 75 0.867 -6.409 5.174 1.00 0.00 N ATOM 982 CA VAL A 75 -0.552 -6.702 4.965 1.00 0.00 C ATOM 983 C VAL A 75 -0.754 -7.808 3.926 1.00 0.00 C ATOM 984 O VAL A 75 -1.508 -8.752 4.160 1.00 0.00 O ATOM 985 CB VAL A 75 -1.332 -5.443 4.529 1.00 0.00 C ATOM 986 CG1 VAL A 75 -2.815 -5.748 4.412 1.00 0.00 C ATOM 987 CG2 VAL A 75 -1.104 -4.300 5.507 1.00 0.00 C ATOM 0 H VAL A 75 1.107 -5.420 5.100 1.00 0.00 H new ATOM 0 HA VAL A 75 -0.941 -7.045 5.924 1.00 0.00 H new ATOM 0 HB VAL A 75 -0.961 -5.137 3.551 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -3.348 -4.849 4.104 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -2.968 -6.532 3.671 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -3.195 -6.082 5.377 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -1.663 -3.424 5.179 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -1.443 -4.597 6.499 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -0.042 -4.059 5.544 1.00 0.00 H new ATOM 997 N VAL A 76 -0.075 -7.695 2.784 1.00 0.00 N ATOM 998 CA VAL A 76 -0.186 -8.699 1.722 1.00 0.00 C ATOM 999 C VAL A 76 0.388 -10.044 2.173 1.00 0.00 C ATOM 1000 O VAL A 76 -0.231 -11.087 1.973 1.00 0.00 O ATOM 1001 CB VAL A 76 0.530 -8.238 0.434 1.00 0.00 C ATOM 1002 CG1 VAL A 76 0.606 -9.368 -0.583 1.00 0.00 C ATOM 1003 CG2 VAL A 76 -0.183 -7.036 -0.165 1.00 0.00 C ATOM 0 H VAL A 76 0.555 -6.922 2.570 1.00 0.00 H new ATOM 0 HA VAL A 76 -1.248 -8.821 1.507 1.00 0.00 H new ATOM 0 HB VAL A 76 1.548 -7.949 0.697 1.00 0.00 H new ATOM 0 HG11 VAL A 76 1.115 -9.016 -1.480 1.00 0.00 H new ATOM 0 HG12 VAL A 76 1.159 -10.205 -0.157 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -0.402 -9.693 -0.841 1.00 0.00 H new ATOM 0 HG21 VAL A 76 0.333 -6.722 -1.072 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -1.211 -7.306 -0.407 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -0.183 -6.217 0.554 1.00 0.00 H new ATOM 1013 N VAL A 77 1.571 -10.006 2.790 1.00 0.00 N ATOM 1014 CA VAL A 77 2.235 -11.214 3.285 1.00 0.00 C ATOM 1015 C VAL A 77 1.374 -11.923 4.333 1.00 0.00 C ATOM 1016 O VAL A 77 1.301 -13.153 4.362 1.00 0.00 O ATOM 1017 CB VAL A 77 3.619 -10.882 3.892 1.00 0.00 C ATOM 1018 CG1 VAL A 77 4.129 -12.024 4.758 1.00 0.00 C ATOM 1019 CG2 VAL A 77 4.621 -10.563 2.795 1.00 0.00 C ATOM 0 H VAL A 77 2.092 -9.146 2.960 1.00 0.00 H new ATOM 0 HA VAL A 77 2.375 -11.879 2.432 1.00 0.00 H new ATOM 0 HB VAL A 77 3.502 -10.003 4.526 1.00 0.00 H new ATOM 0 HG11 VAL A 77 5.103 -11.761 5.170 1.00 0.00 H new ATOM 0 HG12 VAL A 77 3.427 -12.205 5.572 1.00 0.00 H new ATOM 0 HG13 VAL A 77 4.223 -12.926 4.153 1.00 0.00 H new ATOM 0 HG21 VAL A 77 5.588 -10.332 3.242 1.00 0.00 H new ATOM 0 HG22 VAL A 77 4.723 -11.423 2.134 1.00 0.00 H new ATOM 0 HG23 VAL A 77 4.272 -9.704 2.222 1.00 0.00 H new ATOM 1029 N GLU A 78 0.725 -11.134 5.188 1.00 0.00 N ATOM 1030 CA GLU A 78 -0.140 -11.670 6.235 1.00 0.00 C ATOM 1031 C GLU A 78 -1.512 -12.043 5.660 1.00 0.00 C ATOM 1032 O GLU A 78 -2.093 -13.063 6.035 1.00 0.00 O ATOM 1033 CB GLU A 78 -0.291 -10.648 7.368 1.00 0.00 C ATOM 1034 CG GLU A 78 0.929 -10.565 8.284 1.00 0.00 C ATOM 1035 CD GLU A 78 1.474 -9.155 8.426 1.00 0.00 C ATOM 1036 OE1 GLU A 78 0.689 -8.243 8.756 1.00 0.00 O ATOM 1037 OE2 GLU A 78 2.692 -8.963 8.213 1.00 0.00 O ATOM 0 H GLU A 78 0.783 -10.116 5.175 1.00 0.00 H new ATOM 0 HA GLU A 78 0.318 -12.573 6.638 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -0.478 -9.665 6.936 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -1.166 -10.906 7.965 1.00 0.00 H new ATOM 0 HG2 GLU A 78 0.662 -10.946 9.270 1.00 0.00 H new ATOM 0 HG3 GLU A 78 1.713 -11.213 7.894 1.00 0.00 H new ATOM 1044 N GLN A 79 -2.019 -11.212 4.739 1.00 0.00 N ATOM 1045 CA GLN A 79 -3.315 -11.447 4.097 1.00 0.00 C ATOM 1046 C GLN A 79 -3.357 -12.840 3.453 1.00 0.00 C ATOM 1047 O GLN A 79 -2.488 -13.197 2.656 1.00 0.00 O ATOM 1048 CB GLN A 79 -3.588 -10.352 3.045 1.00 0.00 C ATOM 1049 CG GLN A 79 -4.736 -10.668 2.082 1.00 0.00 C ATOM 1050 CD GLN A 79 -6.037 -9.950 2.416 1.00 0.00 C ATOM 1051 OE1 GLN A 79 -7.103 -10.563 2.444 1.00 0.00 O ATOM 1052 NE2 GLN A 79 -5.963 -8.647 2.654 1.00 0.00 N ATOM 0 H GLN A 79 -1.546 -10.366 4.422 1.00 0.00 H new ATOM 0 HA GLN A 79 -4.095 -11.404 4.857 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -3.810 -9.418 3.561 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -2.679 -10.188 2.466 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -4.433 -10.398 1.070 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -4.915 -11.743 2.085 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -5.060 -8.173 2.622 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -6.809 -8.119 2.869 1.00 0.00 H new ATOM 1061 N LEU A 80 -4.378 -13.617 3.810 1.00 0.00 N ATOM 1062 CA LEU A 80 -4.547 -14.967 3.277 1.00 0.00 C ATOM 1063 C LEU A 80 -5.574 -14.977 2.139 1.00 0.00 C ATOM 1064 O LEU A 80 -5.899 -13.929 1.577 1.00 0.00 O ATOM 1065 CB LEU A 80 -4.970 -15.923 4.401 1.00 0.00 C ATOM 1066 CG LEU A 80 -4.254 -17.275 4.410 1.00 0.00 C ATOM 1067 CD1 LEU A 80 -2.954 -17.181 5.190 1.00 0.00 C ATOM 1068 CD2 LEU A 80 -5.151 -18.348 5.004 1.00 0.00 C ATOM 0 H LEU A 80 -5.103 -13.333 4.469 1.00 0.00 H new ATOM 0 HA LEU A 80 -3.594 -15.305 2.870 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -4.797 -15.432 5.358 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -6.043 -16.099 4.322 1.00 0.00 H new ATOM 0 HG LEU A 80 -4.022 -17.549 3.381 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.457 -18.151 5.187 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.304 -16.439 4.726 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -3.167 -16.886 6.217 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.626 -19.303 5.003 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -5.412 -18.079 6.028 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -6.060 -18.433 4.409 1.00 0.00 H new ATOM 1080 N GLU A 81 -6.087 -16.161 1.800 1.00 0.00 N ATOM 1081 CA GLU A 81 -7.075 -16.289 0.728 1.00 0.00 C ATOM 1082 C GLU A 81 -8.445 -15.742 1.154 1.00 0.00 C ATOM 1083 O GLU A 81 -9.437 -16.472 1.194 1.00 0.00 O ATOM 1084 CB GLU A 81 -7.195 -17.753 0.288 1.00 0.00 C ATOM 1085 CG GLU A 81 -7.380 -17.921 -1.214 1.00 0.00 C ATOM 1086 CD GLU A 81 -7.836 -19.314 -1.598 1.00 0.00 C ATOM 1087 OE1 GLU A 81 -6.984 -20.223 -1.646 1.00 0.00 O ATOM 1088 OE2 GLU A 81 -9.046 -19.491 -1.854 1.00 0.00 O ATOM 0 H GLU A 81 -5.836 -17.041 2.250 1.00 0.00 H new ATOM 0 HA GLU A 81 -6.730 -15.692 -0.116 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -6.300 -18.292 0.599 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -8.039 -18.211 0.804 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -8.110 -17.194 -1.569 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -6.439 -17.700 -1.718 1.00 0.00 H new ATOM 1095 N GLU A 82 -8.489 -14.446 1.464 1.00 0.00 N ATOM 1096 CA GLU A 82 -9.732 -13.790 1.874 1.00 0.00 C ATOM 1097 C GLU A 82 -10.171 -12.780 0.813 1.00 0.00 C ATOM 1098 O GLU A 82 -11.143 -13.011 0.092 1.00 0.00 O ATOM 1099 CB GLU A 82 -9.554 -13.100 3.231 1.00 0.00 C ATOM 1100 CG GLU A 82 -10.277 -13.804 4.370 1.00 0.00 C ATOM 1101 CD GLU A 82 -10.013 -13.165 5.718 1.00 0.00 C ATOM 1102 OE1 GLU A 82 -10.704 -12.180 6.055 1.00 0.00 O ATOM 1103 OE2 GLU A 82 -9.117 -13.651 6.438 1.00 0.00 O ATOM 0 H GLU A 82 -7.677 -13.829 1.439 1.00 0.00 H new ATOM 0 HA GLU A 82 -10.508 -14.548 1.975 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -8.491 -13.045 3.465 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -9.918 -12.075 3.159 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -11.349 -13.796 4.173 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -9.966 -14.848 4.401 1.00 0.00 H new ATOM 1110 N SER A 83 -9.434 -11.671 0.711 1.00 0.00 N ATOM 1111 CA SER A 83 -9.730 -10.628 -0.275 1.00 0.00 C ATOM 1112 C SER A 83 -11.058 -9.917 0.011 1.00 0.00 C ATOM 1113 O SER A 83 -11.579 -9.971 1.126 1.00 0.00 O ATOM 1114 CB SER A 83 -9.755 -11.224 -1.685 1.00 0.00 C ATOM 1115 OG SER A 83 -9.655 -10.200 -2.663 1.00 0.00 O ATOM 0 H SER A 83 -8.626 -11.472 1.301 1.00 0.00 H new ATOM 0 HA SER A 83 -8.936 -9.885 -0.203 1.00 0.00 H new ATOM 0 HB2 SER A 83 -8.931 -11.928 -1.803 1.00 0.00 H new ATOM 0 HB3 SER A 83 -10.678 -11.786 -1.832 1.00 0.00 H new ATOM 0 HG SER A 83 -9.671 -10.600 -3.558 1.00 0.00 H new ATOM 1121 N ARG A 84 -11.590 -9.238 -1.012 1.00 0.00 N ATOM 1122 CA ARG A 84 -12.846 -8.495 -0.889 1.00 0.00 C ATOM 1123 C ARG A 84 -12.739 -7.430 0.204 1.00 0.00 C ATOM 1124 O ARG A 84 -13.465 -7.467 1.206 1.00 0.00 O ATOM 1125 CB ARG A 84 -14.015 -9.447 -0.607 1.00 0.00 C ATOM 1126 CG ARG A 84 -15.359 -8.924 -1.100 1.00 0.00 C ATOM 1127 CD ARG A 84 -16.192 -8.346 0.036 1.00 0.00 C ATOM 1128 NE ARG A 84 -16.655 -6.981 -0.260 1.00 0.00 N ATOM 1129 CZ ARG A 84 -16.314 -5.895 0.433 1.00 0.00 C ATOM 1130 NH1 ARG A 84 -15.487 -5.970 1.456 1.00 0.00 N ATOM 1131 NH2 ARG A 84 -16.786 -4.717 0.083 1.00 0.00 N ATOM 0 H ARG A 84 -11.166 -9.189 -1.938 1.00 0.00 H new ATOM 0 HA ARG A 84 -13.039 -7.992 -1.837 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -13.813 -10.408 -1.080 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -14.076 -9.627 0.466 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -15.195 -8.157 -1.857 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -15.910 -9.733 -1.580 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -17.053 -8.989 0.218 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -15.601 -8.338 0.952 1.00 0.00 H new ATOM 0 HE ARG A 84 -17.283 -6.857 -1.054 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -15.095 -6.871 1.730 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -15.238 -5.127 1.974 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -17.412 -4.636 -0.718 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -16.526 -3.885 0.613 1.00 0.00 H new ATOM 1145 N GLN A 85 -11.819 -6.481 0.004 1.00 0.00 N ATOM 1146 CA GLN A 85 -11.597 -5.402 0.967 1.00 0.00 C ATOM 1147 C GLN A 85 -11.053 -5.960 2.290 1.00 0.00 C ATOM 1148 O GLN A 85 -10.551 -7.083 2.333 1.00 0.00 O ATOM 1149 CB GLN A 85 -12.905 -4.637 1.196 1.00 0.00 C ATOM 1150 CG GLN A 85 -12.811 -3.144 0.921 1.00 0.00 C ATOM 1151 CD GLN A 85 -14.123 -2.421 1.161 1.00 0.00 C ATOM 1152 OE1 GLN A 85 -15.184 -3.043 1.277 1.00 0.00 O ATOM 1153 NE2 GLN A 85 -14.062 -1.100 1.233 1.00 0.00 N ATOM 0 H GLN A 85 -11.216 -6.440 -0.818 1.00 0.00 H new ATOM 0 HA GLN A 85 -10.853 -4.715 0.564 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -13.679 -5.064 0.559 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -13.224 -4.786 2.228 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -12.040 -2.709 1.557 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -12.498 -2.988 -0.111 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -13.165 -0.625 1.132 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -14.912 -0.558 1.390 1.00 0.00 H new ATOM 1162 N ARG A 86 -11.156 -5.170 3.364 1.00 0.00 N ATOM 1163 CA ARG A 86 -10.673 -5.592 4.684 1.00 0.00 C ATOM 1164 C ARG A 86 -9.146 -5.718 4.705 1.00 0.00 C ATOM 1165 O ARG A 86 -8.490 -5.563 3.674 1.00 0.00 O ATOM 1166 CB ARG A 86 -11.319 -6.926 5.084 1.00 0.00 C ATOM 1167 CG ARG A 86 -11.779 -6.974 6.533 1.00 0.00 C ATOM 1168 CD ARG A 86 -13.264 -7.284 6.634 1.00 0.00 C ATOM 1169 NE ARG A 86 -13.720 -7.309 8.027 1.00 0.00 N ATOM 1170 CZ ARG A 86 -14.002 -6.227 8.747 1.00 0.00 C ATOM 1171 NH1 ARG A 86 -13.880 -5.024 8.223 1.00 0.00 N ATOM 1172 NH2 ARG A 86 -14.407 -6.356 9.996 1.00 0.00 N ATOM 0 H ARG A 86 -11.568 -4.237 3.346 1.00 0.00 H new ATOM 0 HA ARG A 86 -10.958 -4.826 5.406 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -12.174 -7.114 4.435 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -10.605 -7.731 4.912 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -11.210 -7.732 7.072 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -11.572 -6.018 7.014 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -13.830 -6.536 6.079 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -13.467 -8.248 6.167 1.00 0.00 H new ATOM 0 HE ARG A 86 -13.828 -8.219 8.475 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -13.567 -4.917 7.258 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -14.098 -4.200 8.782 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -14.503 -7.284 10.408 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -14.624 -5.527 10.550 1.00 0.00 H new ATOM 1186 N LEU A 87 -8.595 -5.995 5.892 1.00 0.00 N ATOM 1187 CA LEU A 87 -7.147 -6.145 6.081 1.00 0.00 C ATOM 1188 C LEU A 87 -6.343 -5.215 5.162 1.00 0.00 C ATOM 1189 O LEU A 87 -5.623 -5.667 4.271 1.00 0.00 O ATOM 1190 CB LEU A 87 -6.732 -7.604 5.864 1.00 0.00 C ATOM 1191 CG LEU A 87 -5.559 -8.075 6.726 1.00 0.00 C ATOM 1192 CD1 LEU A 87 -5.952 -9.286 7.555 1.00 0.00 C ATOM 1193 CD2 LEU A 87 -4.354 -8.396 5.857 1.00 0.00 C ATOM 0 H LEU A 87 -9.138 -6.121 6.746 1.00 0.00 H new ATOM 0 HA LEU A 87 -6.921 -5.857 7.108 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -7.591 -8.244 6.064 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -6.470 -7.740 4.815 1.00 0.00 H new ATOM 0 HG LEU A 87 -5.291 -7.267 7.406 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -5.103 -9.604 8.160 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -6.785 -9.025 8.208 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -6.250 -10.099 6.893 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -3.529 -8.729 6.487 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -4.614 -9.185 5.152 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -4.053 -7.504 5.308 1.00 0.00 H new ATOM 1205 N SER A 88 -6.475 -3.912 5.394 1.00 0.00 N ATOM 1206 CA SER A 88 -5.769 -2.904 4.605 1.00 0.00 C ATOM 1207 C SER A 88 -5.404 -1.705 5.478 1.00 0.00 C ATOM 1208 O SER A 88 -6.221 -0.802 5.667 1.00 0.00 O ATOM 1209 CB SER A 88 -6.629 -2.457 3.421 1.00 0.00 C ATOM 1210 OG SER A 88 -5.821 -2.023 2.337 1.00 0.00 O ATOM 0 H SER A 88 -7.069 -3.526 6.128 1.00 0.00 H new ATOM 0 HA SER A 88 -4.850 -3.346 4.220 1.00 0.00 H new ATOM 0 HB2 SER A 88 -7.265 -3.281 3.098 1.00 0.00 H new ATOM 0 HB3 SER A 88 -7.290 -1.648 3.733 1.00 0.00 H new ATOM 0 HG SER A 88 -6.394 -1.744 1.593 1.00 0.00 H new ATOM 1216 N ARG A 89 -4.182 -1.726 6.021 1.00 0.00 N ATOM 1217 CA ARG A 89 -3.680 -0.664 6.905 1.00 0.00 C ATOM 1218 C ARG A 89 -4.123 -0.896 8.352 1.00 0.00 C ATOM 1219 O ARG A 89 -5.260 -1.371 8.561 1.00 0.00 O ATOM 1220 CB ARG A 89 -4.136 0.725 6.426 1.00 0.00 C ATOM 1221 CG ARG A 89 -3.530 1.880 7.213 1.00 0.00 C ATOM 1222 CD ARG A 89 -2.025 1.729 7.374 1.00 0.00 C ATOM 1223 NE ARG A 89 -1.355 1.518 6.086 1.00 0.00 N ATOM 1224 CZ ARG A 89 -1.069 2.481 5.221 1.00 0.00 C ATOM 1225 NH1 ARG A 89 -1.377 3.737 5.487 1.00 0.00 N ATOM 1226 NH2 ARG A 89 -0.483 2.180 4.079 1.00 0.00 N ATOM 0 H ARG A 89 -3.512 -2.478 5.861 1.00 0.00 H new ATOM 0 HA ARG A 89 -2.591 -0.698 6.867 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -3.875 0.839 5.374 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -5.222 0.783 6.493 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -3.748 2.819 6.705 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -3.997 1.933 8.197 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -1.620 2.621 7.852 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -1.813 0.889 8.035 1.00 0.00 H new ATOM 0 HE ARG A 89 -1.091 0.564 5.839 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -1.839 3.974 6.365 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -1.153 4.471 4.815 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -0.252 1.210 3.865 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -0.261 2.917 3.410 1.00 0.00 H new TER 1240 ARG A 89