USER MOD reduce.3.24.130724 H: found=0, std=0, add=645, rem=0, adj=12 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 Set 1.1: A 39 GLN : amide:sc= 0.724 K(o=1.3,f=-0.79!) USER MOD Set 1.2: A 43 THR OG1 : rot -130:sc= 0.561 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0.148 USER MOD Single : A 25 MET CE :methyl -141:sc= -0.457 (180deg=-3.36!) USER MOD Single : A 40 MET CE :methyl 167:sc= -0.0381 (180deg=-0.305) USER MOD Single : A 44 MET CE :methyl -147:sc= 0 (180deg=-0.106) USER MOD Single : A 47 HIS : no HD1:sc= 0.532 K(o=0.53,f=-5.3!) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0.44 USER MOD Single : A 58 SER OG : rot 180:sc= -0.0322 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot -41:sc= 1.09 USER MOD Single : A 79 GLN : amide:sc= -2.63! C(o=-2.6!,f=-8.9!) USER MOD Single : A 83 SER OG : rot -129:sc= 0.425 USER MOD Single : A 85 GLN : amide:sc= -0.262 K(o=-0.26,f=-9.6!) USER MOD Single : A 88 SER OG : rot 56:sc= 0.365 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 15 -21.103 -14.002 0.452 1.00 0.00 N ATOM 2 CA MET A 15 -19.982 -14.830 -0.081 1.00 0.00 C ATOM 3 C MET A 15 -18.638 -14.118 0.089 1.00 0.00 C ATOM 4 O MET A 15 -18.596 -12.910 0.325 1.00 0.00 O ATOM 5 CB MET A 15 -20.246 -15.117 -1.565 1.00 0.00 C ATOM 6 CG MET A 15 -20.817 -16.503 -1.828 1.00 0.00 C ATOM 7 SD MET A 15 -22.343 -16.808 -0.917 1.00 0.00 S ATOM 8 CE MET A 15 -22.883 -18.342 -1.665 1.00 0.00 C ATOM 0 HA MET A 15 -19.931 -15.764 0.478 1.00 0.00 H new ATOM 0 HB2 MET A 15 -20.938 -14.369 -1.953 1.00 0.00 H new ATOM 0 HB3 MET A 15 -19.314 -15.007 -2.119 1.00 0.00 H new ATOM 0 HG2 MET A 15 -21.006 -16.618 -2.895 1.00 0.00 H new ATOM 0 HG3 MET A 15 -20.077 -17.255 -1.553 1.00 0.00 H new ATOM 0 HE1 MET A 15 -23.819 -18.661 -1.206 1.00 0.00 H new ATOM 0 HE2 MET A 15 -23.036 -18.192 -2.734 1.00 0.00 H new ATOM 0 HE3 MET A 15 -22.124 -19.109 -1.512 1.00 0.00 H new ATOM 18 N MET A 16 -17.547 -14.873 -0.031 1.00 0.00 N ATOM 19 CA MET A 16 -16.201 -14.312 0.110 1.00 0.00 C ATOM 20 C MET A 16 -15.877 -13.351 -1.038 1.00 0.00 C ATOM 21 O MET A 16 -16.409 -13.482 -2.141 1.00 0.00 O ATOM 22 CB MET A 16 -15.159 -15.438 0.163 1.00 0.00 C ATOM 23 CG MET A 16 -15.165 -16.340 -1.063 1.00 0.00 C ATOM 24 SD MET A 16 -16.088 -17.866 -0.795 1.00 0.00 S ATOM 25 CE MET A 16 -16.794 -18.128 -2.420 1.00 0.00 C ATOM 0 H MET A 16 -17.567 -15.874 -0.225 1.00 0.00 H new ATOM 0 HA MET A 16 -16.168 -13.749 1.043 1.00 0.00 H new ATOM 0 HB2 MET A 16 -14.168 -14.998 0.274 1.00 0.00 H new ATOM 0 HB3 MET A 16 -15.339 -16.045 1.050 1.00 0.00 H new ATOM 0 HG2 MET A 16 -15.599 -15.800 -1.905 1.00 0.00 H new ATOM 0 HG3 MET A 16 -14.138 -16.584 -1.336 1.00 0.00 H new ATOM 0 HE1 MET A 16 -17.394 -19.038 -2.413 1.00 0.00 H new ATOM 0 HE2 MET A 16 -17.424 -17.279 -2.684 1.00 0.00 H new ATOM 0 HE3 MET A 16 -15.993 -18.227 -3.153 1.00 0.00 H new ATOM 35 N LYS A 17 -14.998 -12.386 -0.769 1.00 0.00 N ATOM 36 CA LYS A 17 -14.599 -11.407 -1.780 1.00 0.00 C ATOM 37 C LYS A 17 -13.251 -11.780 -2.403 1.00 0.00 C ATOM 38 O LYS A 17 -13.158 -11.988 -3.611 1.00 0.00 O ATOM 39 CB LYS A 17 -14.536 -10.003 -1.166 1.00 0.00 C ATOM 40 CG LYS A 17 -15.209 -8.936 -2.016 1.00 0.00 C ATOM 41 CD LYS A 17 -16.726 -9.021 -1.922 1.00 0.00 C ATOM 42 CE LYS A 17 -17.396 -8.544 -3.201 1.00 0.00 C ATOM 43 NZ LYS A 17 -18.778 -8.041 -2.950 1.00 0.00 N ATOM 0 H LYS A 17 -14.549 -12.261 0.139 1.00 0.00 H new ATOM 0 HA LYS A 17 -15.349 -11.410 -2.571 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -15.007 -10.024 -0.183 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -13.492 -9.729 -1.013 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -14.878 -7.949 -1.692 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -14.901 -9.050 -3.055 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -17.021 -10.050 -1.719 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -17.073 -8.418 -1.083 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -16.797 -7.752 -3.651 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -17.432 -9.363 -3.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -19.201 -7.725 -3.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -19.357 -8.804 -2.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -18.741 -7.243 -2.284 1.00 0.00 H new ATOM 57 N LEU A 18 -12.213 -11.875 -1.569 1.00 0.00 N ATOM 58 CA LEU A 18 -10.877 -12.236 -2.043 1.00 0.00 C ATOM 59 C LEU A 18 -10.794 -13.739 -2.316 1.00 0.00 C ATOM 60 O LEU A 18 -10.484 -14.161 -3.428 1.00 0.00 O ATOM 61 CB LEU A 18 -9.818 -11.819 -1.015 1.00 0.00 C ATOM 62 CG LEU A 18 -8.384 -11.772 -1.543 1.00 0.00 C ATOM 63 CD1 LEU A 18 -7.711 -10.471 -1.142 1.00 0.00 C ATOM 64 CD2 LEU A 18 -7.586 -12.960 -1.030 1.00 0.00 C ATOM 0 H LEU A 18 -12.273 -11.707 -0.565 1.00 0.00 H new ATOM 0 HA LEU A 18 -10.684 -11.706 -2.976 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -10.078 -10.834 -0.628 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -9.857 -12.512 -0.175 1.00 0.00 H new ATOM 0 HG LEU A 18 -8.419 -11.823 -2.631 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -6.691 -10.455 -1.526 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -8.268 -9.631 -1.556 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -7.690 -10.392 -0.055 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -6.568 -12.909 -1.417 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -7.562 -12.939 0.060 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -8.055 -13.885 -1.365 1.00 0.00 H new ATOM 76 N GLY A 19 -11.087 -14.537 -1.288 1.00 0.00 N ATOM 77 CA GLY A 19 -11.056 -15.987 -1.426 1.00 0.00 C ATOM 78 C GLY A 19 -9.647 -16.548 -1.457 1.00 0.00 C ATOM 79 O GLY A 19 -9.242 -17.153 -2.451 1.00 0.00 O ATOM 0 H GLY A 19 -11.346 -14.204 -0.359 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -11.603 -16.437 -0.597 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -11.575 -16.271 -2.342 1.00 0.00 H new ATOM 83 N LEU A 20 -8.903 -16.349 -0.368 1.00 0.00 N ATOM 84 CA LEU A 20 -7.523 -16.836 -0.262 1.00 0.00 C ATOM 85 C LEU A 20 -7.459 -18.372 -0.234 1.00 0.00 C ATOM 86 O LEU A 20 -6.942 -18.972 0.710 1.00 0.00 O ATOM 87 CB LEU A 20 -6.853 -16.252 0.989 1.00 0.00 C ATOM 88 CG LEU A 20 -7.592 -16.511 2.305 1.00 0.00 C ATOM 89 CD1 LEU A 20 -6.642 -17.076 3.347 1.00 0.00 C ATOM 90 CD2 LEU A 20 -8.242 -15.234 2.814 1.00 0.00 C ATOM 0 H LEU A 20 -9.234 -15.851 0.459 1.00 0.00 H new ATOM 0 HA LEU A 20 -6.984 -16.502 -1.149 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -5.847 -16.664 1.069 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -6.747 -15.175 0.856 1.00 0.00 H new ATOM 0 HG LEU A 20 -8.376 -17.245 2.119 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -7.184 -17.254 4.276 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -6.223 -18.015 2.986 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -5.836 -16.365 3.528 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -8.762 -15.439 3.750 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -7.475 -14.478 2.983 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -8.955 -14.869 2.075 1.00 0.00 H new ATOM 102 N VAL A 21 -7.982 -18.993 -1.287 1.00 0.00 N ATOM 103 CA VAL A 21 -7.994 -20.449 -1.420 1.00 0.00 C ATOM 104 C VAL A 21 -7.867 -20.841 -2.891 1.00 0.00 C ATOM 105 O VAL A 21 -6.925 -21.529 -3.282 1.00 0.00 O ATOM 106 CB VAL A 21 -9.283 -21.070 -0.831 1.00 0.00 C ATOM 107 CG1 VAL A 21 -9.235 -22.591 -0.908 1.00 0.00 C ATOM 108 CG2 VAL A 21 -9.492 -20.621 0.607 1.00 0.00 C ATOM 0 H VAL A 21 -8.410 -18.503 -2.073 1.00 0.00 H new ATOM 0 HA VAL A 21 -7.144 -20.836 -0.857 1.00 0.00 H new ATOM 0 HB VAL A 21 -10.126 -20.720 -1.427 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -10.151 -23.006 -0.488 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -9.141 -22.900 -1.949 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -8.379 -22.957 -0.342 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -10.404 -21.070 1.000 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -8.643 -20.935 1.213 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -9.579 -19.535 0.640 1.00 0.00 H new ATOM 118 N ARG A 22 -8.814 -20.371 -3.706 1.00 0.00 N ATOM 119 CA ARG A 22 -8.803 -20.648 -5.142 1.00 0.00 C ATOM 120 C ARG A 22 -7.891 -19.660 -5.876 1.00 0.00 C ATOM 121 O ARG A 22 -7.263 -20.006 -6.877 1.00 0.00 O ATOM 122 CB ARG A 22 -10.225 -20.578 -5.710 1.00 0.00 C ATOM 123 CG ARG A 22 -11.016 -21.867 -5.535 1.00 0.00 C ATOM 124 CD ARG A 22 -11.120 -22.639 -6.842 1.00 0.00 C ATOM 125 NE ARG A 22 -11.753 -23.950 -6.655 1.00 0.00 N ATOM 126 CZ ARG A 22 -11.971 -24.820 -7.633 1.00 0.00 C ATOM 127 NH1 ARG A 22 -11.615 -24.539 -8.873 1.00 0.00 N ATOM 128 NH2 ARG A 22 -12.546 -25.977 -7.370 1.00 0.00 N ATOM 0 H ARG A 22 -9.598 -19.797 -3.395 1.00 0.00 H new ATOM 0 HA ARG A 22 -8.414 -21.655 -5.293 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -10.762 -19.763 -5.224 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -10.172 -20.336 -6.771 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -10.536 -22.490 -4.780 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -12.016 -21.635 -5.168 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -11.696 -22.057 -7.562 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -10.124 -22.774 -7.264 1.00 0.00 H new ATOM 0 HE ARG A 22 -12.044 -24.209 -5.712 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -11.168 -23.647 -9.086 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -11.787 -25.214 -9.618 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -12.823 -26.203 -6.415 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -12.714 -26.646 -8.122 1.00 0.00 H new ATOM 142 N PHE A 23 -7.819 -18.428 -5.366 1.00 0.00 N ATOM 143 CA PHE A 23 -6.978 -17.395 -5.965 1.00 0.00 C ATOM 144 C PHE A 23 -6.289 -16.559 -4.887 1.00 0.00 C ATOM 145 O PHE A 23 -6.779 -16.453 -3.760 1.00 0.00 O ATOM 146 CB PHE A 23 -7.808 -16.494 -6.883 1.00 0.00 C ATOM 147 CG PHE A 23 -7.240 -16.367 -8.266 1.00 0.00 C ATOM 148 CD1 PHE A 23 -7.356 -17.408 -9.172 1.00 0.00 C ATOM 149 CD2 PHE A 23 -6.587 -15.210 -8.660 1.00 0.00 C ATOM 150 CE1 PHE A 23 -6.832 -17.298 -10.446 1.00 0.00 C ATOM 151 CE2 PHE A 23 -6.061 -15.094 -9.933 1.00 0.00 C ATOM 152 CZ PHE A 23 -6.185 -16.139 -10.827 1.00 0.00 C ATOM 0 H PHE A 23 -8.334 -18.124 -4.540 1.00 0.00 H new ATOM 0 HA PHE A 23 -6.209 -17.889 -6.559 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -8.821 -16.890 -6.949 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -7.882 -15.503 -6.436 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -7.862 -18.316 -8.879 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -6.488 -14.390 -7.965 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -6.928 -18.117 -11.143 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -5.554 -14.187 -10.228 1.00 0.00 H new ATOM 0 HZ PHE A 23 -5.777 -16.050 -11.823 1.00 0.00 H new ATOM 162 N SER A 24 -5.148 -15.971 -5.240 1.00 0.00 N ATOM 163 CA SER A 24 -4.381 -15.143 -4.305 1.00 0.00 C ATOM 164 C SER A 24 -3.308 -14.335 -5.037 1.00 0.00 C ATOM 165 O SER A 24 -3.256 -14.335 -6.271 1.00 0.00 O ATOM 166 CB SER A 24 -3.730 -16.021 -3.233 1.00 0.00 C ATOM 167 OG SER A 24 -3.401 -15.258 -2.084 1.00 0.00 O ATOM 0 H SER A 24 -4.732 -16.051 -6.168 1.00 0.00 H new ATOM 0 HA SER A 24 -5.071 -14.446 -3.829 1.00 0.00 H new ATOM 0 HB2 SER A 24 -4.409 -16.828 -2.956 1.00 0.00 H new ATOM 0 HB3 SER A 24 -2.830 -16.486 -3.635 1.00 0.00 H new ATOM 0 HG SER A 24 -2.988 -15.840 -1.412 1.00 0.00 H new ATOM 173 N MET A 25 -2.453 -13.652 -4.269 1.00 0.00 N ATOM 174 CA MET A 25 -1.363 -12.840 -4.828 1.00 0.00 C ATOM 175 C MET A 25 -1.889 -11.674 -5.674 1.00 0.00 C ATOM 176 O MET A 25 -1.713 -10.508 -5.315 1.00 0.00 O ATOM 177 CB MET A 25 -0.419 -13.719 -5.658 1.00 0.00 C ATOM 178 CG MET A 25 0.182 -14.878 -4.875 1.00 0.00 C ATOM 179 SD MET A 25 -0.432 -16.482 -5.425 1.00 0.00 S ATOM 180 CE MET A 25 0.931 -17.544 -4.954 1.00 0.00 C ATOM 0 H MET A 25 -2.494 -13.645 -3.250 1.00 0.00 H new ATOM 0 HA MET A 25 -0.812 -12.411 -3.991 1.00 0.00 H new ATOM 0 HB2 MET A 25 -0.964 -14.115 -6.515 1.00 0.00 H new ATOM 0 HB3 MET A 25 0.388 -13.100 -6.051 1.00 0.00 H new ATOM 0 HG2 MET A 25 1.267 -14.855 -4.975 1.00 0.00 H new ATOM 0 HG3 MET A 25 -0.043 -14.751 -3.816 1.00 0.00 H new ATOM 0 HE1 MET A 25 1.088 -18.298 -5.725 1.00 0.00 H new ATOM 0 HE2 MET A 25 1.836 -16.947 -4.841 1.00 0.00 H new ATOM 0 HE3 MET A 25 0.700 -18.034 -4.008 1.00 0.00 H new ATOM 190 N LEU A 26 -2.541 -11.996 -6.792 1.00 0.00 N ATOM 191 CA LEU A 26 -3.099 -10.978 -7.683 1.00 0.00 C ATOM 192 C LEU A 26 -4.216 -10.198 -6.991 1.00 0.00 C ATOM 193 O LEU A 26 -4.307 -8.977 -7.133 1.00 0.00 O ATOM 194 CB LEU A 26 -3.634 -11.622 -8.969 1.00 0.00 C ATOM 195 CG LEU A 26 -2.594 -11.875 -10.064 1.00 0.00 C ATOM 196 CD1 LEU A 26 -1.713 -10.652 -10.270 1.00 0.00 C ATOM 197 CD2 LEU A 26 -1.748 -13.090 -9.726 1.00 0.00 C ATOM 0 H LEU A 26 -2.696 -12.955 -7.102 1.00 0.00 H new ATOM 0 HA LEU A 26 -2.298 -10.284 -7.939 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.102 -12.572 -8.711 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.416 -10.982 -9.377 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.125 -12.071 -10.996 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.983 -10.857 -11.053 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.331 -9.804 -10.564 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.193 -10.418 -9.341 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.015 -13.254 -10.516 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.232 -12.922 -8.781 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.389 -13.967 -9.639 1.00 0.00 H new ATOM 209 N LEU A 27 -5.058 -10.915 -6.238 1.00 0.00 N ATOM 210 CA LEU A 27 -6.174 -10.301 -5.514 1.00 0.00 C ATOM 211 C LEU A 27 -5.729 -9.058 -4.738 1.00 0.00 C ATOM 212 O LEU A 27 -6.490 -8.095 -4.608 1.00 0.00 O ATOM 213 CB LEU A 27 -6.810 -11.320 -4.565 1.00 0.00 C ATOM 214 CG LEU A 27 -7.834 -12.251 -5.216 1.00 0.00 C ATOM 215 CD1 LEU A 27 -7.798 -13.623 -4.567 1.00 0.00 C ATOM 216 CD2 LEU A 27 -9.230 -11.657 -5.127 1.00 0.00 C ATOM 0 H LEU A 27 -4.986 -11.925 -6.115 1.00 0.00 H new ATOM 0 HA LEU A 27 -6.914 -9.984 -6.249 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -6.019 -11.926 -4.122 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -7.295 -10.783 -3.750 1.00 0.00 H new ATOM 0 HG LEU A 27 -7.574 -12.362 -6.269 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -8.534 -14.271 -5.044 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -6.804 -14.055 -4.684 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -8.030 -13.530 -3.506 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -9.944 -12.334 -5.596 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -9.499 -11.514 -4.080 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -9.250 -10.696 -5.641 1.00 0.00 H new ATOM 228 N ALA A 28 -4.489 -9.075 -4.237 1.00 0.00 N ATOM 229 CA ALA A 28 -3.941 -7.943 -3.491 1.00 0.00 C ATOM 230 C ALA A 28 -4.146 -6.624 -4.248 1.00 0.00 C ATOM 231 O ALA A 28 -4.354 -5.575 -3.632 1.00 0.00 O ATOM 232 CB ALA A 28 -2.465 -8.177 -3.199 1.00 0.00 C ATOM 0 H ALA A 28 -3.848 -9.862 -4.336 1.00 0.00 H new ATOM 0 HA ALA A 28 -4.478 -7.863 -2.546 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -2.065 -7.329 -2.643 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -2.351 -9.085 -2.607 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -1.921 -8.285 -4.137 1.00 0.00 H new ATOM 238 N LEU A 29 -4.110 -6.686 -5.587 1.00 0.00 N ATOM 239 CA LEU A 29 -4.315 -5.499 -6.426 1.00 0.00 C ATOM 240 C LEU A 29 -5.546 -4.715 -5.967 1.00 0.00 C ATOM 241 O LEU A 29 -5.515 -3.484 -5.896 1.00 0.00 O ATOM 242 CB LEU A 29 -4.469 -5.903 -7.898 1.00 0.00 C ATOM 243 CG LEU A 29 -4.896 -4.772 -8.843 1.00 0.00 C ATOM 244 CD1 LEU A 29 -3.846 -4.543 -9.915 1.00 0.00 C ATOM 245 CD2 LEU A 29 -6.240 -5.088 -9.477 1.00 0.00 C ATOM 0 H LEU A 29 -3.941 -7.545 -6.111 1.00 0.00 H new ATOM 0 HA LEU A 29 -3.439 -4.858 -6.325 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -3.520 -6.309 -8.248 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -5.203 -6.706 -7.963 1.00 0.00 H new ATOM 0 HG LEU A 29 -4.994 -3.857 -8.258 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -4.169 -3.737 -10.574 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -2.900 -4.271 -9.446 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -3.714 -5.456 -10.496 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -6.528 -4.275 -10.144 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -6.165 -6.015 -10.045 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -6.993 -5.201 -8.697 1.00 0.00 H new ATOM 257 N ALA A 30 -6.619 -5.438 -5.632 1.00 0.00 N ATOM 258 CA ALA A 30 -7.848 -4.808 -5.155 1.00 0.00 C ATOM 259 C ALA A 30 -7.559 -3.946 -3.926 1.00 0.00 C ATOM 260 O ALA A 30 -8.042 -2.816 -3.820 1.00 0.00 O ATOM 261 CB ALA A 30 -8.894 -5.869 -4.836 1.00 0.00 C ATOM 0 H ALA A 30 -6.659 -6.456 -5.683 1.00 0.00 H new ATOM 0 HA ALA A 30 -8.241 -4.163 -5.941 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -9.805 -5.387 -4.482 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -9.114 -6.445 -5.735 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -8.512 -6.536 -4.063 1.00 0.00 H new ATOM 267 N LEU A 31 -6.735 -4.478 -3.019 1.00 0.00 N ATOM 268 CA LEU A 31 -6.347 -3.752 -1.813 1.00 0.00 C ATOM 269 C LEU A 31 -5.485 -2.551 -2.190 1.00 0.00 C ATOM 270 O LEU A 31 -5.654 -1.462 -1.645 1.00 0.00 O ATOM 271 CB LEU A 31 -5.596 -4.675 -0.846 1.00 0.00 C ATOM 272 CG LEU A 31 -6.063 -4.600 0.609 1.00 0.00 C ATOM 273 CD1 LEU A 31 -5.888 -5.944 1.297 1.00 0.00 C ATOM 274 CD2 LEU A 31 -5.302 -3.517 1.355 1.00 0.00 C ATOM 0 H LEU A 31 -6.325 -5.409 -3.100 1.00 0.00 H new ATOM 0 HA LEU A 31 -7.246 -3.397 -1.309 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.700 -5.703 -1.193 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.534 -4.431 -0.885 1.00 0.00 H new ATOM 0 HG LEU A 31 -7.123 -4.346 0.617 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -6.226 -5.870 2.331 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -6.477 -6.699 0.776 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.836 -6.228 1.278 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.646 -3.477 2.388 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.236 -3.743 1.336 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.477 -2.554 0.876 1.00 0.00 H new ATOM 286 N VAL A 32 -4.584 -2.752 -3.155 1.00 0.00 N ATOM 287 CA VAL A 32 -3.724 -1.674 -3.637 1.00 0.00 C ATOM 288 C VAL A 32 -4.581 -0.524 -4.163 1.00 0.00 C ATOM 289 O VAL A 32 -4.414 0.628 -3.754 1.00 0.00 O ATOM 290 CB VAL A 32 -2.772 -2.162 -4.754 1.00 0.00 C ATOM 291 CG1 VAL A 32 -1.915 -1.019 -5.273 1.00 0.00 C ATOM 292 CG2 VAL A 32 -1.897 -3.301 -4.254 1.00 0.00 C ATOM 0 H VAL A 32 -4.433 -3.650 -3.615 1.00 0.00 H new ATOM 0 HA VAL A 32 -3.116 -1.332 -2.799 1.00 0.00 H new ATOM 0 HB VAL A 32 -3.381 -2.532 -5.579 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -1.254 -1.387 -6.058 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -2.558 -0.237 -5.677 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -1.318 -0.612 -4.457 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -1.235 -3.630 -5.055 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -1.301 -2.958 -3.408 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -2.527 -4.133 -3.940 1.00 0.00 H new ATOM 302 N VAL A 33 -5.528 -0.856 -5.048 1.00 0.00 N ATOM 303 CA VAL A 33 -6.442 0.139 -5.605 1.00 0.00 C ATOM 304 C VAL A 33 -7.223 0.820 -4.481 1.00 0.00 C ATOM 305 O VAL A 33 -7.281 2.051 -4.409 1.00 0.00 O ATOM 306 CB VAL A 33 -7.434 -0.492 -6.610 1.00 0.00 C ATOM 307 CG1 VAL A 33 -8.469 0.525 -7.067 1.00 0.00 C ATOM 308 CG2 VAL A 33 -6.692 -1.067 -7.808 1.00 0.00 C ATOM 0 H VAL A 33 -5.679 -1.805 -5.391 1.00 0.00 H new ATOM 0 HA VAL A 33 -5.840 0.874 -6.138 1.00 0.00 H new ATOM 0 HB VAL A 33 -7.955 -1.303 -6.102 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -9.154 0.055 -7.773 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -9.029 0.887 -6.205 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -7.967 1.363 -7.551 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -7.408 -1.506 -8.503 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -6.140 -0.272 -8.310 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -5.996 -1.835 -7.471 1.00 0.00 H new ATOM 318 N LEU A 34 -7.799 0.005 -3.590 1.00 0.00 N ATOM 319 CA LEU A 34 -8.552 0.522 -2.449 1.00 0.00 C ATOM 320 C LEU A 34 -7.699 1.513 -1.662 1.00 0.00 C ATOM 321 O LEU A 34 -8.153 2.609 -1.339 1.00 0.00 O ATOM 322 CB LEU A 34 -9.003 -0.623 -1.537 1.00 0.00 C ATOM 323 CG LEU A 34 -10.147 -1.478 -2.085 1.00 0.00 C ATOM 324 CD1 LEU A 34 -10.198 -2.817 -1.370 1.00 0.00 C ATOM 325 CD2 LEU A 34 -11.475 -0.750 -1.941 1.00 0.00 C ATOM 0 H LEU A 34 -7.756 -1.013 -3.640 1.00 0.00 H new ATOM 0 HA LEU A 34 -9.437 1.035 -2.824 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -8.148 -1.270 -1.342 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -9.310 -0.204 -0.579 1.00 0.00 H new ATOM 0 HG LEU A 34 -9.965 -1.657 -3.145 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -11.017 -3.413 -1.772 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -9.257 -3.346 -1.520 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -10.356 -2.654 -0.304 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -12.277 -1.374 -2.336 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -11.663 -0.541 -0.888 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -11.438 0.188 -2.496 1.00 0.00 H new ATOM 337 N ALA A 35 -6.452 1.126 -1.374 1.00 0.00 N ATOM 338 CA ALA A 35 -5.522 1.987 -0.646 1.00 0.00 C ATOM 339 C ALA A 35 -5.367 3.331 -1.356 1.00 0.00 C ATOM 340 O ALA A 35 -5.460 4.386 -0.728 1.00 0.00 O ATOM 341 CB ALA A 35 -4.170 1.299 -0.496 1.00 0.00 C ATOM 0 H ALA A 35 -6.065 0.219 -1.636 1.00 0.00 H new ATOM 0 HA ALA A 35 -5.927 2.172 0.349 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -3.488 1.952 0.048 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -4.295 0.366 0.054 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -3.759 1.086 -1.483 1.00 0.00 H new ATOM 347 N ILE A 36 -5.149 3.286 -2.673 1.00 0.00 N ATOM 348 CA ILE A 36 -5.005 4.502 -3.471 1.00 0.00 C ATOM 349 C ILE A 36 -6.276 5.347 -3.393 1.00 0.00 C ATOM 350 O ILE A 36 -6.216 6.545 -3.109 1.00 0.00 O ATOM 351 CB ILE A 36 -4.686 4.181 -4.952 1.00 0.00 C ATOM 352 CG1 ILE A 36 -3.348 3.442 -5.066 1.00 0.00 C ATOM 353 CG2 ILE A 36 -4.658 5.456 -5.785 1.00 0.00 C ATOM 354 CD1 ILE A 36 -2.162 4.248 -4.571 1.00 0.00 C ATOM 0 H ILE A 36 -5.069 2.421 -3.207 1.00 0.00 H new ATOM 0 HA ILE A 36 -4.168 5.064 -3.056 1.00 0.00 H new ATOM 0 HB ILE A 36 -5.474 3.534 -5.337 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -3.407 2.513 -4.499 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.181 3.169 -6.108 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.432 5.208 -6.822 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.630 5.946 -5.732 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -3.892 6.127 -5.397 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.251 3.661 -4.683 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -2.077 5.165 -5.154 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.305 4.498 -3.520 1.00 0.00 H new ATOM 366 N VAL A 37 -7.430 4.711 -3.626 1.00 0.00 N ATOM 367 CA VAL A 37 -8.719 5.405 -3.559 1.00 0.00 C ATOM 368 C VAL A 37 -8.894 6.061 -2.188 1.00 0.00 C ATOM 369 O VAL A 37 -9.179 7.260 -2.093 1.00 0.00 O ATOM 370 CB VAL A 37 -9.900 4.446 -3.824 1.00 0.00 C ATOM 371 CG1 VAL A 37 -11.230 5.151 -3.609 1.00 0.00 C ATOM 372 CG2 VAL A 37 -9.824 3.880 -5.235 1.00 0.00 C ATOM 0 H VAL A 37 -7.497 3.721 -3.862 1.00 0.00 H new ATOM 0 HA VAL A 37 -8.719 6.168 -4.337 1.00 0.00 H new ATOM 0 HB VAL A 37 -9.831 3.622 -3.114 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -12.046 4.455 -3.802 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -11.291 5.506 -2.580 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -11.307 5.998 -4.291 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -10.665 3.207 -5.403 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -9.863 4.696 -5.957 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -8.890 3.332 -5.357 1.00 0.00 H new ATOM 382 N VAL A 38 -8.694 5.271 -1.130 1.00 0.00 N ATOM 383 CA VAL A 38 -8.798 5.776 0.238 1.00 0.00 C ATOM 384 C VAL A 38 -7.838 6.946 0.430 1.00 0.00 C ATOM 385 O VAL A 38 -8.227 8.002 0.936 1.00 0.00 O ATOM 386 CB VAL A 38 -8.489 4.673 1.277 1.00 0.00 C ATOM 387 CG1 VAL A 38 -8.502 5.239 2.690 1.00 0.00 C ATOM 388 CG2 VAL A 38 -9.483 3.526 1.157 1.00 0.00 C ATOM 0 H VAL A 38 -8.459 4.281 -1.196 1.00 0.00 H new ATOM 0 HA VAL A 38 -9.824 6.109 0.395 1.00 0.00 H new ATOM 0 HB VAL A 38 -7.490 4.288 1.071 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -8.282 4.444 3.402 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -7.748 6.022 2.775 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -9.485 5.657 2.905 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -9.247 2.761 1.897 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -10.492 3.900 1.330 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -9.422 3.095 0.158 1.00 0.00 H new ATOM 398 N GLN A 39 -6.589 6.763 -0.009 1.00 0.00 N ATOM 399 CA GLN A 39 -5.581 7.817 0.084 1.00 0.00 C ATOM 400 C GLN A 39 -6.092 9.086 -0.592 1.00 0.00 C ATOM 401 O GLN A 39 -6.052 10.165 -0.006 1.00 0.00 O ATOM 402 CB GLN A 39 -4.266 7.363 -0.564 1.00 0.00 C ATOM 403 CG GLN A 39 -3.137 8.380 -0.435 1.00 0.00 C ATOM 404 CD GLN A 39 -2.813 9.071 -1.746 1.00 0.00 C ATOM 405 OE1 GLN A 39 -2.047 8.556 -2.558 1.00 0.00 O ATOM 406 NE2 GLN A 39 -3.387 10.246 -1.961 1.00 0.00 N ATOM 0 H GLN A 39 -6.255 5.896 -0.431 1.00 0.00 H new ATOM 0 HA GLN A 39 -5.391 8.027 1.137 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -3.952 6.424 -0.108 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -4.442 7.161 -1.620 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -3.413 9.130 0.307 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -2.243 7.878 -0.064 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -4.017 10.641 -1.263 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -3.199 10.755 -2.824 1.00 0.00 H new ATOM 415 N MET A 40 -6.593 8.941 -1.824 1.00 0.00 N ATOM 416 CA MET A 40 -7.138 10.071 -2.576 1.00 0.00 C ATOM 417 C MET A 40 -8.214 10.786 -1.761 1.00 0.00 C ATOM 418 O MET A 40 -8.159 12.006 -1.575 1.00 0.00 O ATOM 419 CB MET A 40 -7.723 9.593 -3.909 1.00 0.00 C ATOM 420 CG MET A 40 -6.675 9.159 -4.921 1.00 0.00 C ATOM 421 SD MET A 40 -7.393 8.309 -6.341 1.00 0.00 S ATOM 422 CE MET A 40 -8.491 9.573 -6.979 1.00 0.00 C ATOM 0 H MET A 40 -6.631 8.050 -2.320 1.00 0.00 H new ATOM 0 HA MET A 40 -6.327 10.771 -2.778 1.00 0.00 H new ATOM 0 HB2 MET A 40 -8.399 8.759 -3.720 1.00 0.00 H new ATOM 0 HB3 MET A 40 -8.321 10.396 -4.341 1.00 0.00 H new ATOM 0 HG2 MET A 40 -6.124 10.034 -5.266 1.00 0.00 H new ATOM 0 HG3 MET A 40 -5.955 8.501 -4.434 1.00 0.00 H new ATOM 0 HE1 MET A 40 -8.830 9.291 -7.976 1.00 0.00 H new ATOM 0 HE2 MET A 40 -9.352 9.674 -6.318 1.00 0.00 H new ATOM 0 HE3 MET A 40 -7.960 10.524 -7.031 1.00 0.00 H new ATOM 432 N ALA A 41 -9.185 10.015 -1.264 1.00 0.00 N ATOM 433 CA ALA A 41 -10.266 10.570 -0.451 1.00 0.00 C ATOM 434 C ALA A 41 -9.701 11.305 0.764 1.00 0.00 C ATOM 435 O ALA A 41 -10.083 12.443 1.045 1.00 0.00 O ATOM 436 CB ALA A 41 -11.221 9.466 -0.019 1.00 0.00 C ATOM 0 H ALA A 41 -9.243 9.007 -1.411 1.00 0.00 H new ATOM 0 HA ALA A 41 -10.821 11.289 -1.053 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -12.021 9.893 0.586 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -11.648 8.989 -0.901 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -10.679 8.725 0.568 1.00 0.00 H new ATOM 442 N VAL A 42 -8.773 10.652 1.470 1.00 0.00 N ATOM 443 CA VAL A 42 -8.138 11.247 2.646 1.00 0.00 C ATOM 444 C VAL A 42 -7.447 12.563 2.283 1.00 0.00 C ATOM 445 O VAL A 42 -7.663 13.584 2.932 1.00 0.00 O ATOM 446 CB VAL A 42 -7.110 10.287 3.284 1.00 0.00 C ATOM 447 CG1 VAL A 42 -6.411 10.947 4.464 1.00 0.00 C ATOM 448 CG2 VAL A 42 -7.780 8.992 3.719 1.00 0.00 C ATOM 0 H VAL A 42 -8.446 9.712 1.246 1.00 0.00 H new ATOM 0 HA VAL A 42 -8.928 11.441 3.372 1.00 0.00 H new ATOM 0 HB VAL A 42 -6.359 10.050 2.531 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -5.692 10.251 4.897 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -5.890 11.842 4.124 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -7.149 11.221 5.218 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -7.038 8.330 4.166 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -8.557 9.212 4.451 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -8.226 8.504 2.852 1.00 0.00 H new ATOM 458 N THR A 43 -6.622 12.529 1.236 1.00 0.00 N ATOM 459 CA THR A 43 -5.905 13.721 0.777 1.00 0.00 C ATOM 460 C THR A 43 -6.881 14.826 0.363 1.00 0.00 C ATOM 461 O THR A 43 -6.672 15.997 0.672 1.00 0.00 O ATOM 462 CB THR A 43 -4.983 13.373 -0.400 1.00 0.00 C ATOM 463 OG1 THR A 43 -4.252 12.187 -0.139 1.00 0.00 O ATOM 464 CG2 THR A 43 -3.978 14.458 -0.721 1.00 0.00 C ATOM 0 H THR A 43 -6.433 11.689 0.689 1.00 0.00 H new ATOM 0 HA THR A 43 -5.301 14.087 1.607 1.00 0.00 H new ATOM 0 HB THR A 43 -5.651 13.250 -1.252 1.00 0.00 H new ATOM 0 HG1 THR A 43 -3.301 12.343 -0.318 1.00 0.00 H new ATOM 0 HG21 THR A 43 -3.360 14.144 -1.562 1.00 0.00 H new ATOM 0 HG22 THR A 43 -4.505 15.377 -0.980 1.00 0.00 H new ATOM 0 HG23 THR A 43 -3.344 14.636 0.148 1.00 0.00 H new ATOM 472 N MET A 44 -7.945 14.443 -0.345 1.00 0.00 N ATOM 473 CA MET A 44 -8.952 15.399 -0.811 1.00 0.00 C ATOM 474 C MET A 44 -9.755 16.008 0.347 1.00 0.00 C ATOM 475 O MET A 44 -10.011 17.213 0.360 1.00 0.00 O ATOM 476 CB MET A 44 -9.900 14.716 -1.800 1.00 0.00 C ATOM 477 CG MET A 44 -10.748 15.686 -2.608 1.00 0.00 C ATOM 478 SD MET A 44 -11.821 14.848 -3.791 1.00 0.00 S ATOM 479 CE MET A 44 -10.634 14.370 -5.045 1.00 0.00 C ATOM 0 H MET A 44 -8.132 13.476 -0.609 1.00 0.00 H new ATOM 0 HA MET A 44 -8.424 16.214 -1.306 1.00 0.00 H new ATOM 0 HB2 MET A 44 -9.315 14.102 -2.485 1.00 0.00 H new ATOM 0 HB3 MET A 44 -10.558 14.042 -1.252 1.00 0.00 H new ATOM 0 HG2 MET A 44 -11.357 16.283 -1.929 1.00 0.00 H new ATOM 0 HG3 MET A 44 -10.095 16.377 -3.141 1.00 0.00 H new ATOM 0 HE1 MET A 44 -11.110 14.394 -6.025 1.00 0.00 H new ATOM 0 HE2 MET A 44 -9.793 15.063 -5.033 1.00 0.00 H new ATOM 0 HE3 MET A 44 -10.276 13.361 -4.841 1.00 0.00 H new ATOM 489 N VAL A 45 -10.167 15.173 1.300 1.00 0.00 N ATOM 490 CA VAL A 45 -10.964 15.633 2.443 1.00 0.00 C ATOM 491 C VAL A 45 -10.115 16.329 3.517 1.00 0.00 C ATOM 492 O VAL A 45 -10.505 17.374 4.042 1.00 0.00 O ATOM 493 CB VAL A 45 -11.736 14.459 3.090 1.00 0.00 C ATOM 494 CG1 VAL A 45 -12.461 14.910 4.348 1.00 0.00 C ATOM 495 CG2 VAL A 45 -12.719 13.855 2.099 1.00 0.00 C ATOM 0 H VAL A 45 -9.963 14.174 1.306 1.00 0.00 H new ATOM 0 HA VAL A 45 -11.668 16.363 2.044 1.00 0.00 H new ATOM 0 HB VAL A 45 -11.012 13.695 3.371 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -12.995 14.065 4.783 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -11.737 15.291 5.068 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -13.171 15.698 4.096 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -13.253 13.031 2.572 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -13.433 14.616 1.785 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -12.177 13.484 1.229 1.00 0.00 H new ATOM 505 N LEU A 46 -8.970 15.738 3.854 1.00 0.00 N ATOM 506 CA LEU A 46 -8.082 16.292 4.881 1.00 0.00 C ATOM 507 C LEU A 46 -7.413 17.596 4.422 1.00 0.00 C ATOM 508 O LEU A 46 -6.226 17.616 4.092 1.00 0.00 O ATOM 509 CB LEU A 46 -7.018 15.257 5.267 1.00 0.00 C ATOM 510 CG LEU A 46 -6.426 15.421 6.669 1.00 0.00 C ATOM 511 CD1 LEU A 46 -6.530 14.120 7.449 1.00 0.00 C ATOM 512 CD2 LEU A 46 -4.977 15.871 6.583 1.00 0.00 C ATOM 0 H LEU A 46 -8.633 14.873 3.431 1.00 0.00 H new ATOM 0 HA LEU A 46 -8.692 16.529 5.752 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -7.457 14.262 5.190 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -6.207 15.305 4.540 1.00 0.00 H new ATOM 0 HG LEU A 46 -6.997 16.185 7.196 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -6.104 14.257 8.443 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -7.578 13.833 7.540 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -5.983 13.337 6.924 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -4.571 15.983 7.588 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -4.397 15.127 6.038 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -4.923 16.827 6.061 1.00 0.00 H new ATOM 524 N HIS A 47 -8.181 18.686 4.416 1.00 0.00 N ATOM 525 CA HIS A 47 -7.657 19.992 4.010 1.00 0.00 C ATOM 526 C HIS A 47 -7.912 21.055 5.083 1.00 0.00 C ATOM 527 O HIS A 47 -8.850 20.940 5.874 1.00 0.00 O ATOM 528 CB HIS A 47 -8.276 20.429 2.679 1.00 0.00 C ATOM 529 CG HIS A 47 -7.257 20.879 1.680 1.00 0.00 C ATOM 530 ND1 HIS A 47 -6.988 22.204 1.423 1.00 0.00 N ATOM 531 CD2 HIS A 47 -6.420 20.167 0.894 1.00 0.00 C ATOM 532 CE1 HIS A 47 -6.027 22.288 0.519 1.00 0.00 C ATOM 533 NE2 HIS A 47 -5.661 21.063 0.180 1.00 0.00 N ATOM 0 H HIS A 47 -9.164 18.692 4.686 1.00 0.00 H new ATOM 0 HA HIS A 47 -6.579 19.890 3.884 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -8.846 19.600 2.260 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -8.981 21.240 2.861 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -6.359 19.090 0.837 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -5.611 23.203 0.124 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -4.937 20.824 -0.498 1.00 0.00 H new ATOM 542 N GLY A 48 -7.069 22.088 5.102 1.00 0.00 N ATOM 543 CA GLY A 48 -7.217 23.160 6.081 1.00 0.00 C ATOM 544 C GLY A 48 -6.485 24.430 5.687 1.00 0.00 C ATOM 545 O GLY A 48 -7.111 25.459 5.430 1.00 0.00 O ATOM 0 H GLY A 48 -6.286 22.203 4.458 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -8.276 23.383 6.210 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -6.844 22.817 7.046 1.00 0.00 H new ATOM 549 N GLN A 49 -5.154 24.360 5.639 1.00 0.00 N ATOM 550 CA GLN A 49 -4.332 25.515 5.273 1.00 0.00 C ATOM 551 C GLN A 49 -3.378 25.169 4.128 1.00 0.00 C ATOM 552 O GLN A 49 -3.571 25.610 2.996 1.00 0.00 O ATOM 553 CB GLN A 49 -3.547 26.013 6.491 1.00 0.00 C ATOM 554 CG GLN A 49 -3.927 27.420 6.927 1.00 0.00 C ATOM 555 CD GLN A 49 -2.841 28.093 7.743 1.00 0.00 C ATOM 556 OE1 GLN A 49 -2.844 28.036 8.968 1.00 0.00 O ATOM 557 NE2 GLN A 49 -1.902 28.736 7.066 1.00 0.00 N ATOM 0 H GLN A 49 -4.622 23.516 5.849 1.00 0.00 H new ATOM 0 HA GLN A 49 -4.994 26.310 4.931 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -3.710 25.328 7.323 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -2.482 25.988 6.261 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -4.140 28.024 6.045 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -4.844 27.379 7.514 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -1.934 28.761 6.047 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -1.146 29.207 7.564 1.00 0.00 H new ATOM 566 N VAL A 50 -2.351 24.373 4.430 1.00 0.00 N ATOM 567 CA VAL A 50 -1.367 23.961 3.428 1.00 0.00 C ATOM 568 C VAL A 50 -0.988 22.492 3.611 1.00 0.00 C ATOM 569 O VAL A 50 -0.612 22.070 4.707 1.00 0.00 O ATOM 570 CB VAL A 50 -0.085 24.826 3.484 1.00 0.00 C ATOM 571 CG1 VAL A 50 -0.311 26.166 2.802 1.00 0.00 C ATOM 572 CG2 VAL A 50 0.376 25.027 4.922 1.00 0.00 C ATOM 0 H VAL A 50 -2.179 24.000 5.364 1.00 0.00 H new ATOM 0 HA VAL A 50 -1.835 24.101 2.454 1.00 0.00 H new ATOM 0 HB VAL A 50 0.702 24.296 2.948 1.00 0.00 H new ATOM 0 HG11 VAL A 50 0.602 26.759 2.853 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -0.580 26.002 1.758 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -1.118 26.699 3.305 1.00 0.00 H new ATOM 0 HG21 VAL A 50 1.278 25.638 4.933 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -0.408 25.528 5.489 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.588 24.058 5.375 1.00 0.00 H new ATOM 582 N GLU A 51 -1.095 21.716 2.535 1.00 0.00 N ATOM 583 CA GLU A 51 -0.769 20.292 2.575 1.00 0.00 C ATOM 584 C GLU A 51 -0.093 19.846 1.277 1.00 0.00 C ATOM 585 O GLU A 51 0.017 20.622 0.326 1.00 0.00 O ATOM 586 CB GLU A 51 -2.034 19.461 2.836 1.00 0.00 C ATOM 587 CG GLU A 51 -3.223 19.846 1.961 1.00 0.00 C ATOM 588 CD GLU A 51 -3.094 19.356 0.531 1.00 0.00 C ATOM 589 OE1 GLU A 51 -2.749 18.172 0.331 1.00 0.00 O ATOM 590 OE2 GLU A 51 -3.356 20.160 -0.392 1.00 0.00 O ATOM 0 H GLU A 51 -1.406 22.050 1.623 1.00 0.00 H new ATOM 0 HA GLU A 51 -0.068 20.128 3.393 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -1.804 18.408 2.675 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -2.317 19.569 3.883 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -4.135 19.438 2.398 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -3.328 20.931 1.959 1.00 0.00 H new ATOM 597 N SER A 52 0.368 18.592 1.250 1.00 0.00 N ATOM 598 CA SER A 52 1.045 18.042 0.071 1.00 0.00 C ATOM 599 C SER A 52 2.301 18.859 -0.272 1.00 0.00 C ATOM 600 O SER A 52 2.853 19.553 0.585 1.00 0.00 O ATOM 601 CB SER A 52 0.082 18.011 -1.125 1.00 0.00 C ATOM 602 OG SER A 52 0.696 17.413 -2.262 1.00 0.00 O ATOM 0 H SER A 52 0.285 17.939 2.029 1.00 0.00 H new ATOM 0 HA SER A 52 1.357 17.023 0.299 1.00 0.00 H new ATOM 0 HB2 SER A 52 -0.816 17.454 -0.858 1.00 0.00 H new ATOM 0 HB3 SER A 52 -0.232 19.026 -1.369 1.00 0.00 H new ATOM 0 HG SER A 52 0.062 17.404 -3.009 1.00 0.00 H new ATOM 608 N ILE A 53 2.745 18.773 -1.525 1.00 0.00 N ATOM 609 CA ILE A 53 3.925 19.510 -1.976 1.00 0.00 C ATOM 610 C ILE A 53 3.749 19.994 -3.415 1.00 0.00 C ATOM 611 O ILE A 53 3.510 19.197 -4.326 1.00 0.00 O ATOM 612 CB ILE A 53 5.215 18.668 -1.878 1.00 0.00 C ATOM 613 CG1 ILE A 53 5.283 17.928 -0.537 1.00 0.00 C ATOM 614 CG2 ILE A 53 6.436 19.562 -2.046 1.00 0.00 C ATOM 615 CD1 ILE A 53 6.415 16.926 -0.452 1.00 0.00 C ATOM 0 H ILE A 53 2.306 18.201 -2.246 1.00 0.00 H new ATOM 0 HA ILE A 53 4.026 20.367 -1.310 1.00 0.00 H new ATOM 0 HB ILE A 53 5.203 17.927 -2.677 1.00 0.00 H new ATOM 0 HG12 ILE A 53 5.394 18.657 0.265 1.00 0.00 H new ATOM 0 HG13 ILE A 53 4.338 17.411 -0.369 1.00 0.00 H new ATOM 0 HG21 ILE A 53 7.341 18.959 -1.975 1.00 0.00 H new ATOM 0 HG22 ILE A 53 6.399 20.049 -3.021 1.00 0.00 H new ATOM 0 HG23 ILE A 53 6.443 20.320 -1.262 1.00 0.00 H new ATOM 0 HD11 ILE A 53 6.400 16.442 0.524 1.00 0.00 H new ATOM 0 HD12 ILE A 53 6.295 16.174 -1.232 1.00 0.00 H new ATOM 0 HD13 ILE A 53 7.367 17.440 -0.587 1.00 0.00 H new ATOM 627 N ASP A 54 3.860 21.309 -3.606 1.00 0.00 N ATOM 628 CA ASP A 54 3.706 21.919 -4.926 1.00 0.00 C ATOM 629 C ASP A 54 4.771 21.420 -5.912 1.00 0.00 C ATOM 630 O ASP A 54 5.871 21.021 -5.515 1.00 0.00 O ATOM 631 CB ASP A 54 3.774 23.448 -4.807 1.00 0.00 C ATOM 632 CG ASP A 54 2.921 24.156 -5.840 1.00 0.00 C ATOM 633 OD1 ASP A 54 3.152 23.943 -7.048 1.00 0.00 O ATOM 634 OD2 ASP A 54 2.023 24.923 -5.439 1.00 0.00 O ATOM 0 H ASP A 54 4.057 21.975 -2.859 1.00 0.00 H new ATOM 0 HA ASP A 54 2.731 21.626 -5.316 1.00 0.00 H new ATOM 0 HB2 ASP A 54 3.450 23.745 -3.810 1.00 0.00 H new ATOM 0 HB3 ASP A 54 4.810 23.771 -4.915 1.00 0.00 H new ATOM 639 N VAL A 55 4.431 21.467 -7.203 1.00 0.00 N ATOM 640 CA VAL A 55 5.337 21.049 -8.281 1.00 0.00 C ATOM 641 C VAL A 55 5.625 19.540 -8.268 1.00 0.00 C ATOM 642 O VAL A 55 5.262 18.827 -9.208 1.00 0.00 O ATOM 643 CB VAL A 55 6.672 21.827 -8.228 1.00 0.00 C ATOM 644 CG1 VAL A 55 7.620 21.355 -9.323 1.00 0.00 C ATOM 645 CG2 VAL A 55 6.425 23.325 -8.350 1.00 0.00 C ATOM 0 H VAL A 55 3.523 21.795 -7.532 1.00 0.00 H new ATOM 0 HA VAL A 55 4.817 21.282 -9.210 1.00 0.00 H new ATOM 0 HB VAL A 55 7.139 21.630 -7.263 1.00 0.00 H new ATOM 0 HG11 VAL A 55 8.552 21.917 -9.265 1.00 0.00 H new ATOM 0 HG12 VAL A 55 7.828 20.293 -9.191 1.00 0.00 H new ATOM 0 HG13 VAL A 55 7.159 21.516 -10.298 1.00 0.00 H new ATOM 0 HG21 VAL A 55 7.377 23.855 -8.311 1.00 0.00 H new ATOM 0 HG22 VAL A 55 5.931 23.536 -9.298 1.00 0.00 H new ATOM 0 HG23 VAL A 55 5.790 23.657 -7.528 1.00 0.00 H new ATOM 655 N ILE A 56 6.292 19.057 -7.219 1.00 0.00 N ATOM 656 CA ILE A 56 6.645 17.635 -7.118 1.00 0.00 C ATOM 657 C ILE A 56 5.431 16.745 -6.804 1.00 0.00 C ATOM 658 O ILE A 56 5.385 16.073 -5.770 1.00 0.00 O ATOM 659 CB ILE A 56 7.754 17.391 -6.066 1.00 0.00 C ATOM 660 CG1 ILE A 56 7.373 17.994 -4.712 1.00 0.00 C ATOM 661 CG2 ILE A 56 9.078 17.966 -6.546 1.00 0.00 C ATOM 662 CD1 ILE A 56 8.113 17.368 -3.549 1.00 0.00 C ATOM 0 H ILE A 56 6.599 19.624 -6.429 1.00 0.00 H new ATOM 0 HA ILE A 56 7.023 17.355 -8.101 1.00 0.00 H new ATOM 0 HB ILE A 56 7.864 16.314 -5.938 1.00 0.00 H new ATOM 0 HG12 ILE A 56 7.576 19.065 -4.729 1.00 0.00 H new ATOM 0 HG13 ILE A 56 6.301 17.875 -4.558 1.00 0.00 H new ATOM 0 HG21 ILE A 56 9.847 17.786 -5.795 1.00 0.00 H new ATOM 0 HG22 ILE A 56 9.365 17.486 -7.481 1.00 0.00 H new ATOM 0 HG23 ILE A 56 8.972 19.039 -6.706 1.00 0.00 H new ATOM 0 HD11 ILE A 56 7.796 17.841 -2.619 1.00 0.00 H new ATOM 0 HD12 ILE A 56 7.891 16.302 -3.508 1.00 0.00 H new ATOM 0 HD13 ILE A 56 9.186 17.510 -3.681 1.00 0.00 H new ATOM 674 N ARG A 57 4.461 16.725 -7.719 1.00 0.00 N ATOM 675 CA ARG A 57 3.257 15.902 -7.553 1.00 0.00 C ATOM 676 C ARG A 57 3.599 14.408 -7.615 1.00 0.00 C ATOM 677 O ARG A 57 3.173 13.627 -6.761 1.00 0.00 O ATOM 678 CB ARG A 57 2.225 16.257 -8.634 1.00 0.00 C ATOM 679 CG ARG A 57 0.932 15.459 -8.536 1.00 0.00 C ATOM 680 CD ARG A 57 0.005 15.757 -9.705 1.00 0.00 C ATOM 681 NE ARG A 57 0.096 14.732 -10.749 1.00 0.00 N ATOM 682 CZ ARG A 57 -0.466 13.531 -10.675 1.00 0.00 C ATOM 683 NH1 ARG A 57 -1.175 13.186 -9.617 1.00 0.00 N ATOM 684 NH2 ARG A 57 -0.313 12.675 -11.665 1.00 0.00 N ATOM 0 H ARG A 57 4.483 17.268 -8.582 1.00 0.00 H new ATOM 0 HA ARG A 57 2.832 16.111 -6.571 1.00 0.00 H new ATOM 0 HB2 ARG A 57 1.991 17.319 -8.565 1.00 0.00 H new ATOM 0 HB3 ARG A 57 2.669 16.092 -9.615 1.00 0.00 H new ATOM 0 HG2 ARG A 57 1.161 14.394 -8.514 1.00 0.00 H new ATOM 0 HG3 ARG A 57 0.427 15.696 -7.600 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -1.022 15.820 -9.347 1.00 0.00 H new ATOM 0 HD3 ARG A 57 0.255 16.730 -10.128 1.00 0.00 H new ATOM 0 HE ARG A 57 0.627 14.957 -11.590 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -1.295 13.844 -8.847 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -1.603 12.261 -9.569 1.00 0.00 H new ATOM 0 HH21 ARG A 57 0.236 12.936 -12.484 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -0.743 11.752 -11.612 1.00 0.00 H new ATOM 698 N SER A 58 4.380 14.023 -8.625 1.00 0.00 N ATOM 699 CA SER A 58 4.793 12.630 -8.800 1.00 0.00 C ATOM 700 C SER A 58 5.752 12.209 -7.690 1.00 0.00 C ATOM 701 O SER A 58 5.484 11.257 -6.955 1.00 0.00 O ATOM 702 CB SER A 58 5.464 12.444 -10.164 1.00 0.00 C ATOM 703 OG SER A 58 6.463 13.431 -10.374 1.00 0.00 O ATOM 0 H SER A 58 4.740 14.659 -9.337 1.00 0.00 H new ATOM 0 HA SER A 58 3.904 12.001 -8.750 1.00 0.00 H new ATOM 0 HB2 SER A 58 5.910 11.451 -10.223 1.00 0.00 H new ATOM 0 HB3 SER A 58 4.715 12.504 -10.954 1.00 0.00 H new ATOM 0 HG SER A 58 6.880 13.293 -11.250 1.00 0.00 H new ATOM 709 N ILE A 59 6.867 12.936 -7.572 1.00 0.00 N ATOM 710 CA ILE A 59 7.879 12.661 -6.547 1.00 0.00 C ATOM 711 C ILE A 59 7.234 12.458 -5.174 1.00 0.00 C ATOM 712 O ILE A 59 7.662 11.595 -4.403 1.00 0.00 O ATOM 713 CB ILE A 59 8.924 13.798 -6.461 1.00 0.00 C ATOM 714 CG1 ILE A 59 9.597 14.016 -7.821 1.00 0.00 C ATOM 715 CG2 ILE A 59 9.971 13.483 -5.402 1.00 0.00 C ATOM 716 CD1 ILE A 59 9.016 15.169 -8.610 1.00 0.00 C ATOM 0 H ILE A 59 7.093 13.725 -8.178 1.00 0.00 H new ATOM 0 HA ILE A 59 8.386 11.742 -6.842 1.00 0.00 H new ATOM 0 HB ILE A 59 8.407 14.715 -6.178 1.00 0.00 H new ATOM 0 HG12 ILE A 59 10.661 14.194 -7.665 1.00 0.00 H new ATOM 0 HG13 ILE A 59 9.509 13.103 -8.410 1.00 0.00 H new ATOM 0 HG21 ILE A 59 10.698 14.294 -5.356 1.00 0.00 H new ATOM 0 HG22 ILE A 59 9.486 13.375 -4.432 1.00 0.00 H new ATOM 0 HG23 ILE A 59 10.480 12.554 -5.659 1.00 0.00 H new ATOM 0 HD11 ILE A 59 9.542 15.262 -9.560 1.00 0.00 H new ATOM 0 HD12 ILE A 59 7.958 14.985 -8.798 1.00 0.00 H new ATOM 0 HD13 ILE A 59 9.128 16.092 -8.041 1.00 0.00 H new ATOM 728 N PHE A 60 6.190 13.244 -4.882 1.00 0.00 N ATOM 729 CA PHE A 60 5.466 13.138 -3.611 1.00 0.00 C ATOM 730 C PHE A 60 5.169 11.672 -3.271 1.00 0.00 C ATOM 731 O PHE A 60 5.249 11.269 -2.109 1.00 0.00 O ATOM 732 CB PHE A 60 4.159 13.939 -3.679 1.00 0.00 C ATOM 733 CG PHE A 60 3.411 13.995 -2.376 1.00 0.00 C ATOM 734 CD1 PHE A 60 2.525 12.989 -2.025 1.00 0.00 C ATOM 735 CD2 PHE A 60 3.597 15.053 -1.500 1.00 0.00 C ATOM 736 CE1 PHE A 60 1.838 13.037 -0.827 1.00 0.00 C ATOM 737 CE2 PHE A 60 2.911 15.107 -0.301 1.00 0.00 C ATOM 738 CZ PHE A 60 2.031 14.097 0.036 1.00 0.00 C ATOM 0 H PHE A 60 5.828 13.961 -5.511 1.00 0.00 H new ATOM 0 HA PHE A 60 6.096 13.551 -2.823 1.00 0.00 H new ATOM 0 HB2 PHE A 60 4.384 14.956 -4.002 1.00 0.00 H new ATOM 0 HB3 PHE A 60 3.513 13.499 -4.439 1.00 0.00 H new ATOM 0 HD1 PHE A 60 2.369 12.157 -2.696 1.00 0.00 H new ATOM 0 HD2 PHE A 60 4.286 15.844 -1.757 1.00 0.00 H new ATOM 0 HE1 PHE A 60 1.151 12.246 -0.566 1.00 0.00 H new ATOM 0 HE2 PHE A 60 3.063 15.938 0.372 1.00 0.00 H new ATOM 0 HZ PHE A 60 1.495 14.137 0.973 1.00 0.00 H new ATOM 748 N PHE A 61 4.843 10.877 -4.300 1.00 0.00 N ATOM 749 CA PHE A 61 4.551 9.452 -4.122 1.00 0.00 C ATOM 750 C PHE A 61 5.596 8.779 -3.228 1.00 0.00 C ATOM 751 O PHE A 61 5.256 7.936 -2.399 1.00 0.00 O ATOM 752 CB PHE A 61 4.491 8.746 -5.481 1.00 0.00 C ATOM 753 CG PHE A 61 3.481 7.635 -5.536 1.00 0.00 C ATOM 754 CD1 PHE A 61 3.717 6.433 -4.889 1.00 0.00 C ATOM 755 CD2 PHE A 61 2.297 7.793 -6.237 1.00 0.00 C ATOM 756 CE1 PHE A 61 2.790 5.409 -4.939 1.00 0.00 C ATOM 757 CE2 PHE A 61 1.365 6.772 -6.291 1.00 0.00 C ATOM 758 CZ PHE A 61 1.612 5.579 -5.641 1.00 0.00 C ATOM 0 H PHE A 61 4.775 11.200 -5.265 1.00 0.00 H new ATOM 0 HA PHE A 61 3.580 9.369 -3.633 1.00 0.00 H new ATOM 0 HB2 PHE A 61 4.255 9.479 -6.252 1.00 0.00 H new ATOM 0 HB3 PHE A 61 5.476 8.343 -5.716 1.00 0.00 H new ATOM 0 HD1 PHE A 61 4.636 6.294 -4.339 1.00 0.00 H new ATOM 0 HD2 PHE A 61 2.099 8.724 -6.747 1.00 0.00 H new ATOM 0 HE1 PHE A 61 2.986 4.477 -4.430 1.00 0.00 H new ATOM 0 HE2 PHE A 61 0.445 6.908 -6.841 1.00 0.00 H new ATOM 0 HZ PHE A 61 0.886 4.780 -5.681 1.00 0.00 H new ATOM 768 N GLY A 62 6.864 9.175 -3.391 1.00 0.00 N ATOM 769 CA GLY A 62 7.942 8.620 -2.582 1.00 0.00 C ATOM 770 C GLY A 62 7.589 8.571 -1.106 1.00 0.00 C ATOM 771 O GLY A 62 7.837 7.569 -0.440 1.00 0.00 O ATOM 0 H GLY A 62 7.162 9.873 -4.072 1.00 0.00 H new ATOM 0 HA2 GLY A 62 8.174 7.614 -2.931 1.00 0.00 H new ATOM 0 HA3 GLY A 62 8.842 9.220 -2.718 1.00 0.00 H new ATOM 775 N LEU A 63 6.977 9.642 -0.601 1.00 0.00 N ATOM 776 CA LEU A 63 6.560 9.697 0.801 1.00 0.00 C ATOM 777 C LEU A 63 5.627 8.526 1.114 1.00 0.00 C ATOM 778 O LEU A 63 5.759 7.867 2.152 1.00 0.00 O ATOM 779 CB LEU A 63 5.852 11.025 1.096 1.00 0.00 C ATOM 780 CG LEU A 63 6.504 11.883 2.180 1.00 0.00 C ATOM 781 CD1 LEU A 63 5.888 13.271 2.195 1.00 0.00 C ATOM 782 CD2 LEU A 63 6.360 11.222 3.542 1.00 0.00 C ATOM 0 H LEU A 63 6.759 10.481 -1.139 1.00 0.00 H new ATOM 0 HA LEU A 63 7.446 9.626 1.432 1.00 0.00 H new ATOM 0 HB2 LEU A 63 5.805 11.606 0.175 1.00 0.00 H new ATOM 0 HB3 LEU A 63 4.825 10.813 1.392 1.00 0.00 H new ATOM 0 HG LEU A 63 7.566 11.977 1.955 1.00 0.00 H new ATOM 0 HD11 LEU A 63 6.362 13.871 2.972 1.00 0.00 H new ATOM 0 HD12 LEU A 63 6.039 13.747 1.226 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.820 13.193 2.398 1.00 0.00 H new ATOM 0 HD21 LEU A 63 6.830 11.847 4.301 1.00 0.00 H new ATOM 0 HD22 LEU A 63 5.303 11.099 3.777 1.00 0.00 H new ATOM 0 HD23 LEU A 63 6.844 10.245 3.525 1.00 0.00 H new ATOM 794 N LEU A 64 4.705 8.257 0.187 1.00 0.00 N ATOM 795 CA LEU A 64 3.757 7.156 0.324 1.00 0.00 C ATOM 796 C LEU A 64 4.487 5.826 0.505 1.00 0.00 C ATOM 797 O LEU A 64 3.951 4.900 1.115 1.00 0.00 O ATOM 798 CB LEU A 64 2.846 7.086 -0.907 1.00 0.00 C ATOM 799 CG LEU A 64 1.349 7.201 -0.620 1.00 0.00 C ATOM 800 CD1 LEU A 64 0.971 8.642 -0.319 1.00 0.00 C ATOM 801 CD2 LEU A 64 0.546 6.677 -1.798 1.00 0.00 C ATOM 0 H LEU A 64 4.597 8.794 -0.673 1.00 0.00 H new ATOM 0 HA LEU A 64 3.150 7.340 1.210 1.00 0.00 H new ATOM 0 HB2 LEU A 64 3.130 7.883 -1.594 1.00 0.00 H new ATOM 0 HB3 LEU A 64 3.029 6.142 -1.421 1.00 0.00 H new ATOM 0 HG LEU A 64 1.118 6.596 0.257 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -0.098 8.703 -0.117 1.00 0.00 H new ATOM 0 HD12 LEU A 64 1.525 8.989 0.553 1.00 0.00 H new ATOM 0 HD13 LEU A 64 1.215 9.269 -1.177 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.518 6.765 -1.581 1.00 0.00 H new ATOM 0 HD22 LEU A 64 0.784 7.259 -2.688 1.00 0.00 H new ATOM 0 HD23 LEU A 64 0.796 5.630 -1.972 1.00 0.00 H new ATOM 813 N ILE A 65 5.716 5.739 -0.018 1.00 0.00 N ATOM 814 CA ILE A 65 6.517 4.524 0.097 1.00 0.00 C ATOM 815 C ILE A 65 6.659 4.088 1.556 1.00 0.00 C ATOM 816 O ILE A 65 6.741 2.896 1.837 1.00 0.00 O ATOM 817 CB ILE A 65 7.921 4.699 -0.528 1.00 0.00 C ATOM 818 CG1 ILE A 65 7.804 4.955 -2.033 1.00 0.00 C ATOM 819 CG2 ILE A 65 8.786 3.473 -0.268 1.00 0.00 C ATOM 820 CD1 ILE A 65 9.120 5.312 -2.690 1.00 0.00 C ATOM 0 H ILE A 65 6.173 6.497 -0.524 1.00 0.00 H new ATOM 0 HA ILE A 65 5.987 3.749 -0.456 1.00 0.00 H new ATOM 0 HB ILE A 65 8.398 5.560 -0.060 1.00 0.00 H new ATOM 0 HG12 ILE A 65 7.397 4.066 -2.514 1.00 0.00 H new ATOM 0 HG13 ILE A 65 7.092 5.763 -2.202 1.00 0.00 H new ATOM 0 HG21 ILE A 65 9.769 3.619 -0.717 1.00 0.00 H new ATOM 0 HG22 ILE A 65 8.896 3.327 0.807 1.00 0.00 H new ATOM 0 HG23 ILE A 65 8.313 2.594 -0.707 1.00 0.00 H new ATOM 0 HD11 ILE A 65 8.961 5.480 -3.755 1.00 0.00 H new ATOM 0 HD12 ILE A 65 9.519 6.219 -2.236 1.00 0.00 H new ATOM 0 HD13 ILE A 65 9.829 4.495 -2.553 1.00 0.00 H new ATOM 832 N THR A 66 6.674 5.048 2.489 1.00 0.00 N ATOM 833 CA THR A 66 6.793 4.714 3.911 1.00 0.00 C ATOM 834 C THR A 66 5.584 3.891 4.374 1.00 0.00 C ATOM 835 O THR A 66 5.715 2.695 4.664 1.00 0.00 O ATOM 836 CB THR A 66 6.956 5.984 4.760 1.00 0.00 C ATOM 837 OG1 THR A 66 8.237 6.554 4.562 1.00 0.00 O ATOM 838 CG2 THR A 66 6.794 5.747 6.247 1.00 0.00 C ATOM 0 H THR A 66 6.606 6.046 2.289 1.00 0.00 H new ATOM 0 HA THR A 66 7.688 4.107 4.047 1.00 0.00 H new ATOM 0 HB THR A 66 6.161 6.651 4.427 1.00 0.00 H new ATOM 0 HG1 THR A 66 8.323 7.363 5.109 1.00 0.00 H new ATOM 0 HG21 THR A 66 6.922 6.688 6.782 1.00 0.00 H new ATOM 0 HG22 THR A 66 5.799 5.350 6.446 1.00 0.00 H new ATOM 0 HG23 THR A 66 7.544 5.032 6.585 1.00 0.00 H new ATOM 846 N PRO A 67 4.374 4.499 4.423 1.00 0.00 N ATOM 847 CA PRO A 67 3.158 3.781 4.827 1.00 0.00 C ATOM 848 C PRO A 67 2.869 2.603 3.895 1.00 0.00 C ATOM 849 O PRO A 67 2.470 1.528 4.346 1.00 0.00 O ATOM 850 CB PRO A 67 2.053 4.842 4.731 1.00 0.00 C ATOM 851 CG PRO A 67 2.604 5.893 3.830 1.00 0.00 C ATOM 852 CD PRO A 67 4.087 5.900 4.063 1.00 0.00 C ATOM 0 HA PRO A 67 3.243 3.349 5.824 1.00 0.00 H new ATOM 0 HB2 PRO A 67 1.133 4.419 4.327 1.00 0.00 H new ATOM 0 HB3 PRO A 67 1.812 5.250 5.712 1.00 0.00 H new ATOM 0 HG2 PRO A 67 2.374 5.673 2.787 1.00 0.00 H new ATOM 0 HG3 PRO A 67 2.169 6.867 4.054 1.00 0.00 H new ATOM 0 HD2 PRO A 67 4.634 6.208 3.172 1.00 0.00 H new ATOM 0 HD3 PRO A 67 4.367 6.587 4.862 1.00 0.00 H new ATOM 860 N TRP A 68 3.101 2.812 2.594 1.00 0.00 N ATOM 861 CA TRP A 68 2.891 1.767 1.597 1.00 0.00 C ATOM 862 C TRP A 68 3.789 0.570 1.887 1.00 0.00 C ATOM 863 O TRP A 68 3.326 -0.565 1.891 1.00 0.00 O ATOM 864 CB TRP A 68 3.159 2.300 0.186 1.00 0.00 C ATOM 865 CG TRP A 68 2.737 1.351 -0.894 1.00 0.00 C ATOM 866 CD1 TRP A 68 1.460 1.080 -1.294 1.00 0.00 C ATOM 867 CD2 TRP A 68 3.594 0.544 -1.710 1.00 0.00 C ATOM 868 NE1 TRP A 68 1.471 0.153 -2.309 1.00 0.00 N ATOM 869 CE2 TRP A 68 2.769 -0.191 -2.582 1.00 0.00 C ATOM 870 CE3 TRP A 68 4.980 0.370 -1.788 1.00 0.00 C ATOM 871 CZ2 TRP A 68 3.282 -1.082 -3.518 1.00 0.00 C ATOM 872 CZ3 TRP A 68 5.487 -0.516 -2.719 1.00 0.00 C ATOM 873 CH2 TRP A 68 4.640 -1.232 -3.574 1.00 0.00 C ATOM 0 H TRP A 68 3.434 3.697 2.211 1.00 0.00 H new ATOM 0 HA TRP A 68 1.850 1.448 1.652 1.00 0.00 H new ATOM 0 HB2 TRP A 68 2.633 3.246 0.056 1.00 0.00 H new ATOM 0 HB3 TRP A 68 4.223 2.510 0.080 1.00 0.00 H new ATOM 0 HD1 TRP A 68 0.571 1.528 -0.874 1.00 0.00 H new ATOM 0 HE1 TRP A 68 0.647 -0.218 -2.782 1.00 0.00 H new ATOM 0 HE3 TRP A 68 5.641 0.918 -1.133 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 2.631 -1.636 -4.178 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 6.555 -0.659 -2.789 1.00 0.00 H new ATOM 0 HH2 TRP A 68 5.068 -1.916 -4.292 1.00 0.00 H new ATOM 884 N ALA A 69 5.072 0.832 2.153 1.00 0.00 N ATOM 885 CA ALA A 69 6.020 -0.234 2.471 1.00 0.00 C ATOM 886 C ALA A 69 5.555 -1.002 3.702 1.00 0.00 C ATOM 887 O ALA A 69 5.548 -2.231 3.708 1.00 0.00 O ATOM 888 CB ALA A 69 7.415 0.336 2.691 1.00 0.00 C ATOM 0 H ALA A 69 5.474 1.769 2.154 1.00 0.00 H new ATOM 0 HA ALA A 69 6.063 -0.923 1.627 1.00 0.00 H new ATOM 0 HB1 ALA A 69 8.106 -0.474 2.927 1.00 0.00 H new ATOM 0 HB2 ALA A 69 7.747 0.845 1.786 1.00 0.00 H new ATOM 0 HB3 ALA A 69 7.392 1.045 3.518 1.00 0.00 H new ATOM 894 N VAL A 70 5.143 -0.266 4.738 1.00 0.00 N ATOM 895 CA VAL A 70 4.651 -0.884 5.970 1.00 0.00 C ATOM 896 C VAL A 70 3.411 -1.741 5.688 1.00 0.00 C ATOM 897 O VAL A 70 3.368 -2.920 6.047 1.00 0.00 O ATOM 898 CB VAL A 70 4.312 0.178 7.041 1.00 0.00 C ATOM 899 CG1 VAL A 70 3.713 -0.473 8.280 1.00 0.00 C ATOM 900 CG2 VAL A 70 5.550 0.980 7.412 1.00 0.00 C ATOM 0 H VAL A 70 5.141 0.754 4.747 1.00 0.00 H new ATOM 0 HA VAL A 70 5.449 -1.519 6.354 1.00 0.00 H new ATOM 0 HB VAL A 70 3.572 0.858 6.619 1.00 0.00 H new ATOM 0 HG11 VAL A 70 3.483 0.294 9.019 1.00 0.00 H new ATOM 0 HG12 VAL A 70 2.799 -1.000 8.008 1.00 0.00 H new ATOM 0 HG13 VAL A 70 4.428 -1.180 8.701 1.00 0.00 H new ATOM 0 HG21 VAL A 70 5.290 1.722 8.167 1.00 0.00 H new ATOM 0 HG22 VAL A 70 6.312 0.310 7.809 1.00 0.00 H new ATOM 0 HG23 VAL A 70 5.936 1.484 6.526 1.00 0.00 H new ATOM 910 N TYR A 71 2.413 -1.142 5.032 1.00 0.00 N ATOM 911 CA TYR A 71 1.177 -1.851 4.684 1.00 0.00 C ATOM 912 C TYR A 71 1.479 -3.077 3.818 1.00 0.00 C ATOM 913 O TYR A 71 1.065 -4.193 4.136 1.00 0.00 O ATOM 914 CB TYR A 71 0.213 -0.912 3.950 1.00 0.00 C ATOM 915 CG TYR A 71 -1.075 -0.654 4.696 1.00 0.00 C ATOM 916 CD1 TYR A 71 -2.141 -1.542 4.610 1.00 0.00 C ATOM 917 CD2 TYR A 71 -1.229 0.479 5.486 1.00 0.00 C ATOM 918 CE1 TYR A 71 -3.321 -1.307 5.289 1.00 0.00 C ATOM 919 CE2 TYR A 71 -2.408 0.719 6.167 1.00 0.00 C ATOM 920 CZ TYR A 71 -3.449 -0.176 6.066 1.00 0.00 C ATOM 921 OH TYR A 71 -4.622 0.061 6.740 1.00 0.00 O ATOM 0 H TYR A 71 2.436 -0.168 4.731 1.00 0.00 H new ATOM 0 HA TYR A 71 0.707 -2.189 5.608 1.00 0.00 H new ATOM 0 HB2 TYR A 71 0.714 0.039 3.770 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -0.022 -1.338 2.975 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -2.045 -2.430 4.003 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -0.415 1.183 5.569 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -4.140 -2.007 5.211 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -2.512 1.605 6.776 1.00 0.00 H new ATOM 0 HH TYR A 71 -4.547 0.899 7.242 1.00 0.00 H new ATOM 931 N PHE A 72 2.221 -2.857 2.731 1.00 0.00 N ATOM 932 CA PHE A 72 2.606 -3.936 1.823 1.00 0.00 C ATOM 933 C PHE A 72 3.345 -5.029 2.588 1.00 0.00 C ATOM 934 O PHE A 72 2.950 -6.192 2.549 1.00 0.00 O ATOM 935 CB PHE A 72 3.491 -3.399 0.690 1.00 0.00 C ATOM 936 CG PHE A 72 2.976 -3.716 -0.685 1.00 0.00 C ATOM 937 CD1 PHE A 72 1.764 -3.207 -1.121 1.00 0.00 C ATOM 938 CD2 PHE A 72 3.711 -4.517 -1.546 1.00 0.00 C ATOM 939 CE1 PHE A 72 1.293 -3.490 -2.389 1.00 0.00 C ATOM 940 CE2 PHE A 72 3.246 -4.803 -2.814 1.00 0.00 C ATOM 941 CZ PHE A 72 2.034 -4.290 -3.236 1.00 0.00 C ATOM 0 H PHE A 72 2.568 -1.937 2.459 1.00 0.00 H new ATOM 0 HA PHE A 72 1.700 -4.357 1.387 1.00 0.00 H new ATOM 0 HB2 PHE A 72 3.581 -2.318 0.794 1.00 0.00 H new ATOM 0 HB3 PHE A 72 4.493 -3.814 0.797 1.00 0.00 H new ATOM 0 HD1 PHE A 72 1.180 -2.581 -0.462 1.00 0.00 H new ATOM 0 HD2 PHE A 72 4.658 -4.922 -1.221 1.00 0.00 H new ATOM 0 HE1 PHE A 72 0.347 -3.086 -2.717 1.00 0.00 H new ATOM 0 HE2 PHE A 72 3.829 -5.427 -3.476 1.00 0.00 H new ATOM 0 HZ PHE A 72 1.667 -4.515 -4.227 1.00 0.00 H new ATOM 951 N LEU A 73 4.408 -4.640 3.297 1.00 0.00 N ATOM 952 CA LEU A 73 5.201 -5.576 4.092 1.00 0.00 C ATOM 953 C LEU A 73 4.289 -6.420 4.979 1.00 0.00 C ATOM 954 O LEU A 73 4.352 -7.651 4.958 1.00 0.00 O ATOM 955 CB LEU A 73 6.216 -4.809 4.949 1.00 0.00 C ATOM 956 CG LEU A 73 7.161 -5.672 5.788 1.00 0.00 C ATOM 957 CD1 LEU A 73 8.467 -4.939 6.038 1.00 0.00 C ATOM 958 CD2 LEU A 73 6.508 -6.053 7.107 1.00 0.00 C ATOM 0 H LEU A 73 4.739 -3.676 3.335 1.00 0.00 H new ATOM 0 HA LEU A 73 5.742 -6.240 3.418 1.00 0.00 H new ATOM 0 HB2 LEU A 73 6.816 -4.179 4.292 1.00 0.00 H new ATOM 0 HB3 LEU A 73 5.670 -4.144 5.618 1.00 0.00 H new ATOM 0 HG LEU A 73 7.375 -6.585 5.233 1.00 0.00 H new ATOM 0 HD11 LEU A 73 9.128 -5.567 6.636 1.00 0.00 H new ATOM 0 HD12 LEU A 73 8.946 -4.713 5.085 1.00 0.00 H new ATOM 0 HD13 LEU A 73 8.267 -4.010 6.573 1.00 0.00 H new ATOM 0 HD21 LEU A 73 7.195 -6.666 7.689 1.00 0.00 H new ATOM 0 HD22 LEU A 73 6.264 -5.150 7.667 1.00 0.00 H new ATOM 0 HD23 LEU A 73 5.595 -6.616 6.912 1.00 0.00 H new ATOM 970 N SER A 74 3.427 -5.747 5.742 1.00 0.00 N ATOM 971 CA SER A 74 2.483 -6.428 6.624 1.00 0.00 C ATOM 972 C SER A 74 1.602 -7.393 5.830 1.00 0.00 C ATOM 973 O SER A 74 1.577 -8.594 6.109 1.00 0.00 O ATOM 974 CB SER A 74 1.613 -5.409 7.365 1.00 0.00 C ATOM 975 OG SER A 74 1.256 -5.886 8.648 1.00 0.00 O ATOM 0 H SER A 74 3.364 -4.729 5.766 1.00 0.00 H new ATOM 0 HA SER A 74 3.053 -7.001 7.356 1.00 0.00 H new ATOM 0 HB2 SER A 74 2.152 -4.466 7.460 1.00 0.00 H new ATOM 0 HB3 SER A 74 0.713 -5.204 6.786 1.00 0.00 H new ATOM 0 HG SER A 74 1.031 -6.838 8.592 1.00 0.00 H new ATOM 981 N VAL A 75 0.896 -6.862 4.827 1.00 0.00 N ATOM 982 CA VAL A 75 0.023 -7.676 3.977 1.00 0.00 C ATOM 983 C VAL A 75 0.769 -8.885 3.406 1.00 0.00 C ATOM 984 O VAL A 75 0.231 -9.991 3.369 1.00 0.00 O ATOM 985 CB VAL A 75 -0.578 -6.844 2.822 1.00 0.00 C ATOM 986 CG1 VAL A 75 -1.268 -7.741 1.804 1.00 0.00 C ATOM 987 CG2 VAL A 75 -1.552 -5.811 3.364 1.00 0.00 C ATOM 0 H VAL A 75 0.912 -5.871 4.584 1.00 0.00 H new ATOM 0 HA VAL A 75 -0.790 -8.032 4.610 1.00 0.00 H new ATOM 0 HB VAL A 75 0.238 -6.326 2.318 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -1.682 -7.130 1.002 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -0.545 -8.443 1.389 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -2.072 -8.293 2.291 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -1.967 -5.233 2.538 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -2.359 -6.315 3.895 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -1.030 -5.142 4.048 1.00 0.00 H new ATOM 997 N VAL A 76 2.015 -8.675 2.978 1.00 0.00 N ATOM 998 CA VAL A 76 2.829 -9.763 2.433 1.00 0.00 C ATOM 999 C VAL A 76 3.050 -10.833 3.501 1.00 0.00 C ATOM 1000 O VAL A 76 2.856 -12.024 3.251 1.00 0.00 O ATOM 1001 CB VAL A 76 4.198 -9.256 1.918 1.00 0.00 C ATOM 1002 CG1 VAL A 76 5.032 -10.409 1.380 1.00 0.00 C ATOM 1003 CG2 VAL A 76 4.014 -8.196 0.840 1.00 0.00 C ATOM 0 H VAL A 76 2.480 -7.768 2.998 1.00 0.00 H new ATOM 0 HA VAL A 76 2.287 -10.187 1.587 1.00 0.00 H new ATOM 0 HB VAL A 76 4.725 -8.806 2.759 1.00 0.00 H new ATOM 0 HG11 VAL A 76 5.990 -10.030 1.023 1.00 0.00 H new ATOM 0 HG12 VAL A 76 5.202 -11.136 2.174 1.00 0.00 H new ATOM 0 HG13 VAL A 76 4.502 -10.888 0.557 1.00 0.00 H new ATOM 0 HG21 VAL A 76 4.990 -7.855 0.494 1.00 0.00 H new ATOM 0 HG22 VAL A 76 3.460 -8.621 0.003 1.00 0.00 H new ATOM 0 HG23 VAL A 76 3.460 -7.352 1.251 1.00 0.00 H new ATOM 1013 N VAL A 77 3.433 -10.396 4.704 1.00 0.00 N ATOM 1014 CA VAL A 77 3.653 -11.312 5.823 1.00 0.00 C ATOM 1015 C VAL A 77 2.365 -12.069 6.160 1.00 0.00 C ATOM 1016 O VAL A 77 2.394 -13.264 6.458 1.00 0.00 O ATOM 1017 CB VAL A 77 4.156 -10.559 7.077 1.00 0.00 C ATOM 1018 CG1 VAL A 77 4.150 -11.466 8.299 1.00 0.00 C ATOM 1019 CG2 VAL A 77 5.549 -9.999 6.838 1.00 0.00 C ATOM 0 H VAL A 77 3.597 -9.414 4.926 1.00 0.00 H new ATOM 0 HA VAL A 77 4.420 -12.024 5.517 1.00 0.00 H new ATOM 0 HB VAL A 77 3.475 -9.730 7.268 1.00 0.00 H new ATOM 0 HG11 VAL A 77 4.508 -10.911 9.166 1.00 0.00 H new ATOM 0 HG12 VAL A 77 3.135 -11.817 8.487 1.00 0.00 H new ATOM 0 HG13 VAL A 77 4.802 -12.321 8.121 1.00 0.00 H new ATOM 0 HG21 VAL A 77 5.887 -9.472 7.730 1.00 0.00 H new ATOM 0 HG22 VAL A 77 6.236 -10.815 6.616 1.00 0.00 H new ATOM 0 HG23 VAL A 77 5.523 -9.307 5.996 1.00 0.00 H new ATOM 1029 N GLU A 78 1.232 -11.366 6.098 1.00 0.00 N ATOM 1030 CA GLU A 78 -0.071 -11.970 6.384 1.00 0.00 C ATOM 1031 C GLU A 78 -0.526 -12.869 5.227 1.00 0.00 C ATOM 1032 O GLU A 78 -1.011 -13.982 5.447 1.00 0.00 O ATOM 1033 CB GLU A 78 -1.118 -10.880 6.640 1.00 0.00 C ATOM 1034 CG GLU A 78 -0.814 -10.000 7.849 1.00 0.00 C ATOM 1035 CD GLU A 78 -1.037 -8.521 7.584 1.00 0.00 C ATOM 1036 OE1 GLU A 78 -1.891 -8.183 6.736 1.00 0.00 O ATOM 1037 OE2 GLU A 78 -0.357 -7.698 8.230 1.00 0.00 O ATOM 0 H GLU A 78 1.191 -10.377 5.852 1.00 0.00 H new ATOM 0 HA GLU A 78 0.032 -12.584 7.278 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -1.195 -10.249 5.754 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -2.091 -11.351 6.782 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -1.442 -10.312 8.684 1.00 0.00 H new ATOM 0 HG3 GLU A 78 0.221 -10.156 8.153 1.00 0.00 H new ATOM 1044 N GLN A 79 -0.371 -12.376 3.996 1.00 0.00 N ATOM 1045 CA GLN A 79 -0.766 -13.124 2.802 1.00 0.00 C ATOM 1046 C GLN A 79 0.182 -14.303 2.538 1.00 0.00 C ATOM 1047 O GLN A 79 1.092 -14.204 1.711 1.00 0.00 O ATOM 1048 CB GLN A 79 -0.804 -12.191 1.581 1.00 0.00 C ATOM 1049 CG GLN A 79 -1.604 -12.758 0.412 1.00 0.00 C ATOM 1050 CD GLN A 79 -0.790 -12.895 -0.863 1.00 0.00 C ATOM 1051 OE1 GLN A 79 -1.231 -12.485 -1.933 1.00 0.00 O ATOM 1052 NE2 GLN A 79 0.397 -13.472 -0.758 1.00 0.00 N ATOM 0 H GLN A 79 0.027 -11.458 3.801 1.00 0.00 H new ATOM 0 HA GLN A 79 -1.763 -13.529 2.976 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -1.235 -11.234 1.877 1.00 0.00 H new ATOM 0 HB3 GLN A 79 0.216 -11.993 1.252 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -1.998 -13.736 0.690 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -2.461 -12.112 0.220 1.00 0.00 H new ATOM 0 HE21 GLN A 79 0.727 -13.799 0.150 1.00 0.00 H new ATOM 0 HE22 GLN A 79 0.982 -13.589 -1.585 1.00 0.00 H new ATOM 1061 N LEU A 80 -0.047 -15.412 3.245 1.00 0.00 N ATOM 1062 CA LEU A 80 0.772 -16.629 3.107 1.00 0.00 C ATOM 1063 C LEU A 80 1.237 -16.859 1.662 1.00 0.00 C ATOM 1064 O LEU A 80 0.428 -17.155 0.778 1.00 0.00 O ATOM 1065 CB LEU A 80 -0.019 -17.851 3.590 1.00 0.00 C ATOM 1066 CG LEU A 80 0.235 -18.265 5.040 1.00 0.00 C ATOM 1067 CD1 LEU A 80 -0.850 -17.717 5.950 1.00 0.00 C ATOM 1068 CD2 LEU A 80 0.305 -19.781 5.153 1.00 0.00 C ATOM 0 H LEU A 80 -0.800 -15.497 3.927 1.00 0.00 H new ATOM 0 HA LEU A 80 1.661 -16.490 3.723 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -1.083 -17.645 3.470 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.217 -18.695 2.942 1.00 0.00 H new ATOM 0 HG LEU A 80 1.191 -17.847 5.355 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.652 -18.022 6.977 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.860 -16.629 5.890 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.819 -18.106 5.636 1.00 0.00 H new ATOM 0 HD21 LEU A 80 0.486 -20.061 6.191 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -0.638 -20.215 4.820 1.00 0.00 H new ATOM 0 HD23 LEU A 80 1.117 -20.155 4.529 1.00 0.00 H new ATOM 1080 N GLU A 81 2.547 -16.727 1.435 1.00 0.00 N ATOM 1081 CA GLU A 81 3.125 -16.923 0.103 1.00 0.00 C ATOM 1082 C GLU A 81 4.643 -17.134 0.176 1.00 0.00 C ATOM 1083 O GLU A 81 5.137 -18.227 -0.108 1.00 0.00 O ATOM 1084 CB GLU A 81 2.799 -15.726 -0.798 1.00 0.00 C ATOM 1085 CG GLU A 81 3.035 -15.990 -2.280 1.00 0.00 C ATOM 1086 CD GLU A 81 3.463 -14.748 -3.038 1.00 0.00 C ATOM 1087 OE1 GLU A 81 2.602 -13.876 -3.285 1.00 0.00 O ATOM 1088 OE2 GLU A 81 4.656 -14.655 -3.392 1.00 0.00 O ATOM 0 H GLU A 81 3.227 -16.485 2.156 1.00 0.00 H new ATOM 0 HA GLU A 81 2.682 -17.823 -0.324 1.00 0.00 H new ATOM 0 HB2 GLU A 81 1.756 -15.445 -0.650 1.00 0.00 H new ATOM 0 HB3 GLU A 81 3.405 -14.875 -0.489 1.00 0.00 H new ATOM 0 HG2 GLU A 81 3.800 -16.759 -2.390 1.00 0.00 H new ATOM 0 HG3 GLU A 81 2.121 -16.384 -2.724 1.00 0.00 H new ATOM 1095 N GLU A 82 5.377 -16.078 0.550 1.00 0.00 N ATOM 1096 CA GLU A 82 6.840 -16.137 0.654 1.00 0.00 C ATOM 1097 C GLU A 82 7.467 -16.670 -0.644 1.00 0.00 C ATOM 1098 O GLU A 82 8.405 -17.471 -0.616 1.00 0.00 O ATOM 1099 CB GLU A 82 7.257 -17.001 1.853 1.00 0.00 C ATOM 1100 CG GLU A 82 7.121 -16.291 3.197 1.00 0.00 C ATOM 1101 CD GLU A 82 8.409 -15.633 3.658 1.00 0.00 C ATOM 1102 OE1 GLU A 82 8.931 -14.767 2.923 1.00 0.00 O ATOM 1103 OE2 GLU A 82 8.894 -15.973 4.757 1.00 0.00 O ATOM 0 H GLU A 82 4.979 -15.169 0.786 1.00 0.00 H new ATOM 0 HA GLU A 82 7.210 -15.124 0.811 1.00 0.00 H new ATOM 0 HB2 GLU A 82 6.649 -17.906 1.867 1.00 0.00 H new ATOM 0 HB3 GLU A 82 8.292 -17.315 1.721 1.00 0.00 H new ATOM 0 HG2 GLU A 82 6.340 -15.534 3.124 1.00 0.00 H new ATOM 0 HG3 GLU A 82 6.798 -17.010 3.950 1.00 0.00 H new ATOM 1110 N SER A 83 6.935 -16.218 -1.783 1.00 0.00 N ATOM 1111 CA SER A 83 7.428 -16.643 -3.093 1.00 0.00 C ATOM 1112 C SER A 83 7.770 -15.437 -3.980 1.00 0.00 C ATOM 1113 O SER A 83 8.031 -14.342 -3.481 1.00 0.00 O ATOM 1114 CB SER A 83 6.381 -17.529 -3.780 1.00 0.00 C ATOM 1115 OG SER A 83 6.866 -18.034 -5.019 1.00 0.00 O ATOM 0 H SER A 83 6.160 -15.556 -1.822 1.00 0.00 H new ATOM 0 HA SER A 83 8.343 -17.215 -2.944 1.00 0.00 H new ATOM 0 HB2 SER A 83 6.117 -18.359 -3.125 1.00 0.00 H new ATOM 0 HB3 SER A 83 5.470 -16.955 -3.950 1.00 0.00 H new ATOM 0 HG SER A 83 6.209 -17.856 -5.724 1.00 0.00 H new ATOM 1121 N ARG A 84 7.765 -15.650 -5.296 1.00 0.00 N ATOM 1122 CA ARG A 84 8.071 -14.593 -6.257 1.00 0.00 C ATOM 1123 C ARG A 84 6.834 -14.236 -7.093 1.00 0.00 C ATOM 1124 O ARG A 84 6.864 -14.286 -8.326 1.00 0.00 O ATOM 1125 CB ARG A 84 9.227 -15.037 -7.163 1.00 0.00 C ATOM 1126 CG ARG A 84 10.336 -14.003 -7.296 1.00 0.00 C ATOM 1127 CD ARG A 84 11.685 -14.663 -7.535 1.00 0.00 C ATOM 1128 NE ARG A 84 12.666 -14.292 -6.509 1.00 0.00 N ATOM 1129 CZ ARG A 84 13.919 -14.734 -6.473 1.00 0.00 C ATOM 1130 NH1 ARG A 84 14.364 -15.568 -7.395 1.00 0.00 N ATOM 1131 NH2 ARG A 84 14.725 -14.338 -5.507 1.00 0.00 N ATOM 0 H ARG A 84 7.551 -16.552 -5.722 1.00 0.00 H new ATOM 0 HA ARG A 84 8.371 -13.699 -5.710 1.00 0.00 H new ATOM 0 HB2 ARG A 84 9.650 -15.961 -6.770 1.00 0.00 H new ATOM 0 HB3 ARG A 84 8.833 -15.263 -8.154 1.00 0.00 H new ATOM 0 HG2 ARG A 84 10.109 -13.328 -8.121 1.00 0.00 H new ATOM 0 HG3 ARG A 84 10.381 -13.397 -6.391 1.00 0.00 H new ATOM 0 HD2 ARG A 84 11.562 -15.746 -7.545 1.00 0.00 H new ATOM 0 HD3 ARG A 84 12.061 -14.376 -8.517 1.00 0.00 H new ATOM 0 HE ARG A 84 12.366 -13.652 -5.774 1.00 0.00 H new ATOM 0 HH11 ARG A 84 13.745 -15.879 -8.143 1.00 0.00 H new ATOM 0 HH12 ARG A 84 15.327 -15.902 -7.359 1.00 0.00 H new ATOM 0 HH21 ARG A 84 14.386 -13.695 -4.791 1.00 0.00 H new ATOM 0 HH22 ARG A 84 15.687 -14.675 -5.476 1.00 0.00 H new ATOM 1145 N GLN A 85 5.746 -13.879 -6.410 1.00 0.00 N ATOM 1146 CA GLN A 85 4.495 -13.517 -7.079 1.00 0.00 C ATOM 1147 C GLN A 85 4.240 -12.005 -7.005 1.00 0.00 C ATOM 1148 O GLN A 85 5.093 -11.242 -6.533 1.00 0.00 O ATOM 1149 CB GLN A 85 3.328 -14.289 -6.451 1.00 0.00 C ATOM 1150 CG GLN A 85 2.624 -15.229 -7.422 1.00 0.00 C ATOM 1151 CD GLN A 85 1.443 -14.582 -8.121 1.00 0.00 C ATOM 1152 OE1 GLN A 85 1.466 -13.390 -8.433 1.00 0.00 O ATOM 1153 NE2 GLN A 85 0.402 -15.362 -8.368 1.00 0.00 N ATOM 0 H GLN A 85 5.705 -13.833 -5.392 1.00 0.00 H new ATOM 0 HA GLN A 85 4.579 -13.787 -8.132 1.00 0.00 H new ATOM 0 HB2 GLN A 85 3.699 -14.867 -5.604 1.00 0.00 H new ATOM 0 HB3 GLN A 85 2.603 -13.577 -6.057 1.00 0.00 H new ATOM 0 HG2 GLN A 85 3.339 -15.572 -8.170 1.00 0.00 H new ATOM 0 HG3 GLN A 85 2.281 -16.111 -6.881 1.00 0.00 H new ATOM 0 HE21 GLN A 85 0.424 -16.344 -8.093 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -0.422 -14.981 -8.833 1.00 0.00 H new ATOM 1162 N ARG A 86 3.064 -11.573 -7.474 1.00 0.00 N ATOM 1163 CA ARG A 86 2.697 -10.151 -7.466 1.00 0.00 C ATOM 1164 C ARG A 86 2.426 -9.644 -6.037 1.00 0.00 C ATOM 1165 O ARG A 86 1.360 -9.098 -5.744 1.00 0.00 O ATOM 1166 CB ARG A 86 1.472 -9.919 -8.365 1.00 0.00 C ATOM 1167 CG ARG A 86 1.782 -9.111 -9.621 1.00 0.00 C ATOM 1168 CD ARG A 86 1.162 -7.720 -9.575 1.00 0.00 C ATOM 1169 NE ARG A 86 1.600 -6.961 -8.396 1.00 0.00 N ATOM 1170 CZ ARG A 86 0.900 -6.840 -7.273 1.00 0.00 C ATOM 1171 NH1 ARG A 86 -0.298 -7.383 -7.156 1.00 0.00 N ATOM 1172 NH2 ARG A 86 1.403 -6.167 -6.259 1.00 0.00 N ATOM 0 H ARG A 86 2.349 -12.187 -7.864 1.00 0.00 H new ATOM 0 HA ARG A 86 3.540 -9.582 -7.859 1.00 0.00 H new ATOM 0 HB2 ARG A 86 1.058 -10.884 -8.657 1.00 0.00 H new ATOM 0 HB3 ARG A 86 0.703 -9.402 -7.791 1.00 0.00 H new ATOM 0 HG2 ARG A 86 2.862 -9.022 -9.737 1.00 0.00 H new ATOM 0 HG3 ARG A 86 1.410 -9.644 -10.496 1.00 0.00 H new ATOM 0 HD2 ARG A 86 1.431 -7.173 -10.479 1.00 0.00 H new ATOM 0 HD3 ARG A 86 0.076 -7.807 -9.567 1.00 0.00 H new ATOM 0 HE ARG A 86 2.506 -6.494 -8.443 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -0.700 -7.905 -7.935 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -0.822 -7.280 -6.287 1.00 0.00 H new ATOM 0 HH21 ARG A 86 2.326 -5.741 -6.337 1.00 0.00 H new ATOM 0 HH22 ARG A 86 0.869 -6.072 -5.395 1.00 0.00 H new ATOM 1186 N LEU A 87 3.418 -9.830 -5.162 1.00 0.00 N ATOM 1187 CA LEU A 87 3.345 -9.406 -3.757 1.00 0.00 C ATOM 1188 C LEU A 87 4.560 -9.938 -2.982 1.00 0.00 C ATOM 1189 O LEU A 87 4.432 -10.463 -1.875 1.00 0.00 O ATOM 1190 CB LEU A 87 2.047 -9.897 -3.096 1.00 0.00 C ATOM 1191 CG LEU A 87 1.686 -9.200 -1.781 1.00 0.00 C ATOM 1192 CD1 LEU A 87 1.196 -7.784 -2.035 1.00 0.00 C ATOM 1193 CD2 LEU A 87 0.634 -9.997 -1.026 1.00 0.00 C ATOM 0 H LEU A 87 4.299 -10.281 -5.407 1.00 0.00 H new ATOM 0 HA LEU A 87 3.349 -8.316 -3.732 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.225 -9.761 -3.799 1.00 0.00 H new ATOM 0 HB3 LEU A 87 2.134 -10.968 -2.910 1.00 0.00 H new ATOM 0 HG LEU A 87 2.586 -9.145 -1.169 1.00 0.00 H new ATOM 0 HD11 LEU A 87 0.946 -7.310 -1.086 1.00 0.00 H new ATOM 0 HD12 LEU A 87 1.979 -7.211 -2.531 1.00 0.00 H new ATOM 0 HD13 LEU A 87 0.311 -7.814 -2.670 1.00 0.00 H new ATOM 0 HD21 LEU A 87 0.390 -9.487 -0.094 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -0.264 -10.085 -1.637 1.00 0.00 H new ATOM 0 HD23 LEU A 87 1.021 -10.992 -0.804 1.00 0.00 H new ATOM 1205 N SER A 88 5.743 -9.803 -3.584 1.00 0.00 N ATOM 1206 CA SER A 88 6.988 -10.278 -2.974 1.00 0.00 C ATOM 1207 C SER A 88 7.486 -9.328 -1.880 1.00 0.00 C ATOM 1208 O SER A 88 6.937 -8.241 -1.685 1.00 0.00 O ATOM 1209 CB SER A 88 8.066 -10.452 -4.050 1.00 0.00 C ATOM 1210 OG SER A 88 7.665 -11.390 -5.042 1.00 0.00 O ATOM 0 H SER A 88 5.866 -9.367 -4.498 1.00 0.00 H new ATOM 0 HA SER A 88 6.781 -11.240 -2.506 1.00 0.00 H new ATOM 0 HB2 SER A 88 8.272 -9.490 -4.519 1.00 0.00 H new ATOM 0 HB3 SER A 88 8.994 -10.786 -3.586 1.00 0.00 H new ATOM 0 HG SER A 88 6.807 -11.113 -5.426 1.00 0.00 H new ATOM 1216 N ARG A 89 8.534 -9.754 -1.170 1.00 0.00 N ATOM 1217 CA ARG A 89 9.125 -8.957 -0.092 1.00 0.00 C ATOM 1218 C ARG A 89 9.799 -7.698 -0.636 1.00 0.00 C ATOM 1219 O ARG A 89 10.633 -7.816 -1.564 1.00 0.00 O ATOM 1220 CB ARG A 89 10.143 -9.797 0.691 1.00 0.00 C ATOM 1221 CG ARG A 89 10.665 -9.117 1.952 1.00 0.00 C ATOM 1222 CD ARG A 89 9.914 -9.571 3.196 1.00 0.00 C ATOM 1223 NE ARG A 89 10.614 -10.656 3.899 1.00 0.00 N ATOM 1224 CZ ARG A 89 10.319 -11.947 3.776 1.00 0.00 C ATOM 1225 NH1 ARG A 89 9.379 -12.344 2.947 1.00 0.00 N ATOM 1226 NH2 ARG A 89 10.977 -12.848 4.478 1.00 0.00 N ATOM 0 H ARG A 89 8.993 -10.652 -1.324 1.00 0.00 H new ATOM 0 HA ARG A 89 8.320 -8.650 0.576 1.00 0.00 H new ATOM 0 HB2 ARG A 89 9.682 -10.746 0.966 1.00 0.00 H new ATOM 0 HB3 ARG A 89 10.986 -10.029 0.040 1.00 0.00 H new ATOM 0 HG2 ARG A 89 11.726 -9.336 2.069 1.00 0.00 H new ATOM 0 HG3 ARG A 89 10.572 -8.036 1.846 1.00 0.00 H new ATOM 0 HD2 ARG A 89 9.787 -8.725 3.871 1.00 0.00 H new ATOM 0 HD3 ARG A 89 8.916 -9.907 2.914 1.00 0.00 H new ATOM 0 HE ARG A 89 11.379 -10.401 4.524 1.00 0.00 H new ATOM 0 HH11 ARG A 89 8.868 -11.659 2.390 1.00 0.00 H new ATOM 0 HH12 ARG A 89 9.161 -13.337 2.861 1.00 0.00 H new ATOM 0 HH21 ARG A 89 11.715 -12.556 5.118 1.00 0.00 H new ATOM 0 HH22 ARG A 89 10.748 -13.837 4.381 1.00 0.00 H new TER 1240 ARG A 89