USER MOD reduce.3.24.130724 H: found=0, std=0, add=645, rem=0, adj=10 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= -0.087 USER MOD Single : A 25 MET CE :methyl -161:sc= -5.04 (180deg=-7.19!) USER MOD Single : A 39 GLN : amide:sc= -1.73 X(o=-1.7,f=-1.7!) USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 66:sc= 1.1 USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 SER OG : rot 64:sc= -0.464 USER MOD Single : A 58 SER OG : rot 180:sc= 0.00455 USER MOD Single : A 66 THR OG1 : rot 96:sc= 1.17 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 104:sc= 1.15 USER MOD Single : A 79 GLN : amide:sc= -1.34 K(o=-1.3,f=-2.6) USER MOD Single : A 83 SER OG : rot 180:sc= -0.0515 USER MOD Single : A 85 GLN : amide:sc= 1.22 K(o=1.2,f=-0.16) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 15 9.746 -6.939 -12.518 1.00 0.00 N ATOM 2 CA MET A 15 8.882 -8.057 -12.997 1.00 0.00 C ATOM 3 C MET A 15 9.232 -9.367 -12.287 1.00 0.00 C ATOM 4 O MET A 15 10.406 -9.639 -12.031 1.00 0.00 O ATOM 5 CB MET A 15 9.070 -8.205 -14.513 1.00 0.00 C ATOM 6 CG MET A 15 7.787 -8.549 -15.258 1.00 0.00 C ATOM 7 SD MET A 15 7.425 -10.314 -15.236 1.00 0.00 S ATOM 8 CE MET A 15 7.951 -10.785 -16.883 1.00 0.00 C ATOM 0 HA MET A 15 7.840 -7.830 -12.770 1.00 0.00 H new ATOM 0 HB2 MET A 15 9.474 -7.275 -14.913 1.00 0.00 H new ATOM 0 HB3 MET A 15 9.810 -8.982 -14.704 1.00 0.00 H new ATOM 0 HG2 MET A 15 6.955 -8.006 -14.811 1.00 0.00 H new ATOM 0 HG3 MET A 15 7.870 -8.212 -16.291 1.00 0.00 H new ATOM 0 HE1 MET A 15 7.790 -11.854 -17.025 1.00 0.00 H new ATOM 0 HE2 MET A 15 7.373 -10.230 -17.622 1.00 0.00 H new ATOM 0 HE3 MET A 15 9.010 -10.558 -17.006 1.00 0.00 H new ATOM 18 N MET A 16 8.208 -10.167 -11.970 1.00 0.00 N ATOM 19 CA MET A 16 8.400 -11.449 -11.281 1.00 0.00 C ATOM 20 C MET A 16 8.784 -11.239 -9.811 1.00 0.00 C ATOM 21 O MET A 16 9.131 -10.130 -9.404 1.00 0.00 O ATOM 22 CB MET A 16 9.473 -12.284 -11.996 1.00 0.00 C ATOM 23 CG MET A 16 9.218 -13.783 -11.953 1.00 0.00 C ATOM 24 SD MET A 16 10.616 -14.706 -11.286 1.00 0.00 S ATOM 25 CE MET A 16 11.651 -14.855 -12.742 1.00 0.00 C ATOM 0 H MET A 16 7.234 -9.949 -12.180 1.00 0.00 H new ATOM 0 HA MET A 16 7.453 -11.989 -11.308 1.00 0.00 H new ATOM 0 HB2 MET A 16 9.534 -11.965 -13.037 1.00 0.00 H new ATOM 0 HB3 MET A 16 10.442 -12.077 -11.542 1.00 0.00 H new ATOM 0 HG2 MET A 16 8.334 -13.980 -11.346 1.00 0.00 H new ATOM 0 HG3 MET A 16 8.999 -14.139 -12.960 1.00 0.00 H new ATOM 0 HE1 MET A 16 12.558 -15.404 -12.489 1.00 0.00 H new ATOM 0 HE2 MET A 16 11.108 -15.390 -13.521 1.00 0.00 H new ATOM 0 HE3 MET A 16 11.917 -13.861 -13.102 1.00 0.00 H new ATOM 35 N LYS A 17 8.714 -12.314 -9.020 1.00 0.00 N ATOM 36 CA LYS A 17 9.050 -12.260 -7.592 1.00 0.00 C ATOM 37 C LYS A 17 8.038 -11.416 -6.802 1.00 0.00 C ATOM 38 O LYS A 17 8.401 -10.729 -5.846 1.00 0.00 O ATOM 39 CB LYS A 17 10.471 -11.712 -7.403 1.00 0.00 C ATOM 40 CG LYS A 17 11.279 -12.457 -6.352 1.00 0.00 C ATOM 41 CD LYS A 17 12.584 -11.736 -6.036 1.00 0.00 C ATOM 42 CE LYS A 17 13.721 -12.712 -5.779 1.00 0.00 C ATOM 43 NZ LYS A 17 14.366 -12.476 -4.455 1.00 0.00 N ATOM 0 H LYS A 17 8.426 -13.237 -9.346 1.00 0.00 H new ATOM 0 HA LYS A 17 9.005 -13.276 -7.200 1.00 0.00 H new ATOM 0 HB2 LYS A 17 10.999 -11.760 -8.355 1.00 0.00 H new ATOM 0 HB3 LYS A 17 10.411 -10.660 -7.124 1.00 0.00 H new ATOM 0 HG2 LYS A 17 10.688 -12.558 -5.442 1.00 0.00 H new ATOM 0 HG3 LYS A 17 11.495 -13.465 -6.705 1.00 0.00 H new ATOM 0 HD2 LYS A 17 12.848 -11.081 -6.867 1.00 0.00 H new ATOM 0 HD3 LYS A 17 12.446 -11.101 -5.161 1.00 0.00 H new ATOM 0 HE2 LYS A 17 13.340 -13.732 -5.821 1.00 0.00 H new ATOM 0 HE3 LYS A 17 14.467 -12.617 -6.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 15.136 -13.161 -4.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 14.752 -11.511 -4.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 13.660 -12.591 -3.700 1.00 0.00 H new ATOM 57 N LEU A 18 6.769 -11.481 -7.202 1.00 0.00 N ATOM 58 CA LEU A 18 5.711 -10.730 -6.524 1.00 0.00 C ATOM 59 C LEU A 18 4.898 -11.643 -5.606 1.00 0.00 C ATOM 60 O LEU A 18 4.100 -12.461 -6.073 1.00 0.00 O ATOM 61 CB LEU A 18 4.793 -10.058 -7.551 1.00 0.00 C ATOM 62 CG LEU A 18 5.402 -8.852 -8.271 1.00 0.00 C ATOM 63 CD1 LEU A 18 5.727 -9.198 -9.715 1.00 0.00 C ATOM 64 CD2 LEU A 18 4.457 -7.664 -8.210 1.00 0.00 C ATOM 0 H LEU A 18 6.448 -12.044 -7.990 1.00 0.00 H new ATOM 0 HA LEU A 18 6.179 -9.959 -5.912 1.00 0.00 H new ATOM 0 HB2 LEU A 18 4.503 -10.799 -8.296 1.00 0.00 H new ATOM 0 HB3 LEU A 18 3.881 -9.739 -7.047 1.00 0.00 H new ATOM 0 HG LEU A 18 6.329 -8.583 -7.765 1.00 0.00 H new ATOM 0 HD11 LEU A 18 6.159 -8.328 -10.209 1.00 0.00 H new ATOM 0 HD12 LEU A 18 6.441 -10.021 -9.740 1.00 0.00 H new ATOM 0 HD13 LEU A 18 4.814 -9.494 -10.233 1.00 0.00 H new ATOM 0 HD21 LEU A 18 4.906 -6.815 -8.727 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.514 -7.924 -8.691 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.273 -7.399 -7.169 1.00 0.00 H new ATOM 76 N GLY A 19 5.115 -11.507 -4.297 1.00 0.00 N ATOM 77 CA GLY A 19 4.405 -12.331 -3.327 1.00 0.00 C ATOM 78 C GLY A 19 4.818 -13.791 -3.389 1.00 0.00 C ATOM 79 O GLY A 19 5.643 -14.242 -2.593 1.00 0.00 O ATOM 0 H GLY A 19 5.771 -10.840 -3.890 1.00 0.00 H new ATOM 0 HA2 GLY A 19 4.591 -11.947 -2.324 1.00 0.00 H new ATOM 0 HA3 GLY A 19 3.332 -12.253 -3.505 1.00 0.00 H new ATOM 83 N LEU A 20 4.247 -14.525 -4.341 1.00 0.00 N ATOM 84 CA LEU A 20 4.560 -15.945 -4.514 1.00 0.00 C ATOM 85 C LEU A 20 5.630 -16.154 -5.592 1.00 0.00 C ATOM 86 O LEU A 20 6.789 -16.423 -5.275 1.00 0.00 O ATOM 87 CB LEU A 20 3.292 -16.734 -4.863 1.00 0.00 C ATOM 88 CG LEU A 20 2.473 -17.206 -3.660 1.00 0.00 C ATOM 89 CD1 LEU A 20 1.309 -16.267 -3.405 1.00 0.00 C ATOM 90 CD2 LEU A 20 1.972 -18.624 -3.879 1.00 0.00 C ATOM 0 H LEU A 20 3.564 -14.161 -5.006 1.00 0.00 H new ATOM 0 HA LEU A 20 4.958 -16.316 -3.570 1.00 0.00 H new ATOM 0 HB2 LEU A 20 2.657 -16.112 -5.494 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.575 -17.604 -5.455 1.00 0.00 H new ATOM 0 HG LEU A 20 3.119 -17.200 -2.782 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.739 -16.620 -2.546 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.687 -15.265 -3.203 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.664 -16.241 -4.283 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.392 -18.943 -3.013 1.00 0.00 H new ATOM 0 HD22 LEU A 20 1.343 -18.654 -4.769 1.00 0.00 H new ATOM 0 HD23 LEU A 20 2.822 -19.294 -4.013 1.00 0.00 H new ATOM 102 N VAL A 21 5.238 -16.034 -6.862 1.00 0.00 N ATOM 103 CA VAL A 21 6.176 -16.219 -7.976 1.00 0.00 C ATOM 104 C VAL A 21 6.222 -14.992 -8.895 1.00 0.00 C ATOM 105 O VAL A 21 7.295 -14.448 -9.161 1.00 0.00 O ATOM 106 CB VAL A 21 5.825 -17.466 -8.821 1.00 0.00 C ATOM 107 CG1 VAL A 21 7.025 -17.908 -9.644 1.00 0.00 C ATOM 108 CG2 VAL A 21 5.343 -18.605 -7.934 1.00 0.00 C ATOM 0 H VAL A 21 4.284 -15.811 -7.146 1.00 0.00 H new ATOM 0 HA VAL A 21 7.157 -16.360 -7.522 1.00 0.00 H new ATOM 0 HB VAL A 21 5.017 -17.197 -9.501 1.00 0.00 H new ATOM 0 HG11 VAL A 21 6.759 -18.787 -10.232 1.00 0.00 H new ATOM 0 HG12 VAL A 21 7.325 -17.101 -10.313 1.00 0.00 H new ATOM 0 HG13 VAL A 21 7.852 -18.154 -8.978 1.00 0.00 H new ATOM 0 HG21 VAL A 21 5.102 -19.470 -8.552 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.127 -18.872 -7.226 1.00 0.00 H new ATOM 0 HG23 VAL A 21 4.453 -18.290 -7.389 1.00 0.00 H new ATOM 118 N ARG A 22 5.056 -14.566 -9.381 1.00 0.00 N ATOM 119 CA ARG A 22 4.971 -13.403 -10.273 1.00 0.00 C ATOM 120 C ARG A 22 3.555 -12.823 -10.289 1.00 0.00 C ATOM 121 O ARG A 22 3.355 -11.653 -9.966 1.00 0.00 O ATOM 122 CB ARG A 22 5.411 -13.775 -11.699 1.00 0.00 C ATOM 123 CG ARG A 22 4.984 -15.169 -12.146 1.00 0.00 C ATOM 124 CD ARG A 22 6.165 -15.979 -12.653 1.00 0.00 C ATOM 125 NE ARG A 22 5.745 -17.269 -13.208 1.00 0.00 N ATOM 126 CZ ARG A 22 5.258 -17.439 -14.432 1.00 0.00 C ATOM 127 NH1 ARG A 22 5.134 -16.415 -15.256 1.00 0.00 N ATOM 128 NH2 ARG A 22 4.896 -18.641 -14.834 1.00 0.00 N ATOM 0 H ARG A 22 4.159 -15.005 -9.175 1.00 0.00 H new ATOM 0 HA ARG A 22 5.648 -12.640 -9.889 1.00 0.00 H new ATOM 0 HB2 ARG A 22 5.002 -13.042 -12.395 1.00 0.00 H new ATOM 0 HB3 ARG A 22 6.497 -13.703 -11.762 1.00 0.00 H new ATOM 0 HG2 ARG A 22 4.515 -15.691 -11.312 1.00 0.00 H new ATOM 0 HG3 ARG A 22 4.234 -15.086 -12.933 1.00 0.00 H new ATOM 0 HD2 ARG A 22 6.694 -15.410 -13.417 1.00 0.00 H new ATOM 0 HD3 ARG A 22 6.868 -16.146 -11.837 1.00 0.00 H new ATOM 0 HE ARG A 22 5.833 -18.093 -12.613 1.00 0.00 H new ATOM 0 HH11 ARG A 22 5.413 -15.481 -14.955 1.00 0.00 H new ATOM 0 HH12 ARG A 22 4.759 -16.557 -16.194 1.00 0.00 H new ATOM 0 HH21 ARG A 22 4.990 -19.439 -14.205 1.00 0.00 H new ATOM 0 HH22 ARG A 22 4.522 -18.773 -15.774 1.00 0.00 H new ATOM 142 N PHE A 23 2.578 -13.650 -10.656 1.00 0.00 N ATOM 143 CA PHE A 23 1.183 -13.223 -10.702 1.00 0.00 C ATOM 144 C PHE A 23 0.353 -14.015 -9.693 1.00 0.00 C ATOM 145 O PHE A 23 -0.174 -15.086 -10.005 1.00 0.00 O ATOM 146 CB PHE A 23 0.620 -13.391 -12.116 1.00 0.00 C ATOM 147 CG PHE A 23 1.254 -12.477 -13.127 1.00 0.00 C ATOM 148 CD1 PHE A 23 0.866 -11.150 -13.217 1.00 0.00 C ATOM 149 CD2 PHE A 23 2.240 -12.943 -13.981 1.00 0.00 C ATOM 150 CE1 PHE A 23 1.450 -10.305 -14.141 1.00 0.00 C ATOM 151 CE2 PHE A 23 2.827 -12.103 -14.908 1.00 0.00 C ATOM 152 CZ PHE A 23 2.431 -10.783 -14.988 1.00 0.00 C ATOM 0 H PHE A 23 2.728 -14.622 -10.926 1.00 0.00 H new ATOM 0 HA PHE A 23 1.132 -12.167 -10.436 1.00 0.00 H new ATOM 0 HB2 PHE A 23 0.760 -14.424 -12.434 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -0.454 -13.207 -12.095 1.00 0.00 H new ATOM 0 HD1 PHE A 23 0.099 -10.772 -12.558 1.00 0.00 H new ATOM 0 HD2 PHE A 23 2.554 -13.975 -13.922 1.00 0.00 H new ATOM 0 HE1 PHE A 23 1.140 -9.272 -14.201 1.00 0.00 H new ATOM 0 HE2 PHE A 23 3.594 -12.479 -15.569 1.00 0.00 H new ATOM 0 HZ PHE A 23 2.888 -10.125 -15.712 1.00 0.00 H new ATOM 162 N SER A 24 0.257 -13.492 -8.475 1.00 0.00 N ATOM 163 CA SER A 24 -0.495 -14.153 -7.408 1.00 0.00 C ATOM 164 C SER A 24 -0.989 -13.137 -6.380 1.00 0.00 C ATOM 165 O SER A 24 -0.581 -11.974 -6.399 1.00 0.00 O ATOM 166 CB SER A 24 0.380 -15.211 -6.721 1.00 0.00 C ATOM 167 OG SER A 24 0.873 -16.166 -7.651 1.00 0.00 O ATOM 0 H SER A 24 0.691 -12.611 -8.199 1.00 0.00 H new ATOM 0 HA SER A 24 -1.362 -14.641 -7.854 1.00 0.00 H new ATOM 0 HB2 SER A 24 1.217 -14.723 -6.221 1.00 0.00 H new ATOM 0 HB3 SER A 24 -0.200 -15.719 -5.950 1.00 0.00 H new ATOM 0 HG SER A 24 1.427 -16.824 -7.182 1.00 0.00 H new ATOM 173 N MET A 25 -1.870 -13.584 -5.483 1.00 0.00 N ATOM 174 CA MET A 25 -2.427 -12.719 -4.440 1.00 0.00 C ATOM 175 C MET A 25 -3.152 -11.508 -5.048 1.00 0.00 C ATOM 176 O MET A 25 -2.982 -10.375 -4.590 1.00 0.00 O ATOM 177 CB MET A 25 -1.312 -12.259 -3.490 1.00 0.00 C ATOM 178 CG MET A 25 -1.616 -12.506 -2.020 1.00 0.00 C ATOM 179 SD MET A 25 -0.499 -13.709 -1.274 1.00 0.00 S ATOM 180 CE MET A 25 -1.265 -15.243 -1.787 1.00 0.00 C ATOM 0 H MET A 25 -2.214 -14.544 -5.458 1.00 0.00 H new ATOM 0 HA MET A 25 -3.161 -13.294 -3.875 1.00 0.00 H new ATOM 0 HB2 MET A 25 -0.388 -12.775 -3.752 1.00 0.00 H new ATOM 0 HB3 MET A 25 -1.136 -11.194 -3.641 1.00 0.00 H new ATOM 0 HG2 MET A 25 -1.547 -11.564 -1.475 1.00 0.00 H new ATOM 0 HG3 MET A 25 -2.643 -12.858 -1.919 1.00 0.00 H new ATOM 0 HE1 MET A 25 -0.914 -16.055 -1.151 1.00 0.00 H new ATOM 0 HE2 MET A 25 -2.348 -15.156 -1.700 1.00 0.00 H new ATOM 0 HE3 MET A 25 -1.000 -15.453 -2.823 1.00 0.00 H new ATOM 190 N LEU A 26 -3.968 -11.762 -6.077 1.00 0.00 N ATOM 191 CA LEU A 26 -4.727 -10.701 -6.755 1.00 0.00 C ATOM 192 C LEU A 26 -5.342 -9.714 -5.757 1.00 0.00 C ATOM 193 O LEU A 26 -5.358 -8.503 -6.002 1.00 0.00 O ATOM 194 CB LEU A 26 -5.826 -11.312 -7.632 1.00 0.00 C ATOM 195 CG LEU A 26 -6.186 -10.500 -8.877 1.00 0.00 C ATOM 196 CD1 LEU A 26 -5.264 -10.856 -10.032 1.00 0.00 C ATOM 197 CD2 LEU A 26 -7.636 -10.737 -9.265 1.00 0.00 C ATOM 0 H LEU A 26 -4.121 -12.695 -6.460 1.00 0.00 H new ATOM 0 HA LEU A 26 -4.028 -10.148 -7.382 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -5.509 -12.307 -7.945 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -6.724 -11.439 -7.027 1.00 0.00 H new ATOM 0 HG LEU A 26 -6.057 -9.443 -8.646 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -5.536 -10.268 -10.909 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.233 -10.638 -9.755 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -5.362 -11.917 -10.262 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -7.875 -10.152 -10.153 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -7.788 -11.795 -9.476 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -8.286 -10.434 -8.444 1.00 0.00 H new ATOM 209 N LEU A 27 -5.835 -10.239 -4.629 1.00 0.00 N ATOM 210 CA LEU A 27 -6.441 -9.410 -3.579 1.00 0.00 C ATOM 211 C LEU A 27 -5.604 -8.161 -3.300 1.00 0.00 C ATOM 212 O LEU A 27 -6.152 -7.075 -3.087 1.00 0.00 O ATOM 213 CB LEU A 27 -6.602 -10.225 -2.292 1.00 0.00 C ATOM 214 CG LEU A 27 -8.017 -10.733 -2.018 1.00 0.00 C ATOM 215 CD1 LEU A 27 -8.476 -11.660 -3.133 1.00 0.00 C ATOM 216 CD2 LEU A 27 -8.069 -11.443 -0.676 1.00 0.00 C ATOM 0 H LEU A 27 -5.826 -11.237 -4.419 1.00 0.00 H new ATOM 0 HA LEU A 27 -7.421 -9.089 -3.932 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -5.928 -11.080 -2.336 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -6.284 -9.611 -1.450 1.00 0.00 H new ATOM 0 HG LEU A 27 -8.694 -9.879 -1.985 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -9.486 -12.012 -2.921 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -8.471 -11.120 -4.080 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -7.801 -12.513 -3.198 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -9.082 -11.800 -0.492 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -7.382 -12.289 -0.685 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -7.780 -10.750 0.114 1.00 0.00 H new ATOM 228 N ALA A 28 -4.275 -8.317 -3.313 1.00 0.00 N ATOM 229 CA ALA A 28 -3.366 -7.201 -3.075 1.00 0.00 C ATOM 230 C ALA A 28 -3.771 -5.987 -3.909 1.00 0.00 C ATOM 231 O ALA A 28 -3.896 -4.876 -3.386 1.00 0.00 O ATOM 232 CB ALA A 28 -1.934 -7.617 -3.383 1.00 0.00 C ATOM 0 H ALA A 28 -3.810 -9.208 -3.486 1.00 0.00 H new ATOM 0 HA ALA A 28 -3.426 -6.920 -2.024 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -1.264 -6.776 -3.202 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -1.651 -8.451 -2.741 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -1.860 -7.922 -4.427 1.00 0.00 H new ATOM 238 N LEU A 29 -4.013 -6.216 -5.203 1.00 0.00 N ATOM 239 CA LEU A 29 -4.438 -5.148 -6.107 1.00 0.00 C ATOM 240 C LEU A 29 -5.634 -4.394 -5.524 1.00 0.00 C ATOM 241 O LEU A 29 -5.705 -3.166 -5.604 1.00 0.00 O ATOM 242 CB LEU A 29 -4.794 -5.722 -7.483 1.00 0.00 C ATOM 243 CG LEU A 29 -5.155 -4.684 -8.548 1.00 0.00 C ATOM 244 CD1 LEU A 29 -3.914 -4.241 -9.305 1.00 0.00 C ATOM 245 CD2 LEU A 29 -6.190 -5.245 -9.507 1.00 0.00 C ATOM 0 H LEU A 29 -3.922 -7.130 -5.646 1.00 0.00 H new ATOM 0 HA LEU A 29 -3.610 -4.448 -6.223 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -3.950 -6.310 -7.843 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -5.634 -6.407 -7.367 1.00 0.00 H new ATOM 0 HG LEU A 29 -5.582 -3.814 -8.049 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -4.191 -3.503 -10.058 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -3.201 -3.799 -8.609 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -3.458 -5.103 -9.792 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -6.435 -4.494 -10.258 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -5.788 -6.131 -9.998 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -7.090 -5.513 -8.954 1.00 0.00 H new ATOM 257 N ALA A 30 -6.559 -5.140 -4.911 1.00 0.00 N ATOM 258 CA ALA A 30 -7.736 -4.543 -4.289 1.00 0.00 C ATOM 259 C ALA A 30 -7.333 -3.654 -3.114 1.00 0.00 C ATOM 260 O ALA A 30 -7.932 -2.602 -2.895 1.00 0.00 O ATOM 261 CB ALA A 30 -8.705 -5.629 -3.840 1.00 0.00 C ATOM 0 H ALA A 30 -6.512 -6.156 -4.835 1.00 0.00 H new ATOM 0 HA ALA A 30 -8.239 -3.918 -5.027 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -9.578 -5.169 -3.378 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -9.018 -6.216 -4.703 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -8.213 -6.280 -3.117 1.00 0.00 H new ATOM 267 N LEU A 31 -6.294 -4.065 -2.379 1.00 0.00 N ATOM 268 CA LEU A 31 -5.801 -3.278 -1.248 1.00 0.00 C ATOM 269 C LEU A 31 -5.205 -1.968 -1.757 1.00 0.00 C ATOM 270 O LEU A 31 -5.550 -0.885 -1.275 1.00 0.00 O ATOM 271 CB LEU A 31 -4.759 -4.075 -0.450 1.00 0.00 C ATOM 272 CG LEU A 31 -5.311 -4.843 0.756 1.00 0.00 C ATOM 273 CD1 LEU A 31 -6.385 -5.827 0.320 1.00 0.00 C ATOM 274 CD2 LEU A 31 -4.189 -5.570 1.482 1.00 0.00 C ATOM 0 H LEU A 31 -5.783 -4.932 -2.547 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.633 -3.052 -0.581 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.274 -4.784 -1.122 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.988 -3.388 -0.101 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.761 -4.125 1.442 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -6.764 -6.362 1.191 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -7.202 -5.286 -0.157 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.960 -6.540 -0.387 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.598 -6.110 2.336 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.712 -6.275 0.801 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -3.452 -4.846 1.830 1.00 0.00 H new ATOM 286 N VAL A 32 -4.335 -2.072 -2.764 1.00 0.00 N ATOM 287 CA VAL A 32 -3.720 -0.891 -3.369 1.00 0.00 C ATOM 288 C VAL A 32 -4.806 0.024 -3.941 1.00 0.00 C ATOM 289 O VAL A 32 -4.836 1.223 -3.654 1.00 0.00 O ATOM 290 CB VAL A 32 -2.722 -1.271 -4.488 1.00 0.00 C ATOM 291 CG1 VAL A 32 -2.103 -0.025 -5.105 1.00 0.00 C ATOM 292 CG2 VAL A 32 -1.636 -2.189 -3.951 1.00 0.00 C ATOM 0 H VAL A 32 -4.042 -2.958 -3.175 1.00 0.00 H new ATOM 0 HA VAL A 32 -3.166 -0.370 -2.588 1.00 0.00 H new ATOM 0 HB VAL A 32 -3.272 -1.803 -5.264 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -1.404 -0.316 -5.889 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -2.889 0.598 -5.532 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -1.572 0.536 -4.336 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -0.945 -2.444 -4.754 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -1.093 -1.683 -3.153 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -2.090 -3.100 -3.560 1.00 0.00 H new ATOM 302 N VAL A 33 -5.714 -0.561 -4.729 1.00 0.00 N ATOM 303 CA VAL A 33 -6.823 0.191 -5.319 1.00 0.00 C ATOM 304 C VAL A 33 -7.642 0.871 -4.223 1.00 0.00 C ATOM 305 O VAL A 33 -7.882 2.080 -4.280 1.00 0.00 O ATOM 306 CB VAL A 33 -7.740 -0.718 -6.169 1.00 0.00 C ATOM 307 CG1 VAL A 33 -9.064 -0.031 -6.474 1.00 0.00 C ATOM 308 CG2 VAL A 33 -7.044 -1.119 -7.459 1.00 0.00 C ATOM 0 H VAL A 33 -5.702 -1.552 -4.972 1.00 0.00 H new ATOM 0 HA VAL A 33 -6.395 0.948 -5.976 1.00 0.00 H new ATOM 0 HB VAL A 33 -7.951 -1.617 -5.590 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -9.688 -0.694 -7.073 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -9.576 0.204 -5.541 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -8.877 0.890 -7.027 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -7.704 -1.759 -8.045 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -6.800 -0.226 -8.034 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -6.128 -1.661 -7.225 1.00 0.00 H new ATOM 318 N LEU A 34 -8.043 0.097 -3.208 1.00 0.00 N ATOM 319 CA LEU A 34 -8.807 0.643 -2.087 1.00 0.00 C ATOM 320 C LEU A 34 -8.038 1.803 -1.460 1.00 0.00 C ATOM 321 O LEU A 34 -8.599 2.874 -1.230 1.00 0.00 O ATOM 322 CB LEU A 34 -9.096 -0.439 -1.040 1.00 0.00 C ATOM 323 CG LEU A 34 -10.499 -0.388 -0.430 1.00 0.00 C ATOM 324 CD1 LEU A 34 -11.534 -0.890 -1.425 1.00 0.00 C ATOM 325 CD2 LEU A 34 -10.554 -1.208 0.849 1.00 0.00 C ATOM 0 H LEU A 34 -7.851 -0.903 -3.142 1.00 0.00 H new ATOM 0 HA LEU A 34 -9.764 1.008 -2.461 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -8.951 -1.417 -1.500 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -8.363 -0.352 -0.238 1.00 0.00 H new ATOM 0 HG LEU A 34 -10.729 0.649 -0.187 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -12.525 -0.846 -0.973 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -11.514 -0.264 -2.317 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -11.306 -1.920 -1.699 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -11.559 -1.160 1.269 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -10.302 -2.245 0.627 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -9.841 -0.807 1.569 1.00 0.00 H new ATOM 337 N ALA A 35 -6.738 1.589 -1.223 1.00 0.00 N ATOM 338 CA ALA A 35 -5.881 2.632 -0.663 1.00 0.00 C ATOM 339 C ALA A 35 -5.936 3.881 -1.541 1.00 0.00 C ATOM 340 O ALA A 35 -6.144 4.993 -1.047 1.00 0.00 O ATOM 341 CB ALA A 35 -4.450 2.131 -0.532 1.00 0.00 C ATOM 0 H ALA A 35 -6.262 0.707 -1.410 1.00 0.00 H new ATOM 0 HA ALA A 35 -6.244 2.889 0.332 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -3.825 2.920 -0.113 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -4.427 1.263 0.126 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -4.071 1.851 -1.515 1.00 0.00 H new ATOM 347 N ILE A 36 -5.780 3.682 -2.856 1.00 0.00 N ATOM 348 CA ILE A 36 -5.846 4.784 -3.815 1.00 0.00 C ATOM 349 C ILE A 36 -7.181 5.513 -3.671 1.00 0.00 C ATOM 350 O ILE A 36 -7.222 6.739 -3.559 1.00 0.00 O ATOM 351 CB ILE A 36 -5.687 4.287 -5.273 1.00 0.00 C ATOM 352 CG1 ILE A 36 -4.322 3.625 -5.471 1.00 0.00 C ATOM 353 CG2 ILE A 36 -5.860 5.438 -6.256 1.00 0.00 C ATOM 354 CD1 ILE A 36 -4.297 2.621 -6.605 1.00 0.00 C ATOM 0 H ILE A 36 -5.608 2.769 -3.276 1.00 0.00 H new ATOM 0 HA ILE A 36 -5.021 5.463 -3.597 1.00 0.00 H new ATOM 0 HB ILE A 36 -6.464 3.547 -5.465 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -3.577 4.397 -5.663 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -4.032 3.125 -4.547 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -5.744 5.067 -7.274 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -6.853 5.871 -6.138 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -5.106 6.200 -6.060 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -3.299 2.191 -6.688 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -5.018 1.828 -6.405 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.556 3.120 -7.539 1.00 0.00 H new ATOM 366 N VAL A 37 -8.270 4.739 -3.643 1.00 0.00 N ATOM 367 CA VAL A 37 -9.612 5.298 -3.476 1.00 0.00 C ATOM 368 C VAL A 37 -9.679 6.122 -2.188 1.00 0.00 C ATOM 369 O VAL A 37 -10.161 7.257 -2.191 1.00 0.00 O ATOM 370 CB VAL A 37 -10.690 4.190 -3.432 1.00 0.00 C ATOM 371 CG1 VAL A 37 -12.075 4.791 -3.242 1.00 0.00 C ATOM 372 CG2 VAL A 37 -10.647 3.347 -4.699 1.00 0.00 C ATOM 0 H VAL A 37 -8.247 3.723 -3.734 1.00 0.00 H new ATOM 0 HA VAL A 37 -9.813 5.936 -4.337 1.00 0.00 H new ATOM 0 HB VAL A 37 -10.476 3.544 -2.580 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -12.817 3.993 -3.214 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -12.105 5.347 -2.305 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -12.297 5.464 -4.071 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -11.413 2.574 -4.648 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -10.831 3.983 -5.565 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -9.666 2.881 -4.793 1.00 0.00 H new ATOM 382 N VAL A 38 -9.169 5.544 -1.095 1.00 0.00 N ATOM 383 CA VAL A 38 -9.142 6.227 0.199 1.00 0.00 C ATOM 384 C VAL A 38 -8.398 7.557 0.080 1.00 0.00 C ATOM 385 O VAL A 38 -8.922 8.608 0.455 1.00 0.00 O ATOM 386 CB VAL A 38 -8.472 5.358 1.288 1.00 0.00 C ATOM 387 CG1 VAL A 38 -8.383 6.111 2.609 1.00 0.00 C ATOM 388 CG2 VAL A 38 -9.231 4.052 1.475 1.00 0.00 C ATOM 0 H VAL A 38 -8.770 4.605 -1.083 1.00 0.00 H new ATOM 0 HA VAL A 38 -10.175 6.409 0.494 1.00 0.00 H new ATOM 0 HB VAL A 38 -7.459 5.128 0.957 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -7.908 5.477 3.358 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -7.792 7.017 2.472 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -9.385 6.379 2.943 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -8.743 3.455 2.246 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -10.256 4.267 1.777 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -9.238 3.498 0.537 1.00 0.00 H new ATOM 398 N GLN A 39 -7.181 7.507 -0.473 1.00 0.00 N ATOM 399 CA GLN A 39 -6.380 8.715 -0.666 1.00 0.00 C ATOM 400 C GLN A 39 -7.162 9.729 -1.501 1.00 0.00 C ATOM 401 O GLN A 39 -7.298 10.892 -1.114 1.00 0.00 O ATOM 402 CB GLN A 39 -5.046 8.383 -1.346 1.00 0.00 C ATOM 403 CG GLN A 39 -3.873 9.204 -0.826 1.00 0.00 C ATOM 404 CD GLN A 39 -3.757 10.564 -1.491 1.00 0.00 C ATOM 405 OE1 GLN A 39 -2.921 10.772 -2.366 1.00 0.00 O ATOM 406 NE2 GLN A 39 -4.594 11.504 -1.080 1.00 0.00 N ATOM 0 H GLN A 39 -6.734 6.648 -0.792 1.00 0.00 H new ATOM 0 HA GLN A 39 -6.164 9.147 0.311 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -4.829 7.324 -1.203 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -5.145 8.546 -2.419 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -3.981 9.340 0.250 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -2.949 8.648 -0.986 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -5.276 11.296 -0.351 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -4.557 12.436 -1.493 1.00 0.00 H new ATOM 415 N MET A 40 -7.697 9.266 -2.634 1.00 0.00 N ATOM 416 CA MET A 40 -8.494 10.116 -3.517 1.00 0.00 C ATOM 417 C MET A 40 -9.609 10.793 -2.724 1.00 0.00 C ATOM 418 O MET A 40 -9.751 12.020 -2.761 1.00 0.00 O ATOM 419 CB MET A 40 -9.082 9.288 -4.665 1.00 0.00 C ATOM 420 CG MET A 40 -8.056 8.871 -5.705 1.00 0.00 C ATOM 421 SD MET A 40 -8.772 7.883 -7.030 1.00 0.00 S ATOM 422 CE MET A 40 -7.884 8.525 -8.446 1.00 0.00 C ATOM 0 H MET A 40 -7.591 8.305 -2.960 1.00 0.00 H new ATOM 0 HA MET A 40 -7.849 10.885 -3.942 1.00 0.00 H new ATOM 0 HB2 MET A 40 -9.553 8.395 -4.253 1.00 0.00 H new ATOM 0 HB3 MET A 40 -9.867 9.866 -5.153 1.00 0.00 H new ATOM 0 HG2 MET A 40 -7.593 9.761 -6.131 1.00 0.00 H new ATOM 0 HG3 MET A 40 -7.264 8.301 -5.220 1.00 0.00 H new ATOM 0 HE1 MET A 40 -8.217 8.011 -9.348 1.00 0.00 H new ATOM 0 HE2 MET A 40 -8.079 9.593 -8.544 1.00 0.00 H new ATOM 0 HE3 MET A 40 -6.815 8.362 -8.309 1.00 0.00 H new ATOM 432 N ALA A 41 -10.374 9.987 -1.982 1.00 0.00 N ATOM 433 CA ALA A 41 -11.455 10.509 -1.149 1.00 0.00 C ATOM 434 C ALA A 41 -10.917 11.566 -0.185 1.00 0.00 C ATOM 435 O ALA A 41 -11.506 12.640 -0.033 1.00 0.00 O ATOM 436 CB ALA A 41 -12.127 9.376 -0.386 1.00 0.00 C ATOM 0 H ALA A 41 -10.263 8.974 -1.943 1.00 0.00 H new ATOM 0 HA ALA A 41 -12.200 10.978 -1.792 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -12.930 9.779 0.231 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -12.538 8.655 -1.093 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -11.394 8.881 0.251 1.00 0.00 H new ATOM 442 N VAL A 42 -9.775 11.263 0.445 1.00 0.00 N ATOM 443 CA VAL A 42 -9.135 12.193 1.375 1.00 0.00 C ATOM 444 C VAL A 42 -8.885 13.541 0.697 1.00 0.00 C ATOM 445 O VAL A 42 -9.208 14.585 1.253 1.00 0.00 O ATOM 446 CB VAL A 42 -7.799 11.632 1.917 1.00 0.00 C ATOM 447 CG1 VAL A 42 -6.987 12.722 2.603 1.00 0.00 C ATOM 448 CG2 VAL A 42 -8.055 10.480 2.875 1.00 0.00 C ATOM 0 H VAL A 42 -9.278 10.380 0.326 1.00 0.00 H new ATOM 0 HA VAL A 42 -9.815 12.328 2.216 1.00 0.00 H new ATOM 0 HB VAL A 42 -7.221 11.260 1.071 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -6.053 12.301 2.975 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -6.768 13.516 1.889 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -7.558 13.131 3.437 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -7.104 10.098 3.246 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -8.657 10.831 3.713 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -8.587 9.684 2.353 1.00 0.00 H new ATOM 458 N THR A 43 -8.320 13.511 -0.510 1.00 0.00 N ATOM 459 CA THR A 43 -8.050 14.742 -1.260 1.00 0.00 C ATOM 460 C THR A 43 -9.348 15.483 -1.582 1.00 0.00 C ATOM 461 O THR A 43 -9.398 16.711 -1.532 1.00 0.00 O ATOM 462 CB THR A 43 -7.294 14.444 -2.565 1.00 0.00 C ATOM 463 OG1 THR A 43 -7.472 13.098 -2.970 1.00 0.00 O ATOM 464 CG2 THR A 43 -5.807 14.689 -2.461 1.00 0.00 C ATOM 0 H THR A 43 -8.041 12.655 -0.989 1.00 0.00 H new ATOM 0 HA THR A 43 -7.426 15.374 -0.628 1.00 0.00 H new ATOM 0 HB THR A 43 -7.719 15.132 -3.296 1.00 0.00 H new ATOM 0 HG1 THR A 43 -8.411 12.949 -3.207 1.00 0.00 H new ATOM 0 HG21 THR A 43 -5.333 14.460 -3.415 1.00 0.00 H new ATOM 0 HG22 THR A 43 -5.627 15.734 -2.208 1.00 0.00 H new ATOM 0 HG23 THR A 43 -5.386 14.050 -1.684 1.00 0.00 H new ATOM 472 N MET A 44 -10.396 14.728 -1.916 1.00 0.00 N ATOM 473 CA MET A 44 -11.696 15.315 -2.249 1.00 0.00 C ATOM 474 C MET A 44 -12.340 15.984 -1.029 1.00 0.00 C ATOM 475 O MET A 44 -12.798 17.127 -1.112 1.00 0.00 O ATOM 476 CB MET A 44 -12.630 14.241 -2.817 1.00 0.00 C ATOM 477 CG MET A 44 -13.786 14.808 -3.629 1.00 0.00 C ATOM 478 SD MET A 44 -14.944 13.534 -4.163 1.00 0.00 S ATOM 479 CE MET A 44 -14.803 13.670 -5.944 1.00 0.00 C ATOM 0 H MET A 44 -10.370 13.709 -1.963 1.00 0.00 H new ATOM 0 HA MET A 44 -11.532 16.084 -3.004 1.00 0.00 H new ATOM 0 HB2 MET A 44 -12.052 13.564 -3.446 1.00 0.00 H new ATOM 0 HB3 MET A 44 -13.031 13.648 -1.995 1.00 0.00 H new ATOM 0 HG2 MET A 44 -14.316 15.549 -3.031 1.00 0.00 H new ATOM 0 HG3 MET A 44 -13.392 15.326 -4.503 1.00 0.00 H new ATOM 0 HE1 MET A 44 -15.462 12.943 -6.418 1.00 0.00 H new ATOM 0 HE2 MET A 44 -15.087 14.675 -6.256 1.00 0.00 H new ATOM 0 HE3 MET A 44 -13.773 13.475 -6.243 1.00 0.00 H new ATOM 489 N VAL A 45 -12.381 15.268 0.097 1.00 0.00 N ATOM 490 CA VAL A 45 -12.979 15.806 1.326 1.00 0.00 C ATOM 491 C VAL A 45 -12.084 16.866 1.976 1.00 0.00 C ATOM 492 O VAL A 45 -12.568 17.901 2.440 1.00 0.00 O ATOM 493 CB VAL A 45 -13.290 14.692 2.355 1.00 0.00 C ATOM 494 CG1 VAL A 45 -14.284 13.695 1.779 1.00 0.00 C ATOM 495 CG2 VAL A 45 -12.020 13.981 2.804 1.00 0.00 C ATOM 0 H VAL A 45 -12.011 14.322 0.186 1.00 0.00 H new ATOM 0 HA VAL A 45 -13.917 16.274 1.027 1.00 0.00 H new ATOM 0 HB VAL A 45 -13.736 15.163 3.231 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -14.490 12.919 2.517 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -15.210 14.210 1.525 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -13.864 13.240 0.882 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -12.273 13.205 3.526 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -11.532 13.528 1.941 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -11.344 14.700 3.267 1.00 0.00 H new ATOM 505 N LEU A 46 -10.777 16.609 2.004 1.00 0.00 N ATOM 506 CA LEU A 46 -9.815 17.541 2.589 1.00 0.00 C ATOM 507 C LEU A 46 -9.407 18.605 1.568 1.00 0.00 C ATOM 508 O LEU A 46 -8.334 18.528 0.968 1.00 0.00 O ATOM 509 CB LEU A 46 -8.584 16.778 3.092 1.00 0.00 C ATOM 510 CG LEU A 46 -7.747 17.505 4.149 1.00 0.00 C ATOM 511 CD1 LEU A 46 -7.168 16.514 5.145 1.00 0.00 C ATOM 512 CD2 LEU A 46 -6.634 18.304 3.493 1.00 0.00 C ATOM 0 H LEU A 46 -10.359 15.759 1.626 1.00 0.00 H new ATOM 0 HA LEU A 46 -10.285 18.044 3.434 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -8.913 15.825 3.506 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -7.944 16.552 2.239 1.00 0.00 H new ATOM 0 HG LEU A 46 -8.399 18.195 4.685 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -6.576 17.049 5.888 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -7.979 15.981 5.642 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -6.533 15.800 4.621 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -6.051 18.813 4.260 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -5.986 17.632 2.931 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -7.066 19.041 2.816 1.00 0.00 H new ATOM 524 N HIS A 47 -10.279 19.594 1.373 1.00 0.00 N ATOM 525 CA HIS A 47 -10.031 20.683 0.422 1.00 0.00 C ATOM 526 C HIS A 47 -10.206 20.203 -1.023 1.00 0.00 C ATOM 527 O HIS A 47 -9.231 19.936 -1.728 1.00 0.00 O ATOM 528 CB HIS A 47 -8.627 21.273 0.626 1.00 0.00 C ATOM 529 CG HIS A 47 -8.636 22.715 1.018 1.00 0.00 C ATOM 530 ND1 HIS A 47 -8.555 23.138 2.327 1.00 0.00 N ATOM 531 CD2 HIS A 47 -8.718 23.836 0.266 1.00 0.00 C ATOM 532 CE1 HIS A 47 -8.588 24.458 2.364 1.00 0.00 C ATOM 533 NE2 HIS A 47 -8.686 24.907 1.125 1.00 0.00 N ATOM 0 H HIS A 47 -11.170 19.665 1.864 1.00 0.00 H new ATOM 0 HA HIS A 47 -10.766 21.466 0.610 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -8.109 20.699 1.394 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -8.057 21.159 -0.296 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -8.794 23.881 -0.810 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -8.543 25.067 3.255 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -8.731 25.889 0.851 1.00 0.00 H new ATOM 542 N GLY A 48 -11.466 20.099 -1.453 1.00 0.00 N ATOM 543 CA GLY A 48 -11.771 19.651 -2.811 1.00 0.00 C ATOM 544 C GLY A 48 -11.187 20.546 -3.896 1.00 0.00 C ATOM 545 O GLY A 48 -11.001 20.102 -5.028 1.00 0.00 O ATOM 0 H GLY A 48 -12.284 20.317 -0.885 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -11.391 18.638 -2.944 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -12.853 19.604 -2.934 1.00 0.00 H new ATOM 549 N GLN A 49 -10.897 21.803 -3.555 1.00 0.00 N ATOM 550 CA GLN A 49 -10.325 22.747 -4.517 1.00 0.00 C ATOM 551 C GLN A 49 -8.823 22.507 -4.688 1.00 0.00 C ATOM 552 O GLN A 49 -8.153 22.044 -3.761 1.00 0.00 O ATOM 553 CB GLN A 49 -10.582 24.190 -4.067 1.00 0.00 C ATOM 554 CG GLN A 49 -11.558 24.942 -4.960 1.00 0.00 C ATOM 555 CD GLN A 49 -11.505 26.444 -4.758 1.00 0.00 C ATOM 556 OE1 GLN A 49 -12.257 27.001 -3.964 1.00 0.00 O ATOM 557 NE2 GLN A 49 -10.614 27.110 -5.478 1.00 0.00 N ATOM 0 H GLN A 49 -11.048 22.190 -2.623 1.00 0.00 H new ATOM 0 HA GLN A 49 -10.810 22.587 -5.480 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -10.968 24.181 -3.048 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -9.635 24.729 -4.044 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -11.339 24.713 -6.003 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -12.570 24.589 -4.762 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -10.007 26.610 -6.127 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -10.535 28.122 -5.383 1.00 0.00 H new ATOM 566 N VAL A 50 -8.306 22.824 -5.881 1.00 0.00 N ATOM 567 CA VAL A 50 -6.883 22.644 -6.198 1.00 0.00 C ATOM 568 C VAL A 50 -6.573 21.179 -6.526 1.00 0.00 C ATOM 569 O VAL A 50 -7.074 20.267 -5.867 1.00 0.00 O ATOM 570 CB VAL A 50 -5.964 23.125 -5.048 1.00 0.00 C ATOM 571 CG1 VAL A 50 -4.500 23.056 -5.453 1.00 0.00 C ATOM 572 CG2 VAL A 50 -6.327 24.541 -4.625 1.00 0.00 C ATOM 0 H VAL A 50 -8.856 23.209 -6.648 1.00 0.00 H new ATOM 0 HA VAL A 50 -6.679 23.259 -7.074 1.00 0.00 H new ATOM 0 HB VAL A 50 -6.116 22.458 -4.199 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -3.877 23.399 -4.627 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -4.239 22.027 -5.701 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -4.333 23.692 -6.322 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -5.669 24.859 -3.816 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -6.211 25.215 -5.474 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -7.361 24.564 -4.282 1.00 0.00 H new ATOM 582 N GLU A 51 -5.749 20.967 -7.554 1.00 0.00 N ATOM 583 CA GLU A 51 -5.367 19.619 -7.992 1.00 0.00 C ATOM 584 C GLU A 51 -4.995 18.714 -6.814 1.00 0.00 C ATOM 585 O GLU A 51 -5.349 17.535 -6.793 1.00 0.00 O ATOM 586 CB GLU A 51 -4.199 19.691 -8.989 1.00 0.00 C ATOM 587 CG GLU A 51 -3.050 20.594 -8.543 1.00 0.00 C ATOM 588 CD GLU A 51 -3.164 22.006 -9.083 1.00 0.00 C ATOM 589 OE1 GLU A 51 -4.138 22.703 -8.723 1.00 0.00 O ATOM 590 OE2 GLU A 51 -2.281 22.415 -9.863 1.00 0.00 O ATOM 0 H GLU A 51 -5.330 21.717 -8.104 1.00 0.00 H new ATOM 0 HA GLU A 51 -6.236 19.181 -8.483 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -3.813 18.685 -9.153 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -4.576 20.048 -9.948 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -3.024 20.628 -7.454 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -2.105 20.160 -8.871 1.00 0.00 H new ATOM 597 N SER A 52 -4.282 19.268 -5.839 1.00 0.00 N ATOM 598 CA SER A 52 -3.868 18.510 -4.662 1.00 0.00 C ATOM 599 C SER A 52 -3.886 19.394 -3.414 1.00 0.00 C ATOM 600 O SER A 52 -2.939 19.392 -2.622 1.00 0.00 O ATOM 601 CB SER A 52 -2.471 17.915 -4.874 1.00 0.00 C ATOM 602 OG SER A 52 -1.667 18.759 -5.686 1.00 0.00 O ATOM 0 H SER A 52 -3.978 20.242 -5.840 1.00 0.00 H new ATOM 0 HA SER A 52 -4.576 17.695 -4.514 1.00 0.00 H new ATOM 0 HB2 SER A 52 -1.987 17.767 -3.909 1.00 0.00 H new ATOM 0 HB3 SER A 52 -2.559 16.934 -5.341 1.00 0.00 H new ATOM 0 HG SER A 52 -1.513 19.609 -5.223 1.00 0.00 H new ATOM 608 N ILE A 53 -4.974 20.152 -3.247 1.00 0.00 N ATOM 609 CA ILE A 53 -5.134 21.054 -2.100 1.00 0.00 C ATOM 610 C ILE A 53 -4.161 22.234 -2.176 1.00 0.00 C ATOM 611 O ILE A 53 -4.583 23.392 -2.200 1.00 0.00 O ATOM 612 CB ILE A 53 -4.939 20.311 -0.757 1.00 0.00 C ATOM 613 CG1 ILE A 53 -6.002 19.224 -0.592 1.00 0.00 C ATOM 614 CG2 ILE A 53 -4.993 21.284 0.413 1.00 0.00 C ATOM 615 CD1 ILE A 53 -5.478 17.823 -0.813 1.00 0.00 C ATOM 0 H ILE A 53 -5.762 20.159 -3.895 1.00 0.00 H new ATOM 0 HA ILE A 53 -6.155 21.434 -2.143 1.00 0.00 H new ATOM 0 HB ILE A 53 -3.955 19.842 -0.766 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -6.424 19.290 0.411 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -6.815 19.413 -1.293 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -4.854 20.739 1.346 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -4.203 22.027 0.305 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -5.962 21.784 0.426 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -6.288 17.106 -0.679 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -5.082 17.738 -1.825 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -4.686 17.613 -0.094 1.00 0.00 H new ATOM 627 N ASP A 54 -2.864 21.935 -2.219 1.00 0.00 N ATOM 628 CA ASP A 54 -1.835 22.967 -2.297 1.00 0.00 C ATOM 629 C ASP A 54 -0.658 22.518 -3.175 1.00 0.00 C ATOM 630 O ASP A 54 -0.725 21.482 -3.843 1.00 0.00 O ATOM 631 CB ASP A 54 -1.348 23.324 -0.888 1.00 0.00 C ATOM 632 CG ASP A 54 -1.189 24.815 -0.701 1.00 0.00 C ATOM 633 OD1 ASP A 54 -0.284 25.392 -1.337 1.00 0.00 O ATOM 634 OD2 ASP A 54 -1.970 25.401 0.074 1.00 0.00 O ATOM 0 H ASP A 54 -2.501 20.982 -2.201 1.00 0.00 H new ATOM 0 HA ASP A 54 -2.273 23.852 -2.760 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -2.055 22.940 -0.153 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -0.394 22.832 -0.699 1.00 0.00 H new ATOM 639 N VAL A 55 0.416 23.305 -3.173 1.00 0.00 N ATOM 640 CA VAL A 55 1.606 22.992 -3.975 1.00 0.00 C ATOM 641 C VAL A 55 2.366 21.777 -3.419 1.00 0.00 C ATOM 642 O VAL A 55 3.478 21.901 -2.897 1.00 0.00 O ATOM 643 CB VAL A 55 2.560 24.207 -4.074 1.00 0.00 C ATOM 644 CG1 VAL A 55 2.003 25.242 -5.039 1.00 0.00 C ATOM 645 CG2 VAL A 55 2.800 24.831 -2.705 1.00 0.00 C ATOM 0 H VAL A 55 0.491 24.164 -2.627 1.00 0.00 H new ATOM 0 HA VAL A 55 1.250 22.746 -4.975 1.00 0.00 H new ATOM 0 HB VAL A 55 3.518 23.853 -4.455 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.686 26.090 -5.097 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.893 24.796 -6.027 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.030 25.583 -4.685 1.00 0.00 H new ATOM 0 HG21 VAL A 55 3.474 25.682 -2.806 1.00 0.00 H new ATOM 0 HG22 VAL A 55 1.851 25.167 -2.287 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.247 24.091 -2.041 1.00 0.00 H new ATOM 655 N ILE A 56 1.752 20.600 -3.546 1.00 0.00 N ATOM 656 CA ILE A 56 2.354 19.356 -3.067 1.00 0.00 C ATOM 657 C ILE A 56 3.276 18.740 -4.127 1.00 0.00 C ATOM 658 O ILE A 56 3.065 18.912 -5.329 1.00 0.00 O ATOM 659 CB ILE A 56 1.266 18.334 -2.650 1.00 0.00 C ATOM 660 CG1 ILE A 56 1.796 17.394 -1.557 1.00 0.00 C ATOM 661 CG2 ILE A 56 0.759 17.545 -3.854 1.00 0.00 C ATOM 662 CD1 ILE A 56 2.378 16.095 -2.080 1.00 0.00 C ATOM 0 H ILE A 56 0.835 20.482 -3.978 1.00 0.00 H new ATOM 0 HA ILE A 56 2.953 19.602 -2.191 1.00 0.00 H new ATOM 0 HB ILE A 56 0.422 18.889 -2.241 1.00 0.00 H new ATOM 0 HG12 ILE A 56 2.562 17.917 -0.984 1.00 0.00 H new ATOM 0 HG13 ILE A 56 0.984 17.163 -0.867 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -0.003 16.836 -3.530 1.00 0.00 H new ATOM 0 HG22 ILE A 56 0.329 18.231 -4.584 1.00 0.00 H new ATOM 0 HG23 ILE A 56 1.588 17.003 -4.309 1.00 0.00 H new ATOM 0 HD11 ILE A 56 2.729 15.491 -1.243 1.00 0.00 H new ATOM 0 HD12 ILE A 56 1.611 15.547 -2.627 1.00 0.00 H new ATOM 0 HD13 ILE A 56 3.213 16.312 -2.746 1.00 0.00 H new ATOM 674 N ARG A 57 4.302 18.024 -3.674 1.00 0.00 N ATOM 675 CA ARG A 57 5.254 17.387 -4.585 1.00 0.00 C ATOM 676 C ARG A 57 4.810 15.970 -4.955 1.00 0.00 C ATOM 677 O ARG A 57 4.521 15.150 -4.079 1.00 0.00 O ATOM 678 CB ARG A 57 6.651 17.351 -3.955 1.00 0.00 C ATOM 679 CG ARG A 57 7.532 18.524 -4.356 1.00 0.00 C ATOM 680 CD ARG A 57 7.306 19.725 -3.454 1.00 0.00 C ATOM 681 NE ARG A 57 8.010 19.594 -2.173 1.00 0.00 N ATOM 682 CZ ARG A 57 7.931 20.480 -1.185 1.00 0.00 C ATOM 683 NH1 ARG A 57 7.169 21.551 -1.304 1.00 0.00 N ATOM 684 NH2 ARG A 57 8.612 20.288 -0.074 1.00 0.00 N ATOM 0 H ARG A 57 4.497 17.870 -2.685 1.00 0.00 H new ATOM 0 HA ARG A 57 5.288 17.980 -5.499 1.00 0.00 H new ATOM 0 HB2 ARG A 57 6.550 17.338 -2.870 1.00 0.00 H new ATOM 0 HB3 ARG A 57 7.145 16.422 -4.241 1.00 0.00 H new ATOM 0 HG2 ARG A 57 8.579 18.226 -4.311 1.00 0.00 H new ATOM 0 HG3 ARG A 57 7.324 18.800 -5.390 1.00 0.00 H new ATOM 0 HD2 ARG A 57 7.644 20.628 -3.962 1.00 0.00 H new ATOM 0 HD3 ARG A 57 6.238 19.844 -3.270 1.00 0.00 H new ATOM 0 HE ARG A 57 8.597 18.772 -2.032 1.00 0.00 H new ATOM 0 HH11 ARG A 57 6.635 21.704 -2.159 1.00 0.00 H new ATOM 0 HH12 ARG A 57 7.114 22.225 -0.541 1.00 0.00 H new ATOM 0 HH21 ARG A 57 9.199 19.460 0.028 1.00 0.00 H new ATOM 0 HH22 ARG A 57 8.552 20.967 0.685 1.00 0.00 H new ATOM 698 N SER A 58 4.774 15.682 -6.255 1.00 0.00 N ATOM 699 CA SER A 58 4.379 14.359 -6.747 1.00 0.00 C ATOM 700 C SER A 58 5.326 13.284 -6.218 1.00 0.00 C ATOM 701 O SER A 58 4.922 12.418 -5.438 1.00 0.00 O ATOM 702 CB SER A 58 4.369 14.339 -8.279 1.00 0.00 C ATOM 703 OG SER A 58 5.614 14.788 -8.800 1.00 0.00 O ATOM 0 H SER A 58 5.014 16.348 -6.990 1.00 0.00 H new ATOM 0 HA SER A 58 3.373 14.147 -6.385 1.00 0.00 H new ATOM 0 HB2 SER A 58 4.166 13.328 -8.632 1.00 0.00 H new ATOM 0 HB3 SER A 58 3.565 14.974 -8.650 1.00 0.00 H new ATOM 0 HG SER A 58 5.586 14.765 -9.779 1.00 0.00 H new ATOM 709 N ILE A 59 6.593 13.357 -6.641 1.00 0.00 N ATOM 710 CA ILE A 59 7.614 12.401 -6.204 1.00 0.00 C ATOM 711 C ILE A 59 7.633 12.254 -4.678 1.00 0.00 C ATOM 712 O ILE A 59 7.953 11.184 -4.160 1.00 0.00 O ATOM 713 CB ILE A 59 9.024 12.807 -6.698 1.00 0.00 C ATOM 714 CG1 ILE A 59 10.036 11.697 -6.400 1.00 0.00 C ATOM 715 CG2 ILE A 59 9.469 14.117 -6.060 1.00 0.00 C ATOM 716 CD1 ILE A 59 10.899 11.330 -7.589 1.00 0.00 C ATOM 0 H ILE A 59 6.935 14.069 -7.286 1.00 0.00 H new ATOM 0 HA ILE A 59 7.349 11.441 -6.647 1.00 0.00 H new ATOM 0 HB ILE A 59 8.975 12.954 -7.777 1.00 0.00 H new ATOM 0 HG12 ILE A 59 10.679 12.014 -5.579 1.00 0.00 H new ATOM 0 HG13 ILE A 59 9.501 10.810 -6.062 1.00 0.00 H new ATOM 0 HG21 ILE A 59 10.462 14.380 -6.424 1.00 0.00 H new ATOM 0 HG22 ILE A 59 8.766 14.907 -6.323 1.00 0.00 H new ATOM 0 HG23 ILE A 59 9.498 14.003 -4.976 1.00 0.00 H new ATOM 0 HD11 ILE A 59 11.592 10.538 -7.305 1.00 0.00 H new ATOM 0 HD12 ILE A 59 10.265 10.983 -8.405 1.00 0.00 H new ATOM 0 HD13 ILE A 59 11.462 12.205 -7.914 1.00 0.00 H new ATOM 728 N PHE A 60 7.270 13.329 -3.967 1.00 0.00 N ATOM 729 CA PHE A 60 7.228 13.313 -2.503 1.00 0.00 C ATOM 730 C PHE A 60 6.473 12.086 -1.991 1.00 0.00 C ATOM 731 O PHE A 60 6.896 11.451 -1.022 1.00 0.00 O ATOM 732 CB PHE A 60 6.566 14.592 -1.979 1.00 0.00 C ATOM 733 CG PHE A 60 7.087 15.042 -0.644 1.00 0.00 C ATOM 734 CD1 PHE A 60 8.423 15.367 -0.479 1.00 0.00 C ATOM 735 CD2 PHE A 60 6.237 15.144 0.447 1.00 0.00 C ATOM 736 CE1 PHE A 60 8.903 15.784 0.748 1.00 0.00 C ATOM 737 CE2 PHE A 60 6.712 15.559 1.676 1.00 0.00 C ATOM 738 CZ PHE A 60 8.046 15.880 1.826 1.00 0.00 C ATOM 0 H PHE A 60 7.001 14.220 -4.384 1.00 0.00 H new ATOM 0 HA PHE A 60 8.253 13.264 -2.134 1.00 0.00 H new ATOM 0 HB2 PHE A 60 6.716 15.391 -2.705 1.00 0.00 H new ATOM 0 HB3 PHE A 60 5.491 14.428 -1.903 1.00 0.00 H new ATOM 0 HD1 PHE A 60 9.098 15.294 -1.319 1.00 0.00 H new ATOM 0 HD2 PHE A 60 5.192 14.896 0.335 1.00 0.00 H new ATOM 0 HE1 PHE A 60 9.947 16.034 0.863 1.00 0.00 H new ATOM 0 HE2 PHE A 60 6.040 15.632 2.519 1.00 0.00 H new ATOM 0 HZ PHE A 60 8.419 16.206 2.786 1.00 0.00 H new ATOM 748 N PHE A 61 5.366 11.744 -2.662 1.00 0.00 N ATOM 749 CA PHE A 61 4.566 10.575 -2.285 1.00 0.00 C ATOM 750 C PHE A 61 5.456 9.340 -2.144 1.00 0.00 C ATOM 751 O PHE A 61 5.225 8.498 -1.275 1.00 0.00 O ATOM 752 CB PHE A 61 3.466 10.319 -3.320 1.00 0.00 C ATOM 753 CG PHE A 61 2.287 9.563 -2.771 1.00 0.00 C ATOM 754 CD1 PHE A 61 2.404 8.226 -2.425 1.00 0.00 C ATOM 755 CD2 PHE A 61 1.065 10.190 -2.599 1.00 0.00 C ATOM 756 CE1 PHE A 61 1.323 7.529 -1.918 1.00 0.00 C ATOM 757 CE2 PHE A 61 -0.020 9.498 -2.094 1.00 0.00 C ATOM 758 CZ PHE A 61 0.110 8.165 -1.752 1.00 0.00 C ATOM 0 H PHE A 61 5.006 12.259 -3.466 1.00 0.00 H new ATOM 0 HA PHE A 61 4.097 10.778 -1.322 1.00 0.00 H new ATOM 0 HB2 PHE A 61 3.122 11.274 -3.716 1.00 0.00 H new ATOM 0 HB3 PHE A 61 3.888 9.761 -4.156 1.00 0.00 H new ATOM 0 HD1 PHE A 61 3.351 7.723 -2.553 1.00 0.00 H new ATOM 0 HD2 PHE A 61 0.958 11.232 -2.862 1.00 0.00 H new ATOM 0 HE1 PHE A 61 1.428 6.488 -1.652 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -0.969 9.999 -1.967 1.00 0.00 H new ATOM 0 HZ PHE A 61 -0.736 7.623 -1.356 1.00 0.00 H new ATOM 768 N GLY A 62 6.487 9.254 -2.993 1.00 0.00 N ATOM 769 CA GLY A 62 7.421 8.137 -2.944 1.00 0.00 C ATOM 770 C GLY A 62 7.866 7.820 -1.530 1.00 0.00 C ATOM 771 O GLY A 62 7.962 6.654 -1.158 1.00 0.00 O ATOM 0 H GLY A 62 6.690 9.944 -3.717 1.00 0.00 H new ATOM 0 HA2 GLY A 62 6.953 7.255 -3.381 1.00 0.00 H new ATOM 0 HA3 GLY A 62 8.294 8.369 -3.554 1.00 0.00 H new ATOM 775 N LEU A 63 8.113 8.857 -0.726 1.00 0.00 N ATOM 776 CA LEU A 63 8.521 8.656 0.662 1.00 0.00 C ATOM 777 C LEU A 63 7.515 7.754 1.380 1.00 0.00 C ATOM 778 O LEU A 63 7.902 6.811 2.079 1.00 0.00 O ATOM 779 CB LEU A 63 8.647 9.997 1.391 1.00 0.00 C ATOM 780 CG LEU A 63 9.343 9.930 2.752 1.00 0.00 C ATOM 781 CD1 LEU A 63 10.756 10.482 2.659 1.00 0.00 C ATOM 782 CD2 LEU A 63 8.547 10.688 3.799 1.00 0.00 C ATOM 0 H LEU A 63 8.038 9.834 -1.010 1.00 0.00 H new ATOM 0 HA LEU A 63 9.498 8.172 0.668 1.00 0.00 H new ATOM 0 HB2 LEU A 63 9.195 10.690 0.753 1.00 0.00 H new ATOM 0 HB3 LEU A 63 7.649 10.413 1.530 1.00 0.00 H new ATOM 0 HG LEU A 63 9.400 8.884 3.053 1.00 0.00 H new ATOM 0 HD11 LEU A 63 11.234 10.425 3.637 1.00 0.00 H new ATOM 0 HD12 LEU A 63 11.329 9.896 1.941 1.00 0.00 H new ATOM 0 HD13 LEU A 63 10.720 11.521 2.332 1.00 0.00 H new ATOM 0 HD21 LEU A 63 9.059 10.628 4.759 1.00 0.00 H new ATOM 0 HD22 LEU A 63 8.456 11.733 3.501 1.00 0.00 H new ATOM 0 HD23 LEU A 63 7.554 10.249 3.889 1.00 0.00 H new ATOM 794 N LEU A 64 6.223 8.032 1.172 1.00 0.00 N ATOM 795 CA LEU A 64 5.148 7.238 1.768 1.00 0.00 C ATOM 796 C LEU A 64 5.225 5.776 1.319 1.00 0.00 C ATOM 797 O LEU A 64 4.805 4.875 2.050 1.00 0.00 O ATOM 798 CB LEU A 64 3.781 7.826 1.392 1.00 0.00 C ATOM 799 CG LEU A 64 3.034 8.522 2.532 1.00 0.00 C ATOM 800 CD1 LEU A 64 2.384 9.802 2.040 1.00 0.00 C ATOM 801 CD2 LEU A 64 1.989 7.593 3.128 1.00 0.00 C ATOM 0 H LEU A 64 5.898 8.805 0.592 1.00 0.00 H new ATOM 0 HA LEU A 64 5.269 7.271 2.851 1.00 0.00 H new ATOM 0 HB2 LEU A 64 3.922 8.541 0.582 1.00 0.00 H new ATOM 0 HB3 LEU A 64 3.153 7.024 1.004 1.00 0.00 H new ATOM 0 HG LEU A 64 3.754 8.777 3.309 1.00 0.00 H new ATOM 0 HD11 LEU A 64 1.858 10.283 2.864 1.00 0.00 H new ATOM 0 HD12 LEU A 64 3.151 10.475 1.657 1.00 0.00 H new ATOM 0 HD13 LEU A 64 1.676 9.568 1.245 1.00 0.00 H new ATOM 0 HD21 LEU A 64 1.467 8.104 3.937 1.00 0.00 H new ATOM 0 HD22 LEU A 64 1.273 7.309 2.357 1.00 0.00 H new ATOM 0 HD23 LEU A 64 2.476 6.699 3.518 1.00 0.00 H new ATOM 813 N ILE A 65 5.776 5.542 0.125 1.00 0.00 N ATOM 814 CA ILE A 65 5.915 4.187 -0.401 1.00 0.00 C ATOM 815 C ILE A 65 6.849 3.349 0.479 1.00 0.00 C ATOM 816 O ILE A 65 6.706 2.131 0.546 1.00 0.00 O ATOM 817 CB ILE A 65 6.420 4.189 -1.870 1.00 0.00 C ATOM 818 CG1 ILE A 65 5.245 4.362 -2.834 1.00 0.00 C ATOM 819 CG2 ILE A 65 7.178 2.910 -2.202 1.00 0.00 C ATOM 820 CD1 ILE A 65 4.836 5.804 -3.047 1.00 0.00 C ATOM 0 H ILE A 65 6.131 6.273 -0.492 1.00 0.00 H new ATOM 0 HA ILE A 65 4.923 3.735 -0.388 1.00 0.00 H new ATOM 0 HB ILE A 65 7.107 5.028 -1.982 1.00 0.00 H new ATOM 0 HG12 ILE A 65 5.509 3.923 -3.796 1.00 0.00 H new ATOM 0 HG13 ILE A 65 4.390 3.804 -2.453 1.00 0.00 H new ATOM 0 HG21 ILE A 65 7.517 2.946 -3.237 1.00 0.00 H new ATOM 0 HG22 ILE A 65 8.040 2.816 -1.541 1.00 0.00 H new ATOM 0 HG23 ILE A 65 6.521 2.051 -2.065 1.00 0.00 H new ATOM 0 HD11 ILE A 65 3.998 5.845 -3.742 1.00 0.00 H new ATOM 0 HD12 ILE A 65 4.539 6.243 -2.094 1.00 0.00 H new ATOM 0 HD13 ILE A 65 5.676 6.364 -3.458 1.00 0.00 H new ATOM 832 N THR A 66 7.793 4.000 1.170 1.00 0.00 N ATOM 833 CA THR A 66 8.717 3.277 2.051 1.00 0.00 C ATOM 834 C THR A 66 7.937 2.529 3.142 1.00 0.00 C ATOM 835 O THR A 66 7.938 1.291 3.176 1.00 0.00 O ATOM 836 CB THR A 66 9.752 4.222 2.682 1.00 0.00 C ATOM 837 OG1 THR A 66 9.876 5.420 1.935 1.00 0.00 O ATOM 838 CG2 THR A 66 11.132 3.613 2.777 1.00 0.00 C ATOM 0 H THR A 66 7.936 5.009 1.138 1.00 0.00 H new ATOM 0 HA THR A 66 9.259 2.553 1.443 1.00 0.00 H new ATOM 0 HB THR A 66 9.377 4.420 3.686 1.00 0.00 H new ATOM 0 HG1 THR A 66 9.307 6.113 2.331 1.00 0.00 H new ATOM 0 HG21 THR A 66 11.816 4.330 3.231 1.00 0.00 H new ATOM 0 HG22 THR A 66 11.091 2.713 3.390 1.00 0.00 H new ATOM 0 HG23 THR A 66 11.486 3.356 1.779 1.00 0.00 H new ATOM 846 N PRO A 67 7.227 3.261 4.032 1.00 0.00 N ATOM 847 CA PRO A 67 6.425 2.637 5.088 1.00 0.00 C ATOM 848 C PRO A 67 5.317 1.768 4.497 1.00 0.00 C ATOM 849 O PRO A 67 5.074 0.654 4.967 1.00 0.00 O ATOM 850 CB PRO A 67 5.840 3.824 5.863 1.00 0.00 C ATOM 851 CG PRO A 67 5.915 4.976 4.923 1.00 0.00 C ATOM 852 CD PRO A 67 7.123 4.733 4.063 1.00 0.00 C ATOM 0 HA PRO A 67 7.014 1.974 5.721 1.00 0.00 H new ATOM 0 HB2 PRO A 67 4.811 3.629 6.166 1.00 0.00 H new ATOM 0 HB3 PRO A 67 6.408 4.020 6.772 1.00 0.00 H new ATOM 0 HG2 PRO A 67 5.012 5.044 4.316 1.00 0.00 H new ATOM 0 HG3 PRO A 67 6.006 5.917 5.466 1.00 0.00 H new ATOM 0 HD2 PRO A 67 6.995 5.148 3.063 1.00 0.00 H new ATOM 0 HD3 PRO A 67 8.017 5.191 4.487 1.00 0.00 H new ATOM 860 N TRP A 68 4.664 2.275 3.444 1.00 0.00 N ATOM 861 CA TRP A 68 3.599 1.533 2.772 1.00 0.00 C ATOM 862 C TRP A 68 4.115 0.183 2.279 1.00 0.00 C ATOM 863 O TRP A 68 3.446 -0.835 2.435 1.00 0.00 O ATOM 864 CB TRP A 68 3.028 2.337 1.600 1.00 0.00 C ATOM 865 CG TRP A 68 1.550 2.160 1.442 1.00 0.00 C ATOM 866 CD1 TRP A 68 0.902 1.060 0.958 1.00 0.00 C ATOM 867 CD2 TRP A 68 0.535 3.111 1.776 1.00 0.00 C ATOM 868 NE1 TRP A 68 -0.458 1.270 0.972 1.00 0.00 N ATOM 869 CE2 TRP A 68 -0.706 2.523 1.470 1.00 0.00 C ATOM 870 CE3 TRP A 68 0.557 4.403 2.305 1.00 0.00 C ATOM 871 CZ2 TRP A 68 -1.913 3.183 1.678 1.00 0.00 C ATOM 872 CZ3 TRP A 68 -0.642 5.059 2.511 1.00 0.00 C ATOM 873 CH2 TRP A 68 -1.861 4.449 2.197 1.00 0.00 C ATOM 0 H TRP A 68 4.856 3.193 3.043 1.00 0.00 H new ATOM 0 HA TRP A 68 2.801 1.362 3.495 1.00 0.00 H new ATOM 0 HB2 TRP A 68 3.249 3.394 1.748 1.00 0.00 H new ATOM 0 HB3 TRP A 68 3.526 2.033 0.679 1.00 0.00 H new ATOM 0 HD1 TRP A 68 1.386 0.158 0.615 1.00 0.00 H new ATOM 0 HE1 TRP A 68 -1.165 0.603 0.663 1.00 0.00 H new ATOM 0 HE3 TRP A 68 1.494 4.881 2.549 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 -2.856 2.714 1.439 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 -0.638 6.058 2.921 1.00 0.00 H new ATOM 0 HH2 TRP A 68 -2.781 4.988 2.368 1.00 0.00 H new ATOM 884 N ALA A 69 5.318 0.181 1.702 1.00 0.00 N ATOM 885 CA ALA A 69 5.932 -1.049 1.209 1.00 0.00 C ATOM 886 C ALA A 69 6.192 -2.010 2.366 1.00 0.00 C ATOM 887 O ALA A 69 5.825 -3.181 2.299 1.00 0.00 O ATOM 888 CB ALA A 69 7.225 -0.740 0.465 1.00 0.00 C ATOM 0 H ALA A 69 5.885 1.018 1.566 1.00 0.00 H new ATOM 0 HA ALA A 69 5.244 -1.526 0.511 1.00 0.00 H new ATOM 0 HB1 ALA A 69 7.668 -1.668 0.105 1.00 0.00 H new ATOM 0 HB2 ALA A 69 7.011 -0.088 -0.382 1.00 0.00 H new ATOM 0 HB3 ALA A 69 7.922 -0.242 1.139 1.00 0.00 H new ATOM 894 N VAL A 70 6.809 -1.499 3.435 1.00 0.00 N ATOM 895 CA VAL A 70 7.096 -2.314 4.618 1.00 0.00 C ATOM 896 C VAL A 70 5.807 -2.905 5.199 1.00 0.00 C ATOM 897 O VAL A 70 5.742 -4.099 5.517 1.00 0.00 O ATOM 898 CB VAL A 70 7.819 -1.488 5.708 1.00 0.00 C ATOM 899 CG1 VAL A 70 7.965 -2.293 6.991 1.00 0.00 C ATOM 900 CG2 VAL A 70 9.181 -1.026 5.214 1.00 0.00 C ATOM 0 H VAL A 70 7.118 -0.529 3.505 1.00 0.00 H new ATOM 0 HA VAL A 70 7.752 -3.125 4.300 1.00 0.00 H new ATOM 0 HB VAL A 70 7.212 -0.609 5.924 1.00 0.00 H new ATOM 0 HG11 VAL A 70 8.476 -1.691 7.742 1.00 0.00 H new ATOM 0 HG12 VAL A 70 6.978 -2.572 7.360 1.00 0.00 H new ATOM 0 HG13 VAL A 70 8.546 -3.194 6.791 1.00 0.00 H new ATOM 0 HG21 VAL A 70 9.674 -0.447 5.995 1.00 0.00 H new ATOM 0 HG22 VAL A 70 9.792 -1.894 4.966 1.00 0.00 H new ATOM 0 HG23 VAL A 70 9.055 -0.406 4.327 1.00 0.00 H new ATOM 910 N TYR A 71 4.781 -2.063 5.331 1.00 0.00 N ATOM 911 CA TYR A 71 3.487 -2.492 5.865 1.00 0.00 C ATOM 912 C TYR A 71 2.814 -3.496 4.923 1.00 0.00 C ATOM 913 O TYR A 71 2.437 -4.592 5.340 1.00 0.00 O ATOM 914 CB TYR A 71 2.575 -1.280 6.082 1.00 0.00 C ATOM 915 CG TYR A 71 2.723 -0.637 7.444 1.00 0.00 C ATOM 916 CD1 TYR A 71 3.842 0.124 7.757 1.00 0.00 C ATOM 917 CD2 TYR A 71 1.742 -0.788 8.416 1.00 0.00 C ATOM 918 CE1 TYR A 71 3.978 0.717 8.998 1.00 0.00 C ATOM 919 CE2 TYR A 71 1.872 -0.199 9.659 1.00 0.00 C ATOM 920 CZ TYR A 71 2.991 0.553 9.945 1.00 0.00 C ATOM 921 OH TYR A 71 3.122 1.144 11.179 1.00 0.00 O ATOM 0 H TYR A 71 4.821 -1.077 5.075 1.00 0.00 H new ATOM 0 HA TYR A 71 3.659 -2.982 6.823 1.00 0.00 H new ATOM 0 HB2 TYR A 71 2.788 -0.536 5.315 1.00 0.00 H new ATOM 0 HB3 TYR A 71 1.538 -1.589 5.948 1.00 0.00 H new ATOM 0 HD1 TYR A 71 4.619 0.255 7.018 1.00 0.00 H new ATOM 0 HD2 TYR A 71 0.863 -1.376 8.196 1.00 0.00 H new ATOM 0 HE1 TYR A 71 4.854 1.306 9.224 1.00 0.00 H new ATOM 0 HE2 TYR A 71 1.100 -0.327 10.403 1.00 0.00 H new ATOM 0 HH TYR A 71 2.339 0.931 11.729 1.00 0.00 H new ATOM 931 N PHE A 72 2.675 -3.113 3.650 1.00 0.00 N ATOM 932 CA PHE A 72 2.055 -3.977 2.642 1.00 0.00 C ATOM 933 C PHE A 72 2.788 -5.314 2.546 1.00 0.00 C ATOM 934 O PHE A 72 2.160 -6.367 2.527 1.00 0.00 O ATOM 935 CB PHE A 72 2.037 -3.285 1.274 1.00 0.00 C ATOM 936 CG PHE A 72 0.797 -3.565 0.472 1.00 0.00 C ATOM 937 CD1 PHE A 72 0.518 -4.847 0.024 1.00 0.00 C ATOM 938 CD2 PHE A 72 -0.089 -2.545 0.162 1.00 0.00 C ATOM 939 CE1 PHE A 72 -0.622 -5.106 -0.716 1.00 0.00 C ATOM 940 CE2 PHE A 72 -1.228 -2.798 -0.579 1.00 0.00 C ATOM 941 CZ PHE A 72 -1.495 -4.080 -1.019 1.00 0.00 C ATOM 0 H PHE A 72 2.984 -2.209 3.293 1.00 0.00 H new ATOM 0 HA PHE A 72 1.027 -4.168 2.950 1.00 0.00 H new ATOM 0 HB2 PHE A 72 2.129 -2.209 1.420 1.00 0.00 H new ATOM 0 HB3 PHE A 72 2.908 -3.605 0.703 1.00 0.00 H new ATOM 0 HD1 PHE A 72 1.199 -5.653 0.255 1.00 0.00 H new ATOM 0 HD2 PHE A 72 0.113 -1.541 0.504 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -0.829 -6.110 -1.056 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -1.909 -1.994 -0.814 1.00 0.00 H new ATOM 0 HZ PHE A 72 -2.384 -4.279 -1.599 1.00 0.00 H new ATOM 951 N LEU A 73 4.122 -5.262 2.503 1.00 0.00 N ATOM 952 CA LEU A 73 4.938 -6.474 2.432 1.00 0.00 C ATOM 953 C LEU A 73 4.648 -7.366 3.634 1.00 0.00 C ATOM 954 O LEU A 73 4.337 -8.549 3.483 1.00 0.00 O ATOM 955 CB LEU A 73 6.428 -6.116 2.383 1.00 0.00 C ATOM 956 CG LEU A 73 7.327 -7.146 1.699 1.00 0.00 C ATOM 957 CD1 LEU A 73 8.619 -6.497 1.237 1.00 0.00 C ATOM 958 CD2 LEU A 73 7.620 -8.305 2.637 1.00 0.00 C ATOM 0 H LEU A 73 4.658 -4.394 2.516 1.00 0.00 H new ATOM 0 HA LEU A 73 4.684 -7.014 1.520 1.00 0.00 H new ATOM 0 HB2 LEU A 73 6.539 -5.162 1.867 1.00 0.00 H new ATOM 0 HB3 LEU A 73 6.783 -5.969 3.403 1.00 0.00 H new ATOM 0 HG LEU A 73 6.803 -7.535 0.826 1.00 0.00 H new ATOM 0 HD11 LEU A 73 9.248 -7.244 0.752 1.00 0.00 H new ATOM 0 HD12 LEU A 73 8.393 -5.699 0.530 1.00 0.00 H new ATOM 0 HD13 LEU A 73 9.145 -6.082 2.097 1.00 0.00 H new ATOM 0 HD21 LEU A 73 8.261 -9.028 2.133 1.00 0.00 H new ATOM 0 HD22 LEU A 73 8.124 -7.933 3.529 1.00 0.00 H new ATOM 0 HD23 LEU A 73 6.685 -8.787 2.923 1.00 0.00 H new ATOM 970 N SER A 74 4.719 -6.775 4.831 1.00 0.00 N ATOM 971 CA SER A 74 4.430 -7.502 6.067 1.00 0.00 C ATOM 972 C SER A 74 3.034 -8.116 5.985 1.00 0.00 C ATOM 973 O SER A 74 2.845 -9.306 6.252 1.00 0.00 O ATOM 974 CB SER A 74 4.526 -6.561 7.274 1.00 0.00 C ATOM 975 OG SER A 74 5.759 -5.853 7.278 1.00 0.00 O ATOM 0 H SER A 74 4.974 -5.797 4.968 1.00 0.00 H new ATOM 0 HA SER A 74 5.164 -8.298 6.192 1.00 0.00 H new ATOM 0 HB2 SER A 74 3.697 -5.853 7.253 1.00 0.00 H new ATOM 0 HB3 SER A 74 4.431 -7.136 8.195 1.00 0.00 H new ATOM 0 HG SER A 74 5.606 -4.929 6.991 1.00 0.00 H new ATOM 981 N VAL A 75 2.066 -7.292 5.573 1.00 0.00 N ATOM 982 CA VAL A 75 0.687 -7.735 5.408 1.00 0.00 C ATOM 983 C VAL A 75 0.630 -8.921 4.445 1.00 0.00 C ATOM 984 O VAL A 75 0.018 -9.937 4.746 1.00 0.00 O ATOM 985 CB VAL A 75 -0.211 -6.584 4.885 1.00 0.00 C ATOM 986 CG1 VAL A 75 -1.365 -7.106 4.037 1.00 0.00 C ATOM 987 CG2 VAL A 75 -0.739 -5.755 6.046 1.00 0.00 C ATOM 0 H VAL A 75 2.218 -6.309 5.347 1.00 0.00 H new ATOM 0 HA VAL A 75 0.311 -8.044 6.383 1.00 0.00 H new ATOM 0 HB VAL A 75 0.405 -5.951 4.247 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -1.970 -6.268 3.690 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -0.969 -7.648 3.178 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -1.982 -7.776 4.635 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -1.368 -4.951 5.663 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -1.326 -6.390 6.709 1.00 0.00 H new ATOM 0 HG23 VAL A 75 0.098 -5.329 6.599 1.00 0.00 H new ATOM 997 N VAL A 76 1.293 -8.784 3.295 1.00 0.00 N ATOM 998 CA VAL A 76 1.337 -9.848 2.290 1.00 0.00 C ATOM 999 C VAL A 76 1.914 -11.133 2.887 1.00 0.00 C ATOM 1000 O VAL A 76 1.368 -12.220 2.681 1.00 0.00 O ATOM 1001 CB VAL A 76 2.177 -9.429 1.062 1.00 0.00 C ATOM 1002 CG1 VAL A 76 2.392 -10.606 0.121 1.00 0.00 C ATOM 1003 CG2 VAL A 76 1.512 -8.274 0.328 1.00 0.00 C ATOM 0 H VAL A 76 1.809 -7.943 3.036 1.00 0.00 H new ATOM 0 HA VAL A 76 0.312 -10.030 1.965 1.00 0.00 H new ATOM 0 HB VAL A 76 3.152 -9.098 1.418 1.00 0.00 H new ATOM 0 HG11 VAL A 76 2.986 -10.284 -0.735 1.00 0.00 H new ATOM 0 HG12 VAL A 76 2.917 -11.402 0.648 1.00 0.00 H new ATOM 0 HG13 VAL A 76 1.427 -10.976 -0.226 1.00 0.00 H new ATOM 0 HG21 VAL A 76 2.118 -7.993 -0.533 1.00 0.00 H new ATOM 0 HG22 VAL A 76 0.521 -8.579 -0.009 1.00 0.00 H new ATOM 0 HG23 VAL A 76 1.419 -7.421 1.000 1.00 0.00 H new ATOM 1013 N VAL A 77 3.012 -10.997 3.636 1.00 0.00 N ATOM 1014 CA VAL A 77 3.652 -12.146 4.277 1.00 0.00 C ATOM 1015 C VAL A 77 2.660 -12.874 5.184 1.00 0.00 C ATOM 1016 O VAL A 77 2.580 -14.102 5.174 1.00 0.00 O ATOM 1017 CB VAL A 77 4.886 -11.721 5.105 1.00 0.00 C ATOM 1018 CG1 VAL A 77 5.491 -12.916 5.827 1.00 0.00 C ATOM 1019 CG2 VAL A 77 5.927 -11.056 4.216 1.00 0.00 C ATOM 0 H VAL A 77 3.474 -10.105 3.812 1.00 0.00 H new ATOM 0 HA VAL A 77 3.983 -12.817 3.484 1.00 0.00 H new ATOM 0 HB VAL A 77 4.558 -10.999 5.853 1.00 0.00 H new ATOM 0 HG11 VAL A 77 6.358 -12.592 6.403 1.00 0.00 H new ATOM 0 HG12 VAL A 77 4.750 -13.349 6.499 1.00 0.00 H new ATOM 0 HG13 VAL A 77 5.799 -13.664 5.097 1.00 0.00 H new ATOM 0 HG21 VAL A 77 6.787 -10.765 4.819 1.00 0.00 H new ATOM 0 HG22 VAL A 77 6.246 -11.755 3.443 1.00 0.00 H new ATOM 0 HG23 VAL A 77 5.495 -10.171 3.749 1.00 0.00 H new ATOM 1029 N GLU A 78 1.894 -12.104 5.957 1.00 0.00 N ATOM 1030 CA GLU A 78 0.892 -12.669 6.859 1.00 0.00 C ATOM 1031 C GLU A 78 -0.389 -13.034 6.092 1.00 0.00 C ATOM 1032 O GLU A 78 -1.015 -14.062 6.356 1.00 0.00 O ATOM 1033 CB GLU A 78 0.576 -11.676 7.981 1.00 0.00 C ATOM 1034 CG GLU A 78 0.583 -12.299 9.371 1.00 0.00 C ATOM 1035 CD GLU A 78 0.354 -11.284 10.474 1.00 0.00 C ATOM 1036 OE1 GLU A 78 -0.635 -10.526 10.386 1.00 0.00 O ATOM 1037 OE2 GLU A 78 1.161 -11.249 11.424 1.00 0.00 O ATOM 0 H GLU A 78 1.949 -11.086 5.976 1.00 0.00 H new ATOM 0 HA GLU A 78 1.297 -13.581 7.297 1.00 0.00 H new ATOM 0 HB2 GLU A 78 1.304 -10.865 7.952 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -0.402 -11.232 7.796 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -0.190 -13.066 9.424 1.00 0.00 H new ATOM 0 HG3 GLU A 78 1.538 -12.797 9.535 1.00 0.00 H new ATOM 1044 N GLN A 79 -0.768 -12.180 5.140 1.00 0.00 N ATOM 1045 CA GLN A 79 -1.961 -12.388 4.323 1.00 0.00 C ATOM 1046 C GLN A 79 -1.687 -13.375 3.181 1.00 0.00 C ATOM 1047 O GLN A 79 -1.709 -13.007 2.003 1.00 0.00 O ATOM 1048 CB GLN A 79 -2.448 -11.047 3.757 1.00 0.00 C ATOM 1049 CG GLN A 79 -3.906 -11.060 3.316 1.00 0.00 C ATOM 1050 CD GLN A 79 -4.562 -9.694 3.407 1.00 0.00 C ATOM 1051 OE1 GLN A 79 -4.037 -8.704 2.900 1.00 0.00 O ATOM 1052 NE2 GLN A 79 -5.716 -9.631 4.057 1.00 0.00 N ATOM 0 H GLN A 79 -0.257 -11.327 4.915 1.00 0.00 H new ATOM 0 HA GLN A 79 -2.738 -12.815 4.958 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -2.314 -10.274 4.513 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -1.823 -10.774 2.907 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -3.967 -11.419 2.289 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -4.461 -11.766 3.934 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -6.119 -10.475 4.464 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -6.201 -8.738 4.150 1.00 0.00 H new ATOM 1061 N LEU A 80 -1.437 -14.634 3.533 1.00 0.00 N ATOM 1062 CA LEU A 80 -1.169 -15.667 2.532 1.00 0.00 C ATOM 1063 C LEU A 80 -2.454 -16.033 1.780 1.00 0.00 C ATOM 1064 O LEU A 80 -3.035 -17.102 1.995 1.00 0.00 O ATOM 1065 CB LEU A 80 -0.558 -16.909 3.193 1.00 0.00 C ATOM 1066 CG LEU A 80 0.399 -17.710 2.306 1.00 0.00 C ATOM 1067 CD1 LEU A 80 1.319 -18.570 3.157 1.00 0.00 C ATOM 1068 CD2 LEU A 80 -0.376 -18.575 1.326 1.00 0.00 C ATOM 0 H LEU A 80 -1.414 -14.964 4.498 1.00 0.00 H new ATOM 0 HA LEU A 80 -0.451 -15.273 1.813 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.023 -16.598 4.091 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -1.366 -17.566 3.515 1.00 0.00 H new ATOM 0 HG LEU A 80 1.008 -17.007 1.738 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.992 -19.133 2.510 1.00 0.00 H new ATOM 0 HD12 LEU A 80 1.902 -17.932 3.821 1.00 0.00 H new ATOM 0 HD13 LEU A 80 0.723 -19.263 3.751 1.00 0.00 H new ATOM 0 HD21 LEU A 80 0.322 -19.136 0.705 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -1.011 -19.269 1.877 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -0.996 -17.941 0.693 1.00 0.00 H new ATOM 1080 N GLU A 81 -2.899 -15.123 0.906 1.00 0.00 N ATOM 1081 CA GLU A 81 -4.120 -15.313 0.115 1.00 0.00 C ATOM 1082 C GLU A 81 -5.373 -15.236 0.991 1.00 0.00 C ATOM 1083 O GLU A 81 -6.238 -14.380 0.779 1.00 0.00 O ATOM 1084 CB GLU A 81 -4.078 -16.654 -0.630 1.00 0.00 C ATOM 1085 CG GLU A 81 -4.523 -16.553 -2.083 1.00 0.00 C ATOM 1086 CD GLU A 81 -5.324 -17.757 -2.536 1.00 0.00 C ATOM 1087 OE1 GLU A 81 -6.519 -17.843 -2.184 1.00 0.00 O ATOM 1088 OE2 GLU A 81 -4.755 -18.610 -3.247 1.00 0.00 O ATOM 0 H GLU A 81 -2.425 -14.238 0.728 1.00 0.00 H new ATOM 0 HA GLU A 81 -4.168 -14.504 -0.614 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -3.063 -17.049 -0.595 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -4.716 -17.370 -0.111 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -5.124 -15.653 -2.213 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -3.645 -16.445 -2.720 1.00 0.00 H new ATOM 1095 N GLU A 82 -5.459 -16.134 1.974 1.00 0.00 N ATOM 1096 CA GLU A 82 -6.596 -16.190 2.899 1.00 0.00 C ATOM 1097 C GLU A 82 -7.863 -16.692 2.202 1.00 0.00 C ATOM 1098 O GLU A 82 -8.406 -17.737 2.567 1.00 0.00 O ATOM 1099 CB GLU A 82 -6.841 -14.820 3.543 1.00 0.00 C ATOM 1100 CG GLU A 82 -6.809 -14.855 5.067 1.00 0.00 C ATOM 1101 CD GLU A 82 -7.998 -14.165 5.712 1.00 0.00 C ATOM 1102 OE1 GLU A 82 -9.116 -14.245 5.157 1.00 0.00 O ATOM 1103 OE2 GLU A 82 -7.810 -13.552 6.782 1.00 0.00 O ATOM 0 H GLU A 82 -4.746 -16.841 2.152 1.00 0.00 H new ATOM 0 HA GLU A 82 -6.345 -16.902 3.685 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -6.086 -14.119 3.187 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -7.809 -14.440 3.216 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -6.777 -15.893 5.398 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -5.891 -14.381 5.415 1.00 0.00 H new ATOM 1110 N SER A 83 -8.327 -15.953 1.192 1.00 0.00 N ATOM 1111 CA SER A 83 -9.523 -16.340 0.442 1.00 0.00 C ATOM 1112 C SER A 83 -9.803 -15.380 -0.718 1.00 0.00 C ATOM 1113 O SER A 83 -9.056 -14.426 -0.953 1.00 0.00 O ATOM 1114 CB SER A 83 -10.742 -16.411 1.364 1.00 0.00 C ATOM 1115 OG SER A 83 -11.848 -17.005 0.699 1.00 0.00 O ATOM 0 H SER A 83 -7.894 -15.086 0.875 1.00 0.00 H new ATOM 0 HA SER A 83 -9.333 -17.328 0.024 1.00 0.00 H new ATOM 0 HB2 SER A 83 -10.496 -16.988 2.255 1.00 0.00 H new ATOM 0 HB3 SER A 83 -11.009 -15.408 1.698 1.00 0.00 H new ATOM 0 HG SER A 83 -12.615 -17.041 1.308 1.00 0.00 H new ATOM 1121 N ARG A 84 -10.890 -15.643 -1.443 1.00 0.00 N ATOM 1122 CA ARG A 84 -11.275 -14.814 -2.585 1.00 0.00 C ATOM 1123 C ARG A 84 -11.936 -13.503 -2.138 1.00 0.00 C ATOM 1124 O ARG A 84 -13.155 -13.344 -2.228 1.00 0.00 O ATOM 1125 CB ARG A 84 -12.206 -15.601 -3.513 1.00 0.00 C ATOM 1126 CG ARG A 84 -11.899 -15.408 -4.990 1.00 0.00 C ATOM 1127 CD ARG A 84 -13.159 -15.505 -5.834 1.00 0.00 C ATOM 1128 NE ARG A 84 -13.972 -14.288 -5.741 1.00 0.00 N ATOM 1129 CZ ARG A 84 -13.727 -13.169 -6.412 1.00 0.00 C ATOM 1130 NH1 ARG A 84 -12.680 -13.080 -7.212 1.00 0.00 N ATOM 1131 NH2 ARG A 84 -14.528 -12.131 -6.271 1.00 0.00 N ATOM 0 H ARG A 84 -11.520 -16.424 -1.260 1.00 0.00 H new ATOM 0 HA ARG A 84 -10.369 -14.550 -3.130 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -12.135 -16.661 -3.271 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -13.236 -15.299 -3.322 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -11.431 -14.435 -5.142 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -11.182 -16.161 -5.316 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -12.887 -15.682 -6.875 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -13.749 -16.362 -5.509 1.00 0.00 H new ATOM 0 HE ARG A 84 -14.780 -14.302 -5.119 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -12.051 -13.876 -7.319 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -12.501 -12.216 -7.723 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -15.333 -12.189 -5.648 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -14.342 -11.270 -6.785 1.00 0.00 H new ATOM 1145 N GLN A 85 -11.112 -12.565 -1.664 1.00 0.00 N ATOM 1146 CA GLN A 85 -11.591 -11.256 -1.208 1.00 0.00 C ATOM 1147 C GLN A 85 -12.485 -11.392 0.032 1.00 0.00 C ATOM 1148 O GLN A 85 -13.652 -10.993 0.022 1.00 0.00 O ATOM 1149 CB GLN A 85 -12.344 -10.548 -2.344 1.00 0.00 C ATOM 1150 CG GLN A 85 -12.686 -9.094 -2.048 1.00 0.00 C ATOM 1151 CD GLN A 85 -14.139 -8.764 -2.333 1.00 0.00 C ATOM 1152 OE1 GLN A 85 -14.446 -8.005 -3.249 1.00 0.00 O ATOM 1153 NE2 GLN A 85 -15.043 -9.334 -1.552 1.00 0.00 N ATOM 0 H GLN A 85 -10.103 -12.689 -1.585 1.00 0.00 H new ATOM 0 HA GLN A 85 -10.727 -10.654 -0.927 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -11.739 -10.591 -3.250 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -13.265 -11.093 -2.550 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -12.468 -8.879 -1.002 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -12.046 -8.446 -2.647 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -14.748 -9.959 -0.802 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -16.035 -9.149 -1.701 1.00 0.00 H new ATOM 1162 N ARG A 86 -11.924 -11.963 1.101 1.00 0.00 N ATOM 1163 CA ARG A 86 -12.666 -12.161 2.349 1.00 0.00 C ATOM 1164 C ARG A 86 -12.556 -10.943 3.274 1.00 0.00 C ATOM 1165 O ARG A 86 -13.567 -10.336 3.628 1.00 0.00 O ATOM 1166 CB ARG A 86 -12.168 -13.422 3.063 1.00 0.00 C ATOM 1167 CG ARG A 86 -12.999 -13.806 4.278 1.00 0.00 C ATOM 1168 CD ARG A 86 -12.154 -13.837 5.540 1.00 0.00 C ATOM 1169 NE ARG A 86 -12.963 -14.108 6.732 1.00 0.00 N ATOM 1170 CZ ARG A 86 -13.386 -15.313 7.093 1.00 0.00 C ATOM 1171 NH1 ARG A 86 -13.089 -16.374 6.367 1.00 0.00 N ATOM 1172 NH2 ARG A 86 -14.110 -15.455 8.186 1.00 0.00 N ATOM 0 H ARG A 86 -10.960 -12.296 1.128 1.00 0.00 H new ATOM 0 HA ARG A 86 -13.719 -12.285 2.095 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -12.168 -14.252 2.357 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -11.135 -13.268 3.374 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -13.815 -13.094 4.402 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -13.451 -14.785 4.117 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -11.383 -14.602 5.442 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -11.642 -12.882 5.658 1.00 0.00 H new ATOM 0 HE ARG A 86 -13.218 -13.317 7.324 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -12.530 -16.272 5.520 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -13.419 -17.296 6.653 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -14.344 -14.640 8.752 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -14.436 -16.380 8.465 1.00 0.00 H new ATOM 1186 N LEU A 87 -11.331 -10.594 3.669 1.00 0.00 N ATOM 1187 CA LEU A 87 -11.109 -9.447 4.555 1.00 0.00 C ATOM 1188 C LEU A 87 -9.857 -8.660 4.152 1.00 0.00 C ATOM 1189 O LEU A 87 -8.975 -9.184 3.469 1.00 0.00 O ATOM 1190 CB LEU A 87 -11.000 -9.909 6.014 1.00 0.00 C ATOM 1191 CG LEU A 87 -9.961 -10.997 6.293 1.00 0.00 C ATOM 1192 CD1 LEU A 87 -8.588 -10.385 6.515 1.00 0.00 C ATOM 1193 CD2 LEU A 87 -10.372 -11.823 7.501 1.00 0.00 C ATOM 0 H LEU A 87 -10.481 -11.085 3.392 1.00 0.00 H new ATOM 0 HA LEU A 87 -11.968 -8.783 4.457 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -10.766 -9.043 6.633 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -11.976 -10.275 6.333 1.00 0.00 H new ATOM 0 HG LEU A 87 -9.908 -11.651 5.423 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -7.864 -11.176 6.712 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -8.288 -9.832 5.625 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -8.625 -9.707 7.368 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -9.623 -12.593 7.687 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -10.452 -11.176 8.374 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -11.336 -12.294 7.309 1.00 0.00 H new ATOM 1205 N SER A 88 -9.793 -7.401 4.581 1.00 0.00 N ATOM 1206 CA SER A 88 -8.656 -6.532 4.264 1.00 0.00 C ATOM 1207 C SER A 88 -7.536 -6.666 5.302 1.00 0.00 C ATOM 1208 O SER A 88 -7.618 -7.488 6.219 1.00 0.00 O ATOM 1209 CB SER A 88 -9.115 -5.073 4.171 1.00 0.00 C ATOM 1210 OG SER A 88 -8.863 -4.540 2.882 1.00 0.00 O ATOM 0 H SER A 88 -10.514 -6.958 5.150 1.00 0.00 H new ATOM 0 HA SER A 88 -8.257 -6.847 3.300 1.00 0.00 H new ATOM 0 HB2 SER A 88 -10.180 -5.009 4.393 1.00 0.00 H new ATOM 0 HB3 SER A 88 -8.597 -4.477 4.922 1.00 0.00 H new ATOM 0 HG SER A 88 -9.166 -3.609 2.848 1.00 0.00 H new ATOM 1216 N ARG A 89 -6.494 -5.852 5.148 1.00 0.00 N ATOM 1217 CA ARG A 89 -5.361 -5.873 6.068 1.00 0.00 C ATOM 1218 C ARG A 89 -4.784 -4.471 6.265 1.00 0.00 C ATOM 1219 O ARG A 89 -4.176 -3.934 5.314 1.00 0.00 O ATOM 1220 CB ARG A 89 -4.277 -6.823 5.548 1.00 0.00 C ATOM 1221 CG ARG A 89 -3.544 -7.566 6.652 1.00 0.00 C ATOM 1222 CD ARG A 89 -4.495 -8.408 7.484 1.00 0.00 C ATOM 1223 NE ARG A 89 -4.022 -9.787 7.618 1.00 0.00 N ATOM 1224 CZ ARG A 89 -3.030 -10.164 8.413 1.00 0.00 C ATOM 1225 NH1 ARG A 89 -2.378 -9.283 9.140 1.00 0.00 N ATOM 1226 NH2 ARG A 89 -2.682 -11.430 8.476 1.00 0.00 N ATOM 0 H ARG A 89 -6.412 -5.170 4.394 1.00 0.00 H new ATOM 0 HA ARG A 89 -5.716 -6.231 7.034 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -4.733 -7.548 4.873 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -3.555 -6.253 4.963 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -2.778 -8.206 6.214 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -3.032 -6.851 7.296 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -4.604 -7.963 8.473 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -5.482 -8.405 7.022 1.00 0.00 H new ATOM 0 HE ARG A 89 -4.486 -10.506 7.063 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -2.634 -8.296 9.096 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -1.617 -9.586 9.748 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -3.175 -12.123 7.913 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -1.919 -11.719 9.088 1.00 0.00 H new TER 1240 ARG A 89