USER MOD reduce.3.24.130724 H: found=0, std=0, add=408, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 410 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 15 MET CE :methyl -149:sc= 0 (180deg=-0.233) USER MOD Set 1.2: A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 29:sc= 0.0152 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= -0.0679 K(o=-0.068,f=-2.2!) USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.287 USER MOD Single : A 30 THR OG1 : rot 65:sc= 0.38 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.0337 USER MOD Single : A 39 ASN : amide:sc= -1.19 K(o=-1.2,f=-0.089) USER MOD Single : A 41 ASN : amide:sc= -0.133 X(o=-0.13,f=-0.36) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= -0.407 K(o=-0.41,f=-11!) USER MOD Single : A 52 ASN : amide:sc= 0.496 K(o=0.5,f=-2.4!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -1.43 K(o=-1.4,f=-5.2!) USER MOD Single : A 61 THR OG1 : rot -60:sc= 1.09 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 93 N THR A 10 1.313 12.621 -1.751 1.00 0.00 N ATOM 94 CA THR A 10 0.351 11.730 -1.116 1.00 0.00 C ATOM 95 C THR A 10 1.020 10.444 -0.645 1.00 0.00 C ATOM 96 O THR A 10 2.025 10.012 -1.209 1.00 0.00 O ATOM 97 CB THR A 10 -0.803 11.375 -2.073 1.00 0.00 C ATOM 98 OG1 THR A 10 -1.559 12.550 -2.387 1.00 0.00 O ATOM 99 CG2 THR A 10 -1.716 10.328 -1.454 1.00 0.00 C ATOM 0 HA THR A 10 -0.052 12.263 -0.255 1.00 0.00 H new ATOM 0 HB THR A 10 -0.374 10.965 -2.988 1.00 0.00 H new ATOM 0 HG1 THR A 10 -0.977 13.337 -2.335 1.00 0.00 H new ATOM 0 HG21 THR A 10 -2.523 10.093 -2.148 1.00 0.00 H new ATOM 0 HG22 THR A 10 -1.144 9.424 -1.244 1.00 0.00 H new ATOM 0 HG23 THR A 10 -2.136 10.715 -0.526 1.00 0.00 H new ATOM 107 N LYS A 11 0.456 9.835 0.393 1.00 0.00 N ATOM 108 CA LYS A 11 0.996 8.596 0.940 1.00 0.00 C ATOM 109 C LYS A 11 -0.121 7.601 1.238 1.00 0.00 C ATOM 110 O LYS A 11 -1.231 7.989 1.598 1.00 0.00 O ATOM 111 CB LYS A 11 1.793 8.882 2.214 1.00 0.00 C ATOM 112 CG LYS A 11 3.099 9.617 1.963 1.00 0.00 C ATOM 113 CD LYS A 11 4.038 9.507 3.152 1.00 0.00 C ATOM 114 CE LYS A 11 5.492 9.656 2.730 1.00 0.00 C ATOM 115 NZ LYS A 11 6.428 9.360 3.849 1.00 0.00 N ATOM 0 H LYS A 11 -0.376 10.180 0.872 1.00 0.00 H new ATOM 0 HA LYS A 11 1.660 8.157 0.195 1.00 0.00 H new ATOM 0 HB2 LYS A 11 1.178 9.473 2.892 1.00 0.00 H new ATOM 0 HB3 LYS A 11 2.007 7.939 2.718 1.00 0.00 H new ATOM 0 HG2 LYS A 11 3.583 9.208 1.077 1.00 0.00 H new ATOM 0 HG3 LYS A 11 2.893 10.667 1.757 1.00 0.00 H new ATOM 0 HD2 LYS A 11 3.790 10.275 3.885 1.00 0.00 H new ATOM 0 HD3 LYS A 11 3.897 8.543 3.640 1.00 0.00 H new ATOM 0 HE2 LYS A 11 5.699 8.985 1.897 1.00 0.00 H new ATOM 0 HE3 LYS A 11 5.664 10.671 2.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 7.408 9.473 3.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 6.248 10.017 4.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 6.282 8.383 4.174 1.00 0.00 H new ATOM 129 N ALA A 12 0.183 6.315 1.088 1.00 0.00 N ATOM 130 CA ALA A 12 -0.794 5.265 1.345 1.00 0.00 C ATOM 131 C ALA A 12 -0.202 4.167 2.222 1.00 0.00 C ATOM 132 O ALA A 12 0.971 3.818 2.088 1.00 0.00 O ATOM 133 CB ALA A 12 -1.299 4.681 0.034 1.00 0.00 C ATOM 0 H ALA A 12 1.098 5.976 0.790 1.00 0.00 H new ATOM 0 HA ALA A 12 -1.634 5.708 1.880 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -2.028 3.898 0.242 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -1.769 5.467 -0.557 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -0.462 4.259 -0.523 1.00 0.00 H new ATOM 139 N ARG A 13 -1.020 3.626 3.119 1.00 0.00 N ATOM 140 CA ARG A 13 -0.576 2.569 4.019 1.00 0.00 C ATOM 141 C ARG A 13 -1.075 1.207 3.546 1.00 0.00 C ATOM 142 O ARG A 13 -2.193 1.083 3.045 1.00 0.00 O ATOM 143 CB ARG A 13 -1.070 2.839 5.441 1.00 0.00 C ATOM 144 CG ARG A 13 -0.419 1.954 6.491 1.00 0.00 C ATOM 145 CD ARG A 13 -1.195 1.977 7.799 1.00 0.00 C ATOM 146 NE ARG A 13 -0.975 0.768 8.587 1.00 0.00 N ATOM 147 CZ ARG A 13 -1.543 0.547 9.767 1.00 0.00 C ATOM 148 NH1 ARG A 13 -2.361 1.448 10.292 1.00 0.00 N ATOM 149 NH2 ARG A 13 -1.294 -0.579 10.425 1.00 0.00 N ATOM 0 H ARG A 13 -1.994 3.903 3.242 1.00 0.00 H new ATOM 0 HA ARG A 13 0.514 2.559 4.016 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -0.880 3.883 5.690 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -2.150 2.694 5.475 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -0.360 0.931 6.120 1.00 0.00 H new ATOM 0 HG3 ARG A 13 0.603 2.289 6.667 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -0.897 2.849 8.382 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -2.259 2.083 7.587 1.00 0.00 H new ATOM 0 HE ARG A 13 -0.351 0.054 8.211 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -2.556 2.314 9.790 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -2.796 1.275 11.198 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -0.666 -1.276 10.024 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -1.731 -0.747 11.331 1.00 0.00 H new ATOM 163 N VAL A 14 -0.238 0.187 3.708 1.00 0.00 N ATOM 164 CA VAL A 14 -0.594 -1.167 3.299 1.00 0.00 C ATOM 165 C VAL A 14 -1.210 -1.947 4.455 1.00 0.00 C ATOM 166 O VAL A 14 -0.626 -2.041 5.534 1.00 0.00 O ATOM 167 CB VAL A 14 0.632 -1.934 2.771 1.00 0.00 C ATOM 168 CG1 VAL A 14 0.226 -3.313 2.272 1.00 0.00 C ATOM 169 CG2 VAL A 14 1.324 -1.143 1.672 1.00 0.00 C ATOM 0 H VAL A 14 0.691 0.272 4.120 1.00 0.00 H new ATOM 0 HA VAL A 14 -1.327 -1.073 2.498 1.00 0.00 H new ATOM 0 HB VAL A 14 1.337 -2.064 3.592 1.00 0.00 H new ATOM 0 HG11 VAL A 14 1.106 -3.840 1.903 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.219 -3.879 3.090 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.500 -3.209 1.465 1.00 0.00 H new ATOM 0 HG21 VAL A 14 2.188 -1.701 1.311 1.00 0.00 H new ATOM 0 HG22 VAL A 14 0.629 -0.979 0.849 1.00 0.00 H new ATOM 0 HG23 VAL A 14 1.652 -0.182 2.067 1.00 0.00 H new ATOM 179 N MET A 15 -2.394 -2.504 4.221 1.00 0.00 N ATOM 180 CA MET A 15 -3.088 -3.278 5.243 1.00 0.00 C ATOM 181 C MET A 15 -2.656 -4.741 5.205 1.00 0.00 C ATOM 182 O MET A 15 -2.698 -5.437 6.220 1.00 0.00 O ATOM 183 CB MET A 15 -4.603 -3.177 5.049 1.00 0.00 C ATOM 184 CG MET A 15 -5.066 -1.802 4.594 1.00 0.00 C ATOM 185 SD MET A 15 -6.750 -1.428 5.119 1.00 0.00 S ATOM 186 CE MET A 15 -7.695 -2.335 3.898 1.00 0.00 C ATOM 0 H MET A 15 -2.892 -2.434 3.334 1.00 0.00 H new ATOM 0 HA MET A 15 -2.825 -2.865 6.217 1.00 0.00 H new ATOM 0 HB2 MET A 15 -4.918 -3.919 4.315 1.00 0.00 H new ATOM 0 HB3 MET A 15 -5.099 -3.427 5.987 1.00 0.00 H new ATOM 0 HG2 MET A 15 -4.389 -1.045 4.991 1.00 0.00 H new ATOM 0 HG3 MET A 15 -5.007 -1.744 3.507 1.00 0.00 H new ATOM 0 HE1 MET A 15 -8.638 -1.821 3.713 1.00 0.00 H new ATOM 0 HE2 MET A 15 -7.127 -2.396 2.970 1.00 0.00 H new ATOM 0 HE3 MET A 15 -7.896 -3.341 4.267 1.00 0.00 H new ATOM 196 N TYR A 16 -2.242 -5.200 4.029 1.00 0.00 N ATOM 197 CA TYR A 16 -1.805 -6.581 3.859 1.00 0.00 C ATOM 198 C TYR A 16 -0.702 -6.677 2.810 1.00 0.00 C ATOM 199 O TYR A 16 -0.770 -6.038 1.760 1.00 0.00 O ATOM 200 CB TYR A 16 -2.986 -7.466 3.457 1.00 0.00 C ATOM 201 CG TYR A 16 -4.297 -7.048 4.084 1.00 0.00 C ATOM 202 CD1 TYR A 16 -4.577 -7.337 5.413 1.00 0.00 C ATOM 203 CD2 TYR A 16 -5.255 -6.363 3.346 1.00 0.00 C ATOM 204 CE1 TYR A 16 -5.774 -6.958 5.990 1.00 0.00 C ATOM 205 CE2 TYR A 16 -6.454 -5.979 3.915 1.00 0.00 C ATOM 206 CZ TYR A 16 -6.709 -6.279 5.237 1.00 0.00 C ATOM 207 OH TYR A 16 -7.902 -5.899 5.808 1.00 0.00 O ATOM 0 H TYR A 16 -2.200 -4.636 3.180 1.00 0.00 H new ATOM 0 HA TYR A 16 -1.407 -6.930 4.812 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -3.090 -7.448 2.372 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -2.770 -8.496 3.740 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -3.847 -7.867 6.006 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -5.059 -6.127 2.311 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -5.976 -7.192 7.025 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -7.188 -5.447 3.328 1.00 0.00 H new ATOM 0 HH TYR A 16 -8.448 -5.430 5.143 1.00 0.00 H new ATOM 217 N ASP A 17 0.314 -7.482 3.102 1.00 0.00 N ATOM 218 CA ASP A 17 1.433 -7.665 2.184 1.00 0.00 C ATOM 219 C ASP A 17 0.938 -8.077 0.801 1.00 0.00 C ATOM 220 O ASP A 17 0.076 -8.946 0.672 1.00 0.00 O ATOM 221 CB ASP A 17 2.399 -8.718 2.728 1.00 0.00 C ATOM 222 CG ASP A 17 3.587 -8.942 1.813 1.00 0.00 C ATOM 223 OD1 ASP A 17 4.605 -8.239 1.979 1.00 0.00 O ATOM 224 OD2 ASP A 17 3.497 -9.820 0.929 1.00 0.00 O ATOM 0 H ASP A 17 0.386 -8.018 3.967 1.00 0.00 H new ATOM 0 HA ASP A 17 1.958 -6.714 2.094 1.00 0.00 H new ATOM 0 HB2 ASP A 17 2.754 -8.408 3.711 1.00 0.00 H new ATOM 0 HB3 ASP A 17 1.867 -9.659 2.864 1.00 0.00 H new ATOM 229 N PHE A 18 1.490 -7.447 -0.231 1.00 0.00 N ATOM 230 CA PHE A 18 1.104 -7.747 -1.605 1.00 0.00 C ATOM 231 C PHE A 18 2.311 -8.197 -2.423 1.00 0.00 C ATOM 232 O PHE A 18 3.443 -7.798 -2.150 1.00 0.00 O ATOM 233 CB PHE A 18 0.461 -6.520 -2.256 1.00 0.00 C ATOM 234 CG PHE A 18 -0.009 -6.765 -3.661 1.00 0.00 C ATOM 235 CD1 PHE A 18 -0.770 -7.882 -3.966 1.00 0.00 C ATOM 236 CD2 PHE A 18 0.309 -5.877 -4.676 1.00 0.00 C ATOM 237 CE1 PHE A 18 -1.205 -8.110 -5.258 1.00 0.00 C ATOM 238 CE2 PHE A 18 -0.124 -6.100 -5.970 1.00 0.00 C ATOM 239 CZ PHE A 18 -0.881 -7.218 -6.262 1.00 0.00 C ATOM 0 H PHE A 18 2.206 -6.726 -0.142 1.00 0.00 H new ATOM 0 HA PHE A 18 0.379 -8.560 -1.583 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -0.385 -6.198 -1.649 1.00 0.00 H new ATOM 0 HB3 PHE A 18 1.181 -5.701 -2.260 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -1.026 -8.583 -3.185 1.00 0.00 H new ATOM 0 HD2 PHE A 18 0.901 -5.002 -4.454 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -1.798 -8.985 -5.482 1.00 0.00 H new ATOM 0 HE2 PHE A 18 0.130 -5.400 -6.752 1.00 0.00 H new ATOM 0 HZ PHE A 18 -1.219 -7.394 -7.273 1.00 0.00 H new ATOM 249 N ALA A 19 2.060 -9.031 -3.427 1.00 0.00 N ATOM 250 CA ALA A 19 3.124 -9.535 -4.286 1.00 0.00 C ATOM 251 C ALA A 19 2.863 -9.185 -5.747 1.00 0.00 C ATOM 252 O ALA A 19 2.044 -9.821 -6.410 1.00 0.00 O ATOM 253 CB ALA A 19 3.269 -11.040 -4.119 1.00 0.00 C ATOM 0 H ALA A 19 1.129 -9.372 -3.665 1.00 0.00 H new ATOM 0 HA ALA A 19 4.056 -9.056 -3.986 1.00 0.00 H new ATOM 0 HB1 ALA A 19 4.067 -11.403 -4.767 1.00 0.00 H new ATOM 0 HB2 ALA A 19 3.511 -11.269 -3.081 1.00 0.00 H new ATOM 0 HB3 ALA A 19 2.333 -11.528 -4.389 1.00 0.00 H new ATOM 259 N ALA A 20 3.562 -8.170 -6.242 1.00 0.00 N ATOM 260 CA ALA A 20 3.406 -7.737 -7.625 1.00 0.00 C ATOM 261 C ALA A 20 3.907 -8.803 -8.594 1.00 0.00 C ATOM 262 O ALA A 20 5.111 -9.011 -8.732 1.00 0.00 O ATOM 263 CB ALA A 20 4.143 -6.425 -7.854 1.00 0.00 C ATOM 0 H ALA A 20 4.242 -7.632 -5.706 1.00 0.00 H new ATOM 0 HA ALA A 20 2.344 -7.582 -7.813 1.00 0.00 H new ATOM 0 HB1 ALA A 20 4.018 -6.114 -8.891 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.736 -5.659 -7.194 1.00 0.00 H new ATOM 0 HB3 ALA A 20 5.203 -6.561 -7.642 1.00 0.00 H new ATOM 319 N ASN A 25 2.510 -4.862 -14.977 1.00 0.00 N ATOM 320 CA ASN A 25 2.488 -3.487 -14.492 1.00 0.00 C ATOM 321 C ASN A 25 1.966 -3.423 -13.060 1.00 0.00 C ATOM 322 O ASN A 25 0.802 -3.097 -12.828 1.00 0.00 O ATOM 323 CB ASN A 25 1.620 -2.617 -15.403 1.00 0.00 C ATOM 324 CG ASN A 25 1.890 -1.136 -15.217 1.00 0.00 C ATOM 325 OD1 ASN A 25 2.530 -0.728 -14.248 1.00 0.00 O ATOM 326 ND2 ASN A 25 1.401 -0.324 -16.147 1.00 0.00 N ATOM 0 HA ASN A 25 3.510 -3.107 -14.504 1.00 0.00 H new ATOM 0 HB2 ASN A 25 1.803 -2.889 -16.443 1.00 0.00 H new ATOM 0 HB3 ASN A 25 0.568 -2.820 -15.201 1.00 0.00 H new ATOM 0 HD21 ASN A 25 1.550 0.682 -16.075 1.00 0.00 H new ATOM 0 HD22 ASN A 25 0.876 -0.707 -16.933 1.00 0.00 H new ATOM 333 N GLU A 26 2.835 -3.736 -12.104 1.00 0.00 N ATOM 334 CA GLU A 26 2.461 -3.714 -10.695 1.00 0.00 C ATOM 335 C GLU A 26 3.685 -3.498 -9.810 1.00 0.00 C ATOM 336 O GLU A 26 4.795 -3.904 -10.157 1.00 0.00 O ATOM 337 CB GLU A 26 1.763 -5.021 -10.310 1.00 0.00 C ATOM 338 CG GLU A 26 0.397 -5.193 -10.952 1.00 0.00 C ATOM 339 CD GLU A 26 -0.490 -6.156 -10.186 1.00 0.00 C ATOM 340 OE1 GLU A 26 -0.234 -6.370 -8.983 1.00 0.00 O ATOM 341 OE2 GLU A 26 -1.441 -6.694 -10.790 1.00 0.00 O ATOM 0 H GLU A 26 3.802 -4.008 -12.280 1.00 0.00 H new ATOM 0 HA GLU A 26 1.772 -2.883 -10.541 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.398 -5.860 -10.596 1.00 0.00 H new ATOM 0 HB3 GLU A 26 1.653 -5.059 -9.226 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -0.096 -4.223 -11.015 1.00 0.00 H new ATOM 0 HG3 GLU A 26 0.522 -5.554 -11.973 1.00 0.00 H new ATOM 348 N LEU A 27 3.475 -2.856 -8.666 1.00 0.00 N ATOM 349 CA LEU A 27 4.560 -2.585 -7.731 1.00 0.00 C ATOM 350 C LEU A 27 4.435 -3.456 -6.484 1.00 0.00 C ATOM 351 O LEU A 27 3.333 -3.702 -5.993 1.00 0.00 O ATOM 352 CB LEU A 27 4.563 -1.107 -7.336 1.00 0.00 C ATOM 353 CG LEU A 27 5.537 -0.710 -6.226 1.00 0.00 C ATOM 354 CD1 LEU A 27 6.968 -0.730 -6.740 1.00 0.00 C ATOM 355 CD2 LEU A 27 5.186 0.664 -5.675 1.00 0.00 C ATOM 0 H LEU A 27 2.563 -2.514 -8.364 1.00 0.00 H new ATOM 0 HA LEU A 27 5.501 -2.824 -8.226 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.793 -0.515 -8.222 1.00 0.00 H new ATOM 0 HB3 LEU A 27 3.555 -0.833 -7.023 1.00 0.00 H new ATOM 0 HG LEU A 27 5.452 -1.436 -5.418 1.00 0.00 H new ATOM 0 HD11 LEU A 27 7.647 -0.445 -5.937 1.00 0.00 H new ATOM 0 HD12 LEU A 27 7.216 -1.733 -7.086 1.00 0.00 H new ATOM 0 HD13 LEU A 27 7.068 -0.026 -7.566 1.00 0.00 H new ATOM 0 HD21 LEU A 27 5.889 0.930 -4.886 1.00 0.00 H new ATOM 0 HD22 LEU A 27 5.242 1.402 -6.475 1.00 0.00 H new ATOM 0 HD23 LEU A 27 4.175 0.646 -5.268 1.00 0.00 H new ATOM 367 N THR A 28 5.573 -3.918 -5.975 1.00 0.00 N ATOM 368 CA THR A 28 5.592 -4.760 -4.786 1.00 0.00 C ATOM 369 C THR A 28 5.566 -3.918 -3.516 1.00 0.00 C ATOM 370 O THR A 28 6.251 -2.900 -3.420 1.00 0.00 O ATOM 371 CB THR A 28 6.835 -5.669 -4.760 1.00 0.00 C ATOM 372 OG1 THR A 28 6.905 -6.437 -5.967 1.00 0.00 O ATOM 373 CG2 THR A 28 6.798 -6.604 -3.561 1.00 0.00 C ATOM 0 H THR A 28 6.494 -3.723 -6.368 1.00 0.00 H new ATOM 0 HA THR A 28 4.698 -5.382 -4.825 1.00 0.00 H new ATOM 0 HB THR A 28 7.719 -5.036 -4.680 1.00 0.00 H new ATOM 0 HG1 THR A 28 7.699 -7.011 -5.944 1.00 0.00 H new ATOM 0 HG21 THR A 28 7.686 -7.236 -3.565 1.00 0.00 H new ATOM 0 HG22 THR A 28 6.774 -6.017 -2.643 1.00 0.00 H new ATOM 0 HG23 THR A 28 5.907 -7.230 -3.615 1.00 0.00 H new ATOM 381 N VAL A 29 4.771 -4.349 -2.541 1.00 0.00 N ATOM 382 CA VAL A 29 4.658 -3.636 -1.275 1.00 0.00 C ATOM 383 C VAL A 29 4.511 -4.606 -0.108 1.00 0.00 C ATOM 384 O VAL A 29 4.421 -5.819 -0.302 1.00 0.00 O ATOM 385 CB VAL A 29 3.457 -2.670 -1.280 1.00 0.00 C ATOM 386 CG1 VAL A 29 3.618 -1.625 -2.373 1.00 0.00 C ATOM 387 CG2 VAL A 29 2.157 -3.440 -1.454 1.00 0.00 C ATOM 0 H VAL A 29 4.196 -5.189 -2.604 1.00 0.00 H new ATOM 0 HA VAL A 29 5.576 -3.062 -1.152 1.00 0.00 H new ATOM 0 HB VAL A 29 3.422 -2.154 -0.320 1.00 0.00 H new ATOM 0 HG11 VAL A 29 2.761 -0.952 -2.362 1.00 0.00 H new ATOM 0 HG12 VAL A 29 4.530 -1.054 -2.199 1.00 0.00 H new ATOM 0 HG13 VAL A 29 3.678 -2.119 -3.343 1.00 0.00 H new ATOM 0 HG21 VAL A 29 1.319 -2.743 -1.455 1.00 0.00 H new ATOM 0 HG22 VAL A 29 2.179 -3.983 -2.399 1.00 0.00 H new ATOM 0 HG23 VAL A 29 2.040 -4.147 -0.632 1.00 0.00 H new ATOM 397 N THR A 30 4.486 -4.064 1.106 1.00 0.00 N ATOM 398 CA THR A 30 4.350 -4.881 2.305 1.00 0.00 C ATOM 399 C THR A 30 3.522 -4.167 3.366 1.00 0.00 C ATOM 400 O THR A 30 3.406 -2.942 3.355 1.00 0.00 O ATOM 401 CB THR A 30 5.725 -5.240 2.899 1.00 0.00 C ATOM 402 OG1 THR A 30 5.573 -6.223 3.929 1.00 0.00 O ATOM 403 CG2 THR A 30 6.409 -4.005 3.466 1.00 0.00 C ATOM 0 H THR A 30 4.558 -3.062 1.284 1.00 0.00 H new ATOM 0 HA THR A 30 3.841 -5.797 2.007 1.00 0.00 H new ATOM 0 HB THR A 30 6.346 -5.645 2.100 1.00 0.00 H new ATOM 0 HG1 THR A 30 5.238 -7.057 3.538 1.00 0.00 H new ATOM 0 HG21 THR A 30 7.378 -4.284 3.880 1.00 0.00 H new ATOM 0 HG22 THR A 30 6.551 -3.271 2.673 1.00 0.00 H new ATOM 0 HG23 THR A 30 5.789 -3.574 4.252 1.00 0.00 H new ATOM 411 N GLU A 31 2.948 -4.940 4.283 1.00 0.00 N ATOM 412 CA GLU A 31 2.130 -4.379 5.351 1.00 0.00 C ATOM 413 C GLU A 31 2.968 -3.497 6.272 1.00 0.00 C ATOM 414 O GLU A 31 4.037 -3.899 6.732 1.00 0.00 O ATOM 415 CB GLU A 31 1.471 -5.498 6.160 1.00 0.00 C ATOM 416 CG GLU A 31 0.818 -5.017 7.445 1.00 0.00 C ATOM 417 CD GLU A 31 1.773 -5.024 8.623 1.00 0.00 C ATOM 418 OE1 GLU A 31 1.892 -6.076 9.285 1.00 0.00 O ATOM 419 OE2 GLU A 31 2.401 -3.976 8.883 1.00 0.00 O ATOM 0 H GLU A 31 3.035 -5.956 4.307 1.00 0.00 H new ATOM 0 HA GLU A 31 1.354 -3.764 4.895 1.00 0.00 H new ATOM 0 HB2 GLU A 31 0.719 -5.988 5.541 1.00 0.00 H new ATOM 0 HB3 GLU A 31 2.222 -6.250 6.403 1.00 0.00 H new ATOM 0 HG2 GLU A 31 0.436 -4.007 7.298 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -0.038 -5.652 7.673 1.00 0.00 H new ATOM 426 N GLY A 32 2.475 -2.291 6.537 1.00 0.00 N ATOM 427 CA GLY A 32 3.191 -1.370 7.400 1.00 0.00 C ATOM 428 C GLY A 32 4.122 -0.456 6.628 1.00 0.00 C ATOM 429 O GLY A 32 4.579 0.560 7.151 1.00 0.00 O ATOM 0 H GLY A 32 1.592 -1.935 6.169 1.00 0.00 H new ATOM 0 HA2 GLY A 32 2.474 -0.767 7.957 1.00 0.00 H new ATOM 0 HA3 GLY A 32 3.767 -1.936 8.132 1.00 0.00 H new ATOM 433 N GLU A 33 4.405 -0.819 5.381 1.00 0.00 N ATOM 434 CA GLU A 33 5.291 -0.024 4.537 1.00 0.00 C ATOM 435 C GLU A 33 4.534 1.134 3.894 1.00 0.00 C ATOM 436 O GLU A 33 3.424 0.960 3.389 1.00 0.00 O ATOM 437 CB GLU A 33 5.921 -0.901 3.453 1.00 0.00 C ATOM 438 CG GLU A 33 6.640 -0.111 2.373 1.00 0.00 C ATOM 439 CD GLU A 33 7.388 -1.001 1.400 1.00 0.00 C ATOM 440 OE1 GLU A 33 8.333 -1.692 1.833 1.00 0.00 O ATOM 441 OE2 GLU A 33 7.027 -1.006 0.204 1.00 0.00 O ATOM 0 H GLU A 33 4.035 -1.657 4.933 1.00 0.00 H new ATOM 0 HA GLU A 33 6.081 0.386 5.167 1.00 0.00 H new ATOM 0 HB2 GLU A 33 6.627 -1.589 3.919 1.00 0.00 H new ATOM 0 HB3 GLU A 33 5.143 -1.508 2.990 1.00 0.00 H new ATOM 0 HG2 GLU A 33 5.915 0.491 1.825 1.00 0.00 H new ATOM 0 HG3 GLU A 33 7.341 0.581 2.840 1.00 0.00 H new ATOM 448 N ILE A 34 5.142 2.315 3.916 1.00 0.00 N ATOM 449 CA ILE A 34 4.527 3.502 3.335 1.00 0.00 C ATOM 450 C ILE A 34 5.199 3.881 2.020 1.00 0.00 C ATOM 451 O ILE A 34 6.412 3.731 1.865 1.00 0.00 O ATOM 452 CB ILE A 34 4.595 4.701 4.298 1.00 0.00 C ATOM 453 CG1 ILE A 34 3.927 4.352 5.630 1.00 0.00 C ATOM 454 CG2 ILE A 34 3.937 5.921 3.673 1.00 0.00 C ATOM 455 CD1 ILE A 34 2.480 3.934 5.489 1.00 0.00 C ATOM 0 H ILE A 34 6.060 2.476 4.330 1.00 0.00 H new ATOM 0 HA ILE A 34 3.482 3.256 3.149 1.00 0.00 H new ATOM 0 HB ILE A 34 5.642 4.936 4.489 1.00 0.00 H new ATOM 0 HG12 ILE A 34 4.485 3.546 6.107 1.00 0.00 H new ATOM 0 HG13 ILE A 34 3.984 5.215 6.293 1.00 0.00 H new ATOM 0 HG21 ILE A 34 3.993 6.760 4.366 1.00 0.00 H new ATOM 0 HG22 ILE A 34 4.453 6.179 2.748 1.00 0.00 H new ATOM 0 HG23 ILE A 34 2.892 5.700 3.456 1.00 0.00 H new ATOM 0 HD11 ILE A 34 2.071 3.702 6.472 1.00 0.00 H new ATOM 0 HD12 ILE A 34 1.908 4.747 5.041 1.00 0.00 H new ATOM 0 HD13 ILE A 34 2.417 3.052 4.852 1.00 0.00 H new ATOM 467 N ILE A 35 4.405 4.375 1.076 1.00 0.00 N ATOM 468 CA ILE A 35 4.924 4.780 -0.224 1.00 0.00 C ATOM 469 C ILE A 35 4.297 6.092 -0.682 1.00 0.00 C ATOM 470 O ILE A 35 3.382 6.613 -0.044 1.00 0.00 O ATOM 471 CB ILE A 35 4.667 3.701 -1.293 1.00 0.00 C ATOM 472 CG1 ILE A 35 3.170 3.406 -1.402 1.00 0.00 C ATOM 473 CG2 ILE A 35 5.439 2.432 -0.961 1.00 0.00 C ATOM 474 CD1 ILE A 35 2.783 2.712 -2.689 1.00 0.00 C ATOM 0 H ILE A 35 3.399 4.504 1.188 1.00 0.00 H new ATOM 0 HA ILE A 35 5.999 4.916 -0.106 1.00 0.00 H new ATOM 0 HB ILE A 35 5.016 4.074 -2.256 1.00 0.00 H new ATOM 0 HG12 ILE A 35 2.868 2.785 -0.559 1.00 0.00 H new ATOM 0 HG13 ILE A 35 2.617 4.342 -1.323 1.00 0.00 H new ATOM 0 HG21 ILE A 35 5.247 1.679 -1.725 1.00 0.00 H new ATOM 0 HG22 ILE A 35 6.506 2.653 -0.929 1.00 0.00 H new ATOM 0 HG23 ILE A 35 5.118 2.054 0.009 1.00 0.00 H new ATOM 0 HD11 ILE A 35 1.708 2.534 -2.697 1.00 0.00 H new ATOM 0 HD12 ILE A 35 3.054 3.341 -3.537 1.00 0.00 H new ATOM 0 HD13 ILE A 35 3.309 1.760 -2.761 1.00 0.00 H new ATOM 486 N THR A 36 4.795 6.623 -1.795 1.00 0.00 N ATOM 487 CA THR A 36 4.285 7.874 -2.340 1.00 0.00 C ATOM 488 C THR A 36 3.314 7.619 -3.487 1.00 0.00 C ATOM 489 O THR A 36 3.647 6.934 -4.455 1.00 0.00 O ATOM 490 CB THR A 36 5.428 8.777 -2.841 1.00 0.00 C ATOM 491 OG1 THR A 36 6.341 9.051 -1.772 1.00 0.00 O ATOM 492 CG2 THR A 36 4.882 10.084 -3.397 1.00 0.00 C ATOM 0 H THR A 36 5.552 6.205 -2.336 1.00 0.00 H new ATOM 0 HA THR A 36 3.761 8.381 -1.530 1.00 0.00 H new ATOM 0 HB THR A 36 5.952 8.252 -3.640 1.00 0.00 H new ATOM 0 HG1 THR A 36 7.065 9.624 -2.099 1.00 0.00 H new ATOM 0 HG21 THR A 36 5.708 10.705 -3.744 1.00 0.00 H new ATOM 0 HG22 THR A 36 4.211 9.873 -4.230 1.00 0.00 H new ATOM 0 HG23 THR A 36 4.335 10.612 -2.615 1.00 0.00 H new ATOM 500 N VAL A 37 2.112 8.175 -3.374 1.00 0.00 N ATOM 501 CA VAL A 37 1.092 8.008 -4.403 1.00 0.00 C ATOM 502 C VAL A 37 1.203 9.095 -5.466 1.00 0.00 C ATOM 503 O VAL A 37 1.216 10.286 -5.154 1.00 0.00 O ATOM 504 CB VAL A 37 -0.325 8.038 -3.799 1.00 0.00 C ATOM 505 CG1 VAL A 37 -1.373 7.901 -4.892 1.00 0.00 C ATOM 506 CG2 VAL A 37 -0.482 6.941 -2.757 1.00 0.00 C ATOM 0 H VAL A 37 1.820 8.745 -2.580 1.00 0.00 H new ATOM 0 HA VAL A 37 1.262 7.034 -4.863 1.00 0.00 H new ATOM 0 HB VAL A 37 -0.472 8.999 -3.306 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -2.368 7.924 -4.447 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.272 8.725 -5.598 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -1.232 6.955 -5.415 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -1.489 6.976 -2.340 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -0.316 5.970 -3.223 1.00 0.00 H new ATOM 0 HG23 VAL A 37 0.246 7.090 -1.960 1.00 0.00 H new ATOM 516 N THR A 38 1.281 8.677 -6.726 1.00 0.00 N ATOM 517 CA THR A 38 1.391 9.614 -7.837 1.00 0.00 C ATOM 518 C THR A 38 0.099 9.665 -8.643 1.00 0.00 C ATOM 519 O THR A 38 -0.387 10.741 -8.988 1.00 0.00 O ATOM 520 CB THR A 38 2.554 9.240 -8.775 1.00 0.00 C ATOM 521 OG1 THR A 38 2.352 7.925 -9.305 1.00 0.00 O ATOM 522 CG2 THR A 38 3.884 9.296 -8.038 1.00 0.00 C ATOM 0 H THR A 38 1.270 7.695 -7.002 1.00 0.00 H new ATOM 0 HA THR A 38 1.585 10.595 -7.404 1.00 0.00 H new ATOM 0 HB THR A 38 2.579 9.961 -9.592 1.00 0.00 H new ATOM 0 HG1 THR A 38 3.095 7.695 -9.902 1.00 0.00 H new ATOM 0 HG21 THR A 38 4.690 9.028 -8.721 1.00 0.00 H new ATOM 0 HG22 THR A 38 4.049 10.305 -7.661 1.00 0.00 H new ATOM 0 HG23 THR A 38 3.867 8.595 -7.204 1.00 0.00 H new ATOM 530 N ASN A 39 -0.454 8.493 -8.940 1.00 0.00 N ATOM 531 CA ASN A 39 -1.691 8.404 -9.707 1.00 0.00 C ATOM 532 C ASN A 39 -2.667 7.429 -9.055 1.00 0.00 C ATOM 533 O ASN A 39 -2.787 6.271 -9.455 1.00 0.00 O ATOM 534 CB ASN A 39 -1.396 7.964 -11.142 1.00 0.00 C ATOM 535 CG ASN A 39 -2.512 8.332 -12.101 1.00 0.00 C ATOM 536 OD1 ASN A 39 -2.302 9.074 -13.060 1.00 0.00 O ATOM 537 ND2 ASN A 39 -3.707 7.812 -11.845 1.00 0.00 N ATOM 0 H ASN A 39 -0.065 7.592 -8.661 1.00 0.00 H new ATOM 0 HA ASN A 39 -2.150 9.393 -9.724 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -0.467 8.425 -11.477 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -1.243 6.885 -11.164 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -4.496 8.023 -12.455 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -3.835 7.201 -11.038 1.00 0.00 H new ATOM 544 N PRO A 40 -3.382 7.907 -8.025 1.00 0.00 N ATOM 545 CA PRO A 40 -4.360 7.095 -7.296 1.00 0.00 C ATOM 546 C PRO A 40 -5.594 6.783 -8.135 1.00 0.00 C ATOM 547 O PRO A 40 -6.232 5.746 -7.956 1.00 0.00 O ATOM 548 CB PRO A 40 -4.734 7.977 -6.102 1.00 0.00 C ATOM 549 CG PRO A 40 -4.465 9.369 -6.561 1.00 0.00 C ATOM 550 CD PRO A 40 -3.290 9.278 -7.494 1.00 0.00 C ATOM 0 HA PRO A 40 -3.954 6.123 -7.015 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -5.780 7.846 -5.826 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -4.139 7.728 -5.224 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -5.334 9.787 -7.068 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -4.243 10.022 -5.717 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -3.349 10.022 -8.289 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -2.348 9.444 -6.971 1.00 0.00 H new ATOM 558 N ASN A 41 -5.926 7.687 -9.051 1.00 0.00 N ATOM 559 CA ASN A 41 -7.085 7.507 -9.918 1.00 0.00 C ATOM 560 C ASN A 41 -6.677 6.882 -11.249 1.00 0.00 C ATOM 561 O ASN A 41 -6.774 7.516 -12.300 1.00 0.00 O ATOM 562 CB ASN A 41 -7.778 8.848 -10.163 1.00 0.00 C ATOM 563 CG ASN A 41 -9.054 8.701 -10.969 1.00 0.00 C ATOM 564 OD1 ASN A 41 -9.094 9.032 -12.154 1.00 0.00 O ATOM 565 ND2 ASN A 41 -10.105 8.203 -10.328 1.00 0.00 N ATOM 0 H ASN A 41 -5.409 8.551 -9.212 1.00 0.00 H new ATOM 0 HA ASN A 41 -7.780 6.833 -9.418 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -8.008 9.315 -9.205 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -7.095 9.516 -10.688 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -10.991 8.081 -10.819 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -10.026 7.942 -9.345 1.00 0.00 H new ATOM 572 N VAL A 42 -6.219 5.635 -11.196 1.00 0.00 N ATOM 573 CA VAL A 42 -5.798 4.924 -12.397 1.00 0.00 C ATOM 574 C VAL A 42 -6.996 4.549 -13.263 1.00 0.00 C ATOM 575 O VAL A 42 -7.009 4.802 -14.467 1.00 0.00 O ATOM 576 CB VAL A 42 -5.013 3.646 -12.046 1.00 0.00 C ATOM 577 CG1 VAL A 42 -4.410 3.029 -13.299 1.00 0.00 C ATOM 578 CG2 VAL A 42 -3.932 3.951 -11.019 1.00 0.00 C ATOM 0 H VAL A 42 -6.130 5.097 -10.334 1.00 0.00 H new ATOM 0 HA VAL A 42 -5.149 5.600 -12.953 1.00 0.00 H new ATOM 0 HB VAL A 42 -5.703 2.924 -11.610 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -3.859 2.127 -13.032 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -5.206 2.774 -13.998 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -3.732 3.743 -13.766 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -3.387 3.037 -10.782 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -3.242 4.690 -11.426 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -4.392 4.344 -10.112 1.00 0.00 H new ATOM 588 N GLY A 43 -8.003 3.944 -12.640 1.00 0.00 N ATOM 589 CA GLY A 43 -9.193 3.544 -13.369 1.00 0.00 C ATOM 590 C GLY A 43 -10.296 3.052 -12.453 1.00 0.00 C ATOM 591 O GLY A 43 -11.221 3.795 -12.129 1.00 0.00 O ATOM 0 H GLY A 43 -8.016 3.724 -11.644 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -9.559 4.389 -13.952 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -8.934 2.756 -14.077 1.00 0.00 H new ATOM 595 N GLY A 44 -10.198 1.794 -12.035 1.00 0.00 N ATOM 596 CA GLY A 44 -11.203 1.224 -11.156 1.00 0.00 C ATOM 597 C GLY A 44 -10.824 1.336 -9.693 1.00 0.00 C ATOM 598 O GLY A 44 -11.116 2.340 -9.044 1.00 0.00 O ATOM 0 H GLY A 44 -9.441 1.159 -12.289 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -12.155 1.729 -11.321 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -11.351 0.175 -11.411 1.00 0.00 H new ATOM 602 N GLY A 45 -10.173 0.301 -9.171 1.00 0.00 N ATOM 603 CA GLY A 45 -9.767 0.307 -7.778 1.00 0.00 C ATOM 604 C GLY A 45 -8.271 0.125 -7.610 1.00 0.00 C ATOM 605 O GLY A 45 -7.823 -0.580 -6.706 1.00 0.00 O ATOM 0 H GLY A 45 -9.920 -0.541 -9.688 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -10.069 1.248 -7.319 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -10.289 -0.489 -7.247 1.00 0.00 H new ATOM 609 N TRP A 46 -7.498 0.760 -8.483 1.00 0.00 N ATOM 610 CA TRP A 46 -6.044 0.663 -8.428 1.00 0.00 C ATOM 611 C TRP A 46 -5.417 2.027 -8.160 1.00 0.00 C ATOM 612 O TRP A 46 -6.096 3.054 -8.211 1.00 0.00 O ATOM 613 CB TRP A 46 -5.500 0.086 -9.736 1.00 0.00 C ATOM 614 CG TRP A 46 -6.042 -1.274 -10.056 1.00 0.00 C ATOM 615 CD1 TRP A 46 -7.294 -1.572 -10.512 1.00 0.00 C ATOM 616 CD2 TRP A 46 -5.347 -2.521 -9.940 1.00 0.00 C ATOM 617 NE1 TRP A 46 -7.420 -2.929 -10.688 1.00 0.00 N ATOM 618 CE2 TRP A 46 -6.240 -3.533 -10.345 1.00 0.00 C ATOM 619 CE3 TRP A 46 -4.059 -2.881 -9.537 1.00 0.00 C ATOM 620 CZ2 TRP A 46 -5.883 -4.879 -10.355 1.00 0.00 C ATOM 621 CZ3 TRP A 46 -3.706 -4.217 -9.547 1.00 0.00 C ATOM 622 CH2 TRP A 46 -4.615 -5.203 -9.955 1.00 0.00 C ATOM 0 H TRP A 46 -7.853 1.347 -9.237 1.00 0.00 H new ATOM 0 HA TRP A 46 -5.781 -0.005 -7.608 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -5.741 0.767 -10.553 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -4.413 0.031 -9.676 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -8.071 -0.848 -10.706 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -8.257 -3.408 -11.020 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -3.351 -2.128 -9.223 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -6.582 -5.640 -10.667 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -2.713 -4.506 -9.235 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -4.309 -6.239 -9.954 1.00 0.00 H new ATOM 633 N LEU A 47 -4.119 2.032 -7.875 1.00 0.00 N ATOM 634 CA LEU A 47 -3.401 3.271 -7.600 1.00 0.00 C ATOM 635 C LEU A 47 -1.924 3.135 -7.956 1.00 0.00 C ATOM 636 O LEU A 47 -1.337 2.063 -7.810 1.00 0.00 O ATOM 637 CB LEU A 47 -3.549 3.652 -6.126 1.00 0.00 C ATOM 638 CG LEU A 47 -2.916 2.692 -5.118 1.00 0.00 C ATOM 639 CD1 LEU A 47 -1.424 2.960 -4.990 1.00 0.00 C ATOM 640 CD2 LEU A 47 -3.599 2.815 -3.763 1.00 0.00 C ATOM 0 H LEU A 47 -3.543 1.192 -7.828 1.00 0.00 H new ATOM 0 HA LEU A 47 -3.834 4.058 -8.218 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -3.111 4.640 -5.981 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -4.612 3.737 -5.898 1.00 0.00 H new ATOM 0 HG LEU A 47 -3.052 1.673 -5.481 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -0.991 2.267 -4.268 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -0.945 2.821 -5.959 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -1.266 3.984 -4.650 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -3.136 2.125 -3.058 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -3.494 3.835 -3.394 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -4.657 2.573 -3.866 1.00 0.00 H new ATOM 652 N GLU A 48 -1.330 4.229 -8.423 1.00 0.00 N ATOM 653 CA GLU A 48 0.079 4.231 -8.798 1.00 0.00 C ATOM 654 C GLU A 48 0.934 4.859 -7.701 1.00 0.00 C ATOM 655 O GLU A 48 0.558 5.870 -7.109 1.00 0.00 O ATOM 656 CB GLU A 48 0.279 4.988 -10.113 1.00 0.00 C ATOM 657 CG GLU A 48 1.520 4.563 -10.878 1.00 0.00 C ATOM 658 CD GLU A 48 1.546 5.102 -12.295 1.00 0.00 C ATOM 659 OE1 GLU A 48 1.210 6.290 -12.484 1.00 0.00 O ATOM 660 OE2 GLU A 48 1.902 4.336 -13.214 1.00 0.00 O ATOM 0 H GLU A 48 -1.802 5.124 -8.550 1.00 0.00 H new ATOM 0 HA GLU A 48 0.394 3.196 -8.932 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -0.596 4.838 -10.745 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.341 6.056 -9.902 1.00 0.00 H new ATOM 0 HG2 GLU A 48 2.406 4.909 -10.346 1.00 0.00 H new ATOM 0 HG3 GLU A 48 1.569 3.474 -10.907 1.00 0.00 H new ATOM 667 N GLY A 49 2.086 4.252 -7.435 1.00 0.00 N ATOM 668 CA GLY A 49 2.976 4.765 -6.410 1.00 0.00 C ATOM 669 C GLY A 49 4.433 4.467 -6.705 1.00 0.00 C ATOM 670 O GLY A 49 4.745 3.610 -7.532 1.00 0.00 O ATOM 0 H GLY A 49 2.419 3.414 -7.911 1.00 0.00 H new ATOM 0 HA2 GLY A 49 2.840 5.843 -6.321 1.00 0.00 H new ATOM 0 HA3 GLY A 49 2.707 4.329 -5.448 1.00 0.00 H new ATOM 674 N LYS A 50 5.329 5.178 -6.029 1.00 0.00 N ATOM 675 CA LYS A 50 6.762 4.987 -6.222 1.00 0.00 C ATOM 676 C LYS A 50 7.478 4.853 -4.882 1.00 0.00 C ATOM 677 O LYS A 50 7.066 5.444 -3.885 1.00 0.00 O ATOM 678 CB LYS A 50 7.351 6.157 -7.013 1.00 0.00 C ATOM 679 CG LYS A 50 8.856 6.070 -7.197 1.00 0.00 C ATOM 680 CD LYS A 50 9.366 7.149 -8.138 1.00 0.00 C ATOM 681 CE LYS A 50 9.601 8.461 -7.406 1.00 0.00 C ATOM 682 NZ LYS A 50 10.323 9.449 -8.255 1.00 0.00 N ATOM 0 H LYS A 50 5.088 5.892 -5.342 1.00 0.00 H new ATOM 0 HA LYS A 50 6.908 4.066 -6.786 1.00 0.00 H new ATOM 0 HB2 LYS A 50 6.875 6.198 -7.993 1.00 0.00 H new ATOM 0 HB3 LYS A 50 7.109 7.089 -6.502 1.00 0.00 H new ATOM 0 HG2 LYS A 50 9.348 6.168 -6.229 1.00 0.00 H new ATOM 0 HG3 LYS A 50 9.119 5.088 -7.591 1.00 0.00 H new ATOM 0 HD2 LYS A 50 10.295 6.819 -8.602 1.00 0.00 H new ATOM 0 HD3 LYS A 50 8.645 7.303 -8.941 1.00 0.00 H new ATOM 0 HE2 LYS A 50 8.644 8.880 -7.096 1.00 0.00 H new ATOM 0 HE3 LYS A 50 10.176 8.273 -6.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 10.464 10.330 -7.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 11.247 9.060 -8.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 9.763 9.648 -9.108 1.00 0.00 H new ATOM 696 N ASN A 51 8.554 4.072 -4.867 1.00 0.00 N ATOM 697 CA ASN A 51 9.328 3.862 -3.649 1.00 0.00 C ATOM 698 C ASN A 51 10.699 4.522 -3.755 1.00 0.00 C ATOM 699 O ASN A 51 11.101 4.973 -4.827 1.00 0.00 O ATOM 700 CB ASN A 51 9.490 2.365 -3.376 1.00 0.00 C ATOM 701 CG ASN A 51 9.677 1.562 -4.648 1.00 0.00 C ATOM 702 OD1 ASN A 51 10.043 2.105 -5.690 1.00 0.00 O ATOM 703 ND2 ASN A 51 9.425 0.260 -4.568 1.00 0.00 N ATOM 0 H ASN A 51 8.909 3.575 -5.684 1.00 0.00 H new ATOM 0 HA ASN A 51 8.787 4.320 -2.821 1.00 0.00 H new ATOM 0 HB2 ASN A 51 10.348 2.209 -2.722 1.00 0.00 H new ATOM 0 HB3 ASN A 51 8.612 1.998 -2.844 1.00 0.00 H new ATOM 0 HD21 ASN A 51 9.533 -0.332 -5.392 1.00 0.00 H new ATOM 0 HD22 ASN A 51 9.124 -0.148 -3.683 1.00 0.00 H new ATOM 710 N ASN A 52 11.413 4.575 -2.635 1.00 0.00 N ATOM 711 CA ASN A 52 12.739 5.180 -2.602 1.00 0.00 C ATOM 712 C ASN A 52 13.619 4.624 -3.717 1.00 0.00 C ATOM 713 O ASN A 52 14.444 5.338 -4.287 1.00 0.00 O ATOM 714 CB ASN A 52 13.401 4.934 -1.244 1.00 0.00 C ATOM 715 CG ASN A 52 12.417 5.033 -0.095 1.00 0.00 C ATOM 716 OD1 ASN A 52 11.602 4.135 0.118 1.00 0.00 O ATOM 717 ND2 ASN A 52 12.488 6.128 0.652 1.00 0.00 N ATOM 0 H ASN A 52 11.095 4.206 -1.739 1.00 0.00 H new ATOM 0 HA ASN A 52 12.625 6.253 -2.754 1.00 0.00 H new ATOM 0 HB2 ASN A 52 13.861 3.946 -1.241 1.00 0.00 H new ATOM 0 HB3 ASN A 52 14.202 5.659 -1.097 1.00 0.00 H new ATOM 0 HD21 ASN A 52 11.851 6.251 1.439 1.00 0.00 H new ATOM 0 HD22 ASN A 52 13.180 6.847 0.439 1.00 0.00 H new ATOM 724 N LYS A 53 13.437 3.344 -4.024 1.00 0.00 N ATOM 725 CA LYS A 53 14.212 2.691 -5.073 1.00 0.00 C ATOM 726 C LYS A 53 13.978 3.363 -6.422 1.00 0.00 C ATOM 727 O LYS A 53 14.854 3.367 -7.285 1.00 0.00 O ATOM 728 CB LYS A 53 13.843 1.208 -5.159 1.00 0.00 C ATOM 729 CG LYS A 53 14.220 0.414 -3.921 1.00 0.00 C ATOM 730 CD LYS A 53 15.723 0.207 -3.828 1.00 0.00 C ATOM 731 CE LYS A 53 16.178 0.069 -2.383 1.00 0.00 C ATOM 732 NZ LYS A 53 15.778 -1.241 -1.799 1.00 0.00 N ATOM 0 H LYS A 53 12.759 2.738 -3.561 1.00 0.00 H new ATOM 0 HA LYS A 53 15.268 2.783 -4.820 1.00 0.00 H new ATOM 0 HB2 LYS A 53 12.769 1.119 -5.325 1.00 0.00 H new ATOM 0 HB3 LYS A 53 14.337 0.769 -6.026 1.00 0.00 H new ATOM 0 HG2 LYS A 53 13.868 0.936 -3.031 1.00 0.00 H new ATOM 0 HG3 LYS A 53 13.719 -0.554 -3.942 1.00 0.00 H new ATOM 0 HD2 LYS A 53 16.004 -0.686 -4.386 1.00 0.00 H new ATOM 0 HD3 LYS A 53 16.237 1.048 -4.294 1.00 0.00 H new ATOM 0 HE2 LYS A 53 17.262 0.174 -2.332 1.00 0.00 H new ATOM 0 HE3 LYS A 53 15.751 0.877 -1.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 16.106 -1.297 -0.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 14.742 -1.331 -1.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 16.206 -2.012 -2.350 1.00 0.00 H new ATOM 746 N GLY A 54 12.789 3.933 -6.596 1.00 0.00 N ATOM 747 CA GLY A 54 12.462 4.602 -7.841 1.00 0.00 C ATOM 748 C GLY A 54 11.604 3.746 -8.752 1.00 0.00 C ATOM 749 O GLY A 54 11.430 4.061 -9.928 1.00 0.00 O ATOM 0 H GLY A 54 12.047 3.943 -5.896 1.00 0.00 H new ATOM 0 HA2 GLY A 54 11.938 5.533 -7.623 1.00 0.00 H new ATOM 0 HA3 GLY A 54 13.383 4.868 -8.359 1.00 0.00 H new ATOM 753 N GLU A 55 11.067 2.659 -8.206 1.00 0.00 N ATOM 754 CA GLU A 55 10.225 1.753 -8.979 1.00 0.00 C ATOM 755 C GLU A 55 8.754 2.135 -8.849 1.00 0.00 C ATOM 756 O GLU A 55 8.194 2.124 -7.753 1.00 0.00 O ATOM 757 CB GLU A 55 10.432 0.309 -8.517 1.00 0.00 C ATOM 758 CG GLU A 55 11.810 -0.243 -8.842 1.00 0.00 C ATOM 759 CD GLU A 55 11.863 -0.916 -10.199 1.00 0.00 C ATOM 760 OE1 GLU A 55 11.502 -2.109 -10.285 1.00 0.00 O ATOM 761 OE2 GLU A 55 12.266 -0.250 -11.176 1.00 0.00 O ATOM 0 H GLU A 55 11.200 2.385 -7.233 1.00 0.00 H new ATOM 0 HA GLU A 55 10.513 1.835 -10.027 1.00 0.00 H new ATOM 0 HB2 GLU A 55 10.273 0.255 -7.440 1.00 0.00 H new ATOM 0 HB3 GLU A 55 9.677 -0.324 -8.983 1.00 0.00 H new ATOM 0 HG2 GLU A 55 12.538 0.568 -8.814 1.00 0.00 H new ATOM 0 HG3 GLU A 55 12.101 -0.959 -8.074 1.00 0.00 H new ATOM 768 N GLN A 56 8.134 2.473 -9.975 1.00 0.00 N ATOM 769 CA GLN A 56 6.728 2.859 -9.987 1.00 0.00 C ATOM 770 C GLN A 56 5.877 1.798 -10.676 1.00 0.00 C ATOM 771 O GLN A 56 6.214 1.326 -11.761 1.00 0.00 O ATOM 772 CB GLN A 56 6.553 4.206 -10.691 1.00 0.00 C ATOM 773 CG GLN A 56 5.190 4.839 -10.464 1.00 0.00 C ATOM 774 CD GLN A 56 4.973 6.077 -11.311 1.00 0.00 C ATOM 775 OE1 GLN A 56 4.088 6.111 -12.166 1.00 0.00 O ATOM 776 NE2 GLN A 56 5.782 7.104 -11.077 1.00 0.00 N ATOM 0 H GLN A 56 8.583 2.487 -10.891 1.00 0.00 H new ATOM 0 HA GLN A 56 6.394 2.951 -8.953 1.00 0.00 H new ATOM 0 HB2 GLN A 56 7.325 4.892 -10.342 1.00 0.00 H new ATOM 0 HB3 GLN A 56 6.707 4.070 -11.761 1.00 0.00 H new ATOM 0 HG2 GLN A 56 4.413 4.109 -10.689 1.00 0.00 H new ATOM 0 HG3 GLN A 56 5.086 5.101 -9.411 1.00 0.00 H new ATOM 0 HE21 GLN A 56 6.502 7.032 -10.358 1.00 0.00 H new ATOM 0 HE22 GLN A 56 5.683 7.964 -11.616 1.00 0.00 H new ATOM 785 N GLY A 57 4.772 1.426 -10.037 1.00 0.00 N ATOM 786 CA GLY A 57 3.890 0.422 -10.604 1.00 0.00 C ATOM 787 C GLY A 57 2.457 0.579 -10.136 1.00 0.00 C ATOM 788 O GLY A 57 2.129 1.526 -9.420 1.00 0.00 O ATOM 0 H GLY A 57 4.472 1.802 -9.137 1.00 0.00 H new ATOM 0 HA2 GLY A 57 3.923 0.486 -11.692 1.00 0.00 H new ATOM 0 HA3 GLY A 57 4.251 -0.570 -10.332 1.00 0.00 H new ATOM 792 N LEU A 58 1.599 -0.351 -10.542 1.00 0.00 N ATOM 793 CA LEU A 58 0.191 -0.311 -10.162 1.00 0.00 C ATOM 794 C LEU A 58 -0.063 -1.164 -8.924 1.00 0.00 C ATOM 795 O LEU A 58 0.507 -2.245 -8.774 1.00 0.00 O ATOM 796 CB LEU A 58 -0.684 -0.796 -11.319 1.00 0.00 C ATOM 797 CG LEU A 58 -0.558 -0.018 -12.629 1.00 0.00 C ATOM 798 CD1 LEU A 58 -1.305 -0.729 -13.746 1.00 0.00 C ATOM 799 CD2 LEU A 58 -1.077 1.403 -12.457 1.00 0.00 C ATOM 0 H LEU A 58 1.854 -1.142 -11.134 1.00 0.00 H new ATOM 0 HA LEU A 58 -0.068 0.722 -9.928 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.444 -1.841 -11.516 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -1.725 -0.763 -10.999 1.00 0.00 H new ATOM 0 HG LEU A 58 0.497 0.032 -12.900 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.204 -0.161 -14.671 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -0.888 -1.726 -13.886 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.360 -0.811 -13.484 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -0.980 1.942 -13.399 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.126 1.374 -12.162 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.497 1.911 -11.686 1.00 0.00 H new ATOM 811 N VAL A 59 -0.925 -0.673 -8.039 1.00 0.00 N ATOM 812 CA VAL A 59 -1.258 -1.392 -6.815 1.00 0.00 C ATOM 813 C VAL A 59 -2.747 -1.291 -6.505 1.00 0.00 C ATOM 814 O VAL A 59 -3.367 -0.238 -6.656 1.00 0.00 O ATOM 815 CB VAL A 59 -0.457 -0.856 -5.614 1.00 0.00 C ATOM 816 CG1 VAL A 59 -0.880 -1.559 -4.333 1.00 0.00 C ATOM 817 CG2 VAL A 59 1.036 -1.020 -5.853 1.00 0.00 C ATOM 0 H VAL A 59 -1.406 0.220 -8.147 1.00 0.00 H new ATOM 0 HA VAL A 59 -0.995 -2.437 -6.981 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.669 0.207 -5.504 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -0.303 -1.167 -3.495 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -1.941 -1.385 -4.156 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -0.699 -2.630 -4.429 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.586 -0.636 -4.994 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.269 -2.076 -5.990 1.00 0.00 H new ATOM 0 HG23 VAL A 59 1.325 -0.466 -6.746 1.00 0.00 H new ATOM 827 N PRO A 60 -3.337 -2.411 -6.062 1.00 0.00 N ATOM 828 CA PRO A 60 -4.761 -2.473 -5.720 1.00 0.00 C ATOM 829 C PRO A 60 -5.090 -1.683 -4.458 1.00 0.00 C ATOM 830 O PRO A 60 -4.436 -1.840 -3.427 1.00 0.00 O ATOM 831 CB PRO A 60 -5.007 -3.967 -5.495 1.00 0.00 C ATOM 832 CG PRO A 60 -3.676 -4.515 -5.108 1.00 0.00 C ATOM 833 CD PRO A 60 -2.659 -3.702 -5.859 1.00 0.00 C ATOM 0 HA PRO A 60 -5.386 -2.036 -6.499 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -5.747 -4.133 -4.712 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -5.386 -4.446 -6.398 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -3.520 -4.438 -4.032 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -3.599 -5.571 -5.366 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -1.737 -3.586 -5.289 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -2.392 -4.169 -6.807 1.00 0.00 H new ATOM 841 N THR A 61 -6.109 -0.834 -4.546 1.00 0.00 N ATOM 842 CA THR A 61 -6.524 -0.018 -3.411 1.00 0.00 C ATOM 843 C THR A 61 -7.177 -0.872 -2.331 1.00 0.00 C ATOM 844 O THR A 61 -7.381 -0.417 -1.205 1.00 0.00 O ATOM 845 CB THR A 61 -7.509 1.085 -3.843 1.00 0.00 C ATOM 846 OG1 THR A 61 -8.704 0.497 -4.367 1.00 0.00 O ATOM 847 CG2 THR A 61 -6.881 1.991 -4.891 1.00 0.00 C ATOM 0 H THR A 61 -6.662 -0.693 -5.391 1.00 0.00 H new ATOM 0 HA THR A 61 -5.624 0.446 -3.009 1.00 0.00 H new ATOM 0 HB THR A 61 -7.755 1.685 -2.967 1.00 0.00 H new ATOM 0 HG1 THR A 61 -8.481 -0.062 -5.140 1.00 0.00 H new ATOM 0 HG21 THR A 61 -7.595 2.762 -5.181 1.00 0.00 H new ATOM 0 HG22 THR A 61 -5.988 2.460 -4.478 1.00 0.00 H new ATOM 0 HG23 THR A 61 -6.609 1.401 -5.766 1.00 0.00 H new ATOM 855 N ASP A 62 -7.502 -2.112 -2.679 1.00 0.00 N ATOM 856 CA ASP A 62 -8.131 -3.031 -1.737 1.00 0.00 C ATOM 857 C ASP A 62 -7.113 -3.559 -0.731 1.00 0.00 C ATOM 858 O ASP A 62 -7.474 -3.998 0.361 1.00 0.00 O ATOM 859 CB ASP A 62 -8.779 -4.197 -2.485 1.00 0.00 C ATOM 860 CG ASP A 62 -9.909 -3.748 -3.391 1.00 0.00 C ATOM 861 OD1 ASP A 62 -10.987 -3.401 -2.866 1.00 0.00 O ATOM 862 OD2 ASP A 62 -9.714 -3.743 -4.625 1.00 0.00 O ATOM 0 H ASP A 62 -7.340 -2.504 -3.607 1.00 0.00 H new ATOM 0 HA ASP A 62 -8.902 -2.484 -1.194 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -8.022 -4.709 -3.079 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -9.161 -4.920 -1.764 1.00 0.00 H new ATOM 867 N TYR A 63 -5.839 -3.516 -1.108 1.00 0.00 N ATOM 868 CA TYR A 63 -4.769 -3.993 -0.240 1.00 0.00 C ATOM 869 C TYR A 63 -4.136 -2.838 0.529 1.00 0.00 C ATOM 870 O TYR A 63 -3.678 -3.006 1.660 1.00 0.00 O ATOM 871 CB TYR A 63 -3.703 -4.718 -1.063 1.00 0.00 C ATOM 872 CG TYR A 63 -4.051 -6.156 -1.373 1.00 0.00 C ATOM 873 CD1 TYR A 63 -5.227 -6.479 -2.039 1.00 0.00 C ATOM 874 CD2 TYR A 63 -3.205 -7.193 -0.998 1.00 0.00 C ATOM 875 CE1 TYR A 63 -5.550 -7.791 -2.324 1.00 0.00 C ATOM 876 CE2 TYR A 63 -3.519 -8.508 -1.280 1.00 0.00 C ATOM 877 CZ TYR A 63 -4.693 -8.802 -1.943 1.00 0.00 C ATOM 878 OH TYR A 63 -5.010 -10.112 -2.224 1.00 0.00 O ATOM 0 H TYR A 63 -5.523 -3.156 -2.008 1.00 0.00 H new ATOM 0 HA TYR A 63 -5.201 -4.690 0.478 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -3.551 -4.180 -1.999 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -2.757 -4.691 -0.522 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -5.900 -5.690 -2.339 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -2.286 -6.967 -0.477 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -6.468 -8.024 -2.842 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -2.849 -9.302 -0.983 1.00 0.00 H new ATOM 0 HH TYR A 63 -4.301 -10.699 -1.889 1.00 0.00 H new ATOM 888 N VAL A 64 -4.114 -1.663 -0.092 1.00 0.00 N ATOM 889 CA VAL A 64 -3.539 -0.478 0.533 1.00 0.00 C ATOM 890 C VAL A 64 -4.565 0.646 0.629 1.00 0.00 C ATOM 891 O VAL A 64 -5.355 0.857 -0.290 1.00 0.00 O ATOM 892 CB VAL A 64 -2.311 0.028 -0.246 1.00 0.00 C ATOM 893 CG1 VAL A 64 -1.281 -1.081 -0.399 1.00 0.00 C ATOM 894 CG2 VAL A 64 -2.729 0.570 -1.605 1.00 0.00 C ATOM 0 H VAL A 64 -4.488 -1.506 -1.028 1.00 0.00 H new ATOM 0 HA VAL A 64 -3.229 -0.769 1.536 1.00 0.00 H new ATOM 0 HB VAL A 64 -1.853 0.840 0.319 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -0.420 -0.705 -0.952 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -0.960 -1.418 0.587 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -1.724 -1.916 -0.941 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -1.849 0.923 -2.142 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -3.211 -0.221 -2.179 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -3.427 1.396 -1.468 1.00 0.00 H new ATOM 904 N GLU A 65 -4.545 1.364 1.748 1.00 0.00 N ATOM 905 CA GLU A 65 -5.475 2.466 1.963 1.00 0.00 C ATOM 906 C GLU A 65 -4.751 3.808 1.900 1.00 0.00 C ATOM 907 O GLU A 65 -3.723 4.002 2.549 1.00 0.00 O ATOM 908 CB GLU A 65 -6.176 2.315 3.315 1.00 0.00 C ATOM 909 CG GLU A 65 -5.277 2.611 4.503 1.00 0.00 C ATOM 910 CD GLU A 65 -5.934 2.279 5.829 1.00 0.00 C ATOM 911 OE1 GLU A 65 -6.984 2.881 6.137 1.00 0.00 O ATOM 912 OE2 GLU A 65 -5.398 1.419 6.558 1.00 0.00 O ATOM 0 H GLU A 65 -3.896 1.202 2.518 1.00 0.00 H new ATOM 0 HA GLU A 65 -6.222 2.438 1.170 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -7.036 2.984 3.345 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -6.559 1.299 3.405 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -4.354 2.040 4.406 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -5.002 3.666 4.492 1.00 0.00 H new ATOM 919 N ILE A 66 -5.296 4.731 1.114 1.00 0.00 N ATOM 920 CA ILE A 66 -4.703 6.054 0.967 1.00 0.00 C ATOM 921 C ILE A 66 -5.043 6.945 2.158 1.00 0.00 C ATOM 922 O ILE A 66 -6.202 7.043 2.563 1.00 0.00 O ATOM 923 CB ILE A 66 -5.178 6.743 -0.326 1.00 0.00 C ATOM 924 CG1 ILE A 66 -4.816 5.892 -1.545 1.00 0.00 C ATOM 925 CG2 ILE A 66 -4.566 8.131 -0.442 1.00 0.00 C ATOM 926 CD1 ILE A 66 -5.322 6.462 -2.852 1.00 0.00 C ATOM 0 H ILE A 66 -6.147 4.587 0.570 1.00 0.00 H new ATOM 0 HA ILE A 66 -3.623 5.912 0.919 1.00 0.00 H new ATOM 0 HB ILE A 66 -6.262 6.847 -0.288 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -3.732 5.790 -1.598 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -5.224 4.890 -1.413 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -4.911 8.605 -1.361 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -4.868 8.735 0.414 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -3.479 8.049 -0.462 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -5.029 5.807 -3.672 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -6.409 6.538 -2.819 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -4.893 7.452 -3.007 1.00 0.00 H new ATOM 938 N LEU A 67 -4.026 7.594 2.713 1.00 0.00 N ATOM 939 CA LEU A 67 -4.216 8.479 3.857 1.00 0.00 C ATOM 940 C LEU A 67 -4.368 9.927 3.406 1.00 0.00 C ATOM 941 O LEU A 67 -3.773 10.362 2.419 1.00 0.00 O ATOM 942 CB LEU A 67 -3.037 8.355 4.824 1.00 0.00 C ATOM 943 CG LEU A 67 -2.638 6.932 5.218 1.00 0.00 C ATOM 944 CD1 LEU A 67 -1.269 6.926 5.881 1.00 0.00 C ATOM 945 CD2 LEU A 67 -3.683 6.321 6.140 1.00 0.00 C ATOM 0 H LEU A 67 -3.061 7.524 2.390 1.00 0.00 H new ATOM 0 HA LEU A 67 -5.131 8.180 4.369 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.172 8.842 4.375 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -3.278 8.908 5.732 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.583 6.326 4.313 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -1.002 5.905 6.155 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -0.527 7.322 5.188 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -1.296 7.546 6.777 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.383 5.309 6.410 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.771 6.926 7.042 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -4.645 6.290 5.629 1.00 0.00 H new ATOM 957 N PRO A 68 -5.183 10.695 4.144 1.00 0.00 N ATOM 958 CA PRO A 68 -5.430 12.108 3.840 1.00 0.00 C ATOM 959 C PRO A 68 -4.208 12.980 4.104 1.00 0.00 C ATOM 960 O PRO A 68 -3.704 13.036 5.226 1.00 0.00 O ATOM 961 CB PRO A 68 -6.570 12.481 4.792 1.00 0.00 C ATOM 962 CG PRO A 68 -6.444 11.524 5.926 1.00 0.00 C ATOM 963 CD PRO A 68 -5.925 10.244 5.333 1.00 0.00 C ATOM 0 HA PRO A 68 -5.667 12.263 2.788 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -6.480 13.513 5.133 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -7.540 12.390 4.303 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -5.762 11.907 6.685 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -7.407 11.366 6.412 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -5.280 9.710 6.031 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -6.736 9.566 5.067 1.00 0.00 H new