USER MOD reduce.3.24.130724 H: found=0, std=0, add=604, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 605 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 3 MET CE :methyl 139:sc= -0.386 (180deg=-2.04!) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= -0.0516 K(o=-0.052,f=-1.6!) USER MOD Single : A 7 GLN : amide:sc= -3.21! C(o=-3.2!,f=-3.3!) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0.125 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 MET CE :methyl -144:sc= -0.181 (180deg=-1.47!) USER MOD Single : A 51 GLN : amide:sc= -5.63! C(o=-5.6!,f=-5.3!) USER MOD Single : A 52 ASN : amide:sc= -0.0121 X(o=-0.012,f=-0.012) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot -140:sc= -1.46 USER MOD Single : A 81 MET CE :methyl 160:sc= -0.302 (180deg=-0.96) USER MOD Single : A 82 MET CE :methyl -150:sc= -0.628 (180deg=-2.4) USER MOD Single : A 85 GLN : amide:sc= -0.0687 X(o=-0.069,f=-0.014) USER MOD ----------------------------------------------------------------- ATOM 24 N MET A 3 -12.098 -2.846 -7.095 1.00 0.00 N ATOM 25 CA MET A 3 -10.945 -3.463 -6.380 1.00 0.00 C ATOM 26 C MET A 3 -11.468 -4.364 -5.260 1.00 0.00 C ATOM 27 O MET A 3 -10.793 -4.604 -4.278 1.00 0.00 O ATOM 28 CB MET A 3 -10.065 -2.363 -5.783 1.00 0.00 C ATOM 29 CG MET A 3 -9.837 -1.269 -6.829 1.00 0.00 C ATOM 30 SD MET A 3 -10.749 0.220 -6.350 1.00 0.00 S ATOM 31 CE MET A 3 -9.920 0.492 -4.765 1.00 0.00 C ATOM 0 HA MET A 3 -10.356 -4.056 -7.080 1.00 0.00 H new ATOM 0 HB2 MET A 3 -10.541 -1.941 -4.898 1.00 0.00 H new ATOM 0 HB3 MET A 3 -9.110 -2.780 -5.463 1.00 0.00 H new ATOM 0 HG2 MET A 3 -8.773 -1.046 -6.912 1.00 0.00 H new ATOM 0 HG3 MET A 3 -10.169 -1.613 -7.809 1.00 0.00 H new ATOM 0 HE1 MET A 3 -9.729 1.557 -4.632 1.00 0.00 H new ATOM 0 HE2 MET A 3 -10.556 0.134 -3.956 1.00 0.00 H new ATOM 0 HE3 MET A 3 -8.975 -0.051 -4.751 1.00 0.00 H new ATOM 41 N THR A 4 -12.665 -4.863 -5.398 1.00 0.00 N ATOM 42 CA THR A 4 -13.231 -5.748 -4.341 1.00 0.00 C ATOM 43 C THR A 4 -12.609 -7.142 -4.456 1.00 0.00 C ATOM 44 O THR A 4 -11.553 -7.404 -3.917 1.00 0.00 O ATOM 45 CB THR A 4 -14.748 -5.847 -4.518 1.00 0.00 C ATOM 46 OG1 THR A 4 -15.351 -4.627 -4.109 1.00 0.00 O ATOM 47 CG2 THR A 4 -15.285 -6.996 -3.666 1.00 0.00 C ATOM 0 H THR A 4 -13.276 -4.696 -6.197 1.00 0.00 H new ATOM 0 HA THR A 4 -13.007 -5.332 -3.359 1.00 0.00 H new ATOM 0 HB THR A 4 -14.983 -6.034 -5.566 1.00 0.00 H new ATOM 0 HG1 THR A 4 -16.322 -4.688 -4.223 1.00 0.00 H new ATOM 0 HG21 THR A 4 -16.365 -7.068 -3.791 1.00 0.00 H new ATOM 0 HG22 THR A 4 -14.820 -7.930 -3.981 1.00 0.00 H new ATOM 0 HG23 THR A 4 -15.053 -6.811 -2.617 1.00 0.00 H new ATOM 55 N ASP A 5 -13.253 -8.041 -5.156 1.00 0.00 N ATOM 56 CA ASP A 5 -12.687 -9.412 -5.301 1.00 0.00 C ATOM 57 C ASP A 5 -11.199 -9.294 -5.623 1.00 0.00 C ATOM 58 O ASP A 5 -10.412 -10.171 -5.326 1.00 0.00 O ATOM 59 CB ASP A 5 -13.402 -10.146 -6.438 1.00 0.00 C ATOM 60 CG ASP A 5 -13.758 -11.563 -5.985 1.00 0.00 C ATOM 61 OD1 ASP A 5 -14.647 -11.695 -5.161 1.00 0.00 O ATOM 62 OD2 ASP A 5 -13.132 -12.492 -6.468 1.00 0.00 O ATOM 0 H ASP A 5 -14.142 -7.884 -5.631 1.00 0.00 H new ATOM 0 HA ASP A 5 -12.825 -9.971 -4.376 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -14.305 -9.606 -6.723 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -12.762 -10.184 -7.320 1.00 0.00 H new ATOM 67 N GLN A 6 -10.811 -8.204 -6.224 1.00 0.00 N ATOM 68 CA GLN A 6 -9.378 -8.002 -6.566 1.00 0.00 C ATOM 69 C GLN A 6 -8.545 -8.017 -5.283 1.00 0.00 C ATOM 70 O GLN A 6 -7.589 -8.756 -5.158 1.00 0.00 O ATOM 71 CB GLN A 6 -9.223 -6.648 -7.255 1.00 0.00 C ATOM 72 CG GLN A 6 -8.558 -6.838 -8.620 1.00 0.00 C ATOM 73 CD GLN A 6 -8.705 -5.555 -9.441 1.00 0.00 C ATOM 74 OE1 GLN A 6 -9.721 -4.893 -9.378 1.00 0.00 O ATOM 75 NE2 GLN A 6 -7.726 -5.175 -10.215 1.00 0.00 N ATOM 0 H GLN A 6 -11.430 -7.440 -6.494 1.00 0.00 H new ATOM 0 HA GLN A 6 -9.037 -8.797 -7.229 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -10.199 -6.177 -7.377 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -8.622 -5.981 -6.637 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -7.503 -7.082 -8.492 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -9.017 -7.674 -9.147 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -6.872 -5.731 -10.268 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -7.814 -4.322 -10.767 1.00 0.00 H new ATOM 84 N GLN A 7 -8.903 -7.202 -4.329 1.00 0.00 N ATOM 85 CA GLN A 7 -8.140 -7.160 -3.053 1.00 0.00 C ATOM 86 C GLN A 7 -8.377 -8.456 -2.272 1.00 0.00 C ATOM 87 O GLN A 7 -7.691 -8.746 -1.312 1.00 0.00 O ATOM 88 CB GLN A 7 -8.613 -5.962 -2.224 1.00 0.00 C ATOM 89 CG GLN A 7 -8.146 -6.115 -0.775 1.00 0.00 C ATOM 90 CD GLN A 7 -9.211 -6.865 0.027 1.00 0.00 C ATOM 91 OE1 GLN A 7 -8.901 -7.775 0.769 1.00 0.00 O ATOM 92 NE2 GLN A 7 -10.464 -6.519 -0.092 1.00 0.00 N ATOM 0 H GLN A 7 -9.695 -6.561 -4.380 1.00 0.00 H new ATOM 0 HA GLN A 7 -7.075 -7.059 -3.264 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -8.219 -5.038 -2.647 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -9.700 -5.891 -2.259 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -7.201 -6.657 -0.741 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -7.967 -5.135 -0.334 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -10.725 -5.755 -0.715 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -11.182 -7.013 0.438 1.00 0.00 H new ATOM 101 N ALA A 8 -9.341 -9.237 -2.673 1.00 0.00 N ATOM 102 CA ALA A 8 -9.618 -10.511 -1.949 1.00 0.00 C ATOM 103 C ALA A 8 -8.613 -11.577 -2.388 1.00 0.00 C ATOM 104 O ALA A 8 -8.386 -12.552 -1.698 1.00 0.00 O ATOM 105 CB ALA A 8 -11.036 -10.986 -2.273 1.00 0.00 C ATOM 0 H ALA A 8 -9.949 -9.049 -3.470 1.00 0.00 H new ATOM 0 HA ALA A 8 -9.527 -10.344 -0.876 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -11.238 -11.917 -1.744 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -11.754 -10.228 -1.960 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -11.128 -11.152 -3.346 1.00 0.00 H new ATOM 111 N GLU A 9 -8.012 -11.403 -3.532 1.00 0.00 N ATOM 112 CA GLU A 9 -7.026 -12.409 -4.014 1.00 0.00 C ATOM 113 C GLU A 9 -5.677 -12.179 -3.329 1.00 0.00 C ATOM 114 O GLU A 9 -4.972 -13.111 -2.999 1.00 0.00 O ATOM 115 CB GLU A 9 -6.857 -12.270 -5.529 1.00 0.00 C ATOM 116 CG GLU A 9 -8.188 -12.569 -6.221 1.00 0.00 C ATOM 117 CD GLU A 9 -7.922 -13.041 -7.652 1.00 0.00 C ATOM 118 OE1 GLU A 9 -7.187 -12.363 -8.351 1.00 0.00 O ATOM 119 OE2 GLU A 9 -8.457 -14.073 -8.023 1.00 0.00 O ATOM 0 H GLU A 9 -8.161 -10.608 -4.153 1.00 0.00 H new ATOM 0 HA GLU A 9 -7.386 -13.410 -3.776 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -6.524 -11.262 -5.777 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -6.088 -12.956 -5.884 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -8.733 -13.335 -5.669 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -8.814 -11.677 -6.231 1.00 0.00 H new ATOM 126 N ALA A 10 -5.311 -10.946 -3.115 1.00 0.00 N ATOM 127 CA ALA A 10 -4.005 -10.660 -2.455 1.00 0.00 C ATOM 128 C ALA A 10 -4.036 -11.166 -1.012 1.00 0.00 C ATOM 129 O ALA A 10 -3.087 -11.748 -0.528 1.00 0.00 O ATOM 130 CB ALA A 10 -3.749 -9.152 -2.462 1.00 0.00 C ATOM 0 H ALA A 10 -5.859 -10.124 -3.368 1.00 0.00 H new ATOM 0 HA ALA A 10 -3.207 -11.167 -2.998 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -2.794 -8.943 -1.979 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -3.722 -8.792 -3.491 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -4.548 -8.645 -1.921 1.00 0.00 H new ATOM 136 N ARG A 11 -5.119 -10.947 -0.318 1.00 0.00 N ATOM 137 CA ARG A 11 -5.207 -11.414 1.094 1.00 0.00 C ATOM 138 C ARG A 11 -4.971 -12.925 1.151 1.00 0.00 C ATOM 139 O ARG A 11 -4.265 -13.421 2.006 1.00 0.00 O ATOM 140 CB ARG A 11 -6.594 -11.092 1.652 1.00 0.00 C ATOM 141 CG ARG A 11 -6.481 -10.762 3.141 1.00 0.00 C ATOM 142 CD ARG A 11 -7.452 -9.633 3.487 1.00 0.00 C ATOM 143 NE ARG A 11 -8.176 -9.971 4.745 1.00 0.00 N ATOM 144 CZ ARG A 11 -9.041 -9.132 5.244 1.00 0.00 C ATOM 145 NH1 ARG A 11 -9.515 -8.166 4.504 1.00 0.00 N ATOM 146 NH2 ARG A 11 -9.433 -9.258 6.481 1.00 0.00 N ATOM 0 H ARG A 11 -5.947 -10.465 -0.668 1.00 0.00 H new ATOM 0 HA ARG A 11 -4.448 -10.907 1.691 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -7.027 -10.249 1.114 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -7.262 -11.941 1.506 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -6.706 -11.646 3.738 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -5.460 -10.465 3.382 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -6.909 -8.696 3.608 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -8.163 -9.487 2.673 1.00 0.00 H new ATOM 0 HE ARG A 11 -7.995 -10.858 5.215 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -9.209 -8.068 3.536 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -10.191 -7.510 4.894 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -9.063 -10.013 7.059 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -10.109 -8.602 6.871 1.00 0.00 H new ATOM 160 N ALA A 12 -5.557 -13.661 0.247 1.00 0.00 N ATOM 161 CA ALA A 12 -5.366 -15.139 0.251 1.00 0.00 C ATOM 162 C ALA A 12 -3.882 -15.462 0.427 1.00 0.00 C ATOM 163 O ALA A 12 -3.518 -16.407 1.099 1.00 0.00 O ATOM 164 CB ALA A 12 -5.861 -15.719 -1.075 1.00 0.00 C ATOM 0 H ALA A 12 -6.160 -13.303 -0.494 1.00 0.00 H new ATOM 0 HA ALA A 12 -5.932 -15.577 1.074 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -5.722 -16.800 -1.074 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -6.919 -15.489 -1.200 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -5.295 -15.281 -1.897 1.00 0.00 H new ATOM 170 N PHE A 13 -3.021 -14.686 -0.171 1.00 0.00 N ATOM 171 CA PHE A 13 -1.561 -14.951 -0.037 1.00 0.00 C ATOM 172 C PHE A 13 -1.062 -14.397 1.299 1.00 0.00 C ATOM 173 O PHE A 13 -0.162 -14.938 1.909 1.00 0.00 O ATOM 174 CB PHE A 13 -0.810 -14.269 -1.182 1.00 0.00 C ATOM 175 CG PHE A 13 0.678 -14.411 -0.961 1.00 0.00 C ATOM 176 CD1 PHE A 13 1.322 -15.611 -1.286 1.00 0.00 C ATOM 177 CD2 PHE A 13 1.412 -13.345 -0.428 1.00 0.00 C ATOM 178 CE1 PHE A 13 2.699 -15.745 -1.079 1.00 0.00 C ATOM 179 CE2 PHE A 13 2.790 -13.477 -0.223 1.00 0.00 C ATOM 180 CZ PHE A 13 3.434 -14.678 -0.549 1.00 0.00 C ATOM 0 H PHE A 13 -3.265 -13.880 -0.747 1.00 0.00 H new ATOM 0 HA PHE A 13 -1.383 -16.026 -0.075 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -1.092 -14.718 -2.135 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -1.082 -13.215 -1.233 1.00 0.00 H new ATOM 0 HD1 PHE A 13 0.755 -16.434 -1.697 1.00 0.00 H new ATOM 0 HD2 PHE A 13 0.915 -12.420 -0.175 1.00 0.00 H new ATOM 0 HE1 PHE A 13 3.195 -16.672 -1.328 1.00 0.00 H new ATOM 0 HE2 PHE A 13 3.357 -12.654 0.186 1.00 0.00 H new ATOM 0 HZ PHE A 13 4.498 -14.780 -0.391 1.00 0.00 H new ATOM 190 N LEU A 14 -1.639 -13.319 1.757 1.00 0.00 N ATOM 191 CA LEU A 14 -1.194 -12.729 3.052 1.00 0.00 C ATOM 192 C LEU A 14 -2.002 -13.337 4.200 1.00 0.00 C ATOM 193 O LEU A 14 -2.932 -12.738 4.702 1.00 0.00 O ATOM 194 CB LEU A 14 -1.416 -11.216 3.026 1.00 0.00 C ATOM 195 CG LEU A 14 -0.745 -10.621 1.789 1.00 0.00 C ATOM 196 CD1 LEU A 14 -1.715 -9.663 1.096 1.00 0.00 C ATOM 197 CD2 LEU A 14 0.512 -9.856 2.211 1.00 0.00 C ATOM 0 H LEU A 14 -2.398 -12.822 1.291 1.00 0.00 H new ATOM 0 HA LEU A 14 -0.135 -12.943 3.199 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.483 -10.995 3.015 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -1.006 -10.762 3.928 1.00 0.00 H new ATOM 0 HG LEU A 14 -0.471 -11.422 1.102 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.238 -9.238 0.213 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.612 -10.206 0.798 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.988 -8.862 1.783 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.992 -9.431 1.330 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.237 -9.055 2.897 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.203 -10.537 2.707 1.00 0.00 H new ATOM 209 N SER A 15 -1.654 -14.521 4.624 1.00 0.00 N ATOM 210 CA SER A 15 -2.403 -15.158 5.743 1.00 0.00 C ATOM 211 C SER A 15 -2.459 -14.192 6.927 1.00 0.00 C ATOM 212 O SER A 15 -1.877 -13.125 6.896 1.00 0.00 O ATOM 213 CB SER A 15 -1.692 -16.443 6.169 1.00 0.00 C ATOM 214 OG SER A 15 -2.540 -17.555 5.916 1.00 0.00 O ATOM 0 H SER A 15 -0.885 -15.074 4.245 1.00 0.00 H new ATOM 0 HA SER A 15 -3.415 -15.396 5.415 1.00 0.00 H new ATOM 0 HB2 SER A 15 -0.756 -16.553 5.621 1.00 0.00 H new ATOM 0 HB3 SER A 15 -1.438 -16.398 7.228 1.00 0.00 H new ATOM 0 HG SER A 15 -2.086 -18.381 6.186 1.00 0.00 H new ATOM 220 N GLU A 16 -3.151 -14.554 7.971 1.00 0.00 N ATOM 221 CA GLU A 16 -3.236 -13.652 9.153 1.00 0.00 C ATOM 222 C GLU A 16 -1.850 -13.516 9.785 1.00 0.00 C ATOM 223 O GLU A 16 -1.613 -12.655 10.609 1.00 0.00 O ATOM 224 CB GLU A 16 -4.211 -14.242 10.176 1.00 0.00 C ATOM 225 CG GLU A 16 -5.246 -13.184 10.565 1.00 0.00 C ATOM 226 CD GLU A 16 -6.649 -13.789 10.488 1.00 0.00 C ATOM 227 OE1 GLU A 16 -6.747 -14.981 10.245 1.00 0.00 O ATOM 228 OE2 GLU A 16 -7.601 -13.050 10.674 1.00 0.00 O ATOM 0 H GLU A 16 -3.660 -15.434 8.057 1.00 0.00 H new ATOM 0 HA GLU A 16 -3.592 -12.670 8.840 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -4.709 -15.116 9.757 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -3.668 -14.577 11.060 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -5.050 -12.822 11.574 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -5.172 -12.325 9.898 1.00 0.00 H new ATOM 235 N GLU A 17 -0.931 -14.361 9.402 1.00 0.00 N ATOM 236 CA GLU A 17 0.441 -14.283 9.977 1.00 0.00 C ATOM 237 C GLU A 17 1.255 -13.231 9.220 1.00 0.00 C ATOM 238 O GLU A 17 2.214 -12.689 9.731 1.00 0.00 O ATOM 239 CB GLU A 17 1.124 -15.646 9.851 1.00 0.00 C ATOM 240 CG GLU A 17 1.181 -16.054 8.378 1.00 0.00 C ATOM 241 CD GLU A 17 2.439 -16.886 8.125 1.00 0.00 C ATOM 242 OE1 GLU A 17 3.457 -16.580 8.722 1.00 0.00 O ATOM 243 OE2 GLU A 17 2.361 -17.817 7.341 1.00 0.00 O ATOM 0 H GLU A 17 -1.072 -15.102 8.715 1.00 0.00 H new ATOM 0 HA GLU A 17 0.378 -14.003 11.029 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.131 -15.600 10.266 1.00 0.00 H new ATOM 0 HB3 GLU A 17 0.577 -16.393 10.425 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.293 -16.629 8.115 1.00 0.00 H new ATOM 0 HG3 GLU A 17 1.186 -15.167 7.744 1.00 0.00 H new ATOM 250 N MET A 18 0.880 -12.937 8.004 1.00 0.00 N ATOM 251 CA MET A 18 1.632 -11.920 7.218 1.00 0.00 C ATOM 252 C MET A 18 1.176 -10.519 7.631 1.00 0.00 C ATOM 253 O MET A 18 1.976 -9.630 7.841 1.00 0.00 O ATOM 254 CB MET A 18 1.359 -12.124 5.725 1.00 0.00 C ATOM 255 CG MET A 18 2.164 -13.321 5.217 1.00 0.00 C ATOM 256 SD MET A 18 3.778 -12.754 4.624 1.00 0.00 S ATOM 257 CE MET A 18 4.153 -14.187 3.584 1.00 0.00 C ATOM 0 H MET A 18 0.085 -13.358 7.522 1.00 0.00 H new ATOM 0 HA MET A 18 2.699 -12.028 7.411 1.00 0.00 H new ATOM 0 HB2 MET A 18 0.295 -12.291 5.559 1.00 0.00 H new ATOM 0 HB3 MET A 18 1.631 -11.227 5.169 1.00 0.00 H new ATOM 0 HG2 MET A 18 2.294 -14.051 6.016 1.00 0.00 H new ATOM 0 HG3 MET A 18 1.624 -13.821 4.413 1.00 0.00 H new ATOM 0 HE1 MET A 18 5.125 -14.048 3.110 1.00 0.00 H new ATOM 0 HE2 MET A 18 4.174 -15.087 4.199 1.00 0.00 H new ATOM 0 HE3 MET A 18 3.386 -14.290 2.816 1.00 0.00 H new ATOM 267 N ILE A 19 -0.109 -10.318 7.748 1.00 0.00 N ATOM 268 CA ILE A 19 -0.623 -8.978 8.148 1.00 0.00 C ATOM 269 C ILE A 19 -0.292 -8.725 9.619 1.00 0.00 C ATOM 270 O ILE A 19 0.294 -7.720 9.971 1.00 0.00 O ATOM 271 CB ILE A 19 -2.138 -8.936 7.948 1.00 0.00 C ATOM 272 CG1 ILE A 19 -2.460 -9.164 6.470 1.00 0.00 C ATOM 273 CG2 ILE A 19 -2.677 -7.573 8.385 1.00 0.00 C ATOM 274 CD1 ILE A 19 -2.710 -10.653 6.228 1.00 0.00 C ATOM 0 H ILE A 19 -0.825 -11.025 7.583 1.00 0.00 H new ATOM 0 HA ILE A 19 -0.155 -8.208 7.535 1.00 0.00 H new ATOM 0 HB ILE A 19 -2.606 -9.716 8.548 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -3.339 -8.585 6.184 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -1.634 -8.817 5.849 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -3.757 -7.546 8.241 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -2.447 -7.411 9.438 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -2.212 -6.789 7.787 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -2.940 -10.817 5.175 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -1.819 -11.220 6.498 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -3.550 -10.985 6.838 1.00 0.00 H new ATOM 286 N ALA A 20 -0.662 -9.630 10.481 1.00 0.00 N ATOM 287 CA ALA A 20 -0.365 -9.443 11.927 1.00 0.00 C ATOM 288 C ALA A 20 1.078 -8.962 12.087 1.00 0.00 C ATOM 289 O ALA A 20 1.414 -8.271 13.028 1.00 0.00 O ATOM 290 CB ALA A 20 -0.546 -10.774 12.657 1.00 0.00 C ATOM 0 H ALA A 20 -1.157 -10.490 10.246 1.00 0.00 H new ATOM 0 HA ALA A 20 -1.044 -8.703 12.350 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -0.329 -10.640 13.717 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -1.573 -11.118 12.538 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.135 -11.514 12.238 1.00 0.00 H new ATOM 296 N GLU A 21 1.935 -9.319 11.167 1.00 0.00 N ATOM 297 CA GLU A 21 3.355 -8.881 11.259 1.00 0.00 C ATOM 298 C GLU A 21 3.492 -7.482 10.656 1.00 0.00 C ATOM 299 O GLU A 21 4.162 -6.624 11.196 1.00 0.00 O ATOM 300 CB GLU A 21 4.242 -9.859 10.484 1.00 0.00 C ATOM 301 CG GLU A 21 5.713 -9.504 10.704 1.00 0.00 C ATOM 302 CD GLU A 21 6.597 -10.618 10.140 1.00 0.00 C ATOM 303 OE1 GLU A 21 6.099 -11.394 9.340 1.00 0.00 O ATOM 304 OE2 GLU A 21 7.755 -10.676 10.517 1.00 0.00 O ATOM 0 H GLU A 21 1.711 -9.895 10.356 1.00 0.00 H new ATOM 0 HA GLU A 21 3.664 -8.861 12.304 1.00 0.00 H new ATOM 0 HB2 GLU A 21 4.051 -10.880 10.815 1.00 0.00 H new ATOM 0 HB3 GLU A 21 4.003 -9.818 9.421 1.00 0.00 H new ATOM 0 HG2 GLU A 21 5.947 -8.558 10.216 1.00 0.00 H new ATOM 0 HG3 GLU A 21 5.911 -9.372 11.768 1.00 0.00 H new ATOM 311 N PHE A 22 2.859 -7.245 9.538 1.00 0.00 N ATOM 312 CA PHE A 22 2.951 -5.902 8.900 1.00 0.00 C ATOM 313 C PHE A 22 1.984 -4.938 9.593 1.00 0.00 C ATOM 314 O PHE A 22 1.803 -3.814 9.169 1.00 0.00 O ATOM 315 CB PHE A 22 2.584 -6.014 7.418 1.00 0.00 C ATOM 316 CG PHE A 22 3.388 -5.015 6.621 1.00 0.00 C ATOM 317 CD1 PHE A 22 4.787 -5.082 6.621 1.00 0.00 C ATOM 318 CD2 PHE A 22 2.736 -4.021 5.882 1.00 0.00 C ATOM 319 CE1 PHE A 22 5.532 -4.155 5.883 1.00 0.00 C ATOM 320 CE2 PHE A 22 3.481 -3.094 5.144 1.00 0.00 C ATOM 321 CZ PHE A 22 4.879 -3.161 5.144 1.00 0.00 C ATOM 0 H PHE A 22 2.283 -7.924 9.040 1.00 0.00 H new ATOM 0 HA PHE A 22 3.969 -5.525 8.995 1.00 0.00 H new ATOM 0 HB2 PHE A 22 2.781 -7.024 7.059 1.00 0.00 H new ATOM 0 HB3 PHE A 22 1.518 -5.830 7.282 1.00 0.00 H new ATOM 0 HD1 PHE A 22 5.291 -5.849 7.190 1.00 0.00 H new ATOM 0 HD2 PHE A 22 1.657 -3.969 5.881 1.00 0.00 H new ATOM 0 HE1 PHE A 22 6.611 -4.206 5.884 1.00 0.00 H new ATOM 0 HE2 PHE A 22 2.977 -2.327 4.575 1.00 0.00 H new ATOM 0 HZ PHE A 22 5.454 -2.446 4.574 1.00 0.00 H new ATOM 331 N LYS A 23 1.361 -5.367 10.657 1.00 0.00 N ATOM 332 CA LYS A 23 0.409 -4.473 11.374 1.00 0.00 C ATOM 333 C LYS A 23 1.187 -3.367 12.090 1.00 0.00 C ATOM 334 O LYS A 23 0.668 -2.300 12.354 1.00 0.00 O ATOM 335 CB LYS A 23 -0.381 -5.288 12.399 1.00 0.00 C ATOM 336 CG LYS A 23 -1.328 -4.363 13.167 1.00 0.00 C ATOM 337 CD LYS A 23 -1.187 -4.617 14.669 1.00 0.00 C ATOM 338 CE LYS A 23 -1.387 -6.105 14.957 1.00 0.00 C ATOM 339 NZ LYS A 23 -2.244 -6.266 16.166 1.00 0.00 N ATOM 0 H LYS A 23 1.470 -6.298 11.060 1.00 0.00 H new ATOM 0 HA LYS A 23 -0.279 -4.025 10.657 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -0.949 -6.071 11.897 1.00 0.00 H new ATOM 0 HB3 LYS A 23 0.302 -5.782 13.090 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -1.098 -3.322 12.941 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -2.357 -4.538 12.853 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -0.202 -4.299 15.011 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -1.921 -4.028 15.218 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -1.852 -6.593 14.101 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -0.423 -6.589 15.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -2.380 -7.278 16.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -1.783 -5.814 16.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -3.168 -5.818 15.999 1.00 0.00 H new ATOM 353 N ALA A 24 2.428 -3.612 12.408 1.00 0.00 N ATOM 354 CA ALA A 24 3.239 -2.576 13.107 1.00 0.00 C ATOM 355 C ALA A 24 3.869 -1.640 12.074 1.00 0.00 C ATOM 356 O ALA A 24 3.928 -0.441 12.261 1.00 0.00 O ATOM 357 CB ALA A 24 4.341 -3.254 13.922 1.00 0.00 C ATOM 0 H ALA A 24 2.916 -4.486 12.214 1.00 0.00 H new ATOM 0 HA ALA A 24 2.597 -2.001 13.774 1.00 0.00 H new ATOM 0 HB1 ALA A 24 4.934 -2.496 14.433 1.00 0.00 H new ATOM 0 HB2 ALA A 24 3.891 -3.920 14.658 1.00 0.00 H new ATOM 0 HB3 ALA A 24 4.984 -3.830 13.256 1.00 0.00 H new ATOM 363 N ALA A 25 4.342 -2.179 10.984 1.00 0.00 N ATOM 364 CA ALA A 25 4.968 -1.320 9.939 1.00 0.00 C ATOM 365 C ALA A 25 3.882 -0.513 9.224 1.00 0.00 C ATOM 366 O ALA A 25 4.149 0.507 8.620 1.00 0.00 O ATOM 367 CB ALA A 25 5.699 -2.201 8.924 1.00 0.00 C ATOM 0 H ALA A 25 4.322 -3.176 10.772 1.00 0.00 H new ATOM 0 HA ALA A 25 5.679 -0.639 10.407 1.00 0.00 H new ATOM 0 HB1 ALA A 25 6.157 -1.573 8.160 1.00 0.00 H new ATOM 0 HB2 ALA A 25 6.473 -2.776 9.432 1.00 0.00 H new ATOM 0 HB3 ALA A 25 4.989 -2.883 8.456 1.00 0.00 H new ATOM 373 N PHE A 26 2.657 -0.962 9.287 1.00 0.00 N ATOM 374 CA PHE A 26 1.555 -0.221 8.610 1.00 0.00 C ATOM 375 C PHE A 26 0.995 0.842 9.559 1.00 0.00 C ATOM 376 O PHE A 26 0.753 1.968 9.171 1.00 0.00 O ATOM 377 CB PHE A 26 0.442 -1.199 8.229 1.00 0.00 C ATOM 378 CG PHE A 26 -0.202 -0.752 6.940 1.00 0.00 C ATOM 379 CD1 PHE A 26 -0.687 0.556 6.818 1.00 0.00 C ATOM 380 CD2 PHE A 26 -0.311 -1.643 5.867 1.00 0.00 C ATOM 381 CE1 PHE A 26 -1.283 0.971 5.621 1.00 0.00 C ATOM 382 CE2 PHE A 26 -0.907 -1.228 4.671 1.00 0.00 C ATOM 383 CZ PHE A 26 -1.393 0.080 4.547 1.00 0.00 C ATOM 0 H PHE A 26 2.372 -1.810 9.778 1.00 0.00 H new ATOM 0 HA PHE A 26 1.941 0.261 7.711 1.00 0.00 H new ATOM 0 HB2 PHE A 26 0.849 -2.204 8.115 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -0.303 -1.246 9.023 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -0.601 1.244 7.646 1.00 0.00 H new ATOM 0 HD2 PHE A 26 0.065 -2.651 5.962 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -1.658 1.979 5.526 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -0.992 -1.916 3.843 1.00 0.00 H new ATOM 0 HZ PHE A 26 -1.852 0.401 3.624 1.00 0.00 H new ATOM 393 N ASP A 27 0.784 0.492 10.799 1.00 0.00 N ATOM 394 CA ASP A 27 0.238 1.481 11.769 1.00 0.00 C ATOM 395 C ASP A 27 1.389 2.275 12.390 1.00 0.00 C ATOM 396 O ASP A 27 1.212 2.990 13.356 1.00 0.00 O ATOM 397 CB ASP A 27 -0.526 0.745 12.872 1.00 0.00 C ATOM 398 CG ASP A 27 -1.900 0.327 12.348 1.00 0.00 C ATOM 399 OD1 ASP A 27 -1.944 -0.363 11.343 1.00 0.00 O ATOM 400 OD2 ASP A 27 -2.886 0.703 12.961 1.00 0.00 O ATOM 0 H ASP A 27 0.966 -0.436 11.181 1.00 0.00 H new ATOM 0 HA ASP A 27 -0.437 2.163 11.252 1.00 0.00 H new ATOM 0 HB2 ASP A 27 0.035 -0.133 13.194 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -0.638 1.389 13.744 1.00 0.00 H new ATOM 405 N MET A 28 2.566 2.155 11.844 1.00 0.00 N ATOM 406 CA MET A 28 3.727 2.902 12.403 1.00 0.00 C ATOM 407 C MET A 28 3.454 4.405 12.321 1.00 0.00 C ATOM 408 O MET A 28 3.481 5.105 13.314 1.00 0.00 O ATOM 409 CB MET A 28 4.985 2.567 11.598 1.00 0.00 C ATOM 410 CG MET A 28 6.219 3.086 12.338 1.00 0.00 C ATOM 411 SD MET A 28 7.256 1.688 12.834 1.00 0.00 S ATOM 412 CE MET A 28 8.131 1.487 11.262 1.00 0.00 C ATOM 0 H MET A 28 2.775 1.571 11.034 1.00 0.00 H new ATOM 0 HA MET A 28 3.875 2.616 13.444 1.00 0.00 H new ATOM 0 HB2 MET A 28 5.061 1.489 11.454 1.00 0.00 H new ATOM 0 HB3 MET A 28 4.926 3.017 10.607 1.00 0.00 H new ATOM 0 HG2 MET A 28 6.784 3.762 11.696 1.00 0.00 H new ATOM 0 HG3 MET A 28 5.917 3.658 13.215 1.00 0.00 H new ATOM 0 HE1 MET A 28 8.838 0.661 11.342 1.00 0.00 H new ATOM 0 HE2 MET A 28 7.413 1.274 10.470 1.00 0.00 H new ATOM 0 HE3 MET A 28 8.670 2.404 11.026 1.00 0.00 H new ATOM 422 N PHE A 29 3.189 4.907 11.146 1.00 0.00 N ATOM 423 CA PHE A 29 2.912 6.364 11.003 1.00 0.00 C ATOM 424 C PHE A 29 1.509 6.669 11.529 1.00 0.00 C ATOM 425 O PHE A 29 1.296 7.632 12.239 1.00 0.00 O ATOM 426 CB PHE A 29 2.999 6.758 9.527 1.00 0.00 C ATOM 427 CG PHE A 29 4.448 6.880 9.121 1.00 0.00 C ATOM 428 CD1 PHE A 29 5.240 5.732 9.001 1.00 0.00 C ATOM 429 CD2 PHE A 29 5.001 8.141 8.865 1.00 0.00 C ATOM 430 CE1 PHE A 29 6.582 5.843 8.624 1.00 0.00 C ATOM 431 CE2 PHE A 29 6.345 8.253 8.488 1.00 0.00 C ATOM 432 CZ PHE A 29 7.135 7.103 8.369 1.00 0.00 C ATOM 0 H PHE A 29 3.152 4.371 10.279 1.00 0.00 H new ATOM 0 HA PHE A 29 3.647 6.931 11.574 1.00 0.00 H new ATOM 0 HB2 PHE A 29 2.500 6.011 8.910 1.00 0.00 H new ATOM 0 HB3 PHE A 29 2.483 7.704 9.361 1.00 0.00 H new ATOM 0 HD1 PHE A 29 4.814 4.760 9.200 1.00 0.00 H new ATOM 0 HD2 PHE A 29 4.391 9.027 8.958 1.00 0.00 H new ATOM 0 HE1 PHE A 29 7.192 4.956 8.530 1.00 0.00 H new ATOM 0 HE2 PHE A 29 6.772 9.225 8.289 1.00 0.00 H new ATOM 0 HZ PHE A 29 8.172 7.189 8.080 1.00 0.00 H new ATOM 442 N ASP A 30 0.548 5.856 11.185 1.00 0.00 N ATOM 443 CA ASP A 30 -0.842 6.100 11.663 1.00 0.00 C ATOM 444 C ASP A 30 -1.178 5.115 12.785 1.00 0.00 C ATOM 445 O ASP A 30 -1.885 4.147 12.582 1.00 0.00 O ATOM 446 CB ASP A 30 -1.821 5.907 10.505 1.00 0.00 C ATOM 447 CG ASP A 30 -2.563 7.218 10.239 1.00 0.00 C ATOM 448 OD1 ASP A 30 -2.540 8.076 11.105 1.00 0.00 O ATOM 449 OD2 ASP A 30 -3.142 7.342 9.171 1.00 0.00 O ATOM 0 H ASP A 30 0.665 5.033 10.594 1.00 0.00 H new ATOM 0 HA ASP A 30 -0.922 7.120 12.040 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -1.284 5.593 9.610 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -2.532 5.116 10.744 1.00 0.00 H new ATOM 454 N ALA A 31 -0.681 5.354 13.966 1.00 0.00 N ATOM 455 CA ALA A 31 -0.976 4.432 15.100 1.00 0.00 C ATOM 456 C ALA A 31 -2.475 4.131 15.132 1.00 0.00 C ATOM 457 O ALA A 31 -2.896 3.002 14.979 1.00 0.00 O ATOM 458 CB ALA A 31 -0.561 5.093 16.416 1.00 0.00 C ATOM 0 H ALA A 31 -0.083 6.148 14.196 1.00 0.00 H new ATOM 0 HA ALA A 31 -0.420 3.504 14.969 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -0.777 4.419 17.245 1.00 0.00 H new ATOM 0 HB2 ALA A 31 0.507 5.310 16.393 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -1.117 6.021 16.548 1.00 0.00 H new ATOM 464 N ASP A 32 -3.285 5.136 15.331 1.00 0.00 N ATOM 465 CA ASP A 32 -4.756 4.910 15.374 1.00 0.00 C ATOM 466 C ASP A 32 -5.452 5.910 14.449 1.00 0.00 C ATOM 467 O ASP A 32 -6.661 6.034 14.450 1.00 0.00 O ATOM 468 CB ASP A 32 -5.260 5.102 16.807 1.00 0.00 C ATOM 469 CG ASP A 32 -6.725 4.671 16.897 1.00 0.00 C ATOM 470 OD1 ASP A 32 -7.192 4.033 15.968 1.00 0.00 O ATOM 471 OD2 ASP A 32 -7.353 4.986 17.894 1.00 0.00 O ATOM 0 H ASP A 32 -2.990 6.103 15.465 1.00 0.00 H new ATOM 0 HA ASP A 32 -4.978 3.895 15.044 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -4.655 4.515 17.498 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -5.159 6.146 17.102 1.00 0.00 H new ATOM 476 N GLY A 33 -4.700 6.626 13.657 1.00 0.00 N ATOM 477 CA GLY A 33 -5.321 7.616 12.733 1.00 0.00 C ATOM 478 C GLY A 33 -6.497 6.967 12.003 1.00 0.00 C ATOM 479 O GLY A 33 -7.645 7.205 12.322 1.00 0.00 O ATOM 0 H GLY A 33 -3.683 6.568 13.611 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -5.663 8.487 13.293 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -4.583 7.970 12.013 1.00 0.00 H new ATOM 483 N GLY A 34 -6.223 6.146 11.025 1.00 0.00 N ATOM 484 CA GLY A 34 -7.330 5.483 10.279 1.00 0.00 C ATOM 485 C GLY A 34 -6.764 4.364 9.405 1.00 0.00 C ATOM 486 O GLY A 34 -7.250 4.101 8.322 1.00 0.00 O ATOM 0 H GLY A 34 -5.282 5.906 10.711 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -8.061 5.077 10.978 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -7.852 6.212 9.660 1.00 0.00 H new ATOM 490 N GLY A 35 -5.739 3.699 9.865 1.00 0.00 N ATOM 491 CA GLY A 35 -5.143 2.595 9.062 1.00 0.00 C ATOM 492 C GLY A 35 -4.917 3.066 7.624 1.00 0.00 C ATOM 493 O GLY A 35 -5.528 2.573 6.697 1.00 0.00 O ATOM 0 H GLY A 35 -5.289 3.873 10.763 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -4.198 2.280 9.504 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -5.804 1.728 9.071 1.00 0.00 H new ATOM 497 N ASP A 36 -4.043 4.017 7.430 1.00 0.00 N ATOM 498 CA ASP A 36 -3.782 4.515 6.049 1.00 0.00 C ATOM 499 C ASP A 36 -2.715 5.611 6.091 1.00 0.00 C ATOM 500 O ASP A 36 -2.417 6.163 7.132 1.00 0.00 O ATOM 501 CB ASP A 36 -5.073 5.086 5.461 1.00 0.00 C ATOM 502 CG ASP A 36 -5.531 6.282 6.296 1.00 0.00 C ATOM 503 OD1 ASP A 36 -5.135 6.361 7.447 1.00 0.00 O ATOM 504 OD2 ASP A 36 -6.271 7.098 5.771 1.00 0.00 O ATOM 0 H ASP A 36 -3.500 4.469 8.166 1.00 0.00 H new ATOM 0 HA ASP A 36 -3.431 3.691 5.428 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -4.910 5.392 4.428 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -5.849 4.320 5.448 1.00 0.00 H new ATOM 509 N ILE A 37 -2.138 5.930 4.965 1.00 0.00 N ATOM 510 CA ILE A 37 -1.092 6.992 4.933 1.00 0.00 C ATOM 511 C ILE A 37 -1.317 7.884 3.711 1.00 0.00 C ATOM 512 O ILE A 37 -1.683 7.418 2.650 1.00 0.00 O ATOM 513 CB ILE A 37 0.292 6.346 4.853 1.00 0.00 C ATOM 514 CG1 ILE A 37 0.502 5.441 6.069 1.00 0.00 C ATOM 515 CG2 ILE A 37 1.364 7.436 4.841 1.00 0.00 C ATOM 516 CD1 ILE A 37 0.348 3.977 5.650 1.00 0.00 C ATOM 0 H ILE A 37 -2.346 5.500 4.064 1.00 0.00 H new ATOM 0 HA ILE A 37 -1.153 7.594 5.839 1.00 0.00 H new ATOM 0 HB ILE A 37 0.364 5.754 3.940 1.00 0.00 H new ATOM 0 HG12 ILE A 37 1.493 5.607 6.492 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.222 5.686 6.847 1.00 0.00 H new ATOM 0 HG21 ILE A 37 2.350 6.976 4.784 1.00 0.00 H new ATOM 0 HG22 ILE A 37 1.215 8.083 3.977 1.00 0.00 H new ATOM 0 HG23 ILE A 37 1.292 8.027 5.754 1.00 0.00 H new ATOM 0 HD11 ILE A 37 0.498 3.333 6.516 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -0.652 3.817 5.247 1.00 0.00 H new ATOM 0 HD13 ILE A 37 1.089 3.737 4.887 1.00 0.00 H new ATOM 528 N SER A 38 -1.104 9.163 3.852 1.00 0.00 N ATOM 529 CA SER A 38 -1.314 10.085 2.699 1.00 0.00 C ATOM 530 C SER A 38 -0.031 10.176 1.868 1.00 0.00 C ATOM 531 O SER A 38 0.910 9.435 2.075 1.00 0.00 O ATOM 532 CB SER A 38 -1.680 11.475 3.219 1.00 0.00 C ATOM 533 OG SER A 38 -2.292 12.221 2.175 1.00 0.00 O ATOM 0 H SER A 38 -0.794 9.610 4.715 1.00 0.00 H new ATOM 0 HA SER A 38 -2.122 9.702 2.075 1.00 0.00 H new ATOM 0 HB2 SER A 38 -2.359 11.391 4.068 1.00 0.00 H new ATOM 0 HB3 SER A 38 -0.787 11.990 3.574 1.00 0.00 H new ATOM 0 HG SER A 38 -2.530 13.112 2.506 1.00 0.00 H new ATOM 539 N THR A 39 0.009 11.080 0.927 1.00 0.00 N ATOM 540 CA THR A 39 1.226 11.225 0.078 1.00 0.00 C ATOM 541 C THR A 39 2.304 11.988 0.852 1.00 0.00 C ATOM 542 O THR A 39 3.446 12.056 0.439 1.00 0.00 O ATOM 543 CB THR A 39 0.869 11.998 -1.194 1.00 0.00 C ATOM 544 OG1 THR A 39 0.545 13.339 -0.854 1.00 0.00 O ATOM 545 CG2 THR A 39 -0.331 11.337 -1.872 1.00 0.00 C ATOM 0 H THR A 39 -0.750 11.726 0.709 1.00 0.00 H new ATOM 0 HA THR A 39 1.602 10.237 -0.188 1.00 0.00 H new ATOM 0 HB THR A 39 1.719 11.991 -1.877 1.00 0.00 H new ATOM 0 HG1 THR A 39 0.318 13.837 -1.667 1.00 0.00 H new ATOM 0 HG21 THR A 39 -0.586 11.887 -2.778 1.00 0.00 H new ATOM 0 HG22 THR A 39 -0.082 10.308 -2.130 1.00 0.00 H new ATOM 0 HG23 THR A 39 -1.183 11.344 -1.192 1.00 0.00 H new ATOM 553 N LYS A 40 1.952 12.563 1.968 1.00 0.00 N ATOM 554 CA LYS A 40 2.957 13.323 2.764 1.00 0.00 C ATOM 555 C LYS A 40 4.038 12.370 3.275 1.00 0.00 C ATOM 556 O LYS A 40 5.214 12.563 3.033 1.00 0.00 O ATOM 557 CB LYS A 40 2.265 13.992 3.953 1.00 0.00 C ATOM 558 CG LYS A 40 3.184 15.065 4.539 1.00 0.00 C ATOM 559 CD LYS A 40 2.796 15.333 5.994 1.00 0.00 C ATOM 560 CE LYS A 40 3.913 14.846 6.918 1.00 0.00 C ATOM 561 NZ LYS A 40 3.419 14.824 8.324 1.00 0.00 N ATOM 0 H LYS A 40 1.012 12.540 2.364 1.00 0.00 H new ATOM 0 HA LYS A 40 3.416 14.084 2.133 1.00 0.00 H new ATOM 0 HB2 LYS A 40 1.323 14.439 3.635 1.00 0.00 H new ATOM 0 HB3 LYS A 40 2.025 13.249 4.713 1.00 0.00 H new ATOM 0 HG2 LYS A 40 4.223 14.739 4.483 1.00 0.00 H new ATOM 0 HG3 LYS A 40 3.106 15.983 3.956 1.00 0.00 H new ATOM 0 HD2 LYS A 40 2.623 16.399 6.145 1.00 0.00 H new ATOM 0 HD3 LYS A 40 1.863 14.822 6.233 1.00 0.00 H new ATOM 0 HE2 LYS A 40 4.238 13.849 6.620 1.00 0.00 H new ATOM 0 HE3 LYS A 40 4.780 15.502 6.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 4.178 14.493 8.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 3.129 15.782 8.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 2.605 14.181 8.396 1.00 0.00 H new ATOM 575 N GLU A 41 3.653 11.345 3.986 1.00 0.00 N ATOM 576 CA GLU A 41 4.663 10.385 4.517 1.00 0.00 C ATOM 577 C GLU A 41 4.915 9.278 3.492 1.00 0.00 C ATOM 578 O GLU A 41 5.893 8.561 3.568 1.00 0.00 O ATOM 579 CB GLU A 41 4.141 9.768 5.815 1.00 0.00 C ATOM 580 CG GLU A 41 4.310 10.768 6.960 1.00 0.00 C ATOM 581 CD GLU A 41 2.942 11.095 7.559 1.00 0.00 C ATOM 582 OE1 GLU A 41 2.102 11.594 6.829 1.00 0.00 O ATOM 583 OE2 GLU A 41 2.757 10.842 8.738 1.00 0.00 O ATOM 0 H GLU A 41 2.684 11.131 4.222 1.00 0.00 H new ATOM 0 HA GLU A 41 5.596 10.913 4.711 1.00 0.00 H new ATOM 0 HB2 GLU A 41 3.090 9.499 5.705 1.00 0.00 H new ATOM 0 HB3 GLU A 41 4.684 8.849 6.037 1.00 0.00 H new ATOM 0 HG2 GLU A 41 4.964 10.352 7.726 1.00 0.00 H new ATOM 0 HG3 GLU A 41 4.786 11.678 6.595 1.00 0.00 H new ATOM 590 N LEU A 42 4.042 9.131 2.534 1.00 0.00 N ATOM 591 CA LEU A 42 4.237 8.067 1.508 1.00 0.00 C ATOM 592 C LEU A 42 5.332 8.496 0.529 1.00 0.00 C ATOM 593 O LEU A 42 5.895 7.687 -0.180 1.00 0.00 O ATOM 594 CB LEU A 42 2.929 7.850 0.745 1.00 0.00 C ATOM 595 CG LEU A 42 3.143 6.804 -0.350 1.00 0.00 C ATOM 596 CD1 LEU A 42 2.237 5.599 -0.089 1.00 0.00 C ATOM 597 CD2 LEU A 42 2.799 7.414 -1.711 1.00 0.00 C ATOM 0 H LEU A 42 3.204 9.700 2.417 1.00 0.00 H new ATOM 0 HA LEU A 42 4.531 7.139 1.998 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.147 7.521 1.429 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.593 8.789 0.305 1.00 0.00 H new ATOM 0 HG LEU A 42 4.185 6.483 -0.347 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.389 4.853 -0.869 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.480 5.164 0.881 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.195 5.920 -0.092 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.951 6.669 -2.492 1.00 0.00 H new ATOM 0 HD22 LEU A 42 1.757 7.735 -1.713 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.443 8.273 -1.898 1.00 0.00 H new ATOM 609 N GLY A 43 5.638 9.764 0.485 1.00 0.00 N ATOM 610 CA GLY A 43 6.697 10.242 -0.448 1.00 0.00 C ATOM 611 C GLY A 43 8.034 10.311 0.290 1.00 0.00 C ATOM 612 O GLY A 43 9.080 10.052 -0.271 1.00 0.00 O ATOM 0 H GLY A 43 5.201 10.489 1.054 1.00 0.00 H new ATOM 0 HA2 GLY A 43 6.775 9.569 -1.302 1.00 0.00 H new ATOM 0 HA3 GLY A 43 6.435 11.225 -0.840 1.00 0.00 H new ATOM 616 N THR A 44 8.009 10.658 1.548 1.00 0.00 N ATOM 617 CA THR A 44 9.278 10.743 2.322 1.00 0.00 C ATOM 618 C THR A 44 9.600 9.374 2.923 1.00 0.00 C ATOM 619 O THR A 44 10.665 9.160 3.466 1.00 0.00 O ATOM 620 CB THR A 44 9.124 11.770 3.446 1.00 0.00 C ATOM 621 OG1 THR A 44 8.251 11.253 4.441 1.00 0.00 O ATOM 622 CG2 THR A 44 8.543 13.066 2.878 1.00 0.00 C ATOM 0 H THR A 44 7.164 10.886 2.072 1.00 0.00 H new ATOM 0 HA THR A 44 10.087 11.049 1.660 1.00 0.00 H new ATOM 0 HB THR A 44 10.099 11.975 3.889 1.00 0.00 H new ATOM 0 HG1 THR A 44 8.153 11.909 5.163 1.00 0.00 H new ATOM 0 HG21 THR A 44 8.433 13.797 3.679 1.00 0.00 H new ATOM 0 HG22 THR A 44 9.213 13.461 2.115 1.00 0.00 H new ATOM 0 HG23 THR A 44 7.568 12.864 2.435 1.00 0.00 H new ATOM 630 N VAL A 45 8.691 8.442 2.831 1.00 0.00 N ATOM 631 CA VAL A 45 8.956 7.091 3.398 1.00 0.00 C ATOM 632 C VAL A 45 9.906 6.330 2.471 1.00 0.00 C ATOM 633 O VAL A 45 10.911 5.797 2.899 1.00 0.00 O ATOM 634 CB VAL A 45 7.640 6.321 3.542 1.00 0.00 C ATOM 635 CG1 VAL A 45 6.966 6.182 2.175 1.00 0.00 C ATOM 636 CG2 VAL A 45 7.924 4.930 4.113 1.00 0.00 C ATOM 0 H VAL A 45 7.779 8.558 2.389 1.00 0.00 H new ATOM 0 HA VAL A 45 9.415 7.193 4.381 1.00 0.00 H new ATOM 0 HB VAL A 45 6.978 6.866 4.215 1.00 0.00 H new ATOM 0 HG11 VAL A 45 6.031 5.633 2.285 1.00 0.00 H new ATOM 0 HG12 VAL A 45 6.760 7.172 1.768 1.00 0.00 H new ATOM 0 HG13 VAL A 45 7.626 5.641 1.497 1.00 0.00 H new ATOM 0 HG21 VAL A 45 6.988 4.381 4.216 1.00 0.00 H new ATOM 0 HG22 VAL A 45 8.590 4.389 3.440 1.00 0.00 H new ATOM 0 HG23 VAL A 45 8.397 5.027 5.090 1.00 0.00 H new ATOM 646 N MET A 46 9.605 6.283 1.201 1.00 0.00 N ATOM 647 CA MET A 46 10.502 5.569 0.252 1.00 0.00 C ATOM 648 C MET A 46 11.530 6.557 -0.302 1.00 0.00 C ATOM 649 O MET A 46 12.632 6.191 -0.659 1.00 0.00 O ATOM 650 CB MET A 46 9.675 4.988 -0.897 1.00 0.00 C ATOM 651 CG MET A 46 8.785 6.081 -1.492 1.00 0.00 C ATOM 652 SD MET A 46 8.437 5.699 -3.225 1.00 0.00 S ATOM 653 CE MET A 46 6.816 4.936 -2.967 1.00 0.00 C ATOM 0 H MET A 46 8.778 6.708 0.782 1.00 0.00 H new ATOM 0 HA MET A 46 11.014 4.758 0.769 1.00 0.00 H new ATOM 0 HB2 MET A 46 10.334 4.584 -1.665 1.00 0.00 H new ATOM 0 HB3 MET A 46 9.062 4.162 -0.536 1.00 0.00 H new ATOM 0 HG2 MET A 46 7.854 6.152 -0.930 1.00 0.00 H new ATOM 0 HG3 MET A 46 9.279 7.049 -1.414 1.00 0.00 H new ATOM 0 HE1 MET A 46 6.407 4.618 -3.926 1.00 0.00 H new ATOM 0 HE2 MET A 46 6.921 4.071 -2.313 1.00 0.00 H new ATOM 0 HE3 MET A 46 6.143 5.659 -2.507 1.00 0.00 H new ATOM 663 N ARG A 47 11.173 7.811 -0.374 1.00 0.00 N ATOM 664 CA ARG A 47 12.121 8.830 -0.901 1.00 0.00 C ATOM 665 C ARG A 47 12.975 9.373 0.247 1.00 0.00 C ATOM 666 O ARG A 47 13.677 10.354 0.103 1.00 0.00 O ATOM 667 CB ARG A 47 11.333 9.977 -1.540 1.00 0.00 C ATOM 668 CG ARG A 47 12.192 10.659 -2.605 1.00 0.00 C ATOM 669 CD ARG A 47 12.361 9.724 -3.804 1.00 0.00 C ATOM 670 NE ARG A 47 11.680 10.310 -4.991 1.00 0.00 N ATOM 671 CZ ARG A 47 10.531 9.834 -5.386 1.00 0.00 C ATOM 672 NH1 ARG A 47 9.453 10.071 -4.692 1.00 0.00 N ATOM 673 NH2 ARG A 47 10.461 9.117 -6.474 1.00 0.00 N ATOM 0 H ARG A 47 10.263 8.173 -0.089 1.00 0.00 H new ATOM 0 HA ARG A 47 12.768 8.373 -1.650 1.00 0.00 H new ATOM 0 HB2 ARG A 47 10.415 9.596 -1.988 1.00 0.00 H new ATOM 0 HB3 ARG A 47 11.040 10.699 -0.778 1.00 0.00 H new ATOM 0 HG2 ARG A 47 11.725 11.592 -2.921 1.00 0.00 H new ATOM 0 HG3 ARG A 47 13.167 10.916 -2.191 1.00 0.00 H new ATOM 0 HD2 ARG A 47 13.420 9.575 -4.016 1.00 0.00 H new ATOM 0 HD3 ARG A 47 11.940 8.744 -3.577 1.00 0.00 H new ATOM 0 HE ARG A 47 12.112 11.084 -5.496 1.00 0.00 H new ATOM 0 HH11 ARG A 47 9.507 10.629 -3.840 1.00 0.00 H new ATOM 0 HH12 ARG A 47 8.555 9.699 -5.001 1.00 0.00 H new ATOM 0 HH21 ARG A 47 11.304 8.929 -7.016 1.00 0.00 H new ATOM 0 HH22 ARG A 47 9.563 8.745 -6.783 1.00 0.00 H new ATOM 687 N MET A 48 12.921 8.740 1.388 1.00 0.00 N ATOM 688 CA MET A 48 13.730 9.217 2.545 1.00 0.00 C ATOM 689 C MET A 48 15.212 9.212 2.167 1.00 0.00 C ATOM 690 O MET A 48 15.927 10.167 2.399 1.00 0.00 O ATOM 691 CB MET A 48 13.507 8.288 3.741 1.00 0.00 C ATOM 692 CG MET A 48 14.138 8.902 4.992 1.00 0.00 C ATOM 693 SD MET A 48 15.372 7.762 5.666 1.00 0.00 S ATOM 694 CE MET A 48 14.261 6.363 5.946 1.00 0.00 C ATOM 0 H MET A 48 12.351 7.913 1.568 1.00 0.00 H new ATOM 0 HA MET A 48 13.425 10.230 2.809 1.00 0.00 H new ATOM 0 HB2 MET A 48 12.440 8.132 3.899 1.00 0.00 H new ATOM 0 HB3 MET A 48 13.946 7.311 3.542 1.00 0.00 H new ATOM 0 HG2 MET A 48 14.604 9.856 4.746 1.00 0.00 H new ATOM 0 HG3 MET A 48 13.369 9.105 5.738 1.00 0.00 H new ATOM 0 HE1 MET A 48 14.558 5.839 6.855 1.00 0.00 H new ATOM 0 HE2 MET A 48 13.239 6.726 6.054 1.00 0.00 H new ATOM 0 HE3 MET A 48 14.316 5.679 5.099 1.00 0.00 H new ATOM 704 N LEU A 49 15.681 8.139 1.588 1.00 0.00 N ATOM 705 CA LEU A 49 17.119 8.069 1.198 1.00 0.00 C ATOM 706 C LEU A 49 17.291 8.633 -0.214 1.00 0.00 C ATOM 707 O LEU A 49 18.046 8.113 -1.011 1.00 0.00 O ATOM 708 CB LEU A 49 17.597 6.611 1.220 1.00 0.00 C ATOM 709 CG LEU A 49 16.694 5.775 2.132 1.00 0.00 C ATOM 710 CD1 LEU A 49 15.615 5.089 1.293 1.00 0.00 C ATOM 711 CD2 LEU A 49 17.534 4.713 2.846 1.00 0.00 C ATOM 0 H LEU A 49 15.131 7.309 1.368 1.00 0.00 H new ATOM 0 HA LEU A 49 17.709 8.653 1.905 1.00 0.00 H new ATOM 0 HB2 LEU A 49 17.586 6.201 0.210 1.00 0.00 H new ATOM 0 HB3 LEU A 49 18.627 6.563 1.572 1.00 0.00 H new ATOM 0 HG LEU A 49 16.223 6.424 2.870 1.00 0.00 H new ATOM 0 HD11 LEU A 49 14.973 4.494 1.942 1.00 0.00 H new ATOM 0 HD12 LEU A 49 15.016 5.844 0.783 1.00 0.00 H new ATOM 0 HD13 LEU A 49 16.086 4.440 0.555 1.00 0.00 H new ATOM 0 HD21 LEU A 49 16.892 4.118 3.495 1.00 0.00 H new ATOM 0 HD22 LEU A 49 18.005 4.064 2.107 1.00 0.00 H new ATOM 0 HD23 LEU A 49 18.304 5.200 3.445 1.00 0.00 H new ATOM 723 N GLY A 50 16.596 9.690 -0.532 1.00 0.00 N ATOM 724 CA GLY A 50 16.724 10.280 -1.894 1.00 0.00 C ATOM 725 C GLY A 50 16.659 11.805 -1.808 1.00 0.00 C ATOM 726 O GLY A 50 17.589 12.453 -1.372 1.00 0.00 O ATOM 0 H GLY A 50 15.946 10.170 0.091 1.00 0.00 H new ATOM 0 HA2 GLY A 50 17.667 9.972 -2.346 1.00 0.00 H new ATOM 0 HA3 GLY A 50 15.926 9.909 -2.537 1.00 0.00 H new ATOM 730 N GLN A 51 15.566 12.383 -2.223 1.00 0.00 N ATOM 731 CA GLN A 51 15.435 13.868 -2.172 1.00 0.00 C ATOM 732 C GLN A 51 14.025 14.210 -1.737 1.00 0.00 C ATOM 733 O GLN A 51 13.110 13.444 -1.962 1.00 0.00 O ATOM 734 CB GLN A 51 15.627 14.461 -3.570 1.00 0.00 C ATOM 735 CG GLN A 51 16.323 13.455 -4.489 1.00 0.00 C ATOM 736 CD GLN A 51 17.747 13.192 -3.991 1.00 0.00 C ATOM 737 OE1 GLN A 51 18.248 12.092 -4.110 1.00 0.00 O ATOM 738 NE2 GLN A 51 18.426 14.159 -3.436 1.00 0.00 N ATOM 0 H GLN A 51 14.755 11.890 -2.597 1.00 0.00 H new ATOM 0 HA GLN A 51 16.182 14.266 -1.485 1.00 0.00 H new ATOM 0 HB2 GLN A 51 14.660 14.737 -3.990 1.00 0.00 H new ATOM 0 HB3 GLN A 51 16.219 15.374 -3.506 1.00 0.00 H new ATOM 0 HG2 GLN A 51 15.759 12.522 -4.515 1.00 0.00 H new ATOM 0 HG3 GLN A 51 16.350 13.839 -5.509 1.00 0.00 H new ATOM 0 HE21 GLN A 51 18.007 15.084 -3.335 1.00 0.00 H new ATOM 0 HE22 GLN A 51 19.375 13.990 -3.103 1.00 0.00 H new ATOM 747 N ASN A 52 13.797 15.357 -1.163 1.00 0.00 N ATOM 748 CA ASN A 52 12.396 15.647 -0.818 1.00 0.00 C ATOM 749 C ASN A 52 11.665 15.717 -2.158 1.00 0.00 C ATOM 750 O ASN A 52 12.094 16.423 -3.048 1.00 0.00 O ATOM 751 CB ASN A 52 12.303 16.998 -0.106 1.00 0.00 C ATOM 752 CG ASN A 52 13.198 16.986 1.135 1.00 0.00 C ATOM 753 OD1 ASN A 52 13.004 16.188 2.031 1.00 0.00 O ATOM 754 ND2 ASN A 52 14.176 17.845 1.227 1.00 0.00 N ATOM 0 H ASN A 52 14.488 16.070 -0.930 1.00 0.00 H new ATOM 0 HA ASN A 52 11.971 14.894 -0.154 1.00 0.00 H new ATOM 0 HB2 ASN A 52 12.609 17.798 -0.780 1.00 0.00 H new ATOM 0 HB3 ASN A 52 11.271 17.200 0.180 1.00 0.00 H new ATOM 0 HD21 ASN A 52 14.778 17.847 2.051 1.00 0.00 H new ATOM 0 HD22 ASN A 52 14.339 18.515 0.475 1.00 0.00 H new ATOM 761 N PRO A 53 10.599 14.990 -2.278 1.00 0.00 N ATOM 762 CA PRO A 53 9.813 14.958 -3.512 1.00 0.00 C ATOM 763 C PRO A 53 8.698 16.008 -3.479 1.00 0.00 C ATOM 764 O PRO A 53 8.571 16.768 -2.541 1.00 0.00 O ATOM 765 CB PRO A 53 9.237 13.544 -3.499 1.00 0.00 C ATOM 766 CG PRO A 53 9.234 13.085 -2.017 1.00 0.00 C ATOM 767 CD PRO A 53 10.104 14.080 -1.234 1.00 0.00 C ATOM 0 HA PRO A 53 10.395 15.182 -4.406 1.00 0.00 H new ATOM 0 HB2 PRO A 53 8.228 13.532 -3.911 1.00 0.00 H new ATOM 0 HB3 PRO A 53 9.840 12.874 -4.112 1.00 0.00 H new ATOM 0 HG2 PRO A 53 8.218 13.067 -1.621 1.00 0.00 H new ATOM 0 HG3 PRO A 53 9.629 12.073 -1.926 1.00 0.00 H new ATOM 0 HD2 PRO A 53 9.526 14.611 -0.478 1.00 0.00 H new ATOM 0 HD3 PRO A 53 10.922 13.579 -0.716 1.00 0.00 H new ATOM 775 N THR A 54 7.887 16.051 -4.501 1.00 0.00 N ATOM 776 CA THR A 54 6.779 17.042 -4.540 1.00 0.00 C ATOM 777 C THR A 54 5.481 16.362 -4.105 1.00 0.00 C ATOM 778 O THR A 54 5.367 15.154 -4.132 1.00 0.00 O ATOM 779 CB THR A 54 6.615 17.565 -5.969 1.00 0.00 C ATOM 780 OG1 THR A 54 7.882 17.959 -6.476 1.00 0.00 O ATOM 781 CG2 THR A 54 5.664 18.762 -5.976 1.00 0.00 C ATOM 0 H THR A 54 7.946 15.438 -5.314 1.00 0.00 H new ATOM 0 HA THR A 54 7.006 17.871 -3.869 1.00 0.00 H new ATOM 0 HB THR A 54 6.201 16.776 -6.597 1.00 0.00 H new ATOM 0 HG1 THR A 54 7.779 18.293 -7.392 1.00 0.00 H new ATOM 0 HG21 THR A 54 5.551 19.131 -6.995 1.00 0.00 H new ATOM 0 HG22 THR A 54 4.691 18.456 -5.590 1.00 0.00 H new ATOM 0 HG23 THR A 54 6.071 19.554 -5.347 1.00 0.00 H new ATOM 789 N LYS A 55 4.500 17.125 -3.711 1.00 0.00 N ATOM 790 CA LYS A 55 3.211 16.513 -3.285 1.00 0.00 C ATOM 791 C LYS A 55 2.516 15.904 -4.499 1.00 0.00 C ATOM 792 O LYS A 55 1.772 14.948 -4.388 1.00 0.00 O ATOM 793 CB LYS A 55 2.309 17.589 -2.685 1.00 0.00 C ATOM 794 CG LYS A 55 0.956 16.975 -2.321 1.00 0.00 C ATOM 795 CD LYS A 55 -0.137 17.600 -3.190 1.00 0.00 C ATOM 796 CE LYS A 55 -1.122 16.515 -3.633 1.00 0.00 C ATOM 797 NZ LYS A 55 -2.375 16.628 -2.835 1.00 0.00 N ATOM 0 H LYS A 55 4.535 18.143 -3.666 1.00 0.00 H new ATOM 0 HA LYS A 55 3.406 15.740 -2.542 1.00 0.00 H new ATOM 0 HB2 LYS A 55 2.776 18.018 -1.798 1.00 0.00 H new ATOM 0 HB3 LYS A 55 2.171 18.402 -3.398 1.00 0.00 H new ATOM 0 HG2 LYS A 55 0.982 15.896 -2.471 1.00 0.00 H new ATOM 0 HG3 LYS A 55 0.739 17.145 -1.266 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -0.661 18.375 -2.631 1.00 0.00 H new ATOM 0 HD3 LYS A 55 0.307 18.080 -4.062 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -1.343 16.621 -4.695 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -0.679 15.529 -3.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -3.045 15.891 -3.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -2.156 16.507 -1.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -2.800 17.565 -2.987 1.00 0.00 H new ATOM 811 N GLU A 56 2.746 16.453 -5.658 1.00 0.00 N ATOM 812 CA GLU A 56 2.089 15.910 -6.877 1.00 0.00 C ATOM 813 C GLU A 56 2.956 14.797 -7.467 1.00 0.00 C ATOM 814 O GLU A 56 2.516 14.029 -8.300 1.00 0.00 O ATOM 815 CB GLU A 56 1.915 17.023 -7.916 1.00 0.00 C ATOM 816 CG GLU A 56 1.851 18.385 -7.216 1.00 0.00 C ATOM 817 CD GLU A 56 1.087 19.376 -8.095 1.00 0.00 C ATOM 818 OE1 GLU A 56 1.150 19.236 -9.306 1.00 0.00 O ATOM 819 OE2 GLU A 56 0.450 20.258 -7.543 1.00 0.00 O ATOM 0 H GLU A 56 3.360 17.253 -5.813 1.00 0.00 H new ATOM 0 HA GLU A 56 1.110 15.512 -6.610 1.00 0.00 H new ATOM 0 HB2 GLU A 56 2.745 17.006 -8.622 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.004 16.857 -8.491 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.358 18.286 -6.249 1.00 0.00 H new ATOM 0 HG3 GLU A 56 2.858 18.755 -7.024 1.00 0.00 H new ATOM 826 N GLU A 57 4.185 14.706 -7.042 1.00 0.00 N ATOM 827 CA GLU A 57 5.082 13.645 -7.579 1.00 0.00 C ATOM 828 C GLU A 57 4.612 12.277 -7.078 1.00 0.00 C ATOM 829 O GLU A 57 4.749 11.276 -7.754 1.00 0.00 O ATOM 830 CB GLU A 57 6.514 13.900 -7.104 1.00 0.00 C ATOM 831 CG GLU A 57 7.488 13.085 -7.957 1.00 0.00 C ATOM 832 CD GLU A 57 8.921 13.525 -7.653 1.00 0.00 C ATOM 833 OE1 GLU A 57 9.114 14.694 -7.367 1.00 0.00 O ATOM 834 OE2 GLU A 57 9.803 12.683 -7.713 1.00 0.00 O ATOM 0 H GLU A 57 4.607 15.320 -6.346 1.00 0.00 H new ATOM 0 HA GLU A 57 5.053 13.661 -8.668 1.00 0.00 H new ATOM 0 HB2 GLU A 57 6.749 14.962 -7.179 1.00 0.00 H new ATOM 0 HB3 GLU A 57 6.615 13.624 -6.054 1.00 0.00 H new ATOM 0 HG2 GLU A 57 7.370 12.022 -7.747 1.00 0.00 H new ATOM 0 HG3 GLU A 57 7.269 13.228 -9.015 1.00 0.00 H new ATOM 841 N LEU A 58 4.058 12.227 -5.897 1.00 0.00 N ATOM 842 CA LEU A 58 3.578 10.926 -5.350 1.00 0.00 C ATOM 843 C LEU A 58 2.166 10.643 -5.869 1.00 0.00 C ATOM 844 O LEU A 58 1.651 9.552 -5.729 1.00 0.00 O ATOM 845 CB LEU A 58 3.558 10.997 -3.822 1.00 0.00 C ATOM 846 CG LEU A 58 4.990 11.138 -3.303 1.00 0.00 C ATOM 847 CD1 LEU A 58 5.873 10.064 -3.940 1.00 0.00 C ATOM 848 CD2 LEU A 58 5.528 12.521 -3.670 1.00 0.00 C ATOM 0 H LEU A 58 3.917 13.032 -5.287 1.00 0.00 H new ATOM 0 HA LEU A 58 4.246 10.126 -5.669 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.955 11.844 -3.494 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.097 10.099 -3.411 1.00 0.00 H new ATOM 0 HG LEU A 58 4.997 11.018 -2.220 1.00 0.00 H new ATOM 0 HD11 LEU A 58 6.893 10.165 -3.570 1.00 0.00 H new ATOM 0 HD12 LEU A 58 5.489 9.077 -3.681 1.00 0.00 H new ATOM 0 HD13 LEU A 58 5.867 10.183 -5.023 1.00 0.00 H new ATOM 0 HD21 LEU A 58 6.549 12.624 -3.301 1.00 0.00 H new ATOM 0 HD22 LEU A 58 5.520 12.639 -4.754 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.899 13.288 -3.217 1.00 0.00 H new ATOM 860 N ASP A 59 1.538 11.615 -6.470 1.00 0.00 N ATOM 861 CA ASP A 59 0.163 11.396 -7.000 1.00 0.00 C ATOM 862 C ASP A 59 0.223 10.408 -8.167 1.00 0.00 C ATOM 863 O ASP A 59 -0.779 9.864 -8.587 1.00 0.00 O ATOM 864 CB ASP A 59 -0.418 12.725 -7.486 1.00 0.00 C ATOM 865 CG ASP A 59 -1.843 12.887 -6.953 1.00 0.00 C ATOM 866 OD1 ASP A 59 -2.162 12.242 -5.968 1.00 0.00 O ATOM 867 OD2 ASP A 59 -2.592 13.652 -7.540 1.00 0.00 O ATOM 0 H ASP A 59 1.917 12.551 -6.617 1.00 0.00 H new ATOM 0 HA ASP A 59 -0.471 10.993 -6.211 1.00 0.00 H new ATOM 0 HB2 ASP A 59 0.205 13.552 -7.145 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -0.421 12.756 -8.576 1.00 0.00 H new ATOM 872 N ALA A 60 1.394 10.168 -8.693 1.00 0.00 N ATOM 873 CA ALA A 60 1.521 9.213 -9.828 1.00 0.00 C ATOM 874 C ALA A 60 1.418 7.783 -9.296 1.00 0.00 C ATOM 875 O ALA A 60 0.659 6.975 -9.794 1.00 0.00 O ATOM 876 CB ALA A 60 2.876 9.408 -10.510 1.00 0.00 C ATOM 0 H ALA A 60 2.268 10.593 -8.384 1.00 0.00 H new ATOM 0 HA ALA A 60 0.724 9.393 -10.550 1.00 0.00 H new ATOM 0 HB1 ALA A 60 2.969 8.709 -11.341 1.00 0.00 H new ATOM 0 HB2 ALA A 60 2.951 10.429 -10.885 1.00 0.00 H new ATOM 0 HB3 ALA A 60 3.675 9.226 -9.791 1.00 0.00 H new ATOM 882 N ILE A 61 2.174 7.468 -8.280 1.00 0.00 N ATOM 883 CA ILE A 61 2.119 6.093 -7.706 1.00 0.00 C ATOM 884 C ILE A 61 0.794 5.911 -6.970 1.00 0.00 C ATOM 885 O ILE A 61 0.314 4.810 -6.794 1.00 0.00 O ATOM 886 CB ILE A 61 3.270 5.902 -6.716 1.00 0.00 C ATOM 887 CG1 ILE A 61 4.474 6.725 -7.160 1.00 0.00 C ATOM 888 CG2 ILE A 61 3.663 4.432 -6.656 1.00 0.00 C ATOM 889 CD1 ILE A 61 4.575 7.962 -6.278 1.00 0.00 C ATOM 0 H ILE A 61 2.828 8.103 -7.822 1.00 0.00 H new ATOM 0 HA ILE A 61 2.204 5.361 -8.509 1.00 0.00 H new ATOM 0 HB ILE A 61 2.945 6.232 -5.729 1.00 0.00 H new ATOM 0 HG12 ILE A 61 5.385 6.132 -7.084 1.00 0.00 H new ATOM 0 HG13 ILE A 61 4.368 7.015 -8.206 1.00 0.00 H new ATOM 0 HG21 ILE A 61 4.483 4.303 -5.949 1.00 0.00 H new ATOM 0 HG22 ILE A 61 2.808 3.840 -6.331 1.00 0.00 H new ATOM 0 HG23 ILE A 61 3.980 4.100 -7.644 1.00 0.00 H new ATOM 0 HD11 ILE A 61 5.433 8.559 -6.586 1.00 0.00 H new ATOM 0 HD12 ILE A 61 3.666 8.555 -6.377 1.00 0.00 H new ATOM 0 HD13 ILE A 61 4.699 7.659 -5.238 1.00 0.00 H new ATOM 901 N ILE A 62 0.204 6.987 -6.530 1.00 0.00 N ATOM 902 CA ILE A 62 -1.084 6.879 -5.798 1.00 0.00 C ATOM 903 C ILE A 62 -2.216 6.598 -6.790 1.00 0.00 C ATOM 904 O ILE A 62 -3.205 5.975 -6.458 1.00 0.00 O ATOM 905 CB ILE A 62 -1.359 8.190 -5.054 1.00 0.00 C ATOM 906 CG1 ILE A 62 -0.468 8.262 -3.812 1.00 0.00 C ATOM 907 CG2 ILE A 62 -2.828 8.245 -4.624 1.00 0.00 C ATOM 908 CD1 ILE A 62 -0.908 7.195 -2.806 1.00 0.00 C ATOM 0 H ILE A 62 0.560 7.936 -6.647 1.00 0.00 H new ATOM 0 HA ILE A 62 -1.027 6.062 -5.079 1.00 0.00 H new ATOM 0 HB ILE A 62 -1.144 9.030 -5.714 1.00 0.00 H new ATOM 0 HG12 ILE A 62 0.575 8.107 -4.090 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -0.534 9.252 -3.361 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -3.018 9.179 -4.096 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -3.467 8.190 -5.505 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -3.046 7.405 -3.965 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -0.274 7.246 -1.921 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -1.945 7.370 -2.520 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.819 6.208 -3.260 1.00 0.00 H new ATOM 920 N GLU A 63 -2.085 7.057 -8.005 1.00 0.00 N ATOM 921 CA GLU A 63 -3.159 6.820 -9.012 1.00 0.00 C ATOM 922 C GLU A 63 -3.071 5.384 -9.536 1.00 0.00 C ATOM 923 O GLU A 63 -3.994 4.880 -10.143 1.00 0.00 O ATOM 924 CB GLU A 63 -2.991 7.796 -10.179 1.00 0.00 C ATOM 925 CG GLU A 63 -4.281 7.836 -11.001 1.00 0.00 C ATOM 926 CD GLU A 63 -4.997 9.167 -10.764 1.00 0.00 C ATOM 927 OE1 GLU A 63 -5.085 9.574 -9.618 1.00 0.00 O ATOM 928 OE2 GLU A 63 -5.444 9.757 -11.734 1.00 0.00 O ATOM 0 H GLU A 63 -1.281 7.586 -8.344 1.00 0.00 H new ATOM 0 HA GLU A 63 -4.130 6.975 -8.542 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -2.756 8.792 -9.803 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -2.156 7.487 -10.808 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -4.053 7.717 -12.060 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -4.930 7.007 -10.719 1.00 0.00 H new ATOM 935 N GLU A 64 -1.969 4.723 -9.312 1.00 0.00 N ATOM 936 CA GLU A 64 -1.831 3.323 -9.806 1.00 0.00 C ATOM 937 C GLU A 64 -2.376 2.349 -8.755 1.00 0.00 C ATOM 938 O GLU A 64 -2.197 1.152 -8.855 1.00 0.00 O ATOM 939 CB GLU A 64 -0.355 3.019 -10.079 1.00 0.00 C ATOM 940 CG GLU A 64 0.383 2.788 -8.757 1.00 0.00 C ATOM 941 CD GLU A 64 0.793 1.317 -8.645 1.00 0.00 C ATOM 942 OE1 GLU A 64 0.623 0.597 -9.614 1.00 0.00 O ATOM 943 OE2 GLU A 64 1.272 0.936 -7.589 1.00 0.00 O ATOM 0 H GLU A 64 -1.160 5.090 -8.810 1.00 0.00 H new ATOM 0 HA GLU A 64 -2.399 3.207 -10.729 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -0.268 2.137 -10.713 1.00 0.00 H new ATOM 0 HB3 GLU A 64 0.102 3.847 -10.621 1.00 0.00 H new ATOM 0 HG2 GLU A 64 1.265 3.426 -8.705 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -0.258 3.062 -7.919 1.00 0.00 H new ATOM 950 N VAL A 65 -3.042 2.852 -7.752 1.00 0.00 N ATOM 951 CA VAL A 65 -3.599 1.956 -6.699 1.00 0.00 C ATOM 952 C VAL A 65 -4.737 2.676 -5.973 1.00 0.00 C ATOM 953 O VAL A 65 -5.858 2.207 -5.939 1.00 0.00 O ATOM 954 CB VAL A 65 -2.504 1.580 -5.695 1.00 0.00 C ATOM 955 CG1 VAL A 65 -1.704 0.393 -6.233 1.00 0.00 C ATOM 956 CG2 VAL A 65 -1.561 2.768 -5.476 1.00 0.00 C ATOM 0 H VAL A 65 -3.225 3.846 -7.616 1.00 0.00 H new ATOM 0 HA VAL A 65 -3.978 1.046 -7.165 1.00 0.00 H new ATOM 0 HB VAL A 65 -2.969 1.312 -4.747 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -0.925 0.126 -5.519 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -2.369 -0.458 -6.380 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -1.246 0.664 -7.184 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -0.786 2.491 -4.761 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -1.098 3.045 -6.423 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -2.127 3.615 -5.088 1.00 0.00 H new ATOM 966 N ASP A 66 -4.464 3.814 -5.395 1.00 0.00 N ATOM 967 CA ASP A 66 -5.536 4.562 -4.681 1.00 0.00 C ATOM 968 C ASP A 66 -6.570 5.046 -5.699 1.00 0.00 C ATOM 969 O ASP A 66 -6.450 6.118 -6.259 1.00 0.00 O ATOM 970 CB ASP A 66 -4.925 5.765 -3.958 1.00 0.00 C ATOM 971 CG ASP A 66 -6.041 6.644 -3.391 1.00 0.00 C ATOM 972 OD1 ASP A 66 -6.598 6.276 -2.370 1.00 0.00 O ATOM 973 OD2 ASP A 66 -6.322 7.670 -3.989 1.00 0.00 O ATOM 0 H ASP A 66 -3.545 4.257 -5.387 1.00 0.00 H new ATOM 0 HA ASP A 66 -6.017 3.911 -3.951 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -4.272 5.426 -3.154 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -4.309 6.342 -4.648 1.00 0.00 H new ATOM 978 N GLU A 67 -7.581 4.260 -5.951 1.00 0.00 N ATOM 979 CA GLU A 67 -8.617 4.671 -6.943 1.00 0.00 C ATOM 980 C GLU A 67 -9.945 4.936 -6.231 1.00 0.00 C ATOM 981 O GLU A 67 -10.790 5.656 -6.725 1.00 0.00 O ATOM 982 CB GLU A 67 -8.803 3.549 -7.967 1.00 0.00 C ATOM 983 CG GLU A 67 -9.867 3.955 -8.988 1.00 0.00 C ATOM 984 CD GLU A 67 -10.278 2.732 -9.807 1.00 0.00 C ATOM 985 OE1 GLU A 67 -10.614 1.726 -9.205 1.00 0.00 O ATOM 986 OE2 GLU A 67 -10.249 2.821 -11.024 1.00 0.00 O ATOM 0 H GLU A 67 -7.735 3.352 -5.514 1.00 0.00 H new ATOM 0 HA GLU A 67 -8.295 5.583 -7.446 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -7.859 3.345 -8.473 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -9.101 2.629 -7.463 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -10.735 4.373 -8.478 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -9.478 4.733 -9.645 1.00 0.00 H new ATOM 993 N ASP A 68 -10.139 4.362 -5.076 1.00 0.00 N ATOM 994 CA ASP A 68 -11.416 4.584 -4.341 1.00 0.00 C ATOM 995 C ASP A 68 -11.774 6.072 -4.378 1.00 0.00 C ATOM 996 O ASP A 68 -12.928 6.441 -4.475 1.00 0.00 O ATOM 997 CB ASP A 68 -11.253 4.133 -2.887 1.00 0.00 C ATOM 998 CG ASP A 68 -10.401 5.149 -2.124 1.00 0.00 C ATOM 999 OD1 ASP A 68 -9.189 5.021 -2.156 1.00 0.00 O ATOM 1000 OD2 ASP A 68 -10.977 6.039 -1.520 1.00 0.00 O ATOM 0 H ASP A 68 -9.470 3.750 -4.610 1.00 0.00 H new ATOM 0 HA ASP A 68 -12.212 4.008 -4.813 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -12.230 4.036 -2.415 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -10.783 3.150 -2.852 1.00 0.00 H new ATOM 1005 N GLY A 69 -10.792 6.927 -4.298 1.00 0.00 N ATOM 1006 CA GLY A 69 -11.072 8.390 -4.323 1.00 0.00 C ATOM 1007 C GLY A 69 -10.804 8.976 -2.937 1.00 0.00 C ATOM 1008 O GLY A 69 -11.670 9.564 -2.321 1.00 0.00 O ATOM 0 H GLY A 69 -9.807 6.675 -4.216 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -10.443 8.880 -5.066 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -12.107 8.570 -4.613 1.00 0.00 H new ATOM 1012 N SER A 70 -9.608 8.815 -2.439 1.00 0.00 N ATOM 1013 CA SER A 70 -9.283 9.360 -1.091 1.00 0.00 C ATOM 1014 C SER A 70 -7.919 10.049 -1.136 1.00 0.00 C ATOM 1015 O SER A 70 -7.720 11.090 -0.542 1.00 0.00 O ATOM 1016 CB SER A 70 -9.247 8.216 -0.077 1.00 0.00 C ATOM 1017 OG SER A 70 -9.607 8.713 1.205 1.00 0.00 O ATOM 0 H SER A 70 -8.843 8.330 -2.907 1.00 0.00 H new ATOM 0 HA SER A 70 -10.043 10.083 -0.796 1.00 0.00 H new ATOM 0 HB2 SER A 70 -9.934 7.425 -0.379 1.00 0.00 H new ATOM 0 HB3 SER A 70 -8.250 7.777 -0.043 1.00 0.00 H new ATOM 0 HG SER A 70 -9.587 7.982 1.857 1.00 0.00 H new ATOM 1023 N GLY A 71 -6.976 9.477 -1.835 1.00 0.00 N ATOM 1024 CA GLY A 71 -5.626 10.103 -1.918 1.00 0.00 C ATOM 1025 C GLY A 71 -4.701 9.470 -0.877 1.00 0.00 C ATOM 1026 O GLY A 71 -3.800 10.104 -0.366 1.00 0.00 O ATOM 0 H GLY A 71 -7.082 8.604 -2.352 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -5.212 9.967 -2.917 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -5.701 11.177 -1.747 1.00 0.00 H new ATOM 1030 N THR A 72 -4.914 8.222 -0.556 1.00 0.00 N ATOM 1031 CA THR A 72 -4.042 7.552 0.453 1.00 0.00 C ATOM 1032 C THR A 72 -4.037 6.044 0.194 1.00 0.00 C ATOM 1033 O THR A 72 -4.560 5.573 -0.797 1.00 0.00 O ATOM 1034 CB THR A 72 -4.559 7.830 1.879 1.00 0.00 C ATOM 1035 OG1 THR A 72 -4.959 6.610 2.488 1.00 0.00 O ATOM 1036 CG2 THR A 72 -5.751 8.788 1.837 1.00 0.00 C ATOM 0 H THR A 72 -5.653 7.638 -0.948 1.00 0.00 H new ATOM 0 HA THR A 72 -3.029 7.946 0.365 1.00 0.00 H new ATOM 0 HB THR A 72 -3.756 8.286 2.458 1.00 0.00 H new ATOM 0 HG1 THR A 72 -5.780 6.755 3.003 1.00 0.00 H new ATOM 0 HG21 THR A 72 -6.104 8.974 2.851 1.00 0.00 H new ATOM 0 HG22 THR A 72 -5.445 9.730 1.381 1.00 0.00 H new ATOM 0 HG23 THR A 72 -6.554 8.344 1.249 1.00 0.00 H new ATOM 1044 N ILE A 73 -3.451 5.283 1.077 1.00 0.00 N ATOM 1045 CA ILE A 73 -3.416 3.808 0.880 1.00 0.00 C ATOM 1046 C ILE A 73 -3.735 3.111 2.204 1.00 0.00 C ATOM 1047 O ILE A 73 -3.414 3.601 3.267 1.00 0.00 O ATOM 1048 CB ILE A 73 -2.023 3.390 0.404 1.00 0.00 C ATOM 1049 CG1 ILE A 73 -1.513 4.405 -0.621 1.00 0.00 C ATOM 1050 CG2 ILE A 73 -2.098 2.006 -0.244 1.00 0.00 C ATOM 1051 CD1 ILE A 73 -0.234 3.876 -1.271 1.00 0.00 C ATOM 0 H ILE A 73 -2.996 5.619 1.925 1.00 0.00 H new ATOM 0 HA ILE A 73 -4.155 3.522 0.132 1.00 0.00 H new ATOM 0 HB ILE A 73 -1.342 3.355 1.255 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -2.273 4.583 -1.382 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -1.318 5.361 -0.136 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -1.106 1.709 -0.583 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -2.465 1.283 0.484 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -2.777 2.039 -1.096 1.00 0.00 H new ATOM 0 HD11 ILE A 73 0.129 4.599 -2.001 1.00 0.00 H new ATOM 0 HD12 ILE A 73 0.526 3.721 -0.505 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -0.444 2.930 -1.771 1.00 0.00 H new ATOM 1063 N ASP A 74 -4.365 1.970 2.147 1.00 0.00 N ATOM 1064 CA ASP A 74 -4.705 1.245 3.404 1.00 0.00 C ATOM 1065 C ASP A 74 -4.291 -0.223 3.278 1.00 0.00 C ATOM 1066 O ASP A 74 -3.549 -0.594 2.391 1.00 0.00 O ATOM 1067 CB ASP A 74 -6.213 1.331 3.652 1.00 0.00 C ATOM 1068 CG ASP A 74 -6.959 0.661 2.498 1.00 0.00 C ATOM 1069 OD1 ASP A 74 -6.617 0.934 1.360 1.00 0.00 O ATOM 1070 OD2 ASP A 74 -7.861 -0.114 2.772 1.00 0.00 O ATOM 0 H ASP A 74 -4.659 1.509 1.286 1.00 0.00 H new ATOM 0 HA ASP A 74 -4.173 1.701 4.239 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -6.466 0.844 4.594 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -6.519 2.373 3.740 1.00 0.00 H new ATOM 1075 N PHE A 75 -4.765 -1.059 4.160 1.00 0.00 N ATOM 1076 CA PHE A 75 -4.399 -2.503 4.094 1.00 0.00 C ATOM 1077 C PHE A 75 -5.039 -3.141 2.858 1.00 0.00 C ATOM 1078 O PHE A 75 -4.761 -4.274 2.520 1.00 0.00 O ATOM 1079 CB PHE A 75 -4.908 -3.212 5.350 1.00 0.00 C ATOM 1080 CG PHE A 75 -3.813 -3.252 6.388 1.00 0.00 C ATOM 1081 CD1 PHE A 75 -3.552 -2.123 7.176 1.00 0.00 C ATOM 1082 CD2 PHE A 75 -3.060 -4.418 6.566 1.00 0.00 C ATOM 1083 CE1 PHE A 75 -2.537 -2.163 8.141 1.00 0.00 C ATOM 1084 CE2 PHE A 75 -2.047 -4.458 7.530 1.00 0.00 C ATOM 1085 CZ PHE A 75 -1.785 -3.330 8.317 1.00 0.00 C ATOM 0 H PHE A 75 -5.391 -0.805 4.925 1.00 0.00 H new ATOM 0 HA PHE A 75 -3.315 -2.599 4.031 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -5.779 -2.691 5.746 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -5.227 -4.225 5.104 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -4.133 -1.223 7.040 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -3.261 -5.288 5.958 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -2.335 -1.293 8.749 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -1.467 -5.359 7.667 1.00 0.00 H new ATOM 0 HZ PHE A 75 -1.002 -3.361 9.060 1.00 0.00 H new ATOM 1095 N GLU A 76 -5.897 -2.426 2.185 1.00 0.00 N ATOM 1096 CA GLU A 76 -6.559 -2.995 0.976 1.00 0.00 C ATOM 1097 C GLU A 76 -5.725 -2.685 -0.269 1.00 0.00 C ATOM 1098 O GLU A 76 -5.506 -3.536 -1.108 1.00 0.00 O ATOM 1099 CB GLU A 76 -7.950 -2.380 0.822 1.00 0.00 C ATOM 1100 CG GLU A 76 -8.856 -2.879 1.949 1.00 0.00 C ATOM 1101 CD GLU A 76 -10.240 -2.243 1.811 1.00 0.00 C ATOM 1102 OE1 GLU A 76 -10.451 -1.535 0.842 1.00 0.00 O ATOM 1103 OE2 GLU A 76 -11.066 -2.477 2.679 1.00 0.00 O ATOM 0 H GLU A 76 -6.169 -1.471 2.420 1.00 0.00 H new ATOM 0 HA GLU A 76 -6.646 -4.076 1.089 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -7.883 -1.292 0.849 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -8.373 -2.649 -0.146 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -8.938 -3.965 1.910 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -8.423 -2.626 2.917 1.00 0.00 H new ATOM 1110 N GLU A 77 -5.265 -1.472 -0.401 1.00 0.00 N ATOM 1111 CA GLU A 77 -4.454 -1.108 -1.598 1.00 0.00 C ATOM 1112 C GLU A 77 -3.003 -1.548 -1.400 1.00 0.00 C ATOM 1113 O GLU A 77 -2.414 -2.182 -2.252 1.00 0.00 O ATOM 1114 CB GLU A 77 -4.499 0.409 -1.798 1.00 0.00 C ATOM 1115 CG GLU A 77 -5.348 0.734 -3.028 1.00 0.00 C ATOM 1116 CD GLU A 77 -6.821 0.464 -2.716 1.00 0.00 C ATOM 1117 OE1 GLU A 77 -7.178 -0.697 -2.598 1.00 0.00 O ATOM 1118 OE2 GLU A 77 -7.567 1.422 -2.600 1.00 0.00 O ATOM 0 H GLU A 77 -5.415 -0.717 0.268 1.00 0.00 H new ATOM 0 HA GLU A 77 -4.865 -1.610 -2.474 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -4.919 0.891 -0.915 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -3.490 0.800 -1.925 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -5.211 1.777 -3.313 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -5.027 0.128 -3.875 1.00 0.00 H new ATOM 1125 N PHE A 78 -2.418 -1.206 -0.285 1.00 0.00 N ATOM 1126 CA PHE A 78 -1.001 -1.592 -0.034 1.00 0.00 C ATOM 1127 C PHE A 78 -0.830 -3.107 -0.174 1.00 0.00 C ATOM 1128 O PHE A 78 0.151 -3.579 -0.711 1.00 0.00 O ATOM 1129 CB PHE A 78 -0.603 -1.168 1.381 1.00 0.00 C ATOM 1130 CG PHE A 78 0.770 -0.541 1.351 1.00 0.00 C ATOM 1131 CD1 PHE A 78 1.697 -0.934 0.377 1.00 0.00 C ATOM 1132 CD2 PHE A 78 1.116 0.433 2.295 1.00 0.00 C ATOM 1133 CE1 PHE A 78 2.970 -0.352 0.349 1.00 0.00 C ATOM 1134 CE2 PHE A 78 2.389 1.015 2.266 1.00 0.00 C ATOM 1135 CZ PHE A 78 3.316 0.622 1.293 1.00 0.00 C ATOM 0 H PHE A 78 -2.861 -0.675 0.464 1.00 0.00 H new ATOM 0 HA PHE A 78 -0.364 -1.094 -0.765 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -1.330 -0.459 1.778 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -0.605 -2.032 2.045 1.00 0.00 H new ATOM 0 HD1 PHE A 78 1.430 -1.685 -0.352 1.00 0.00 H new ATOM 0 HD2 PHE A 78 0.401 0.736 3.046 1.00 0.00 H new ATOM 0 HE1 PHE A 78 3.685 -0.655 -0.401 1.00 0.00 H new ATOM 0 HE2 PHE A 78 2.656 1.767 2.994 1.00 0.00 H new ATOM 0 HZ PHE A 78 4.298 1.070 1.271 1.00 0.00 H new ATOM 1145 N LEU A 79 -1.765 -3.876 0.315 1.00 0.00 N ATOM 1146 CA LEU A 79 -1.635 -5.360 0.215 1.00 0.00 C ATOM 1147 C LEU A 79 -1.688 -5.793 -1.253 1.00 0.00 C ATOM 1148 O LEU A 79 -0.810 -6.479 -1.739 1.00 0.00 O ATOM 1149 CB LEU A 79 -2.778 -6.026 0.985 1.00 0.00 C ATOM 1150 CG LEU A 79 -2.292 -6.418 2.380 1.00 0.00 C ATOM 1151 CD1 LEU A 79 -1.785 -5.174 3.113 1.00 0.00 C ATOM 1152 CD2 LEU A 79 -3.450 -7.037 3.168 1.00 0.00 C ATOM 0 H LEU A 79 -2.611 -3.543 0.778 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.679 -5.664 0.643 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.625 -5.344 1.062 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -3.127 -6.908 0.448 1.00 0.00 H new ATOM 0 HG LEU A 79 -1.483 -7.143 2.292 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -1.438 -5.454 4.108 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -0.961 -4.732 2.553 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -2.594 -4.449 3.201 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -3.104 -7.317 4.163 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -4.259 -6.312 3.256 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -3.812 -7.923 2.647 1.00 0.00 H new ATOM 1164 N VAL A 80 -2.712 -5.405 -1.962 1.00 0.00 N ATOM 1165 CA VAL A 80 -2.822 -5.804 -3.395 1.00 0.00 C ATOM 1166 C VAL A 80 -1.662 -5.205 -4.194 1.00 0.00 C ATOM 1167 O VAL A 80 -1.446 -5.548 -5.340 1.00 0.00 O ATOM 1168 CB VAL A 80 -4.151 -5.295 -3.962 1.00 0.00 C ATOM 1169 CG1 VAL A 80 -4.133 -3.767 -4.018 1.00 0.00 C ATOM 1170 CG2 VAL A 80 -4.351 -5.852 -5.374 1.00 0.00 C ATOM 0 H VAL A 80 -3.478 -4.829 -1.612 1.00 0.00 H new ATOM 0 HA VAL A 80 -2.783 -6.891 -3.470 1.00 0.00 H new ATOM 0 HB VAL A 80 -4.967 -5.626 -3.320 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -5.079 -3.407 -4.422 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -3.991 -3.368 -3.014 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -3.316 -3.436 -4.659 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -5.297 -5.490 -5.777 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -3.533 -5.522 -6.015 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -4.366 -6.941 -5.337 1.00 0.00 H new ATOM 1180 N MET A 81 -0.916 -4.309 -3.607 1.00 0.00 N ATOM 1181 CA MET A 81 0.223 -3.691 -4.344 1.00 0.00 C ATOM 1182 C MET A 81 1.497 -4.511 -4.120 1.00 0.00 C ATOM 1183 O MET A 81 2.248 -4.770 -5.040 1.00 0.00 O ATOM 1184 CB MET A 81 0.446 -2.264 -3.837 1.00 0.00 C ATOM 1185 CG MET A 81 1.735 -1.705 -4.441 1.00 0.00 C ATOM 1186 SD MET A 81 1.582 0.087 -4.644 1.00 0.00 S ATOM 1187 CE MET A 81 1.173 0.475 -2.925 1.00 0.00 C ATOM 0 H MET A 81 -1.046 -3.979 -2.651 1.00 0.00 H new ATOM 0 HA MET A 81 -0.011 -3.672 -5.408 1.00 0.00 H new ATOM 0 HB2 MET A 81 -0.400 -1.633 -4.110 1.00 0.00 H new ATOM 0 HB3 MET A 81 0.509 -2.259 -2.749 1.00 0.00 H new ATOM 0 HG2 MET A 81 2.582 -1.937 -3.795 1.00 0.00 H new ATOM 0 HG3 MET A 81 1.931 -2.175 -5.405 1.00 0.00 H new ATOM 0 HE1 MET A 81 1.378 1.528 -2.731 1.00 0.00 H new ATOM 0 HE2 MET A 81 0.117 0.272 -2.748 1.00 0.00 H new ATOM 0 HE3 MET A 81 1.778 -0.141 -2.259 1.00 0.00 H new ATOM 1197 N MET A 82 1.752 -4.912 -2.905 1.00 0.00 N ATOM 1198 CA MET A 82 2.983 -5.702 -2.619 1.00 0.00 C ATOM 1199 C MET A 82 2.796 -7.152 -3.075 1.00 0.00 C ATOM 1200 O MET A 82 3.752 -7.879 -3.260 1.00 0.00 O ATOM 1201 CB MET A 82 3.262 -5.677 -1.116 1.00 0.00 C ATOM 1202 CG MET A 82 2.004 -6.109 -0.360 1.00 0.00 C ATOM 1203 SD MET A 82 2.448 -6.617 1.320 1.00 0.00 S ATOM 1204 CE MET A 82 3.284 -8.161 0.878 1.00 0.00 C ATOM 0 H MET A 82 1.159 -4.726 -2.096 1.00 0.00 H new ATOM 0 HA MET A 82 3.822 -5.263 -3.160 1.00 0.00 H new ATOM 0 HB2 MET A 82 4.090 -6.344 -0.877 1.00 0.00 H new ATOM 0 HB3 MET A 82 3.560 -4.675 -0.807 1.00 0.00 H new ATOM 0 HG2 MET A 82 1.289 -5.287 -0.325 1.00 0.00 H new ATOM 0 HG3 MET A 82 1.518 -6.933 -0.883 1.00 0.00 H new ATOM 0 HE1 MET A 82 3.174 -8.880 1.690 1.00 0.00 H new ATOM 0 HE2 MET A 82 2.839 -8.569 -0.030 1.00 0.00 H new ATOM 0 HE3 MET A 82 4.343 -7.966 0.707 1.00 0.00 H new ATOM 1214 N VAL A 83 1.577 -7.581 -3.253 1.00 0.00 N ATOM 1215 CA VAL A 83 1.344 -8.986 -3.692 1.00 0.00 C ATOM 1216 C VAL A 83 1.404 -9.065 -5.219 1.00 0.00 C ATOM 1217 O VAL A 83 1.440 -10.135 -5.793 1.00 0.00 O ATOM 1218 CB VAL A 83 -0.030 -9.453 -3.209 1.00 0.00 C ATOM 1219 CG1 VAL A 83 -0.211 -10.936 -3.538 1.00 0.00 C ATOM 1220 CG2 VAL A 83 -0.131 -9.252 -1.696 1.00 0.00 C ATOM 0 H VAL A 83 0.735 -7.022 -3.114 1.00 0.00 H new ATOM 0 HA VAL A 83 2.115 -9.629 -3.267 1.00 0.00 H new ATOM 0 HB VAL A 83 -0.807 -8.873 -3.708 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -1.190 -11.268 -3.194 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -0.137 -11.081 -4.616 1.00 0.00 H new ATOM 0 HG13 VAL A 83 0.565 -11.517 -3.039 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -1.110 -9.584 -1.349 1.00 0.00 H new ATOM 0 HG22 VAL A 83 0.646 -9.833 -1.199 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -0.002 -8.196 -1.460 1.00 0.00 H new ATOM 1230 N ARG A 84 1.417 -7.941 -5.882 1.00 0.00 N ATOM 1231 CA ARG A 84 1.476 -7.956 -7.372 1.00 0.00 C ATOM 1232 C ARG A 84 2.850 -8.453 -7.824 1.00 0.00 C ATOM 1233 O ARG A 84 3.045 -9.626 -8.077 1.00 0.00 O ATOM 1234 CB ARG A 84 1.246 -6.539 -7.905 1.00 0.00 C ATOM 1235 CG ARG A 84 -0.256 -6.273 -8.018 1.00 0.00 C ATOM 1236 CD ARG A 84 -0.595 -5.858 -9.450 1.00 0.00 C ATOM 1237 NE ARG A 84 -1.865 -6.514 -9.871 1.00 0.00 N ATOM 1238 CZ ARG A 84 -1.830 -7.562 -10.648 1.00 0.00 C ATOM 1239 NH1 ARG A 84 -1.452 -7.440 -11.891 1.00 0.00 N ATOM 1240 NH2 ARG A 84 -2.171 -8.731 -10.181 1.00 0.00 N ATOM 0 H ARG A 84 1.389 -7.014 -5.457 1.00 0.00 H new ATOM 0 HA ARG A 84 0.704 -8.621 -7.759 1.00 0.00 H new ATOM 0 HB2 ARG A 84 1.706 -5.809 -7.239 1.00 0.00 H new ATOM 0 HB3 ARG A 84 1.721 -6.424 -8.880 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -0.816 -7.168 -7.745 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -0.550 -5.488 -7.321 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -0.695 -4.774 -9.512 1.00 0.00 H new ATOM 0 HD3 ARG A 84 0.214 -6.142 -10.123 1.00 0.00 H new ATOM 0 HE ARG A 84 -2.761 -6.144 -9.552 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -1.184 -6.526 -12.255 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -1.425 -8.259 -12.498 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -2.465 -8.826 -9.209 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -2.144 -9.550 -10.788 1.00 0.00 H new ATOM 1254 N GLN A 85 3.806 -7.571 -7.930 1.00 0.00 N ATOM 1255 CA GLN A 85 5.166 -7.993 -8.367 1.00 0.00 C ATOM 1256 C GLN A 85 5.808 -8.858 -7.280 1.00 0.00 C ATOM 1257 O GLN A 85 6.364 -8.357 -6.322 1.00 0.00 O ATOM 1258 CB GLN A 85 6.031 -6.755 -8.610 1.00 0.00 C ATOM 1259 CG GLN A 85 5.952 -5.828 -7.394 1.00 0.00 C ATOM 1260 CD GLN A 85 5.333 -4.491 -7.810 1.00 0.00 C ATOM 1261 OE1 GLN A 85 5.957 -3.707 -8.496 1.00 0.00 O ATOM 1262 NE2 GLN A 85 4.122 -4.198 -7.418 1.00 0.00 N ATOM 0 H GLN A 85 3.703 -6.576 -7.733 1.00 0.00 H new ATOM 0 HA GLN A 85 5.087 -8.569 -9.289 1.00 0.00 H new ATOM 0 HB2 GLN A 85 7.065 -7.050 -8.788 1.00 0.00 H new ATOM 0 HB3 GLN A 85 5.691 -6.230 -9.503 1.00 0.00 H new ATOM 0 HG2 GLN A 85 5.352 -6.290 -6.610 1.00 0.00 H new ATOM 0 HG3 GLN A 85 6.948 -5.667 -6.981 1.00 0.00 H new ATOM 0 HE21 GLN A 85 3.599 -4.857 -6.842 1.00 0.00 H new ATOM 0 HE22 GLN A 85 3.699 -3.310 -7.688 1.00 0.00 H new