USER MOD reduce.3.24.130724 H: found=0, std=0, add=367, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 363 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 1 ARG N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot -140:sc= -0.0131 USER MOD Single : A 21 CYS SG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 39 HIS : no HD1:sc= -1.32 K(o=-1.3,f=0.06) USER MOD Single : A 41 GLN : amide:sc= -1.93! C(o=-1.9!,f=-4.5!) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot 86:sc= 0.103 USER MOD Single : A 46 HIS : no HD1:sc= 0 X(o=0,f=-0.057) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 34.300 25.391 19.267 1.00 0.00 N ATOM 2 CA ARG A 1 33.119 26.173 18.803 1.00 0.00 C ATOM 3 C ARG A 1 31.870 25.306 18.905 1.00 0.00 C ATOM 4 O ARG A 1 30.939 25.627 19.644 1.00 0.00 O ATOM 5 CB ARG A 1 33.340 26.609 17.352 1.00 0.00 C ATOM 6 CG ARG A 1 32.211 27.547 16.922 1.00 0.00 C ATOM 7 CD ARG A 1 32.404 27.938 15.456 1.00 0.00 C ATOM 8 NE ARG A 1 31.403 28.935 15.061 1.00 0.00 N ATOM 9 CZ ARG A 1 31.420 30.208 15.485 1.00 0.00 C ATOM 10 NH1 ARG A 1 32.344 30.663 16.298 1.00 0.00 N ATOM 11 NH2 ARG A 1 30.485 31.022 15.076 1.00 0.00 N ATOM 0 H1 ARG A 1 35.155 25.980 19.199 1.00 0.00 H new ATOM 0 H2 ARG A 1 34.158 25.101 20.255 1.00 0.00 H new ATOM 0 H3 ARG A 1 34.413 24.546 18.671 1.00 0.00 H new ATOM 0 HA ARG A 1 32.991 27.058 19.426 1.00 0.00 H new ATOM 0 HB2 ARG A 1 34.302 27.113 17.255 1.00 0.00 H new ATOM 0 HB3 ARG A 1 33.370 25.736 16.700 1.00 0.00 H new ATOM 0 HG2 ARG A 1 31.246 27.057 17.055 1.00 0.00 H new ATOM 0 HG3 ARG A 1 32.205 28.438 17.550 1.00 0.00 H new ATOM 0 HD2 ARG A 1 33.406 28.340 15.308 1.00 0.00 H new ATOM 0 HD3 ARG A 1 32.318 27.055 14.822 1.00 0.00 H new ATOM 0 HE ARG A 1 30.655 28.645 14.431 1.00 0.00 H new ATOM 0 HH11 ARG A 1 33.082 30.042 16.629 1.00 0.00 H new ATOM 0 HH12 ARG A 1 32.324 31.637 16.599 1.00 0.00 H new ATOM 0 HH21 ARG A 1 29.757 30.687 14.445 1.00 0.00 H new ATOM 0 HH22 ARG A 1 30.482 31.993 15.388 1.00 0.00 H new ATOM 25 N SER A 2 31.850 24.213 18.149 1.00 0.00 N ATOM 26 CA SER A 2 30.723 23.282 18.188 1.00 0.00 C ATOM 27 C SER A 2 30.468 22.739 19.599 1.00 0.00 C ATOM 28 O SER A 2 29.346 22.345 19.916 1.00 0.00 O ATOM 29 CB SER A 2 30.989 22.113 17.239 1.00 0.00 C ATOM 30 OG SER A 2 29.826 21.300 17.165 1.00 0.00 O ATOM 0 H SER A 2 32.596 23.949 17.505 1.00 0.00 H new ATOM 0 HA SER A 2 29.835 23.832 17.877 1.00 0.00 H new ATOM 0 HB2 SER A 2 31.251 22.485 16.249 1.00 0.00 H new ATOM 0 HB3 SER A 2 31.836 21.526 17.594 1.00 0.00 H new ATOM 0 HG SER A 2 29.990 20.549 16.557 1.00 0.00 H new ATOM 36 N LEU A 3 31.501 22.707 20.438 1.00 0.00 N ATOM 37 CA LEU A 3 31.367 22.191 21.799 1.00 0.00 C ATOM 38 C LEU A 3 30.286 22.929 22.596 1.00 0.00 C ATOM 39 O LEU A 3 29.739 22.379 23.552 1.00 0.00 O ATOM 40 CB LEU A 3 32.714 22.304 22.523 1.00 0.00 C ATOM 41 CG LEU A 3 32.711 21.456 23.812 1.00 0.00 C ATOM 42 CD1 LEU A 3 34.101 20.852 24.048 1.00 0.00 C ATOM 43 CD2 LEU A 3 32.343 22.321 25.025 1.00 0.00 C ATOM 0 H LEU A 3 32.438 23.031 20.200 1.00 0.00 H new ATOM 0 HA LEU A 3 31.063 21.147 21.729 1.00 0.00 H new ATOM 0 HB2 LEU A 3 33.516 21.971 21.864 1.00 0.00 H new ATOM 0 HB3 LEU A 3 32.915 23.347 22.768 1.00 0.00 H new ATOM 0 HG LEU A 3 31.974 20.662 23.692 1.00 0.00 H new ATOM 0 HD11 LEU A 3 34.088 20.255 24.960 1.00 0.00 H new ATOM 0 HD12 LEU A 3 34.370 20.218 23.203 1.00 0.00 H new ATOM 0 HD13 LEU A 3 34.833 21.653 24.149 1.00 0.00 H new ATOM 0 HD21 LEU A 3 32.346 21.706 25.925 1.00 0.00 H new ATOM 0 HD22 LEU A 3 33.071 23.125 25.133 1.00 0.00 H new ATOM 0 HD23 LEU A 3 31.350 22.747 24.880 1.00 0.00 H new ATOM 55 N LEU A 4 29.994 24.174 22.228 1.00 0.00 N ATOM 56 CA LEU A 4 29.010 24.974 22.955 1.00 0.00 C ATOM 57 C LEU A 4 27.639 24.291 23.011 1.00 0.00 C ATOM 58 O LEU A 4 26.866 24.521 23.941 1.00 0.00 O ATOM 59 CB LEU A 4 28.874 26.345 22.288 1.00 0.00 C ATOM 60 CG LEU A 4 27.981 27.253 23.137 1.00 0.00 C ATOM 61 CD1 LEU A 4 28.700 27.609 24.439 1.00 0.00 C ATOM 62 CD2 LEU A 4 27.678 28.535 22.359 1.00 0.00 C ATOM 0 H LEU A 4 30.422 24.650 21.434 1.00 0.00 H new ATOM 0 HA LEU A 4 29.365 25.085 23.980 1.00 0.00 H new ATOM 0 HB2 LEU A 4 29.858 26.799 22.167 1.00 0.00 H new ATOM 0 HB3 LEU A 4 28.449 26.233 21.290 1.00 0.00 H new ATOM 0 HG LEU A 4 27.051 26.734 23.367 1.00 0.00 H new ATOM 0 HD11 LEU A 4 28.062 28.256 25.042 1.00 0.00 H new ATOM 0 HD12 LEU A 4 28.920 26.697 24.994 1.00 0.00 H new ATOM 0 HD13 LEU A 4 29.631 28.128 24.210 1.00 0.00 H new ATOM 0 HD21 LEU A 4 27.042 29.184 22.961 1.00 0.00 H new ATOM 0 HD22 LEU A 4 28.611 29.051 22.131 1.00 0.00 H new ATOM 0 HD23 LEU A 4 27.165 28.284 21.430 1.00 0.00 H new ATOM 74 N GLU A 5 27.344 23.437 22.033 1.00 0.00 N ATOM 75 CA GLU A 5 26.039 22.778 21.973 1.00 0.00 C ATOM 76 C GLU A 5 25.859 21.740 23.088 1.00 0.00 C ATOM 77 O GLU A 5 24.731 21.431 23.470 1.00 0.00 O ATOM 78 CB GLU A 5 25.875 22.098 20.612 1.00 0.00 C ATOM 79 CG GLU A 5 24.439 21.579 20.459 1.00 0.00 C ATOM 80 CD GLU A 5 24.243 20.814 19.146 1.00 0.00 C ATOM 81 OE1 GLU A 5 25.194 20.662 18.391 1.00 0.00 O ATOM 82 OE2 GLU A 5 23.127 20.383 18.910 1.00 0.00 O ATOM 0 H GLU A 5 27.983 23.186 21.278 1.00 0.00 H new ATOM 0 HA GLU A 5 25.276 23.544 22.112 1.00 0.00 H new ATOM 0 HB2 GLU A 5 26.103 22.803 19.813 1.00 0.00 H new ATOM 0 HB3 GLU A 5 26.581 21.273 20.520 1.00 0.00 H new ATOM 0 HG2 GLU A 5 24.198 20.927 21.298 1.00 0.00 H new ATOM 0 HG3 GLU A 5 23.744 22.418 20.497 1.00 0.00 H new ATOM 89 N GLY A 6 26.960 21.212 23.620 1.00 0.00 N ATOM 90 CA GLY A 6 26.894 20.291 24.752 1.00 0.00 C ATOM 91 C GLY A 6 26.359 18.901 24.387 1.00 0.00 C ATOM 92 O GLY A 6 26.390 18.000 25.226 1.00 0.00 O ATOM 0 H GLY A 6 27.904 21.405 23.287 1.00 0.00 H new ATOM 0 HA2 GLY A 6 27.890 20.186 25.181 1.00 0.00 H new ATOM 0 HA3 GLY A 6 26.258 20.724 25.524 1.00 0.00 H new ATOM 96 N GLU A 7 25.874 18.712 23.157 1.00 0.00 N ATOM 97 CA GLU A 7 25.309 17.423 22.762 1.00 0.00 C ATOM 98 C GLU A 7 26.329 16.305 22.966 1.00 0.00 C ATOM 99 O GLU A 7 27.524 16.496 22.745 1.00 0.00 O ATOM 100 CB GLU A 7 24.885 17.467 21.293 1.00 0.00 C ATOM 101 CG GLU A 7 24.122 16.184 20.941 1.00 0.00 C ATOM 102 CD GLU A 7 23.747 16.130 19.456 1.00 0.00 C ATOM 103 OE1 GLU A 7 24.092 17.040 18.715 1.00 0.00 O ATOM 104 OE2 GLU A 7 23.111 15.161 19.075 1.00 0.00 O ATOM 0 H GLU A 7 25.861 19.425 22.428 1.00 0.00 H new ATOM 0 HA GLU A 7 24.438 17.223 23.386 1.00 0.00 H new ATOM 0 HB2 GLU A 7 24.256 18.338 21.111 1.00 0.00 H new ATOM 0 HB3 GLU A 7 25.762 17.568 20.653 1.00 0.00 H new ATOM 0 HG2 GLU A 7 24.734 15.318 21.192 1.00 0.00 H new ATOM 0 HG3 GLU A 7 23.218 16.122 21.546 1.00 0.00 H new ATOM 111 N ILE A 8 25.848 15.140 23.388 1.00 0.00 N ATOM 112 CA ILE A 8 26.734 14.008 23.643 1.00 0.00 C ATOM 113 C ILE A 8 27.529 13.664 22.376 1.00 0.00 C ATOM 114 O ILE A 8 26.987 13.782 21.276 1.00 0.00 O ATOM 115 CB ILE A 8 25.904 12.795 24.090 1.00 0.00 C ATOM 116 CG1 ILE A 8 25.102 13.152 25.344 1.00 0.00 C ATOM 117 CG2 ILE A 8 26.825 11.614 24.412 1.00 0.00 C ATOM 118 CD1 ILE A 8 24.134 12.016 25.675 1.00 0.00 C ATOM 0 H ILE A 8 24.860 14.955 23.560 1.00 0.00 H new ATOM 0 HA ILE A 8 27.436 14.274 24.434 1.00 0.00 H new ATOM 0 HB ILE A 8 25.228 12.519 23.281 1.00 0.00 H new ATOM 0 HG12 ILE A 8 25.777 13.324 26.183 1.00 0.00 H new ATOM 0 HG13 ILE A 8 24.550 14.078 25.184 1.00 0.00 H new ATOM 0 HG21 ILE A 8 26.225 10.760 24.728 1.00 0.00 H new ATOM 0 HG22 ILE A 8 27.398 11.347 23.524 1.00 0.00 H new ATOM 0 HG23 ILE A 8 27.508 11.894 25.214 1.00 0.00 H new ATOM 0 HD11 ILE A 8 23.564 12.272 26.568 1.00 0.00 H new ATOM 0 HD12 ILE A 8 23.451 11.865 24.839 1.00 0.00 H new ATOM 0 HD13 ILE A 8 24.696 11.099 25.854 1.00 0.00 H new ATOM 130 N PRO A 9 28.777 13.249 22.481 1.00 0.00 N ATOM 131 CA PRO A 9 29.549 12.789 21.284 1.00 0.00 C ATOM 132 C PRO A 9 28.861 11.624 20.577 1.00 0.00 C ATOM 133 O PRO A 9 28.236 10.783 21.223 1.00 0.00 O ATOM 134 CB PRO A 9 30.915 12.366 21.835 1.00 0.00 C ATOM 135 CG PRO A 9 31.033 13.037 23.159 1.00 0.00 C ATOM 136 CD PRO A 9 29.610 13.163 23.697 1.00 0.00 C ATOM 0 HA PRO A 9 29.630 13.577 20.535 1.00 0.00 H new ATOM 0 HB2 PRO A 9 30.979 11.283 21.937 1.00 0.00 H new ATOM 0 HB3 PRO A 9 31.720 12.672 21.167 1.00 0.00 H new ATOM 0 HG2 PRO A 9 31.656 12.454 23.837 1.00 0.00 H new ATOM 0 HG3 PRO A 9 31.500 14.017 23.059 1.00 0.00 H new ATOM 0 HD2 PRO A 9 29.337 12.303 24.309 1.00 0.00 H new ATOM 0 HD3 PRO A 9 29.496 14.048 24.323 1.00 0.00 H new ATOM 144 N PHE A 10 28.974 11.574 19.252 1.00 0.00 N ATOM 145 CA PHE A 10 28.418 10.459 18.488 1.00 0.00 C ATOM 146 C PHE A 10 28.997 9.133 18.994 1.00 0.00 C ATOM 147 O PHE A 10 30.164 9.102 19.391 1.00 0.00 O ATOM 148 CB PHE A 10 28.738 10.629 17.002 1.00 0.00 C ATOM 149 CG PHE A 10 27.956 11.741 16.346 1.00 0.00 C ATOM 150 CD1 PHE A 10 28.476 13.042 16.322 1.00 0.00 C ATOM 151 CD2 PHE A 10 26.712 11.474 15.763 1.00 0.00 C ATOM 152 CE1 PHE A 10 27.750 14.073 15.714 1.00 0.00 C ATOM 153 CE2 PHE A 10 25.987 12.505 15.154 1.00 0.00 C ATOM 154 CZ PHE A 10 26.506 13.806 15.130 1.00 0.00 C ATOM 0 H PHE A 10 29.441 12.285 18.689 1.00 0.00 H new ATOM 0 HA PHE A 10 27.336 10.449 18.621 1.00 0.00 H new ATOM 0 HB2 PHE A 10 29.804 10.827 16.887 1.00 0.00 H new ATOM 0 HB3 PHE A 10 28.530 9.693 16.483 1.00 0.00 H new ATOM 0 HD1 PHE A 10 29.436 13.249 16.772 1.00 0.00 H new ATOM 0 HD2 PHE A 10 26.311 10.471 15.783 1.00 0.00 H new ATOM 0 HE1 PHE A 10 28.150 15.076 15.695 1.00 0.00 H new ATOM 0 HE2 PHE A 10 25.028 12.298 14.703 1.00 0.00 H new ATOM 0 HZ PHE A 10 25.947 14.602 14.661 1.00 0.00 H new ATOM 164 N PRO A 11 28.243 8.052 18.994 1.00 0.00 N ATOM 165 CA PRO A 11 28.740 6.765 19.574 1.00 0.00 C ATOM 166 C PRO A 11 30.059 6.320 18.929 1.00 0.00 C ATOM 167 O PRO A 11 30.244 6.515 17.719 1.00 0.00 O ATOM 168 CB PRO A 11 27.627 5.753 19.278 1.00 0.00 C ATOM 169 CG PRO A 11 26.401 6.562 19.030 1.00 0.00 C ATOM 170 CD PRO A 11 26.873 7.900 18.464 1.00 0.00 C ATOM 0 HA PRO A 11 28.951 6.861 20.639 1.00 0.00 H new ATOM 0 HB2 PRO A 11 27.875 5.142 18.410 1.00 0.00 H new ATOM 0 HB3 PRO A 11 27.484 5.072 20.117 1.00 0.00 H new ATOM 0 HG2 PRO A 11 25.738 6.056 18.329 1.00 0.00 H new ATOM 0 HG3 PRO A 11 25.839 6.707 19.952 1.00 0.00 H new ATOM 0 HD2 PRO A 11 26.865 7.897 17.374 1.00 0.00 H new ATOM 0 HD3 PRO A 11 26.228 8.718 18.785 1.00 0.00 H new ATOM 178 N PRO A 12 30.980 5.737 19.674 1.00 0.00 N ATOM 179 CA PRO A 12 32.244 5.222 19.064 1.00 0.00 C ATOM 180 C PRO A 12 31.964 4.181 17.981 1.00 0.00 C ATOM 181 O PRO A 12 32.709 4.074 17.007 1.00 0.00 O ATOM 182 CB PRO A 12 33.019 4.603 20.233 1.00 0.00 C ATOM 183 CG PRO A 12 32.416 5.181 21.467 1.00 0.00 C ATOM 184 CD PRO A 12 30.959 5.480 21.127 1.00 0.00 C ATOM 0 HA PRO A 12 32.804 6.015 18.569 1.00 0.00 H new ATOM 0 HB2 PRO A 12 32.934 3.516 20.228 1.00 0.00 H new ATOM 0 HB3 PRO A 12 34.081 4.840 20.168 1.00 0.00 H new ATOM 0 HG2 PRO A 12 32.486 4.481 22.300 1.00 0.00 H new ATOM 0 HG3 PRO A 12 32.940 6.088 21.768 1.00 0.00 H new ATOM 0 HD2 PRO A 12 30.310 4.640 21.375 1.00 0.00 H new ATOM 0 HD3 PRO A 12 30.588 6.343 21.680 1.00 0.00 H new ATOM 192 N THR A 13 30.881 3.422 18.145 1.00 0.00 N ATOM 193 CA THR A 13 30.497 2.452 17.123 1.00 0.00 C ATOM 194 C THR A 13 30.212 3.134 15.786 1.00 0.00 C ATOM 195 O THR A 13 30.521 2.588 14.725 1.00 0.00 O ATOM 196 CB THR A 13 29.254 1.681 17.576 1.00 0.00 C ATOM 197 OG1 THR A 13 28.169 2.584 17.733 1.00 0.00 O ATOM 198 CG2 THR A 13 29.537 0.981 18.907 1.00 0.00 C ATOM 0 H THR A 13 30.266 3.458 18.958 1.00 0.00 H new ATOM 0 HA THR A 13 31.331 1.764 16.986 1.00 0.00 H new ATOM 0 HB THR A 13 28.999 0.933 16.825 1.00 0.00 H new ATOM 0 HG1 THR A 13 27.372 2.091 18.021 1.00 0.00 H new ATOM 0 HG21 THR A 13 28.650 0.434 19.226 1.00 0.00 H new ATOM 0 HG22 THR A 13 30.367 0.286 18.783 1.00 0.00 H new ATOM 0 HG23 THR A 13 29.795 1.724 19.661 1.00 0.00 H new ATOM 206 N SER A 14 29.673 4.355 15.832 1.00 0.00 N ATOM 207 CA SER A 14 29.346 5.065 14.601 1.00 0.00 C ATOM 208 C SER A 14 30.607 5.384 13.809 1.00 0.00 C ATOM 209 O SER A 14 30.715 5.049 12.623 1.00 0.00 O ATOM 210 CB SER A 14 28.605 6.362 14.929 1.00 0.00 C ATOM 211 OG SER A 14 27.481 6.064 15.746 1.00 0.00 O ATOM 0 H SER A 14 29.459 4.861 16.691 1.00 0.00 H new ATOM 0 HA SER A 14 28.707 4.423 13.995 1.00 0.00 H new ATOM 0 HB2 SER A 14 29.270 7.055 15.444 1.00 0.00 H new ATOM 0 HB3 SER A 14 28.282 6.853 14.011 1.00 0.00 H new ATOM 0 HG SER A 14 26.720 6.615 15.469 1.00 0.00 H new ATOM 217 N ILE A 15 31.580 6.006 14.477 1.00 0.00 N ATOM 218 CA ILE A 15 32.841 6.304 13.800 1.00 0.00 C ATOM 219 C ILE A 15 33.519 5.025 13.307 1.00 0.00 C ATOM 220 O ILE A 15 34.197 5.036 12.277 1.00 0.00 O ATOM 221 CB ILE A 15 33.781 7.102 14.710 1.00 0.00 C ATOM 222 CG1 ILE A 15 34.103 6.305 15.975 1.00 0.00 C ATOM 223 CG2 ILE A 15 33.107 8.418 15.104 1.00 0.00 C ATOM 224 CD1 ILE A 15 35.252 6.980 16.724 1.00 0.00 C ATOM 0 H ILE A 15 31.524 6.304 15.451 1.00 0.00 H new ATOM 0 HA ILE A 15 32.611 6.919 12.930 1.00 0.00 H new ATOM 0 HB ILE A 15 34.707 7.302 14.171 1.00 0.00 H new ATOM 0 HG12 ILE A 15 33.222 6.246 16.615 1.00 0.00 H new ATOM 0 HG13 ILE A 15 34.376 5.283 15.714 1.00 0.00 H new ATOM 0 HG21 ILE A 15 33.773 8.988 15.752 1.00 0.00 H new ATOM 0 HG22 ILE A 15 32.889 8.998 14.207 1.00 0.00 H new ATOM 0 HG23 ILE A 15 32.179 8.207 15.634 1.00 0.00 H new ATOM 0 HD11 ILE A 15 35.482 6.412 17.626 1.00 0.00 H new ATOM 0 HD12 ILE A 15 36.133 7.015 16.083 1.00 0.00 H new ATOM 0 HD13 ILE A 15 34.962 7.994 16.998 1.00 0.00 H new ATOM 236 N LEU A 16 33.319 3.911 14.017 1.00 0.00 N ATOM 237 CA LEU A 16 33.847 2.634 13.549 1.00 0.00 C ATOM 238 C LEU A 16 33.267 2.274 12.182 1.00 0.00 C ATOM 239 O LEU A 16 33.972 1.742 11.321 1.00 0.00 O ATOM 240 CB LEU A 16 33.512 1.538 14.566 1.00 0.00 C ATOM 241 CG LEU A 16 34.288 0.251 14.240 1.00 0.00 C ATOM 242 CD1 LEU A 16 34.568 -0.526 15.531 1.00 0.00 C ATOM 243 CD2 LEU A 16 33.465 -0.629 13.291 1.00 0.00 C ATOM 0 H LEU A 16 32.807 3.869 14.898 1.00 0.00 H new ATOM 0 HA LEU A 16 34.929 2.719 13.448 1.00 0.00 H new ATOM 0 HB2 LEU A 16 33.762 1.877 15.571 1.00 0.00 H new ATOM 0 HB3 LEU A 16 32.441 1.337 14.555 1.00 0.00 H new ATOM 0 HG LEU A 16 35.230 0.519 13.762 1.00 0.00 H new ATOM 0 HD11 LEU A 16 35.118 -1.437 15.295 1.00 0.00 H new ATOM 0 HD12 LEU A 16 35.161 0.091 16.206 1.00 0.00 H new ATOM 0 HD13 LEU A 16 33.625 -0.786 16.011 1.00 0.00 H new ATOM 0 HD21 LEU A 16 34.021 -1.539 13.064 1.00 0.00 H new ATOM 0 HD22 LEU A 16 32.519 -0.890 13.766 1.00 0.00 H new ATOM 0 HD23 LEU A 16 33.269 -0.084 12.368 1.00 0.00 H new ATOM 255 N LEU A 17 31.998 2.621 11.954 1.00 0.00 N ATOM 256 CA LEU A 17 31.404 2.395 10.641 1.00 0.00 C ATOM 257 C LEU A 17 32.170 3.152 9.558 1.00 0.00 C ATOM 258 O LEU A 17 32.368 2.644 8.450 1.00 0.00 O ATOM 259 CB LEU A 17 29.940 2.845 10.647 1.00 0.00 C ATOM 260 CG LEU A 17 29.278 2.463 9.322 1.00 0.00 C ATOM 261 CD1 LEU A 17 29.097 0.945 9.261 1.00 0.00 C ATOM 262 CD2 LEU A 17 27.910 3.142 9.225 1.00 0.00 C ATOM 0 H LEU A 17 31.379 3.048 12.643 1.00 0.00 H new ATOM 0 HA LEU A 17 31.457 1.329 10.421 1.00 0.00 H new ATOM 0 HB2 LEU A 17 29.410 2.379 11.477 1.00 0.00 H new ATOM 0 HB3 LEU A 17 29.881 3.923 10.796 1.00 0.00 H new ATOM 0 HG LEU A 17 29.907 2.787 8.493 1.00 0.00 H new ATOM 0 HD11 LEU A 17 28.625 0.672 8.317 1.00 0.00 H new ATOM 0 HD12 LEU A 17 30.070 0.459 9.334 1.00 0.00 H new ATOM 0 HD13 LEU A 17 28.466 0.620 10.089 1.00 0.00 H new ATOM 0 HD21 LEU A 17 27.436 2.872 8.282 1.00 0.00 H new ATOM 0 HD22 LEU A 17 27.282 2.815 10.054 1.00 0.00 H new ATOM 0 HD23 LEU A 17 28.037 4.224 9.271 1.00 0.00 H new ATOM 274 N LEU A 18 32.649 4.353 9.897 1.00 0.00 N ATOM 275 CA LEU A 18 33.478 5.100 8.953 1.00 0.00 C ATOM 276 C LEU A 18 34.749 4.326 8.607 1.00 0.00 C ATOM 277 O LEU A 18 35.218 4.363 7.465 1.00 0.00 O ATOM 278 CB LEU A 18 33.851 6.471 9.527 1.00 0.00 C ATOM 279 CG LEU A 18 32.583 7.243 9.901 1.00 0.00 C ATOM 280 CD1 LEU A 18 32.969 8.562 10.571 1.00 0.00 C ATOM 281 CD2 LEU A 18 31.770 7.542 8.638 1.00 0.00 C ATOM 0 H LEU A 18 32.483 4.816 10.791 1.00 0.00 H new ATOM 0 HA LEU A 18 32.895 5.241 8.043 1.00 0.00 H new ATOM 0 HB2 LEU A 18 34.484 6.347 10.406 1.00 0.00 H new ATOM 0 HB3 LEU A 18 34.429 7.036 8.795 1.00 0.00 H new ATOM 0 HG LEU A 18 31.986 6.642 10.586 1.00 0.00 H new ATOM 0 HD11 LEU A 18 32.067 9.112 10.838 1.00 0.00 H new ATOM 0 HD12 LEU A 18 33.548 8.357 11.471 1.00 0.00 H new ATOM 0 HD13 LEU A 18 33.568 9.158 9.882 1.00 0.00 H new ATOM 0 HD21 LEU A 18 30.868 8.092 8.907 1.00 0.00 H new ATOM 0 HD22 LEU A 18 32.369 8.142 7.953 1.00 0.00 H new ATOM 0 HD23 LEU A 18 31.493 6.606 8.153 1.00 0.00 H new ATOM 293 N LEU A 19 35.295 3.602 9.587 1.00 0.00 N ATOM 294 CA LEU A 19 36.449 2.746 9.315 1.00 0.00 C ATOM 295 C LEU A 19 36.115 1.680 8.270 1.00 0.00 C ATOM 296 O LEU A 19 36.963 1.297 7.461 1.00 0.00 O ATOM 297 CB LEU A 19 36.946 2.067 10.597 1.00 0.00 C ATOM 298 CG LEU A 19 37.225 3.117 11.679 1.00 0.00 C ATOM 299 CD1 LEU A 19 37.637 2.416 12.975 1.00 0.00 C ATOM 300 CD2 LEU A 19 38.360 4.038 11.225 1.00 0.00 C ATOM 0 H LEU A 19 34.966 3.591 10.552 1.00 0.00 H new ATOM 0 HA LEU A 19 37.239 3.387 8.923 1.00 0.00 H new ATOM 0 HB2 LEU A 19 36.200 1.356 10.953 1.00 0.00 H new ATOM 0 HB3 LEU A 19 37.853 1.499 10.388 1.00 0.00 H new ATOM 0 HG LEU A 19 36.323 3.706 11.848 1.00 0.00 H new ATOM 0 HD11 LEU A 19 37.836 3.162 13.745 1.00 0.00 H new ATOM 0 HD12 LEU A 19 36.832 1.759 13.305 1.00 0.00 H new ATOM 0 HD13 LEU A 19 38.537 1.827 12.800 1.00 0.00 H new ATOM 0 HD21 LEU A 19 38.555 4.783 11.997 1.00 0.00 H new ATOM 0 HD22 LEU A 19 39.261 3.448 11.054 1.00 0.00 H new ATOM 0 HD23 LEU A 19 38.074 4.540 10.301 1.00 0.00 H new ATOM 312 N ALA A 20 34.867 1.215 8.272 1.00 0.00 N ATOM 313 CA ALA A 20 34.425 0.263 7.258 1.00 0.00 C ATOM 314 C ALA A 20 34.506 0.869 5.860 1.00 0.00 C ATOM 315 O ALA A 20 34.888 0.195 4.900 1.00 0.00 O ATOM 316 CB ALA A 20 32.986 -0.168 7.544 1.00 0.00 C ATOM 0 H ALA A 20 34.155 1.477 8.953 1.00 0.00 H new ATOM 0 HA ALA A 20 35.085 -0.603 7.297 1.00 0.00 H new ATOM 0 HB1 ALA A 20 32.661 -0.879 6.784 1.00 0.00 H new ATOM 0 HB2 ALA A 20 32.935 -0.638 8.526 1.00 0.00 H new ATOM 0 HB3 ALA A 20 32.334 0.705 7.526 1.00 0.00 H new ATOM 322 N CYS A 21 34.178 2.155 5.753 1.00 0.00 N ATOM 323 CA CYS A 21 34.182 2.807 4.449 1.00 0.00 C ATOM 324 C CYS A 21 35.584 2.814 3.853 1.00 0.00 C ATOM 325 O CYS A 21 35.781 2.441 2.690 1.00 0.00 O ATOM 326 CB CYS A 21 33.676 4.245 4.584 1.00 0.00 C ATOM 327 SG CYS A 21 31.950 4.230 5.127 1.00 0.00 S ATOM 0 H CYS A 21 33.912 2.753 6.535 1.00 0.00 H new ATOM 0 HA CYS A 21 33.523 2.249 3.785 1.00 0.00 H new ATOM 0 HB2 CYS A 21 34.289 4.792 5.301 1.00 0.00 H new ATOM 0 HB3 CYS A 21 33.763 4.764 3.629 1.00 0.00 H new ATOM 0 HG CYS A 21 31.521 5.452 5.244 1.00 0.00 H new ATOM 333 N ILE A 22 36.565 3.220 4.662 1.00 0.00 N ATOM 334 CA ILE A 22 37.942 3.233 4.171 1.00 0.00 C ATOM 335 C ILE A 22 38.398 1.830 3.766 1.00 0.00 C ATOM 336 O ILE A 22 39.180 1.677 2.825 1.00 0.00 O ATOM 337 CB ILE A 22 38.899 3.875 5.189 1.00 0.00 C ATOM 338 CG1 ILE A 22 40.276 4.095 4.537 1.00 0.00 C ATOM 339 CG2 ILE A 22 39.050 3.016 6.447 1.00 0.00 C ATOM 340 CD1 ILE A 22 40.327 5.449 3.819 1.00 0.00 C ATOM 0 H ILE A 22 36.440 3.533 5.625 1.00 0.00 H new ATOM 0 HA ILE A 22 37.968 3.854 3.276 1.00 0.00 H new ATOM 0 HB ILE A 22 38.474 4.832 5.491 1.00 0.00 H new ATOM 0 HG12 ILE A 22 41.055 4.052 5.298 1.00 0.00 H new ATOM 0 HG13 ILE A 22 40.480 3.294 3.827 1.00 0.00 H new ATOM 0 HG21 ILE A 22 39.734 3.504 7.141 1.00 0.00 H new ATOM 0 HG22 ILE A 22 38.077 2.893 6.923 1.00 0.00 H new ATOM 0 HG23 ILE A 22 39.447 2.038 6.174 1.00 0.00 H new ATOM 0 HD11 ILE A 22 41.309 5.584 3.366 1.00 0.00 H new ATOM 0 HD12 ILE A 22 39.562 5.478 3.043 1.00 0.00 H new ATOM 0 HD13 ILE A 22 40.146 6.249 4.537 1.00 0.00 H new ATOM 352 N PHE A 23 37.885 0.796 4.443 1.00 0.00 N ATOM 353 CA PHE A 23 38.208 -0.571 4.046 1.00 0.00 C ATOM 354 C PHE A 23 37.768 -0.851 2.611 1.00 0.00 C ATOM 355 O PHE A 23 38.455 -1.561 1.874 1.00 0.00 O ATOM 356 CB PHE A 23 37.536 -1.570 4.990 1.00 0.00 C ATOM 357 CG PHE A 23 37.937 -3.003 4.731 1.00 0.00 C ATOM 358 CD1 PHE A 23 39.097 -3.523 5.316 1.00 0.00 C ATOM 359 CD2 PHE A 23 37.146 -3.812 3.905 1.00 0.00 C ATOM 360 CE1 PHE A 23 39.468 -4.852 5.075 1.00 0.00 C ATOM 361 CE2 PHE A 23 37.517 -5.141 3.664 1.00 0.00 C ATOM 362 CZ PHE A 23 38.678 -5.661 4.250 1.00 0.00 C ATOM 0 H PHE A 23 37.262 0.879 5.246 1.00 0.00 H new ATOM 0 HA PHE A 23 39.290 -0.685 4.104 1.00 0.00 H new ATOM 0 HB2 PHE A 23 37.786 -1.311 6.019 1.00 0.00 H new ATOM 0 HB3 PHE A 23 36.454 -1.480 4.892 1.00 0.00 H new ATOM 0 HD1 PHE A 23 39.706 -2.899 5.953 1.00 0.00 H new ATOM 0 HD2 PHE A 23 36.250 -3.411 3.454 1.00 0.00 H new ATOM 0 HE1 PHE A 23 40.364 -5.253 5.526 1.00 0.00 H new ATOM 0 HE2 PHE A 23 36.908 -5.765 3.026 1.00 0.00 H new ATOM 0 HZ PHE A 23 38.964 -6.686 4.065 1.00 0.00 H new ATOM 372 N LEU A 24 36.635 -0.271 2.202 1.00 0.00 N ATOM 373 CA LEU A 24 36.198 -0.421 0.816 1.00 0.00 C ATOM 374 C LEU A 24 37.235 0.140 -0.151 1.00 0.00 C ATOM 375 O LEU A 24 37.490 -0.442 -1.210 1.00 0.00 O ATOM 376 CB LEU A 24 34.865 0.303 0.609 1.00 0.00 C ATOM 377 CG LEU A 24 33.812 -0.254 1.572 1.00 0.00 C ATOM 378 CD1 LEU A 24 32.519 0.552 1.430 1.00 0.00 C ATOM 379 CD2 LEU A 24 33.529 -1.720 1.233 1.00 0.00 C ATOM 0 H LEU A 24 36.022 0.290 2.793 1.00 0.00 H new ATOM 0 HA LEU A 24 36.076 -1.485 0.614 1.00 0.00 H new ATOM 0 HB2 LEU A 24 34.993 1.373 0.776 1.00 0.00 H new ATOM 0 HB3 LEU A 24 34.530 0.179 -0.421 1.00 0.00 H new ATOM 0 HG LEU A 24 34.183 -0.181 2.594 1.00 0.00 H new ATOM 0 HD11 LEU A 24 31.768 0.158 2.114 1.00 0.00 H new ATOM 0 HD12 LEU A 24 32.714 1.598 1.668 1.00 0.00 H new ATOM 0 HD13 LEU A 24 32.153 0.475 0.406 1.00 0.00 H new ATOM 0 HD21 LEU A 24 32.780 -2.114 1.919 1.00 0.00 H new ATOM 0 HD22 LEU A 24 33.158 -1.792 0.211 1.00 0.00 H new ATOM 0 HD23 LEU A 24 34.448 -2.299 1.327 1.00 0.00 H new ATOM 391 N ILE A 25 37.874 1.247 0.233 1.00 0.00 N ATOM 392 CA ILE A 25 38.994 1.757 -0.557 1.00 0.00 C ATOM 393 C ILE A 25 40.128 0.729 -0.634 1.00 0.00 C ATOM 394 O ILE A 25 40.818 0.632 -1.652 1.00 0.00 O ATOM 395 CB ILE A 25 39.496 3.088 0.021 1.00 0.00 C ATOM 396 CG1 ILE A 25 38.337 4.093 0.030 1.00 0.00 C ATOM 397 CG2 ILE A 25 40.627 3.647 -0.851 1.00 0.00 C ATOM 398 CD1 ILE A 25 38.720 5.361 0.803 1.00 0.00 C ATOM 0 H ILE A 25 37.643 1.794 1.063 1.00 0.00 H new ATOM 0 HA ILE A 25 38.641 1.936 -1.573 1.00 0.00 H new ATOM 0 HB ILE A 25 39.868 2.923 1.032 1.00 0.00 H new ATOM 0 HG12 ILE A 25 38.068 4.353 -0.994 1.00 0.00 H new ATOM 0 HG13 ILE A 25 37.458 3.637 0.484 1.00 0.00 H new ATOM 0 HG21 ILE A 25 40.976 4.591 -0.433 1.00 0.00 H new ATOM 0 HG22 ILE A 25 41.452 2.935 -0.878 1.00 0.00 H new ATOM 0 HG23 ILE A 25 40.258 3.813 -1.863 1.00 0.00 H new ATOM 0 HD11 ILE A 25 37.882 6.059 0.796 1.00 0.00 H new ATOM 0 HD12 ILE A 25 38.965 5.099 1.832 1.00 0.00 H new ATOM 0 HD13 ILE A 25 39.585 5.827 0.331 1.00 0.00 H new ATOM 410 N ALA A 26 40.298 -0.068 0.422 1.00 0.00 N ATOM 411 CA ALA A 26 41.292 -1.134 0.390 1.00 0.00 C ATOM 412 C ALA A 26 40.981 -2.126 -0.726 1.00 0.00 C ATOM 413 O ALA A 26 41.887 -2.594 -1.423 1.00 0.00 O ATOM 414 CB ALA A 26 41.315 -1.868 1.733 1.00 0.00 C ATOM 0 H ALA A 26 39.771 0.004 1.292 1.00 0.00 H new ATOM 0 HA ALA A 26 42.268 -0.687 0.202 1.00 0.00 H new ATOM 0 HB1 ALA A 26 42.060 -2.663 1.701 1.00 0.00 H new ATOM 0 HB2 ALA A 26 41.568 -1.166 2.527 1.00 0.00 H new ATOM 0 HB3 ALA A 26 40.333 -2.299 1.929 1.00 0.00 H new ATOM 420 N ILE A 27 39.696 -2.428 -0.916 1.00 0.00 N ATOM 421 CA ILE A 27 39.305 -3.320 -2.005 1.00 0.00 C ATOM 422 C ILE A 27 39.736 -2.746 -3.355 1.00 0.00 C ATOM 423 O ILE A 27 40.143 -3.490 -4.250 1.00 0.00 O ATOM 424 CB ILE A 27 37.783 -3.525 -1.994 1.00 0.00 C ATOM 425 CG1 ILE A 27 37.313 -4.031 -0.620 1.00 0.00 C ATOM 426 CG2 ILE A 27 37.385 -4.543 -3.067 1.00 0.00 C ATOM 427 CD1 ILE A 27 38.017 -5.337 -0.217 1.00 0.00 C ATOM 0 H ILE A 27 38.926 -2.078 -0.345 1.00 0.00 H new ATOM 0 HA ILE A 27 39.802 -4.279 -1.858 1.00 0.00 H new ATOM 0 HB ILE A 27 37.308 -2.566 -2.201 1.00 0.00 H new ATOM 0 HG12 ILE A 27 37.506 -3.267 0.133 1.00 0.00 H new ATOM 0 HG13 ILE A 27 36.235 -4.192 -0.642 1.00 0.00 H new ATOM 0 HG21 ILE A 27 36.304 -4.683 -3.053 1.00 0.00 H new ATOM 0 HG22 ILE A 27 37.691 -4.177 -4.047 1.00 0.00 H new ATOM 0 HG23 ILE A 27 37.877 -5.495 -2.866 1.00 0.00 H new ATOM 0 HD11 ILE A 27 37.655 -5.659 0.760 1.00 0.00 H new ATOM 0 HD12 ILE A 27 37.802 -6.109 -0.956 1.00 0.00 H new ATOM 0 HD13 ILE A 27 39.093 -5.170 -0.169 1.00 0.00 H new ATOM 439 N LEU A 28 39.683 -1.419 -3.490 1.00 0.00 N ATOM 440 CA LEU A 28 40.203 -0.783 -4.701 1.00 0.00 C ATOM 441 C LEU A 28 41.692 -1.078 -4.883 1.00 0.00 C ATOM 442 O LEU A 28 42.170 -1.255 -6.006 1.00 0.00 O ATOM 443 CB LEU A 28 39.983 0.732 -4.644 1.00 0.00 C ATOM 444 CG LEU A 28 40.348 1.350 -5.996 1.00 0.00 C ATOM 445 CD1 LEU A 28 39.284 0.980 -7.030 1.00 0.00 C ATOM 446 CD2 LEU A 28 40.414 2.873 -5.856 1.00 0.00 C ATOM 0 H LEU A 28 39.296 -0.779 -2.796 1.00 0.00 H new ATOM 0 HA LEU A 28 39.661 -1.195 -5.552 1.00 0.00 H new ATOM 0 HB2 LEU A 28 38.943 0.951 -4.401 1.00 0.00 H new ATOM 0 HB3 LEU A 28 40.594 1.170 -3.855 1.00 0.00 H new ATOM 0 HG LEU A 28 41.317 0.970 -6.321 1.00 0.00 H new ATOM 0 HD11 LEU A 28 39.544 1.420 -7.993 1.00 0.00 H new ATOM 0 HD12 LEU A 28 39.234 -0.104 -7.128 1.00 0.00 H new ATOM 0 HD13 LEU A 28 38.315 1.360 -6.707 1.00 0.00 H new ATOM 0 HD21 LEU A 28 40.674 3.316 -6.818 1.00 0.00 H new ATOM 0 HD22 LEU A 28 39.444 3.251 -5.533 1.00 0.00 H new ATOM 0 HD23 LEU A 28 41.171 3.138 -5.118 1.00 0.00 H new ATOM 458 N ALA A 29 42.419 -1.179 -3.769 1.00 0.00 N ATOM 459 CA ALA A 29 43.830 -1.548 -3.831 1.00 0.00 C ATOM 460 C ALA A 29 44.003 -2.937 -4.437 1.00 0.00 C ATOM 461 O ALA A 29 44.923 -3.175 -5.222 1.00 0.00 O ATOM 462 CB ALA A 29 44.438 -1.523 -2.428 1.00 0.00 C ATOM 0 H ALA A 29 42.060 -1.013 -2.829 1.00 0.00 H new ATOM 0 HA ALA A 29 44.343 -0.825 -4.465 1.00 0.00 H new ATOM 0 HB1 ALA A 29 45.491 -1.799 -2.483 1.00 0.00 H new ATOM 0 HB2 ALA A 29 44.347 -0.520 -2.010 1.00 0.00 H new ATOM 0 HB3 ALA A 29 43.910 -2.231 -1.790 1.00 0.00 H new ATOM 468 N ALA A 30 43.091 -3.846 -4.096 1.00 0.00 N ATOM 469 CA ALA A 30 43.135 -5.188 -4.668 1.00 0.00 C ATOM 470 C ALA A 30 42.992 -5.133 -6.187 1.00 0.00 C ATOM 471 O ALA A 30 43.662 -5.871 -6.911 1.00 0.00 O ATOM 472 CB ALA A 30 42.013 -6.043 -4.079 1.00 0.00 C ATOM 0 H ALA A 30 42.328 -3.682 -3.440 1.00 0.00 H new ATOM 0 HA ALA A 30 44.099 -5.633 -4.423 1.00 0.00 H new ATOM 0 HB1 ALA A 30 42.053 -7.043 -4.511 1.00 0.00 H new ATOM 0 HB2 ALA A 30 42.135 -6.110 -2.998 1.00 0.00 H new ATOM 0 HB3 ALA A 30 41.050 -5.587 -4.308 1.00 0.00 H new ATOM 478 N SER A 31 42.139 -4.231 -6.670 1.00 0.00 N ATOM 479 CA SER A 31 41.990 -4.050 -8.111 1.00 0.00 C ATOM 480 C SER A 31 43.316 -3.645 -8.752 1.00 0.00 C ATOM 481 O SER A 31 43.654 -4.103 -9.846 1.00 0.00 O ATOM 482 CB SER A 31 40.939 -2.976 -8.393 1.00 0.00 C ATOM 483 OG SER A 31 39.727 -3.326 -7.741 1.00 0.00 O ATOM 0 H SER A 31 41.551 -3.625 -6.097 1.00 0.00 H new ATOM 0 HA SER A 31 41.672 -4.999 -8.542 1.00 0.00 H new ATOM 0 HB2 SER A 31 41.289 -2.006 -8.040 1.00 0.00 H new ATOM 0 HB3 SER A 31 40.775 -2.884 -9.467 1.00 0.00 H new ATOM 0 HG SER A 31 39.050 -2.639 -7.918 1.00 0.00 H new ATOM 489 N ALA A 32 44.091 -2.817 -8.052 1.00 0.00 N ATOM 490 CA ALA A 32 45.400 -2.428 -8.563 1.00 0.00 C ATOM 491 C ALA A 32 46.297 -3.650 -8.724 1.00 0.00 C ATOM 492 O ALA A 32 47.024 -3.777 -9.713 1.00 0.00 O ATOM 493 CB ALA A 32 46.058 -1.432 -7.606 1.00 0.00 C ATOM 0 H ALA A 32 43.841 -2.412 -7.150 1.00 0.00 H new ATOM 0 HA ALA A 32 45.265 -1.960 -9.538 1.00 0.00 H new ATOM 0 HB1 ALA A 32 47.036 -1.146 -7.994 1.00 0.00 H new ATOM 0 HB2 ALA A 32 45.430 -0.546 -7.515 1.00 0.00 H new ATOM 0 HB3 ALA A 32 46.178 -1.894 -6.626 1.00 0.00 H new ATOM 499 N LEU A 33 46.230 -4.563 -7.754 1.00 0.00 N ATOM 500 CA LEU A 33 47.042 -5.772 -7.832 1.00 0.00 C ATOM 501 C LEU A 33 46.705 -6.577 -9.083 1.00 0.00 C ATOM 502 O LEU A 33 47.593 -7.151 -9.717 1.00 0.00 O ATOM 503 CB LEU A 33 46.809 -6.635 -6.590 1.00 0.00 C ATOM 504 CG LEU A 33 47.776 -7.822 -6.595 1.00 0.00 C ATOM 505 CD1 LEU A 33 49.196 -7.324 -6.322 1.00 0.00 C ATOM 506 CD2 LEU A 33 47.368 -8.814 -5.504 1.00 0.00 C ATOM 0 H LEU A 33 45.638 -4.491 -6.927 1.00 0.00 H new ATOM 0 HA LEU A 33 48.090 -5.476 -7.883 1.00 0.00 H new ATOM 0 HB2 LEU A 33 46.955 -6.039 -5.689 1.00 0.00 H new ATOM 0 HB3 LEU A 33 45.780 -6.993 -6.572 1.00 0.00 H new ATOM 0 HG LEU A 33 47.743 -8.314 -7.567 1.00 0.00 H new ATOM 0 HD11 LEU A 33 49.885 -8.169 -6.325 1.00 0.00 H new ATOM 0 HD12 LEU A 33 49.488 -6.615 -7.096 1.00 0.00 H new ATOM 0 HD13 LEU A 33 49.229 -6.833 -5.349 1.00 0.00 H new ATOM 0 HD21 LEU A 33 48.055 -9.660 -5.506 1.00 0.00 H new ATOM 0 HD22 LEU A 33 47.402 -8.321 -4.533 1.00 0.00 H new ATOM 0 HD23 LEU A 33 46.355 -9.169 -5.695 1.00 0.00 H new ATOM 518 N TRP A 34 45.424 -6.596 -9.460 1.00 0.00 N ATOM 519 CA TRP A 34 45.036 -7.234 -10.718 1.00 0.00 C ATOM 520 C TRP A 34 45.722 -6.578 -11.916 1.00 0.00 C ATOM 521 O TRP A 34 46.063 -7.249 -12.893 1.00 0.00 O ATOM 522 CB TRP A 34 43.518 -7.186 -10.898 1.00 0.00 C ATOM 523 CG TRP A 34 42.787 -8.157 -10.025 1.00 0.00 C ATOM 524 CD1 TRP A 34 42.172 -7.846 -8.861 1.00 0.00 C ATOM 525 CD2 TRP A 34 42.581 -9.586 -10.228 1.00 0.00 C ATOM 526 NE1 TRP A 34 41.605 -8.991 -8.334 1.00 0.00 N ATOM 527 CE2 TRP A 34 41.829 -10.090 -9.139 1.00 0.00 C ATOM 528 CE3 TRP A 34 42.970 -10.483 -11.237 1.00 0.00 C ATOM 529 CZ2 TRP A 34 41.475 -11.440 -9.058 1.00 0.00 C ATOM 530 CZ3 TRP A 34 42.617 -11.839 -11.159 1.00 0.00 C ATOM 531 CH2 TRP A 34 41.872 -12.317 -10.072 1.00 0.00 C ATOM 0 H TRP A 34 44.656 -6.188 -8.927 1.00 0.00 H new ATOM 0 HA TRP A 34 45.359 -8.274 -10.670 1.00 0.00 H new ATOM 0 HB2 TRP A 34 43.165 -6.177 -10.682 1.00 0.00 H new ATOM 0 HB3 TRP A 34 43.276 -7.392 -11.941 1.00 0.00 H new ATOM 0 HD1 TRP A 34 42.131 -6.863 -8.416 1.00 0.00 H new ATOM 0 HE1 TRP A 34 41.085 -9.020 -7.457 1.00 0.00 H new ATOM 0 HE3 TRP A 34 43.545 -10.126 -12.079 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 40.900 -11.803 -8.219 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 42.921 -12.519 -11.941 1.00 0.00 H new ATOM 0 HH2 TRP A 34 41.605 -13.362 -10.018 1.00 0.00 H new ATOM 542 N ALA A 35 45.976 -5.272 -11.819 1.00 0.00 N ATOM 543 CA ALA A 35 46.689 -4.574 -12.883 1.00 0.00 C ATOM 544 C ALA A 35 48.088 -5.153 -13.062 1.00 0.00 C ATOM 545 O ALA A 35 48.571 -5.302 -14.185 1.00 0.00 O ATOM 546 CB ALA A 35 46.790 -3.083 -12.554 1.00 0.00 C ATOM 0 H ALA A 35 45.703 -4.687 -11.029 1.00 0.00 H new ATOM 0 HA ALA A 35 46.133 -4.704 -13.812 1.00 0.00 H new ATOM 0 HB1 ALA A 35 47.324 -2.569 -13.354 1.00 0.00 H new ATOM 0 HB2 ALA A 35 45.789 -2.663 -12.458 1.00 0.00 H new ATOM 0 HB3 ALA A 35 47.330 -2.953 -11.616 1.00 0.00 H new ATOM 552 N ALA A 36 48.734 -5.475 -11.945 1.00 0.00 N ATOM 553 CA ALA A 36 50.033 -6.141 -12.000 1.00 0.00 C ATOM 554 C ALA A 36 49.930 -7.511 -12.667 1.00 0.00 C ATOM 555 O ALA A 36 50.827 -7.922 -13.403 1.00 0.00 O ATOM 556 CB ALA A 36 50.591 -6.301 -10.585 1.00 0.00 C ATOM 0 H ALA A 36 48.387 -5.290 -11.004 1.00 0.00 H new ATOM 0 HA ALA A 36 50.704 -5.522 -12.596 1.00 0.00 H new ATOM 0 HB1 ALA A 36 51.560 -6.798 -10.630 1.00 0.00 H new ATOM 0 HB2 ALA A 36 50.708 -5.319 -10.127 1.00 0.00 H new ATOM 0 HB3 ALA A 36 49.903 -6.900 -9.988 1.00 0.00 H new ATOM 562 N ALA A 37 48.831 -8.214 -12.403 1.00 0.00 N ATOM 563 CA ALA A 37 48.605 -9.525 -13.010 1.00 0.00 C ATOM 564 C ALA A 37 48.550 -9.456 -14.536 1.00 0.00 C ATOM 565 O ALA A 37 48.934 -10.407 -15.218 1.00 0.00 O ATOM 566 CB ALA A 37 47.295 -10.114 -12.485 1.00 0.00 C ATOM 0 H ALA A 37 48.088 -7.902 -11.778 1.00 0.00 H new ATOM 0 HA ALA A 37 49.447 -10.160 -12.736 1.00 0.00 H new ATOM 0 HB1 ALA A 37 47.128 -11.091 -12.938 1.00 0.00 H new ATOM 0 HB2 ALA A 37 47.353 -10.222 -11.402 1.00 0.00 H new ATOM 0 HB3 ALA A 37 46.469 -9.450 -12.740 1.00 0.00 H new ATOM 572 N TRP A 38 48.075 -8.334 -15.068 1.00 0.00 N ATOM 573 CA TRP A 38 47.950 -8.183 -16.515 1.00 0.00 C ATOM 574 C TRP A 38 49.279 -8.395 -17.242 1.00 0.00 C ATOM 575 O TRP A 38 49.284 -8.795 -18.407 1.00 0.00 O ATOM 576 CB TRP A 38 47.416 -6.786 -16.839 1.00 0.00 C ATOM 577 CG TRP A 38 47.190 -6.553 -18.300 1.00 0.00 C ATOM 578 CD1 TRP A 38 48.026 -5.870 -19.114 1.00 0.00 C ATOM 579 CD2 TRP A 38 46.073 -6.988 -19.132 1.00 0.00 C ATOM 580 NE1 TRP A 38 47.497 -5.858 -20.391 1.00 0.00 N ATOM 581 CE2 TRP A 38 46.295 -6.533 -20.455 1.00 0.00 C ATOM 582 CE3 TRP A 38 44.905 -7.725 -18.871 1.00 0.00 C ATOM 583 CZ2 TRP A 38 45.387 -6.801 -21.482 1.00 0.00 C ATOM 584 CZ3 TRP A 38 43.991 -7.995 -19.900 1.00 0.00 C ATOM 585 CH2 TRP A 38 44.229 -7.535 -21.202 1.00 0.00 C ATOM 0 H TRP A 38 47.773 -7.524 -14.527 1.00 0.00 H new ATOM 0 HA TRP A 38 47.258 -8.950 -16.862 1.00 0.00 H new ATOM 0 HB2 TRP A 38 46.478 -6.633 -16.306 1.00 0.00 H new ATOM 0 HB3 TRP A 38 48.120 -6.042 -16.466 1.00 0.00 H new ATOM 0 HD1 TRP A 38 48.956 -5.409 -18.815 1.00 0.00 H new ATOM 0 HE1 TRP A 38 47.941 -5.405 -21.190 1.00 0.00 H new ATOM 0 HE3 TRP A 38 44.710 -8.086 -17.872 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 45.577 -6.445 -22.484 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 43.097 -8.562 -19.687 1.00 0.00 H new ATOM 0 HH2 TRP A 38 43.520 -7.747 -21.988 1.00 0.00 H new ATOM 596 N HIS A 39 50.399 -8.132 -16.568 1.00 0.00 N ATOM 597 CA HIS A 39 51.706 -8.330 -17.190 1.00 0.00 C ATOM 598 C HIS A 39 51.879 -9.783 -17.623 1.00 0.00 C ATOM 599 O HIS A 39 51.449 -10.699 -16.923 1.00 0.00 O ATOM 600 CB HIS A 39 52.816 -7.953 -16.208 1.00 0.00 C ATOM 601 CG HIS A 39 52.744 -6.524 -15.740 1.00 0.00 C ATOM 602 ND1 HIS A 39 52.856 -5.455 -16.614 1.00 0.00 N ATOM 603 CD2 HIS A 39 52.576 -5.974 -14.493 1.00 0.00 C ATOM 604 CE1 HIS A 39 52.754 -4.327 -15.890 1.00 0.00 C ATOM 605 NE2 HIS A 39 52.582 -4.584 -14.591 1.00 0.00 N ATOM 0 H HIS A 39 50.428 -7.787 -15.608 1.00 0.00 H new ATOM 0 HA HIS A 39 51.768 -7.690 -18.070 1.00 0.00 H new ATOM 0 HB2 HIS A 39 52.764 -8.613 -15.342 1.00 0.00 H new ATOM 0 HB3 HIS A 39 53.783 -8.124 -16.682 1.00 0.00 H new ATOM 0 HD2 HIS A 39 52.457 -6.533 -13.577 1.00 0.00 H new ATOM 0 HE1 HIS A 39 52.805 -3.333 -16.309 1.00 0.00 H new ATOM 0 HE2 HIS A 39 52.478 -3.909 -13.834 1.00 0.00 H new ATOM 613 N GLY A 40 52.507 -9.992 -18.776 1.00 0.00 N ATOM 614 CA GLY A 40 52.866 -11.345 -19.197 1.00 0.00 C ATOM 615 C GLY A 40 53.828 -12.011 -18.209 1.00 0.00 C ATOM 616 O GLY A 40 53.788 -13.226 -18.013 1.00 0.00 O ATOM 0 H GLY A 40 52.775 -9.255 -19.428 1.00 0.00 H new ATOM 0 HA2 GLY A 40 51.963 -11.949 -19.289 1.00 0.00 H new ATOM 0 HA3 GLY A 40 53.326 -11.308 -20.184 1.00 0.00 H new ATOM 620 N GLN A 41 54.690 -11.204 -17.591 1.00 0.00 N ATOM 621 CA GLN A 41 55.673 -11.706 -16.639 1.00 0.00 C ATOM 622 C GLN A 41 55.008 -12.441 -15.481 1.00 0.00 C ATOM 623 O GLN A 41 53.909 -12.086 -15.055 1.00 0.00 O ATOM 624 CB GLN A 41 56.509 -10.545 -16.095 1.00 0.00 C ATOM 625 CG GLN A 41 57.318 -9.922 -17.235 1.00 0.00 C ATOM 626 CD GLN A 41 58.098 -8.706 -16.738 1.00 0.00 C ATOM 627 OE1 GLN A 41 57.784 -8.144 -15.689 1.00 0.00 O ATOM 628 NE2 GLN A 41 59.107 -8.264 -17.438 1.00 0.00 N ATOM 0 H GLN A 41 54.725 -10.195 -17.736 1.00 0.00 H new ATOM 0 HA GLN A 41 56.315 -12.412 -17.165 1.00 0.00 H new ATOM 0 HB2 GLN A 41 55.859 -9.795 -15.643 1.00 0.00 H new ATOM 0 HB3 GLN A 41 57.178 -10.900 -15.311 1.00 0.00 H new ATOM 0 HG2 GLN A 41 58.007 -10.660 -17.645 1.00 0.00 H new ATOM 0 HG3 GLN A 41 56.649 -9.626 -18.044 1.00 0.00 H new ATOM 0 HE21 GLN A 41 59.367 -8.730 -18.307 1.00 0.00 H new ATOM 0 HE22 GLN A 41 59.635 -7.453 -17.116 1.00 0.00 H new ATOM 637 N LYS A 42 55.685 -13.470 -14.977 1.00 0.00 N ATOM 638 CA LYS A 42 55.217 -14.184 -13.791 1.00 0.00 C ATOM 639 C LYS A 42 55.038 -13.204 -12.626 1.00 0.00 C ATOM 640 O LYS A 42 55.776 -12.221 -12.547 1.00 0.00 O ATOM 641 CB LYS A 42 56.225 -15.267 -13.399 1.00 0.00 C ATOM 642 CG LYS A 42 56.350 -16.287 -14.534 1.00 0.00 C ATOM 643 CD LYS A 42 57.689 -17.019 -14.418 1.00 0.00 C ATOM 644 CE LYS A 42 58.806 -16.135 -14.975 1.00 0.00 C ATOM 645 NZ LYS A 42 60.096 -16.880 -14.935 1.00 0.00 N ATOM 0 H LYS A 42 56.556 -13.827 -15.369 1.00 0.00 H new ATOM 0 HA LYS A 42 54.259 -14.651 -14.018 1.00 0.00 H new ATOM 0 HB2 LYS A 42 57.196 -14.817 -13.193 1.00 0.00 H new ATOM 0 HB3 LYS A 42 55.903 -15.764 -12.484 1.00 0.00 H new ATOM 0 HG2 LYS A 42 55.528 -17.001 -14.487 1.00 0.00 H new ATOM 0 HG3 LYS A 42 56.281 -15.784 -15.498 1.00 0.00 H new ATOM 0 HD2 LYS A 42 57.892 -17.265 -13.376 1.00 0.00 H new ATOM 0 HD3 LYS A 42 57.649 -17.961 -14.966 1.00 0.00 H new ATOM 0 HE2 LYS A 42 58.575 -15.841 -15.999 1.00 0.00 H new ATOM 0 HE3 LYS A 42 58.885 -15.219 -14.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 60.856 -16.279 -15.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 60.317 -17.139 -13.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 60.017 -17.742 -15.511 1.00 0.00 H new ATOM 659 N PRO A 43 54.082 -13.416 -11.746 1.00 0.00 N ATOM 660 CA PRO A 43 53.806 -12.438 -10.645 1.00 0.00 C ATOM 661 C PRO A 43 55.032 -12.168 -9.769 1.00 0.00 C ATOM 662 O PRO A 43 55.129 -11.112 -9.144 1.00 0.00 O ATOM 663 CB PRO A 43 52.675 -13.082 -9.831 1.00 0.00 C ATOM 664 CG PRO A 43 52.673 -14.523 -10.210 1.00 0.00 C ATOM 665 CD PRO A 43 53.186 -14.584 -11.646 1.00 0.00 C ATOM 0 HA PRO A 43 53.535 -11.461 -11.046 1.00 0.00 H new ATOM 0 HB2 PRO A 43 52.844 -12.959 -8.761 1.00 0.00 H new ATOM 0 HB3 PRO A 43 51.716 -12.617 -10.058 1.00 0.00 H new ATOM 0 HG2 PRO A 43 53.312 -15.102 -9.543 1.00 0.00 H new ATOM 0 HG3 PRO A 43 51.670 -14.944 -10.136 1.00 0.00 H new ATOM 0 HD2 PRO A 43 53.718 -15.515 -11.842 1.00 0.00 H new ATOM 0 HD3 PRO A 43 52.370 -14.526 -12.366 1.00 0.00 H new ATOM 673 N GLY A 44 55.964 -13.116 -9.726 1.00 0.00 N ATOM 674 CA GLY A 44 57.159 -12.959 -8.897 1.00 0.00 C ATOM 675 C GLY A 44 57.948 -11.695 -9.246 1.00 0.00 C ATOM 676 O GLY A 44 58.618 -11.121 -8.387 1.00 0.00 O ATOM 0 H GLY A 44 55.918 -13.991 -10.248 1.00 0.00 H new ATOM 0 HA2 GLY A 44 56.868 -12.924 -7.847 1.00 0.00 H new ATOM 0 HA3 GLY A 44 57.801 -13.831 -9.021 1.00 0.00 H new ATOM 680 N THR A 45 57.870 -11.263 -10.501 1.00 0.00 N ATOM 681 CA THR A 45 58.567 -10.059 -10.938 1.00 0.00 C ATOM 682 C THR A 45 58.142 -8.854 -10.104 1.00 0.00 C ATOM 683 O THR A 45 56.985 -8.745 -9.697 1.00 0.00 O ATOM 684 CB THR A 45 58.270 -9.790 -12.415 1.00 0.00 C ATOM 685 OG1 THR A 45 58.571 -10.952 -13.174 1.00 0.00 O ATOM 686 CG2 THR A 45 59.129 -8.622 -12.907 1.00 0.00 C ATOM 0 H THR A 45 57.332 -11.728 -11.232 1.00 0.00 H new ATOM 0 HA THR A 45 59.637 -10.216 -10.804 1.00 0.00 H new ATOM 0 HB THR A 45 57.216 -9.538 -12.534 1.00 0.00 H new ATOM 0 HG1 THR A 45 57.798 -11.554 -13.171 1.00 0.00 H new ATOM 0 HG21 THR A 45 58.916 -8.432 -13.959 1.00 0.00 H new ATOM 0 HG22 THR A 45 58.900 -7.730 -12.323 1.00 0.00 H new ATOM 0 HG23 THR A 45 60.184 -8.871 -12.789 1.00 0.00 H new ATOM 694 N HIS A 46 59.087 -7.951 -9.853 1.00 0.00 N ATOM 695 CA HIS A 46 58.796 -6.745 -9.084 1.00 0.00 C ATOM 696 C HIS A 46 57.661 -5.956 -9.730 1.00 0.00 C ATOM 697 O HIS A 46 56.803 -5.486 -9.002 1.00 0.00 O ATOM 698 CB HIS A 46 60.048 -5.869 -8.999 1.00 0.00 C ATOM 699 CG HIS A 46 59.841 -4.595 -8.223 1.00 0.00 C ATOM 700 ND1 HIS A 46 59.538 -3.394 -8.845 1.00 0.00 N ATOM 701 CD2 HIS A 46 59.888 -4.321 -6.878 1.00 0.00 C ATOM 702 CE1 HIS A 46 59.416 -2.461 -7.885 1.00 0.00 C ATOM 703 NE2 HIS A 46 59.619 -2.970 -6.667 1.00 0.00 N ATOM 704 OXT HIS A 46 57.668 -5.833 -10.944 1.00 0.00 O ATOM 0 H HIS A 46 60.054 -8.031 -10.168 1.00 0.00 H new ATOM 0 HA HIS A 46 58.489 -7.040 -8.081 1.00 0.00 H new ATOM 0 HB2 HIS A 46 60.851 -6.441 -8.534 1.00 0.00 H new ATOM 0 HB3 HIS A 46 60.377 -5.621 -10.008 1.00 0.00 H new ATOM 0 HD2 HIS A 46 60.101 -5.042 -6.103 1.00 0.00 H new ATOM 0 HE1 HIS A 46 59.182 -1.424 -8.076 1.00 0.00 H new ATOM 0 HE2 HIS A 46 59.585 -2.476 -5.775 1.00 0.00 H new TER 712 HIS A 46