USER MOD reduce.3.24.130724 H: found=0, std=0, add=367, rem=0, adj=7 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= -0.108 USER MOD Single : A 13 THR OG1 : rot -153:sc= 0.909 USER MOD Single : A 14 SER OG : rot 180:sc= 0 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= -0.494 X(o=-0.49,f=-0.055) USER MOD Single : A 41 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 42 LYS NZ :NH3+ 163:sc= -0.0172 (180deg=-0.358) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 23.602 -2.948 12.062 1.00 0.00 N ATOM 2 CA ARG A 1 22.117 -2.839 12.123 1.00 0.00 C ATOM 3 C ARG A 1 21.603 -3.564 13.362 1.00 0.00 C ATOM 4 O ARG A 1 21.105 -2.939 14.298 1.00 0.00 O ATOM 5 CB ARG A 1 21.513 -3.461 10.860 1.00 0.00 C ATOM 6 CG ARG A 1 19.995 -3.271 10.870 1.00 0.00 C ATOM 7 CD ARG A 1 19.385 -3.955 9.645 1.00 0.00 C ATOM 8 NE ARG A 1 17.945 -3.686 9.576 1.00 0.00 N ATOM 9 CZ ARG A 1 17.425 -2.570 9.043 1.00 0.00 C ATOM 10 NH1 ARG A 1 18.176 -1.622 8.535 1.00 0.00 N ATOM 11 NH2 ARG A 1 16.129 -2.423 9.029 1.00 0.00 N ATOM 0 H1 ARG A 1 23.952 -2.453 11.217 1.00 0.00 H new ATOM 0 H2 ARG A 1 24.017 -2.516 12.912 1.00 0.00 H new ATOM 0 H3 ARG A 1 23.875 -3.950 12.014 1.00 0.00 H new ATOM 0 HA ARG A 1 21.826 -1.790 12.181 1.00 0.00 H new ATOM 0 HB2 ARG A 1 21.942 -2.996 9.972 1.00 0.00 H new ATOM 0 HB3 ARG A 1 21.757 -4.522 10.813 1.00 0.00 H new ATOM 0 HG2 ARG A 1 19.572 -3.691 11.782 1.00 0.00 H new ATOM 0 HG3 ARG A 1 19.751 -2.209 10.865 1.00 0.00 H new ATOM 0 HD2 ARG A 1 19.873 -3.596 8.739 1.00 0.00 H new ATOM 0 HD3 ARG A 1 19.559 -5.030 9.696 1.00 0.00 H new ATOM 0 HE ARG A 1 17.305 -4.385 9.953 1.00 0.00 H new ATOM 0 HH11 ARG A 1 19.191 -1.720 8.537 1.00 0.00 H new ATOM 0 HH12 ARG A 1 17.745 -0.787 8.138 1.00 0.00 H new ATOM 0 HH21 ARG A 1 15.529 -3.150 9.419 1.00 0.00 H new ATOM 0 HH22 ARG A 1 15.716 -1.581 8.628 1.00 0.00 H new ATOM 25 N SER A 2 21.727 -4.888 13.362 1.00 0.00 N ATOM 26 CA SER A 2 21.238 -5.695 14.473 1.00 0.00 C ATOM 27 C SER A 2 21.873 -5.266 15.793 1.00 0.00 C ATOM 28 O SER A 2 23.039 -4.876 15.840 1.00 0.00 O ATOM 29 CB SER A 2 21.546 -7.170 14.216 1.00 0.00 C ATOM 30 OG SER A 2 20.954 -7.956 15.242 1.00 0.00 O ATOM 0 H SER A 2 22.160 -5.422 12.608 1.00 0.00 H new ATOM 0 HA SER A 2 20.161 -5.548 14.547 1.00 0.00 H new ATOM 0 HB2 SER A 2 21.159 -7.470 13.242 1.00 0.00 H new ATOM 0 HB3 SER A 2 22.624 -7.331 14.194 1.00 0.00 H new ATOM 0 HG SER A 2 21.147 -8.903 15.081 1.00 0.00 H new ATOM 36 N LEU A 3 21.086 -5.343 16.861 1.00 0.00 N ATOM 37 CA LEU A 3 21.581 -5.056 18.208 1.00 0.00 C ATOM 38 C LEU A 3 22.774 -5.943 18.589 1.00 0.00 C ATOM 39 O LEU A 3 23.571 -5.576 19.453 1.00 0.00 O ATOM 40 CB LEU A 3 20.443 -5.247 19.217 1.00 0.00 C ATOM 41 CG LEU A 3 20.812 -4.620 20.577 1.00 0.00 C ATOM 42 CD1 LEU A 3 19.564 -4.023 21.239 1.00 0.00 C ATOM 43 CD2 LEU A 3 21.402 -5.683 21.516 1.00 0.00 C ATOM 0 H LEU A 3 20.100 -5.602 16.822 1.00 0.00 H new ATOM 0 HA LEU A 3 21.929 -4.023 18.224 1.00 0.00 H new ATOM 0 HB2 LEU A 3 19.531 -4.789 18.835 1.00 0.00 H new ATOM 0 HB3 LEU A 3 20.237 -6.310 19.344 1.00 0.00 H new ATOM 0 HG LEU A 3 21.550 -3.838 20.399 1.00 0.00 H new ATOM 0 HD11 LEU A 3 19.836 -3.583 22.198 1.00 0.00 H new ATOM 0 HD12 LEU A 3 19.143 -3.253 20.593 1.00 0.00 H new ATOM 0 HD13 LEU A 3 18.825 -4.808 21.397 1.00 0.00 H new ATOM 0 HD21 LEU A 3 21.657 -5.224 22.471 1.00 0.00 H new ATOM 0 HD22 LEU A 3 20.669 -6.473 21.678 1.00 0.00 H new ATOM 0 HD23 LEU A 3 22.300 -6.108 21.067 1.00 0.00 H new ATOM 55 N LEU A 4 22.892 -7.108 17.955 1.00 0.00 N ATOM 56 CA LEU A 4 23.932 -8.076 18.297 1.00 0.00 C ATOM 57 C LEU A 4 25.339 -7.478 18.190 1.00 0.00 C ATOM 58 O LEU A 4 26.270 -7.978 18.823 1.00 0.00 O ATOM 59 CB LEU A 4 23.823 -9.302 17.384 1.00 0.00 C ATOM 60 CG LEU A 4 22.426 -9.922 17.499 1.00 0.00 C ATOM 61 CD1 LEU A 4 22.308 -11.093 16.521 1.00 0.00 C ATOM 62 CD2 LEU A 4 22.195 -10.436 18.922 1.00 0.00 C ATOM 0 H LEU A 4 22.277 -7.405 17.198 1.00 0.00 H new ATOM 0 HA LEU A 4 23.776 -8.368 19.336 1.00 0.00 H new ATOM 0 HB2 LEU A 4 24.018 -9.014 16.351 1.00 0.00 H new ATOM 0 HB3 LEU A 4 24.579 -10.037 17.658 1.00 0.00 H new ATOM 0 HG LEU A 4 21.681 -9.162 17.264 1.00 0.00 H new ATOM 0 HD11 LEU A 4 21.315 -11.535 16.601 1.00 0.00 H new ATOM 0 HD12 LEU A 4 22.464 -10.735 15.504 1.00 0.00 H new ATOM 0 HD13 LEU A 4 23.060 -11.844 16.761 1.00 0.00 H new ATOM 0 HD21 LEU A 4 21.200 -10.875 18.993 1.00 0.00 H new ATOM 0 HD22 LEU A 4 22.943 -11.192 19.162 1.00 0.00 H new ATOM 0 HD23 LEU A 4 22.278 -9.608 19.626 1.00 0.00 H new ATOM 74 N GLU A 5 25.499 -6.414 17.404 1.00 0.00 N ATOM 75 CA GLU A 5 26.825 -5.830 17.191 1.00 0.00 C ATOM 76 C GLU A 5 27.356 -5.140 18.458 1.00 0.00 C ATOM 77 O GLU A 5 28.566 -4.983 18.617 1.00 0.00 O ATOM 78 CB GLU A 5 26.759 -4.818 16.045 1.00 0.00 C ATOM 79 CG GLU A 5 28.178 -4.448 15.602 1.00 0.00 C ATOM 80 CD GLU A 5 28.854 -5.624 14.895 1.00 0.00 C ATOM 81 OE1 GLU A 5 28.153 -6.460 14.345 1.00 0.00 O ATOM 82 OE2 GLU A 5 30.073 -5.673 14.918 1.00 0.00 O ATOM 0 H GLU A 5 24.740 -5.944 16.910 1.00 0.00 H new ATOM 0 HA GLU A 5 27.511 -6.639 16.940 1.00 0.00 H new ATOM 0 HB2 GLU A 5 26.204 -5.239 15.207 1.00 0.00 H new ATOM 0 HB3 GLU A 5 26.223 -3.925 16.366 1.00 0.00 H new ATOM 0 HG2 GLU A 5 28.142 -3.588 14.933 1.00 0.00 H new ATOM 0 HG3 GLU A 5 28.768 -4.152 16.469 1.00 0.00 H new ATOM 89 N GLY A 6 26.462 -4.738 19.362 1.00 0.00 N ATOM 90 CA GLY A 6 26.861 -4.339 20.709 1.00 0.00 C ATOM 91 C GLY A 6 27.566 -2.984 20.786 1.00 0.00 C ATOM 92 O GLY A 6 27.931 -2.559 21.883 1.00 0.00 O ATOM 0 H GLY A 6 25.459 -4.681 19.185 1.00 0.00 H new ATOM 0 HA2 GLY A 6 25.975 -4.310 21.343 1.00 0.00 H new ATOM 0 HA3 GLY A 6 27.522 -5.102 21.120 1.00 0.00 H new ATOM 96 N GLU A 7 27.765 -2.302 19.655 1.00 0.00 N ATOM 97 CA GLU A 7 28.441 -1.000 19.682 1.00 0.00 C ATOM 98 C GLU A 7 27.717 -0.039 20.623 1.00 0.00 C ATOM 99 O GLU A 7 26.487 -0.045 20.702 1.00 0.00 O ATOM 100 CB GLU A 7 28.497 -0.397 18.276 1.00 0.00 C ATOM 101 CG GLU A 7 29.351 -1.290 17.370 1.00 0.00 C ATOM 102 CD GLU A 7 29.513 -0.693 15.969 1.00 0.00 C ATOM 103 OE1 GLU A 7 28.829 0.267 15.646 1.00 0.00 O ATOM 104 OE2 GLU A 7 30.332 -1.213 15.229 1.00 0.00 O ATOM 0 H GLU A 7 27.476 -2.619 18.729 1.00 0.00 H new ATOM 0 HA GLU A 7 29.457 -1.154 20.045 1.00 0.00 H new ATOM 0 HB2 GLU A 7 27.490 -0.304 17.868 1.00 0.00 H new ATOM 0 HB3 GLU A 7 28.919 0.607 18.316 1.00 0.00 H new ATOM 0 HG2 GLU A 7 30.333 -1.431 17.821 1.00 0.00 H new ATOM 0 HG3 GLU A 7 28.891 -2.275 17.294 1.00 0.00 H new ATOM 111 N ILE A 8 28.481 0.786 21.338 1.00 0.00 N ATOM 112 CA ILE A 8 27.893 1.717 22.302 1.00 0.00 C ATOM 113 C ILE A 8 26.890 2.632 21.580 1.00 0.00 C ATOM 114 O ILE A 8 27.165 3.038 20.449 1.00 0.00 O ATOM 115 CB ILE A 8 29.011 2.546 22.957 1.00 0.00 C ATOM 116 CG1 ILE A 8 30.040 1.622 23.620 1.00 0.00 C ATOM 117 CG2 ILE A 8 28.435 3.466 24.034 1.00 0.00 C ATOM 118 CD1 ILE A 8 31.295 2.423 23.975 1.00 0.00 C ATOM 0 H ILE A 8 29.498 0.830 21.270 1.00 0.00 H new ATOM 0 HA ILE A 8 27.365 1.166 23.080 1.00 0.00 H new ATOM 0 HB ILE A 8 29.486 3.139 22.176 1.00 0.00 H new ATOM 0 HG12 ILE A 8 29.616 1.174 24.519 1.00 0.00 H new ATOM 0 HG13 ILE A 8 30.297 0.804 22.947 1.00 0.00 H new ATOM 0 HG21 ILE A 8 29.240 4.045 24.487 1.00 0.00 H new ATOM 0 HG22 ILE A 8 27.710 4.144 23.584 1.00 0.00 H new ATOM 0 HG23 ILE A 8 27.944 2.866 24.800 1.00 0.00 H new ATOM 0 HD11 ILE A 8 32.025 1.765 24.446 1.00 0.00 H new ATOM 0 HD12 ILE A 8 31.723 2.850 23.068 1.00 0.00 H new ATOM 0 HD13 ILE A 8 31.032 3.225 24.664 1.00 0.00 H new ATOM 130 N PRO A 9 25.758 2.970 22.166 1.00 0.00 N ATOM 131 CA PRO A 9 24.755 3.849 21.478 1.00 0.00 C ATOM 132 C PRO A 9 25.306 5.220 21.072 1.00 0.00 C ATOM 133 O PRO A 9 24.827 5.820 20.110 1.00 0.00 O ATOM 134 CB PRO A 9 23.609 3.995 22.491 1.00 0.00 C ATOM 135 CG PRO A 9 24.168 3.558 23.801 1.00 0.00 C ATOM 136 CD PRO A 9 25.238 2.522 23.473 1.00 0.00 C ATOM 0 HA PRO A 9 24.443 3.402 20.534 1.00 0.00 H new ATOM 0 HB2 PRO A 9 23.259 5.026 22.540 1.00 0.00 H new ATOM 0 HB3 PRO A 9 22.754 3.381 22.206 1.00 0.00 H new ATOM 0 HG2 PRO A 9 24.594 4.401 24.345 1.00 0.00 H new ATOM 0 HG3 PRO A 9 23.391 3.130 24.434 1.00 0.00 H new ATOM 0 HD2 PRO A 9 26.021 2.499 24.231 1.00 0.00 H new ATOM 0 HD3 PRO A 9 24.820 1.517 23.416 1.00 0.00 H new ATOM 144 N PHE A 10 26.303 5.712 21.801 1.00 0.00 N ATOM 145 CA PHE A 10 26.838 7.045 21.542 1.00 0.00 C ATOM 146 C PHE A 10 27.339 7.171 20.095 1.00 0.00 C ATOM 147 O PHE A 10 27.849 6.196 19.543 1.00 0.00 O ATOM 148 CB PHE A 10 27.958 7.365 22.534 1.00 0.00 C ATOM 149 CG PHE A 10 27.454 7.686 23.923 1.00 0.00 C ATOM 150 CD1 PHE A 10 26.733 8.865 24.148 1.00 0.00 C ATOM 151 CD2 PHE A 10 27.711 6.810 24.985 1.00 0.00 C ATOM 152 CE1 PHE A 10 26.269 9.168 25.434 1.00 0.00 C ATOM 153 CE2 PHE A 10 27.245 7.113 26.270 1.00 0.00 C ATOM 154 CZ PHE A 10 26.524 8.292 26.495 1.00 0.00 C ATOM 0 H PHE A 10 26.753 5.214 22.569 1.00 0.00 H new ATOM 0 HA PHE A 10 26.034 7.768 21.677 1.00 0.00 H new ATOM 0 HB2 PHE A 10 28.638 6.515 22.589 1.00 0.00 H new ATOM 0 HB3 PHE A 10 28.534 8.211 22.160 1.00 0.00 H new ATOM 0 HD1 PHE A 10 26.535 9.541 23.329 1.00 0.00 H new ATOM 0 HD2 PHE A 10 28.268 5.901 24.813 1.00 0.00 H new ATOM 0 HE1 PHE A 10 25.714 10.078 25.607 1.00 0.00 H new ATOM 0 HE2 PHE A 10 27.442 6.437 27.089 1.00 0.00 H new ATOM 0 HZ PHE A 10 26.165 8.525 27.487 1.00 0.00 H new ATOM 164 N PRO A 11 27.215 8.323 19.461 1.00 0.00 N ATOM 165 CA PRO A 11 27.626 8.481 18.022 1.00 0.00 C ATOM 166 C PRO A 11 29.083 8.135 17.638 1.00 0.00 C ATOM 167 O PRO A 11 29.298 7.778 16.472 1.00 0.00 O ATOM 168 CB PRO A 11 27.361 9.958 17.707 1.00 0.00 C ATOM 169 CG PRO A 11 26.414 10.437 18.751 1.00 0.00 C ATOM 170 CD PRO A 11 26.686 9.597 19.993 1.00 0.00 C ATOM 0 HA PRO A 11 27.056 7.753 17.445 1.00 0.00 H new ATOM 0 HB2 PRO A 11 28.287 10.533 17.726 1.00 0.00 H new ATOM 0 HB3 PRO A 11 26.935 10.074 16.711 1.00 0.00 H new ATOM 0 HG2 PRO A 11 26.566 11.496 18.957 1.00 0.00 H new ATOM 0 HG3 PRO A 11 25.381 10.321 18.422 1.00 0.00 H new ATOM 0 HD2 PRO A 11 27.405 10.083 20.652 1.00 0.00 H new ATOM 0 HD3 PRO A 11 25.777 9.439 20.574 1.00 0.00 H new ATOM 178 N PRO A 12 30.092 8.248 18.495 1.00 0.00 N ATOM 179 CA PRO A 12 31.498 7.963 18.055 1.00 0.00 C ATOM 180 C PRO A 12 31.651 6.549 17.498 1.00 0.00 C ATOM 181 O PRO A 12 32.450 6.320 16.586 1.00 0.00 O ATOM 182 CB PRO A 12 32.347 8.153 19.315 1.00 0.00 C ATOM 183 CG PRO A 12 31.531 9.030 20.199 1.00 0.00 C ATOM 184 CD PRO A 12 30.079 8.668 19.907 1.00 0.00 C ATOM 0 HA PRO A 12 31.803 8.624 17.243 1.00 0.00 H new ATOM 0 HB2 PRO A 12 32.561 7.198 19.795 1.00 0.00 H new ATOM 0 HB3 PRO A 12 33.307 8.613 19.079 1.00 0.00 H new ATOM 0 HG2 PRO A 12 31.773 8.863 21.249 1.00 0.00 H new ATOM 0 HG3 PRO A 12 31.722 10.083 19.991 1.00 0.00 H new ATOM 0 HD2 PRO A 12 29.729 7.867 20.558 1.00 0.00 H new ATOM 0 HD3 PRO A 12 29.416 9.519 20.064 1.00 0.00 H new ATOM 192 N THR A 13 30.861 5.607 18.014 1.00 0.00 N ATOM 193 CA THR A 13 30.886 4.252 17.468 1.00 0.00 C ATOM 194 C THR A 13 30.498 4.250 15.988 1.00 0.00 C ATOM 195 O THR A 13 31.048 3.488 15.190 1.00 0.00 O ATOM 196 CB THR A 13 29.930 3.355 18.256 1.00 0.00 C ATOM 197 OG1 THR A 13 28.605 3.850 18.128 1.00 0.00 O ATOM 198 CG2 THR A 13 30.335 3.345 19.732 1.00 0.00 C ATOM 0 H THR A 13 30.213 5.751 18.788 1.00 0.00 H new ATOM 0 HA THR A 13 31.902 3.867 17.557 1.00 0.00 H new ATOM 0 HB THR A 13 29.977 2.339 17.863 1.00 0.00 H new ATOM 0 HG1 THR A 13 28.080 3.586 18.912 1.00 0.00 H new ATOM 0 HG21 THR A 13 29.653 2.705 20.292 1.00 0.00 H new ATOM 0 HG22 THR A 13 31.351 2.963 19.828 1.00 0.00 H new ATOM 0 HG23 THR A 13 30.290 4.359 20.129 1.00 0.00 H new ATOM 206 N SER A 14 29.577 5.137 15.606 1.00 0.00 N ATOM 207 CA SER A 14 29.241 5.297 14.196 1.00 0.00 C ATOM 208 C SER A 14 30.466 5.721 13.391 1.00 0.00 C ATOM 209 O SER A 14 30.670 5.257 12.268 1.00 0.00 O ATOM 210 CB SER A 14 28.140 6.345 14.040 1.00 0.00 C ATOM 211 OG SER A 14 27.035 5.990 14.862 1.00 0.00 O ATOM 0 H SER A 14 29.060 5.744 16.242 1.00 0.00 H new ATOM 0 HA SER A 14 28.890 4.337 13.817 1.00 0.00 H new ATOM 0 HB2 SER A 14 28.516 7.329 14.321 1.00 0.00 H new ATOM 0 HB3 SER A 14 27.827 6.409 12.998 1.00 0.00 H new ATOM 0 HG SER A 14 26.327 6.661 14.766 1.00 0.00 H new ATOM 217 N ILE A 15 31.304 6.579 13.979 1.00 0.00 N ATOM 218 CA ILE A 15 32.532 6.977 13.287 1.00 0.00 C ATOM 219 C ILE A 15 33.401 5.751 12.990 1.00 0.00 C ATOM 220 O ILE A 15 34.055 5.683 11.945 1.00 0.00 O ATOM 221 CB ILE A 15 33.322 7.990 14.126 1.00 0.00 C ATOM 222 CG1 ILE A 15 32.431 9.193 14.452 1.00 0.00 C ATOM 223 CG2 ILE A 15 34.540 8.475 13.333 1.00 0.00 C ATOM 224 CD1 ILE A 15 33.161 10.132 15.414 1.00 0.00 C ATOM 0 H ILE A 15 31.164 6.998 14.898 1.00 0.00 H new ATOM 0 HA ILE A 15 32.254 7.448 12.344 1.00 0.00 H new ATOM 0 HB ILE A 15 33.649 7.511 15.049 1.00 0.00 H new ATOM 0 HG12 ILE A 15 32.173 9.725 13.536 1.00 0.00 H new ATOM 0 HG13 ILE A 15 31.496 8.855 14.899 1.00 0.00 H new ATOM 0 HG21 ILE A 15 35.100 9.194 13.930 1.00 0.00 H new ATOM 0 HG22 ILE A 15 35.180 7.626 13.094 1.00 0.00 H new ATOM 0 HG23 ILE A 15 34.208 8.950 12.410 1.00 0.00 H new ATOM 0 HD11 ILE A 15 32.523 10.986 15.643 1.00 0.00 H new ATOM 0 HD12 ILE A 15 33.397 9.598 16.335 1.00 0.00 H new ATOM 0 HD13 ILE A 15 34.084 10.482 14.951 1.00 0.00 H new ATOM 236 N LEU A 16 33.378 4.760 13.887 1.00 0.00 N ATOM 237 CA LEU A 16 34.080 3.509 13.612 1.00 0.00 C ATOM 238 C LEU A 16 33.530 2.842 12.351 1.00 0.00 C ATOM 239 O LEU A 16 34.279 2.242 11.575 1.00 0.00 O ATOM 240 CB LEU A 16 33.954 2.549 14.797 1.00 0.00 C ATOM 241 CG LEU A 16 34.865 1.342 14.570 1.00 0.00 C ATOM 242 CD1 LEU A 16 36.327 1.767 14.724 1.00 0.00 C ATOM 243 CD2 LEU A 16 34.537 0.257 15.598 1.00 0.00 C ATOM 0 H LEU A 16 32.895 4.798 14.784 1.00 0.00 H new ATOM 0 HA LEU A 16 35.132 3.745 13.455 1.00 0.00 H new ATOM 0 HB2 LEU A 16 34.228 3.057 15.722 1.00 0.00 H new ATOM 0 HB3 LEU A 16 32.920 2.223 14.907 1.00 0.00 H new ATOM 0 HG LEU A 16 34.706 0.951 13.565 1.00 0.00 H new ATOM 0 HD11 LEU A 16 36.975 0.906 14.562 1.00 0.00 H new ATOM 0 HD12 LEU A 16 36.560 2.540 13.992 1.00 0.00 H new ATOM 0 HD13 LEU A 16 36.488 2.159 15.728 1.00 0.00 H new ATOM 0 HD21 LEU A 16 35.186 -0.604 15.438 1.00 0.00 H new ATOM 0 HD22 LEU A 16 34.695 0.648 16.603 1.00 0.00 H new ATOM 0 HD23 LEU A 16 33.496 -0.047 15.487 1.00 0.00 H new ATOM 255 N LEU A 17 32.221 2.972 12.123 1.00 0.00 N ATOM 256 CA LEU A 17 31.640 2.448 10.886 1.00 0.00 C ATOM 257 C LEU A 17 32.269 3.110 9.661 1.00 0.00 C ATOM 258 O LEU A 17 32.457 2.464 8.627 1.00 0.00 O ATOM 259 CB LEU A 17 30.125 2.667 10.861 1.00 0.00 C ATOM 260 CG LEU A 17 29.525 1.907 9.676 1.00 0.00 C ATOM 261 CD1 LEU A 17 29.536 0.407 9.972 1.00 0.00 C ATOM 262 CD2 LEU A 17 28.085 2.374 9.451 1.00 0.00 C ATOM 0 H LEU A 17 31.561 3.421 12.757 1.00 0.00 H new ATOM 0 HA LEU A 17 31.847 1.378 10.855 1.00 0.00 H new ATOM 0 HB2 LEU A 17 29.680 2.320 11.794 1.00 0.00 H new ATOM 0 HB3 LEU A 17 29.901 3.730 10.777 1.00 0.00 H new ATOM 0 HG LEU A 17 30.116 2.102 8.781 1.00 0.00 H new ATOM 0 HD11 LEU A 17 29.108 -0.134 9.128 1.00 0.00 H new ATOM 0 HD12 LEU A 17 30.562 0.075 10.133 1.00 0.00 H new ATOM 0 HD13 LEU A 17 28.946 0.208 10.866 1.00 0.00 H new ATOM 0 HD21 LEU A 17 27.655 1.834 8.607 1.00 0.00 H new ATOM 0 HD22 LEU A 17 27.495 2.178 10.346 1.00 0.00 H new ATOM 0 HD23 LEU A 17 28.078 3.443 9.239 1.00 0.00 H new ATOM 274 N LEU A 18 32.618 4.394 9.782 1.00 0.00 N ATOM 275 CA LEU A 18 33.268 5.084 8.669 1.00 0.00 C ATOM 276 C LEU A 18 34.590 4.415 8.305 1.00 0.00 C ATOM 277 O LEU A 18 34.938 4.309 7.126 1.00 0.00 O ATOM 278 CB LEU A 18 33.530 6.552 9.024 1.00 0.00 C ATOM 279 CG LEU A 18 32.222 7.243 9.420 1.00 0.00 C ATOM 280 CD1 LEU A 18 32.523 8.682 9.848 1.00 0.00 C ATOM 281 CD2 LEU A 18 31.266 7.266 8.225 1.00 0.00 C ATOM 0 H LEU A 18 32.466 4.962 10.615 1.00 0.00 H new ATOM 0 HA LEU A 18 32.595 5.030 7.813 1.00 0.00 H new ATOM 0 HB2 LEU A 18 34.245 6.613 9.845 1.00 0.00 H new ATOM 0 HB3 LEU A 18 33.977 7.065 8.173 1.00 0.00 H new ATOM 0 HG LEU A 18 31.760 6.697 10.243 1.00 0.00 H new ATOM 0 HD11 LEU A 18 31.595 9.179 10.131 1.00 0.00 H new ATOM 0 HD12 LEU A 18 33.204 8.674 10.699 1.00 0.00 H new ATOM 0 HD13 LEU A 18 32.984 9.219 9.019 1.00 0.00 H new ATOM 0 HD21 LEU A 18 30.337 7.759 8.512 1.00 0.00 H new ATOM 0 HD22 LEU A 18 31.726 7.811 7.401 1.00 0.00 H new ATOM 0 HD23 LEU A 18 31.053 6.245 7.910 1.00 0.00 H new ATOM 293 N LEU A 19 35.310 3.925 9.316 1.00 0.00 N ATOM 294 CA LEU A 19 36.514 3.138 9.044 1.00 0.00 C ATOM 295 C LEU A 19 36.187 1.880 8.240 1.00 0.00 C ATOM 296 O LEU A 19 36.977 1.445 7.403 1.00 0.00 O ATOM 297 CB LEU A 19 37.230 2.753 10.340 1.00 0.00 C ATOM 298 CG LEU A 19 38.047 3.940 10.853 1.00 0.00 C ATOM 299 CD1 LEU A 19 37.106 5.010 11.411 1.00 0.00 C ATOM 300 CD2 LEU A 19 38.989 3.460 11.960 1.00 0.00 C ATOM 0 H LEU A 19 35.089 4.054 10.304 1.00 0.00 H new ATOM 0 HA LEU A 19 37.179 3.766 8.451 1.00 0.00 H new ATOM 0 HB2 LEU A 19 36.502 2.449 11.092 1.00 0.00 H new ATOM 0 HB3 LEU A 19 37.884 1.898 10.165 1.00 0.00 H new ATOM 0 HG LEU A 19 38.628 4.365 10.034 1.00 0.00 H new ATOM 0 HD11 LEU A 19 37.691 5.854 11.776 1.00 0.00 H new ATOM 0 HD12 LEU A 19 36.432 5.348 10.624 1.00 0.00 H new ATOM 0 HD13 LEU A 19 36.524 4.590 12.231 1.00 0.00 H new ATOM 0 HD21 LEU A 19 39.574 4.302 12.330 1.00 0.00 H new ATOM 0 HD22 LEU A 19 38.405 3.037 12.777 1.00 0.00 H new ATOM 0 HD23 LEU A 19 39.660 2.699 11.562 1.00 0.00 H new ATOM 312 N ALA A 20 34.998 1.317 8.466 1.00 0.00 N ATOM 313 CA ALA A 20 34.571 0.150 7.700 1.00 0.00 C ATOM 314 C ALA A 20 34.489 0.479 6.213 1.00 0.00 C ATOM 315 O ALA A 20 34.902 -0.312 5.359 1.00 0.00 O ATOM 316 CB ALA A 20 33.202 -0.321 8.195 1.00 0.00 C ATOM 0 H ALA A 20 34.326 1.644 9.160 1.00 0.00 H new ATOM 0 HA ALA A 20 35.306 -0.642 7.842 1.00 0.00 H new ATOM 0 HB1 ALA A 20 32.887 -1.192 7.620 1.00 0.00 H new ATOM 0 HB2 ALA A 20 33.268 -0.587 9.250 1.00 0.00 H new ATOM 0 HB3 ALA A 20 32.474 0.480 8.068 1.00 0.00 H new ATOM 322 N CYS A 21 33.998 1.677 5.907 1.00 0.00 N ATOM 323 CA CYS A 21 33.953 2.118 4.515 1.00 0.00 C ATOM 324 C CYS A 21 35.359 2.160 3.922 1.00 0.00 C ATOM 325 O CYS A 21 35.581 1.763 2.774 1.00 0.00 O ATOM 326 CB CYS A 21 33.320 3.508 4.434 1.00 0.00 C ATOM 327 SG CYS A 21 31.600 3.421 4.989 1.00 0.00 S ATOM 0 H CYS A 21 33.634 2.346 6.585 1.00 0.00 H new ATOM 0 HA CYS A 21 33.352 1.410 3.944 1.00 0.00 H new ATOM 0 HB2 CYS A 21 33.878 4.210 5.053 1.00 0.00 H new ATOM 0 HB3 CYS A 21 33.365 3.881 3.411 1.00 0.00 H new ATOM 0 HG CYS A 21 31.062 4.603 4.922 1.00 0.00 H new ATOM 333 N ILE A 22 36.322 2.613 4.724 1.00 0.00 N ATOM 334 CA ILE A 22 37.708 2.630 4.274 1.00 0.00 C ATOM 335 C ILE A 22 38.189 1.219 3.929 1.00 0.00 C ATOM 336 O ILE A 22 38.984 1.041 3.003 1.00 0.00 O ATOM 337 CB ILE A 22 38.607 3.241 5.357 1.00 0.00 C ATOM 338 CG1 ILE A 22 38.095 4.629 5.779 1.00 0.00 C ATOM 339 CG2 ILE A 22 40.037 3.375 4.828 1.00 0.00 C ATOM 340 CD1 ILE A 22 38.020 5.587 4.581 1.00 0.00 C ATOM 0 H ILE A 22 36.171 2.966 5.669 1.00 0.00 H new ATOM 0 HA ILE A 22 37.766 3.241 3.373 1.00 0.00 H new ATOM 0 HB ILE A 22 38.590 2.581 6.224 1.00 0.00 H new ATOM 0 HG12 ILE A 22 37.108 4.532 6.232 1.00 0.00 H new ATOM 0 HG13 ILE A 22 38.755 5.046 6.540 1.00 0.00 H new ATOM 0 HG21 ILE A 22 40.672 3.809 5.601 1.00 0.00 H new ATOM 0 HG22 ILE A 22 40.418 2.391 4.556 1.00 0.00 H new ATOM 0 HG23 ILE A 22 40.041 4.021 3.950 1.00 0.00 H new ATOM 0 HD11 ILE A 22 37.655 6.558 4.914 1.00 0.00 H new ATOM 0 HD12 ILE A 22 39.012 5.703 4.145 1.00 0.00 H new ATOM 0 HD13 ILE A 22 37.340 5.181 3.832 1.00 0.00 H new ATOM 352 N PHE A 23 37.692 0.210 4.649 1.00 0.00 N ATOM 353 CA PHE A 23 38.047 -1.170 4.313 1.00 0.00 C ATOM 354 C PHE A 23 37.629 -1.511 2.883 1.00 0.00 C ATOM 355 O PHE A 23 38.337 -2.239 2.179 1.00 0.00 O ATOM 356 CB PHE A 23 37.385 -2.147 5.286 1.00 0.00 C ATOM 357 CG PHE A 23 37.854 -3.574 5.118 1.00 0.00 C ATOM 358 CD1 PHE A 23 37.185 -4.433 4.236 1.00 0.00 C ATOM 359 CD2 PHE A 23 38.959 -4.037 5.843 1.00 0.00 C ATOM 360 CE1 PHE A 23 37.622 -5.754 4.082 1.00 0.00 C ATOM 361 CE2 PHE A 23 39.395 -5.359 5.687 1.00 0.00 C ATOM 362 CZ PHE A 23 38.726 -6.217 4.807 1.00 0.00 C ATOM 0 H PHE A 23 37.062 0.316 5.444 1.00 0.00 H new ATOM 0 HA PHE A 23 39.130 -1.262 4.393 1.00 0.00 H new ATOM 0 HB2 PHE A 23 37.587 -1.824 6.307 1.00 0.00 H new ATOM 0 HB3 PHE A 23 36.304 -2.109 5.148 1.00 0.00 H new ATOM 0 HD1 PHE A 23 36.333 -4.076 3.676 1.00 0.00 H new ATOM 0 HD2 PHE A 23 39.475 -3.375 6.522 1.00 0.00 H new ATOM 0 HE1 PHE A 23 37.106 -6.417 3.403 1.00 0.00 H new ATOM 0 HE2 PHE A 23 40.247 -5.716 6.246 1.00 0.00 H new ATOM 0 HZ PHE A 23 39.062 -7.237 4.687 1.00 0.00 H new ATOM 372 N LEU A 24 36.498 -0.957 2.437 1.00 0.00 N ATOM 373 CA LEU A 24 36.099 -1.132 1.042 1.00 0.00 C ATOM 374 C LEU A 24 37.157 -0.572 0.094 1.00 0.00 C ATOM 375 O LEU A 24 37.432 -1.157 -0.958 1.00 0.00 O ATOM 376 CB LEU A 24 34.766 -0.425 0.788 1.00 0.00 C ATOM 377 CG LEU A 24 34.269 -0.747 -0.624 1.00 0.00 C ATOM 378 CD1 LEU A 24 33.809 -2.204 -0.684 1.00 0.00 C ATOM 379 CD2 LEU A 24 33.096 0.174 -0.971 1.00 0.00 C ATOM 0 H LEU A 24 35.860 -0.399 3.004 1.00 0.00 H new ATOM 0 HA LEU A 24 35.992 -2.200 0.853 1.00 0.00 H new ATOM 0 HB2 LEU A 24 34.029 -0.744 1.525 1.00 0.00 H new ATOM 0 HB3 LEU A 24 34.887 0.652 0.904 1.00 0.00 H new ATOM 0 HG LEU A 24 35.077 -0.593 -1.339 1.00 0.00 H new ATOM 0 HD11 LEU A 24 33.455 -2.433 -1.689 1.00 0.00 H new ATOM 0 HD12 LEU A 24 34.643 -2.860 -0.435 1.00 0.00 H new ATOM 0 HD13 LEU A 24 33.000 -2.360 0.030 1.00 0.00 H new ATOM 0 HD21 LEU A 24 32.740 -0.053 -1.976 1.00 0.00 H new ATOM 0 HD22 LEU A 24 32.288 0.019 -0.256 1.00 0.00 H new ATOM 0 HD23 LEU A 24 33.424 1.213 -0.928 1.00 0.00 H new ATOM 391 N ILE A 25 37.785 0.540 0.483 1.00 0.00 N ATOM 392 CA ILE A 25 38.906 1.061 -0.303 1.00 0.00 C ATOM 393 C ILE A 25 40.045 0.040 -0.383 1.00 0.00 C ATOM 394 O ILE A 25 40.750 -0.035 -1.390 1.00 0.00 O ATOM 395 CB ILE A 25 39.425 2.385 0.273 1.00 0.00 C ATOM 396 CG1 ILE A 25 38.270 3.385 0.391 1.00 0.00 C ATOM 397 CG2 ILE A 25 40.486 2.967 -0.665 1.00 0.00 C ATOM 398 CD1 ILE A 25 38.754 4.642 1.117 1.00 0.00 C ATOM 0 H ILE A 25 37.546 1.084 1.312 1.00 0.00 H new ATOM 0 HA ILE A 25 38.535 1.248 -1.311 1.00 0.00 H new ATOM 0 HB ILE A 25 39.856 2.202 1.257 1.00 0.00 H new ATOM 0 HG12 ILE A 25 37.898 3.645 -0.600 1.00 0.00 H new ATOM 0 HG13 ILE A 25 37.440 2.935 0.935 1.00 0.00 H new ATOM 0 HG21 ILE A 25 40.856 3.908 -0.257 1.00 0.00 H new ATOM 0 HG22 ILE A 25 41.313 2.263 -0.760 1.00 0.00 H new ATOM 0 HG23 ILE A 25 40.046 3.145 -1.646 1.00 0.00 H new ATOM 0 HD11 ILE A 25 37.932 5.353 1.201 1.00 0.00 H new ATOM 0 HD12 ILE A 25 39.105 4.374 2.114 1.00 0.00 H new ATOM 0 HD13 ILE A 25 39.570 5.095 0.555 1.00 0.00 H new ATOM 410 N ALA A 26 40.210 -0.771 0.666 1.00 0.00 N ATOM 411 CA ALA A 26 41.225 -1.818 0.635 1.00 0.00 C ATOM 412 C ALA A 26 40.961 -2.785 -0.515 1.00 0.00 C ATOM 413 O ALA A 26 41.881 -3.188 -1.231 1.00 0.00 O ATOM 414 CB ALA A 26 41.220 -2.585 1.959 1.00 0.00 C ATOM 0 H ALA A 26 39.666 -0.723 1.527 1.00 0.00 H new ATOM 0 HA ALA A 26 42.199 -1.352 0.487 1.00 0.00 H new ATOM 0 HB1 ALA A 26 41.980 -3.366 1.930 1.00 0.00 H new ATOM 0 HB2 ALA A 26 41.436 -1.899 2.778 1.00 0.00 H new ATOM 0 HB3 ALA A 26 40.241 -3.038 2.114 1.00 0.00 H new ATOM 420 N ILE A 27 39.688 -3.130 -0.715 1.00 0.00 N ATOM 421 CA ILE A 27 39.332 -3.992 -1.839 1.00 0.00 C ATOM 422 C ILE A 27 39.731 -3.344 -3.169 1.00 0.00 C ATOM 423 O ILE A 27 40.148 -4.035 -4.102 1.00 0.00 O ATOM 424 CB ILE A 27 37.825 -4.289 -1.810 1.00 0.00 C ATOM 425 CG1 ILE A 27 37.474 -4.967 -0.480 1.00 0.00 C ATOM 426 CG2 ILE A 27 37.449 -5.230 -2.960 1.00 0.00 C ATOM 427 CD1 ILE A 27 35.953 -5.092 -0.311 1.00 0.00 C ATOM 0 H ILE A 27 38.906 -2.835 -0.130 1.00 0.00 H new ATOM 0 HA ILE A 27 39.878 -4.931 -1.748 1.00 0.00 H new ATOM 0 HB ILE A 27 37.276 -3.354 -1.916 1.00 0.00 H new ATOM 0 HG12 ILE A 27 37.930 -5.956 -0.440 1.00 0.00 H new ATOM 0 HG13 ILE A 27 37.889 -4.391 0.347 1.00 0.00 H new ATOM 0 HG21 ILE A 27 36.379 -5.433 -2.929 1.00 0.00 H new ATOM 0 HG22 ILE A 27 37.702 -4.761 -3.911 1.00 0.00 H new ATOM 0 HG23 ILE A 27 37.999 -6.166 -2.859 1.00 0.00 H new ATOM 0 HD11 ILE A 27 35.731 -5.576 0.640 1.00 0.00 H new ATOM 0 HD12 ILE A 27 35.502 -4.100 -0.327 1.00 0.00 H new ATOM 0 HD13 ILE A 27 35.544 -5.689 -1.126 1.00 0.00 H new ATOM 439 N LEU A 28 39.641 -2.013 -3.246 1.00 0.00 N ATOM 440 CA LEU A 28 40.137 -1.313 -4.433 1.00 0.00 C ATOM 441 C LEU A 28 41.632 -1.567 -4.637 1.00 0.00 C ATOM 442 O LEU A 28 42.110 -1.658 -5.768 1.00 0.00 O ATOM 443 CB LEU A 28 39.882 0.193 -4.328 1.00 0.00 C ATOM 444 CG LEU A 28 40.185 0.853 -5.675 1.00 0.00 C ATOM 445 CD1 LEU A 28 39.046 0.564 -6.655 1.00 0.00 C ATOM 446 CD2 LEU A 28 40.323 2.364 -5.481 1.00 0.00 C ATOM 0 H LEU A 28 39.242 -1.414 -2.524 1.00 0.00 H new ATOM 0 HA LEU A 28 39.593 -1.705 -5.293 1.00 0.00 H new ATOM 0 HB2 LEU A 28 38.846 0.379 -4.044 1.00 0.00 H new ATOM 0 HB3 LEU A 28 40.509 0.626 -3.549 1.00 0.00 H new ATOM 0 HG LEU A 28 41.116 0.451 -6.075 1.00 0.00 H new ATOM 0 HD11 LEU A 28 39.263 1.035 -7.614 1.00 0.00 H new ATOM 0 HD12 LEU A 28 38.949 -0.513 -6.793 1.00 0.00 H new ATOM 0 HD13 LEU A 28 38.113 0.964 -6.257 1.00 0.00 H new ATOM 0 HD21 LEU A 28 40.539 2.836 -6.440 1.00 0.00 H new ATOM 0 HD22 LEU A 28 39.392 2.766 -5.080 1.00 0.00 H new ATOM 0 HD23 LEU A 28 41.136 2.569 -4.785 1.00 0.00 H new ATOM 458 N ALA A 29 42.367 -1.725 -3.535 1.00 0.00 N ATOM 459 CA ALA A 29 43.781 -2.079 -3.625 1.00 0.00 C ATOM 460 C ALA A 29 43.958 -3.421 -4.333 1.00 0.00 C ATOM 461 O ALA A 29 44.889 -3.605 -5.120 1.00 0.00 O ATOM 462 CB ALA A 29 44.383 -2.159 -2.221 1.00 0.00 C ATOM 0 H ALA A 29 42.012 -1.615 -2.585 1.00 0.00 H new ATOM 0 HA ALA A 29 44.294 -1.309 -4.202 1.00 0.00 H new ATOM 0 HB1 ALA A 29 45.438 -2.423 -2.292 1.00 0.00 H new ATOM 0 HB2 ALA A 29 44.284 -1.193 -1.727 1.00 0.00 H new ATOM 0 HB3 ALA A 29 43.857 -2.918 -1.642 1.00 0.00 H new ATOM 468 N ALA A 30 43.036 -4.348 -4.079 1.00 0.00 N ATOM 469 CA ALA A 30 43.071 -5.635 -4.768 1.00 0.00 C ATOM 470 C ALA A 30 42.949 -5.442 -6.277 1.00 0.00 C ATOM 471 O ALA A 30 43.619 -6.121 -7.059 1.00 0.00 O ATOM 472 CB ALA A 30 41.927 -6.520 -4.270 1.00 0.00 C ATOM 0 H ALA A 30 42.270 -4.236 -3.415 1.00 0.00 H new ATOM 0 HA ALA A 30 44.025 -6.116 -4.554 1.00 0.00 H new ATOM 0 HB1 ALA A 30 41.957 -7.479 -4.787 1.00 0.00 H new ATOM 0 HB2 ALA A 30 42.033 -6.682 -3.197 1.00 0.00 H new ATOM 0 HB3 ALA A 30 40.974 -6.030 -4.470 1.00 0.00 H new ATOM 478 N SER A 31 42.116 -4.485 -6.689 1.00 0.00 N ATOM 479 CA SER A 31 42.015 -4.154 -8.108 1.00 0.00 C ATOM 480 C SER A 31 43.367 -3.704 -8.662 1.00 0.00 C ATOM 481 O SER A 31 43.726 -4.034 -9.795 1.00 0.00 O ATOM 482 CB SER A 31 40.981 -3.048 -8.319 1.00 0.00 C ATOM 483 OG SER A 31 39.763 -3.422 -7.691 1.00 0.00 O ATOM 0 H SER A 31 41.514 -3.937 -6.074 1.00 0.00 H new ATOM 0 HA SER A 31 41.701 -5.051 -8.642 1.00 0.00 H new ATOM 0 HB2 SER A 31 41.345 -2.109 -7.903 1.00 0.00 H new ATOM 0 HB3 SER A 31 40.819 -2.883 -9.384 1.00 0.00 H new ATOM 0 HG SER A 31 39.097 -2.715 -7.822 1.00 0.00 H new ATOM 489 N ALA A 32 44.143 -2.988 -7.847 1.00 0.00 N ATOM 490 CA ALA A 32 45.484 -2.592 -8.264 1.00 0.00 C ATOM 491 C ALA A 32 46.341 -3.820 -8.559 1.00 0.00 C ATOM 492 O ALA A 32 47.146 -3.821 -9.495 1.00 0.00 O ATOM 493 CB ALA A 32 46.145 -1.759 -7.165 1.00 0.00 C ATOM 0 H ALA A 32 43.872 -2.677 -6.914 1.00 0.00 H new ATOM 0 HA ALA A 32 45.400 -1.997 -9.173 1.00 0.00 H new ATOM 0 HB1 ALA A 32 47.146 -1.466 -7.482 1.00 0.00 H new ATOM 0 HB2 ALA A 32 45.549 -0.866 -6.977 1.00 0.00 H new ATOM 0 HB3 ALA A 32 46.212 -2.350 -6.251 1.00 0.00 H new ATOM 499 N LEU A 33 46.166 -4.873 -7.759 1.00 0.00 N ATOM 500 CA LEU A 33 46.880 -6.119 -8.020 1.00 0.00 C ATOM 501 C LEU A 33 46.530 -6.671 -9.400 1.00 0.00 C ATOM 502 O LEU A 33 47.384 -7.241 -10.083 1.00 0.00 O ATOM 503 CB LEU A 33 46.539 -7.157 -6.949 1.00 0.00 C ATOM 504 CG LEU A 33 47.430 -8.387 -7.129 1.00 0.00 C ATOM 505 CD1 LEU A 33 48.867 -8.041 -6.734 1.00 0.00 C ATOM 506 CD2 LEU A 33 46.917 -9.522 -6.240 1.00 0.00 C ATOM 0 H LEU A 33 45.552 -4.888 -6.945 1.00 0.00 H new ATOM 0 HA LEU A 33 47.949 -5.907 -7.992 1.00 0.00 H new ATOM 0 HB2 LEU A 33 46.684 -6.732 -5.956 1.00 0.00 H new ATOM 0 HB3 LEU A 33 45.489 -7.441 -7.024 1.00 0.00 H new ATOM 0 HG LEU A 33 47.407 -8.702 -8.172 1.00 0.00 H new ATOM 0 HD11 LEU A 33 49.501 -8.918 -6.863 1.00 0.00 H new ATOM 0 HD12 LEU A 33 49.234 -7.232 -7.366 1.00 0.00 H new ATOM 0 HD13 LEU A 33 48.892 -7.725 -5.691 1.00 0.00 H new ATOM 0 HD21 LEU A 33 47.551 -10.399 -6.368 1.00 0.00 H new ATOM 0 HD22 LEU A 33 46.940 -9.206 -5.197 1.00 0.00 H new ATOM 0 HD23 LEU A 33 45.894 -9.770 -6.521 1.00 0.00 H new ATOM 518 N TRP A 34 45.279 -6.483 -9.829 1.00 0.00 N ATOM 519 CA TRP A 34 44.910 -6.843 -11.200 1.00 0.00 C ATOM 520 C TRP A 34 45.753 -6.071 -12.220 1.00 0.00 C ATOM 521 O TRP A 34 46.093 -6.590 -13.285 1.00 0.00 O ATOM 522 CB TRP A 34 43.428 -6.555 -11.448 1.00 0.00 C ATOM 523 CG TRP A 34 42.900 -7.199 -12.690 1.00 0.00 C ATOM 524 CD1 TRP A 34 43.110 -8.487 -13.048 1.00 0.00 C ATOM 525 CD2 TRP A 34 42.081 -6.611 -13.743 1.00 0.00 C ATOM 526 NE1 TRP A 34 42.473 -8.728 -14.251 1.00 0.00 N ATOM 527 CE2 TRP A 34 41.824 -7.603 -14.720 1.00 0.00 C ATOM 528 CE3 TRP A 34 41.541 -5.328 -13.943 1.00 0.00 C ATOM 529 CZ2 TRP A 34 41.058 -7.329 -15.857 1.00 0.00 C ATOM 530 CZ3 TRP A 34 40.770 -5.051 -15.083 1.00 0.00 C ATOM 531 CH2 TRP A 34 40.530 -6.048 -16.038 1.00 0.00 C ATOM 0 H TRP A 34 44.523 -6.095 -9.265 1.00 0.00 H new ATOM 0 HA TRP A 34 45.099 -7.909 -11.323 1.00 0.00 H new ATOM 0 HB2 TRP A 34 42.849 -6.903 -10.592 1.00 0.00 H new ATOM 0 HB3 TRP A 34 43.281 -5.477 -11.515 1.00 0.00 H new ATOM 0 HD1 TRP A 34 43.682 -9.209 -12.485 1.00 0.00 H new ATOM 0 HE1 TRP A 34 42.481 -9.627 -14.733 1.00 0.00 H new ATOM 0 HE3 TRP A 34 41.721 -4.551 -13.215 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 40.876 -8.101 -16.590 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 40.359 -4.062 -15.225 1.00 0.00 H new ATOM 0 HH2 TRP A 34 39.937 -5.826 -16.913 1.00 0.00 H new ATOM 542 N ALA A 35 46.136 -4.845 -11.866 1.00 0.00 N ATOM 543 CA ALA A 35 47.022 -4.063 -12.722 1.00 0.00 C ATOM 544 C ALA A 35 48.363 -4.766 -12.900 1.00 0.00 C ATOM 545 O ALA A 35 48.948 -4.745 -13.983 1.00 0.00 O ATOM 546 CB ALA A 35 47.250 -2.680 -12.109 1.00 0.00 C ATOM 0 H ALA A 35 45.851 -4.378 -11.005 1.00 0.00 H new ATOM 0 HA ALA A 35 46.549 -3.959 -13.699 1.00 0.00 H new ATOM 0 HB1 ALA A 35 47.912 -2.101 -12.753 1.00 0.00 H new ATOM 0 HB2 ALA A 35 46.295 -2.163 -12.012 1.00 0.00 H new ATOM 0 HB3 ALA A 35 47.705 -2.789 -11.125 1.00 0.00 H new ATOM 552 N ALA A 36 48.852 -5.380 -11.826 1.00 0.00 N ATOM 553 CA ALA A 36 50.066 -6.185 -11.917 1.00 0.00 C ATOM 554 C ALA A 36 49.882 -7.366 -12.873 1.00 0.00 C ATOM 555 O ALA A 36 50.822 -7.765 -13.560 1.00 0.00 O ATOM 556 CB ALA A 36 50.469 -6.680 -10.521 1.00 0.00 C ATOM 0 H ALA A 36 48.434 -5.337 -10.897 1.00 0.00 H new ATOM 0 HA ALA A 36 50.863 -5.558 -12.318 1.00 0.00 H new ATOM 0 HB1 ALA A 36 51.376 -7.280 -10.596 1.00 0.00 H new ATOM 0 HB2 ALA A 36 50.652 -5.825 -9.871 1.00 0.00 H new ATOM 0 HB3 ALA A 36 49.665 -7.287 -10.104 1.00 0.00 H new ATOM 562 N ALA A 37 48.676 -7.932 -12.903 1.00 0.00 N ATOM 563 CA ALA A 37 48.379 -9.025 -13.829 1.00 0.00 C ATOM 564 C ALA A 37 48.553 -8.606 -15.288 1.00 0.00 C ATOM 565 O ALA A 37 48.949 -9.414 -16.128 1.00 0.00 O ATOM 566 CB ALA A 37 46.942 -9.506 -13.617 1.00 0.00 C ATOM 0 H ALA A 37 47.897 -7.656 -12.305 1.00 0.00 H new ATOM 0 HA ALA A 37 49.086 -9.828 -13.621 1.00 0.00 H new ATOM 0 HB1 ALA A 37 46.725 -10.320 -14.309 1.00 0.00 H new ATOM 0 HB2 ALA A 37 46.824 -9.859 -12.593 1.00 0.00 H new ATOM 0 HB3 ALA A 37 46.252 -8.682 -13.799 1.00 0.00 H new ATOM 572 N TRP A 38 48.260 -7.345 -15.584 1.00 0.00 N ATOM 573 CA TRP A 38 48.439 -6.824 -16.940 1.00 0.00 C ATOM 574 C TRP A 38 49.877 -6.974 -17.444 1.00 0.00 C ATOM 575 O TRP A 38 50.108 -6.992 -18.652 1.00 0.00 O ATOM 576 CB TRP A 38 48.045 -5.346 -16.998 1.00 0.00 C ATOM 577 CG TRP A 38 46.591 -5.072 -16.750 1.00 0.00 C ATOM 578 CD1 TRP A 38 45.580 -5.969 -16.860 1.00 0.00 C ATOM 579 CD2 TRP A 38 45.972 -3.812 -16.356 1.00 0.00 C ATOM 580 NE1 TRP A 38 44.386 -5.340 -16.557 1.00 0.00 N ATOM 581 CE2 TRP A 38 44.575 -4.010 -16.240 1.00 0.00 C ATOM 582 CE3 TRP A 38 46.484 -2.531 -16.090 1.00 0.00 C ATOM 583 CZ2 TRP A 38 43.717 -2.969 -15.873 1.00 0.00 C ATOM 584 CZ3 TRP A 38 45.627 -1.484 -15.721 1.00 0.00 C ATOM 585 CH2 TRP A 38 44.247 -1.701 -15.613 1.00 0.00 C ATOM 0 H TRP A 38 47.900 -6.667 -14.912 1.00 0.00 H new ATOM 0 HA TRP A 38 47.792 -7.416 -17.587 1.00 0.00 H new ATOM 0 HB2 TRP A 38 48.634 -4.798 -16.262 1.00 0.00 H new ATOM 0 HB3 TRP A 38 48.313 -4.951 -17.978 1.00 0.00 H new ATOM 0 HD1 TRP A 38 45.689 -7.007 -17.139 1.00 0.00 H new ATOM 0 HE1 TRP A 38 43.477 -5.802 -16.567 1.00 0.00 H new ATOM 0 HE3 TRP A 38 47.546 -2.351 -16.170 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 42.654 -3.142 -15.791 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 46.033 -0.504 -15.519 1.00 0.00 H new ATOM 0 HH2 TRP A 38 43.593 -0.890 -15.329 1.00 0.00 H new ATOM 596 N HIS A 39 50.842 -7.053 -16.530 1.00 0.00 N ATOM 597 CA HIS A 39 52.248 -7.116 -16.918 1.00 0.00 C ATOM 598 C HIS A 39 52.543 -8.290 -17.855 1.00 0.00 C ATOM 599 O HIS A 39 53.490 -8.227 -18.641 1.00 0.00 O ATOM 600 CB HIS A 39 53.119 -7.239 -15.668 1.00 0.00 C ATOM 601 CG HIS A 39 53.062 -6.030 -14.774 1.00 0.00 C ATOM 602 ND1 HIS A 39 53.516 -6.056 -13.465 1.00 0.00 N ATOM 603 CD2 HIS A 39 52.607 -4.752 -14.987 1.00 0.00 C ATOM 604 CE1 HIS A 39 53.327 -4.831 -12.945 1.00 0.00 C ATOM 605 NE2 HIS A 39 52.775 -3.996 -13.829 1.00 0.00 N ATOM 0 H HIS A 39 50.678 -7.075 -15.524 1.00 0.00 H new ATOM 0 HA HIS A 39 52.477 -6.197 -17.457 1.00 0.00 H new ATOM 0 HB2 HIS A 39 52.805 -8.115 -15.101 1.00 0.00 H new ATOM 0 HB3 HIS A 39 54.152 -7.409 -15.970 1.00 0.00 H new ATOM 0 HD2 HIS A 39 52.183 -4.388 -15.912 1.00 0.00 H new ATOM 0 HE1 HIS A 39 53.590 -4.555 -11.934 1.00 0.00 H new ATOM 0 HE2 HIS A 39 52.529 -3.016 -13.687 1.00 0.00 H new ATOM 613 N GLY A 40 51.749 -9.357 -17.775 1.00 0.00 N ATOM 614 CA GLY A 40 51.976 -10.526 -18.622 1.00 0.00 C ATOM 615 C GLY A 40 51.943 -10.173 -20.110 1.00 0.00 C ATOM 616 O GLY A 40 52.643 -10.786 -20.916 1.00 0.00 O ATOM 0 H GLY A 40 50.954 -9.436 -17.141 1.00 0.00 H new ATOM 0 HA2 GLY A 40 52.941 -10.969 -18.376 1.00 0.00 H new ATOM 0 HA3 GLY A 40 51.216 -11.279 -18.411 1.00 0.00 H new ATOM 620 N GLN A 41 51.131 -9.182 -20.469 1.00 0.00 N ATOM 621 CA GLN A 41 51.038 -8.730 -21.852 1.00 0.00 C ATOM 622 C GLN A 41 52.399 -8.285 -22.378 1.00 0.00 C ATOM 623 O GLN A 41 53.212 -7.734 -21.636 1.00 0.00 O ATOM 624 CB GLN A 41 50.052 -7.565 -21.950 1.00 0.00 C ATOM 625 CG GLN A 41 48.652 -8.043 -21.559 1.00 0.00 C ATOM 626 CD GLN A 41 47.668 -6.875 -21.561 1.00 0.00 C ATOM 627 OE1 GLN A 41 48.071 -5.712 -21.511 1.00 0.00 O ATOM 628 NE2 GLN A 41 46.387 -7.119 -21.619 1.00 0.00 N ATOM 0 H GLN A 41 50.528 -8.677 -19.820 1.00 0.00 H new ATOM 0 HA GLN A 41 50.688 -9.565 -22.458 1.00 0.00 H new ATOM 0 HB2 GLN A 41 50.366 -6.753 -21.294 1.00 0.00 H new ATOM 0 HB3 GLN A 41 50.042 -7.169 -22.965 1.00 0.00 H new ATOM 0 HG2 GLN A 41 48.316 -8.811 -22.256 1.00 0.00 H new ATOM 0 HG3 GLN A 41 48.681 -8.501 -20.570 1.00 0.00 H new ATOM 0 HE21 GLN A 41 46.053 -8.082 -21.660 1.00 0.00 H new ATOM 0 HE22 GLN A 41 45.720 -6.347 -21.623 1.00 0.00 H new ATOM 637 N LYS A 42 52.640 -8.526 -23.663 1.00 0.00 N ATOM 638 CA LYS A 42 53.855 -8.046 -24.317 1.00 0.00 C ATOM 639 C LYS A 42 53.960 -6.524 -24.166 1.00 0.00 C ATOM 640 O LYS A 42 52.928 -5.849 -24.183 1.00 0.00 O ATOM 641 CB LYS A 42 53.801 -8.414 -25.803 1.00 0.00 C ATOM 642 CG LYS A 42 55.210 -8.420 -26.397 1.00 0.00 C ATOM 643 CD LYS A 42 55.204 -9.177 -27.726 1.00 0.00 C ATOM 644 CE LYS A 42 56.592 -9.097 -28.365 1.00 0.00 C ATOM 645 NZ LYS A 42 57.576 -9.809 -27.502 1.00 0.00 N ATOM 0 H LYS A 42 52.012 -9.050 -24.272 1.00 0.00 H new ATOM 0 HA LYS A 42 54.727 -8.509 -23.854 1.00 0.00 H new ATOM 0 HB2 LYS A 42 53.343 -9.395 -25.926 1.00 0.00 H new ATOM 0 HB3 LYS A 42 53.175 -7.701 -26.339 1.00 0.00 H new ATOM 0 HG2 LYS A 42 55.555 -7.398 -26.551 1.00 0.00 H new ATOM 0 HG3 LYS A 42 55.906 -8.890 -25.702 1.00 0.00 H new ATOM 0 HD2 LYS A 42 54.927 -10.218 -27.562 1.00 0.00 H new ATOM 0 HD3 LYS A 42 54.458 -8.750 -28.396 1.00 0.00 H new ATOM 0 HE2 LYS A 42 56.573 -9.544 -29.359 1.00 0.00 H new ATOM 0 HE3 LYS A 42 56.888 -8.055 -28.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 58.437 -10.009 -28.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 57.816 -9.213 -26.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 57.163 -10.703 -27.169 1.00 0.00 H new ATOM 659 N PRO A 43 55.143 -5.961 -24.021 1.00 0.00 N ATOM 660 CA PRO A 43 55.282 -4.478 -23.862 1.00 0.00 C ATOM 661 C PRO A 43 54.627 -3.719 -25.011 1.00 0.00 C ATOM 662 O PRO A 43 54.633 -4.175 -26.154 1.00 0.00 O ATOM 663 CB PRO A 43 56.794 -4.235 -23.838 1.00 0.00 C ATOM 664 CG PRO A 43 57.391 -5.535 -23.421 1.00 0.00 C ATOM 665 CD PRO A 43 56.465 -6.616 -23.971 1.00 0.00 C ATOM 0 HA PRO A 43 54.785 -4.121 -22.960 1.00 0.00 H new ATOM 0 HB2 PRO A 43 57.160 -3.930 -24.819 1.00 0.00 H new ATOM 0 HB3 PRO A 43 57.054 -3.440 -23.139 1.00 0.00 H new ATOM 0 HG2 PRO A 43 58.400 -5.646 -23.817 1.00 0.00 H new ATOM 0 HG3 PRO A 43 57.466 -5.600 -22.336 1.00 0.00 H new ATOM 0 HD2 PRO A 43 56.783 -6.949 -24.959 1.00 0.00 H new ATOM 0 HD3 PRO A 43 56.451 -7.495 -23.327 1.00 0.00 H new ATOM 673 N GLY A 44 54.060 -2.557 -24.698 1.00 0.00 N ATOM 674 CA GLY A 44 53.371 -1.756 -25.707 1.00 0.00 C ATOM 675 C GLY A 44 54.269 -1.425 -26.901 1.00 0.00 C ATOM 676 O GLY A 44 53.774 -1.212 -28.009 1.00 0.00 O ATOM 0 H GLY A 44 54.063 -2.151 -23.762 1.00 0.00 H new ATOM 0 HA2 GLY A 44 52.491 -2.295 -26.056 1.00 0.00 H new ATOM 0 HA3 GLY A 44 53.018 -0.830 -25.253 1.00 0.00 H new ATOM 680 N THR A 45 55.582 -1.381 -26.684 1.00 0.00 N ATOM 681 CA THR A 45 56.517 -1.075 -27.762 1.00 0.00 C ATOM 682 C THR A 45 56.345 -2.058 -28.916 1.00 0.00 C ATOM 683 O THR A 45 56.072 -3.239 -28.703 1.00 0.00 O ATOM 684 CB THR A 45 57.953 -1.142 -27.240 1.00 0.00 C ATOM 685 OG1 THR A 45 58.079 -0.305 -26.099 1.00 0.00 O ATOM 686 CG2 THR A 45 58.918 -0.671 -28.330 1.00 0.00 C ATOM 0 H THR A 45 56.019 -1.552 -25.778 1.00 0.00 H new ATOM 0 HA THR A 45 56.309 -0.068 -28.125 1.00 0.00 H new ATOM 0 HB THR A 45 58.193 -2.169 -26.966 1.00 0.00 H new ATOM 0 HG1 THR A 45 58.998 -0.348 -25.762 1.00 0.00 H new ATOM 0 HG21 THR A 45 59.941 -0.719 -27.956 1.00 0.00 H new ATOM 0 HG22 THR A 45 58.821 -1.314 -29.205 1.00 0.00 H new ATOM 0 HG23 THR A 45 58.681 0.356 -28.607 1.00 0.00 H new ATOM 694 N HIS A 46 56.507 -1.563 -30.139 1.00 0.00 N ATOM 695 CA HIS A 46 56.356 -2.405 -31.319 1.00 0.00 C ATOM 696 C HIS A 46 57.626 -3.212 -31.569 1.00 0.00 C ATOM 697 O HIS A 46 57.518 -4.292 -32.125 1.00 0.00 O ATOM 698 CB HIS A 46 56.051 -1.539 -32.543 1.00 0.00 C ATOM 699 CG HIS A 46 55.703 -2.337 -33.770 1.00 0.00 C ATOM 700 ND1 HIS A 46 54.534 -3.076 -33.862 1.00 0.00 N ATOM 701 CD2 HIS A 46 56.359 -2.522 -34.962 1.00 0.00 C ATOM 702 CE1 HIS A 46 54.522 -3.666 -35.071 1.00 0.00 C ATOM 703 NE2 HIS A 46 55.610 -3.362 -35.783 1.00 0.00 N ATOM 704 OXT HIS A 46 58.688 -2.737 -31.199 1.00 0.00 O ATOM 0 H HIS A 46 56.741 -0.590 -30.338 1.00 0.00 H new ATOM 0 HA HIS A 46 55.530 -3.094 -31.146 1.00 0.00 H new ATOM 0 HB2 HIS A 46 55.224 -0.870 -32.308 1.00 0.00 H new ATOM 0 HB3 HIS A 46 56.916 -0.912 -32.760 1.00 0.00 H new ATOM 0 HD2 HIS A 46 57.311 -2.083 -35.223 1.00 0.00 H new ATOM 0 HE1 HIS A 46 53.728 -4.308 -35.423 1.00 0.00 H new ATOM 0 HE2 HIS A 46 55.843 -3.677 -36.725 1.00 0.00 H new TER 712 HIS A 46