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+ -162:sc= -0.0507 (180deg=-0.468) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.0368 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 21 CYS SG : rot 51:sc= -0.785 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 39 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 41 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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=-0.061) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 17.132 -10.068 29.965 1.00 0.00 N ATOM 2 CA ARG A 1 17.291 -11.106 28.909 1.00 0.00 C ATOM 3 C ARG A 1 17.430 -10.429 27.550 1.00 0.00 C ATOM 4 O ARG A 1 18.477 -10.514 26.908 1.00 0.00 O ATOM 5 CB ARG A 1 16.065 -12.024 28.912 1.00 0.00 C ATOM 6 CG ARG A 1 15.970 -12.745 30.257 1.00 0.00 C ATOM 7 CD ARG A 1 14.804 -13.734 30.226 1.00 0.00 C ATOM 8 NE ARG A 1 14.571 -14.285 31.565 1.00 0.00 N ATOM 9 CZ ARG A 1 15.395 -15.164 32.157 1.00 0.00 C ATOM 10 NH1 ARG A 1 16.486 -15.600 31.577 1.00 0.00 N ATOM 11 NH2 ARG A 1 15.098 -15.599 33.352 1.00 0.00 N ATOM 0 H1 ARG A 1 17.341 -10.484 30.895 1.00 0.00 H new ATOM 0 H2 ARG A 1 17.789 -9.283 29.782 1.00 0.00 H new ATOM 0 H3 ARG A 1 16.155 -9.711 29.957 1.00 0.00 H new ATOM 0 HA ARG A 1 18.184 -11.699 29.106 1.00 0.00 H new ATOM 0 HB2 ARG A 1 15.161 -11.441 28.735 1.00 0.00 H new ATOM 0 HB3 ARG A 1 16.139 -12.750 28.103 1.00 0.00 H new ATOM 0 HG2 ARG A 1 16.901 -13.271 30.466 1.00 0.00 H new ATOM 0 HG3 ARG A 1 15.826 -12.022 31.060 1.00 0.00 H new ATOM 0 HD2 ARG A 1 13.903 -13.235 29.869 1.00 0.00 H new ATOM 0 HD3 ARG A 1 15.020 -14.541 29.526 1.00 0.00 H new ATOM 0 HE ARG A 1 13.739 -13.985 32.073 1.00 0.00 H new ATOM 0 HH11 ARG A 1 16.734 -15.271 30.644 1.00 0.00 H new ATOM 0 HH12 ARG A 1 17.088 -16.268 32.059 1.00 0.00 H new ATOM 0 HH21 ARG A 1 14.253 -15.271 33.819 1.00 0.00 H new ATOM 0 HH22 ARG A 1 15.711 -16.267 33.819 1.00 0.00 H new ATOM 25 N SER A 2 16.367 -9.765 27.112 1.00 0.00 N ATOM 26 CA SER A 2 16.389 -9.065 25.829 1.00 0.00 C ATOM 27 C SER A 2 17.506 -8.018 25.757 1.00 0.00 C ATOM 28 O SER A 2 17.948 -7.663 24.665 1.00 0.00 O ATOM 29 CB SER A 2 15.042 -8.381 25.594 1.00 0.00 C ATOM 30 OG SER A 2 14.883 -7.326 26.534 1.00 0.00 O ATOM 0 H SER A 2 15.485 -9.695 27.620 1.00 0.00 H new ATOM 0 HA SER A 2 16.580 -9.809 25.056 1.00 0.00 H new ATOM 0 HB2 SER A 2 14.992 -7.989 24.578 1.00 0.00 H new ATOM 0 HB3 SER A 2 14.231 -9.102 25.698 1.00 0.00 H new ATOM 0 HG SER A 2 14.021 -6.883 26.386 1.00 0.00 H new ATOM 36 N LEU A 3 17.943 -7.506 26.905 1.00 0.00 N ATOM 37 CA LEU A 3 18.993 -6.489 26.937 1.00 0.00 C ATOM 38 C LEU A 3 20.282 -6.961 26.255 1.00 0.00 C ATOM 39 O LEU A 3 21.050 -6.144 25.746 1.00 0.00 O ATOM 40 CB LEU A 3 19.290 -6.115 28.390 1.00 0.00 C ATOM 41 CG LEU A 3 20.250 -4.925 28.438 1.00 0.00 C ATOM 42 CD1 LEU A 3 19.533 -3.668 27.941 1.00 0.00 C ATOM 43 CD2 LEU A 3 20.714 -4.707 29.879 1.00 0.00 C ATOM 0 H LEU A 3 17.589 -7.777 27.822 1.00 0.00 H new ATOM 0 HA LEU A 3 18.631 -5.622 26.385 1.00 0.00 H new ATOM 0 HB2 LEU A 3 18.363 -5.866 28.907 1.00 0.00 H new ATOM 0 HB3 LEU A 3 19.727 -6.967 28.911 1.00 0.00 H new ATOM 0 HG LEU A 3 21.111 -5.127 27.801 1.00 0.00 H new ATOM 0 HD11 LEU A 3 20.218 -2.821 27.976 1.00 0.00 H new ATOM 0 HD12 LEU A 3 19.198 -3.822 26.915 1.00 0.00 H new ATOM 0 HD13 LEU A 3 18.672 -3.465 28.578 1.00 0.00 H new ATOM 0 HD21 LEU A 3 21.398 -3.859 29.917 1.00 0.00 H new ATOM 0 HD22 LEU A 3 19.850 -4.504 30.513 1.00 0.00 H new ATOM 0 HD23 LEU A 3 21.224 -5.602 30.236 1.00 0.00 H new ATOM 55 N LEU A 4 20.519 -8.271 26.237 1.00 0.00 N ATOM 56 CA LEU A 4 21.739 -8.816 25.638 1.00 0.00 C ATOM 57 C LEU A 4 21.895 -8.422 24.166 1.00 0.00 C ATOM 58 O LEU A 4 23.011 -8.386 23.645 1.00 0.00 O ATOM 59 CB LEU A 4 21.749 -10.343 25.757 1.00 0.00 C ATOM 60 CG LEU A 4 22.234 -10.757 27.151 1.00 0.00 C ATOM 61 CD1 LEU A 4 21.061 -10.766 28.132 1.00 0.00 C ATOM 62 CD2 LEU A 4 22.845 -12.160 27.088 1.00 0.00 C ATOM 0 H LEU A 4 19.889 -8.972 26.627 1.00 0.00 H new ATOM 0 HA LEU A 4 22.579 -8.390 26.187 1.00 0.00 H new ATOM 0 HB2 LEU A 4 20.748 -10.736 25.579 1.00 0.00 H new ATOM 0 HB3 LEU A 4 22.400 -10.771 24.995 1.00 0.00 H new ATOM 0 HG LEU A 4 22.984 -10.043 27.490 1.00 0.00 H new ATOM 0 HD11 LEU A 4 21.415 -11.061 29.120 1.00 0.00 H new ATOM 0 HD12 LEU A 4 20.624 -9.769 28.186 1.00 0.00 H new ATOM 0 HD13 LEU A 4 20.306 -11.474 27.790 1.00 0.00 H new ATOM 0 HD21 LEU A 4 23.189 -12.452 28.080 1.00 0.00 H new ATOM 0 HD22 LEU A 4 22.093 -12.869 26.741 1.00 0.00 H new ATOM 0 HD23 LEU A 4 23.688 -12.159 26.397 1.00 0.00 H new ATOM 74 N GLU A 5 20.783 -8.127 23.498 1.00 0.00 N ATOM 75 CA GLU A 5 20.805 -7.822 22.067 1.00 0.00 C ATOM 76 C GLU A 5 21.465 -6.475 21.758 1.00 0.00 C ATOM 77 O GLU A 5 21.903 -6.251 20.630 1.00 0.00 O ATOM 78 CB GLU A 5 19.374 -7.816 21.528 1.00 0.00 C ATOM 79 CG GLU A 5 18.764 -9.215 21.676 1.00 0.00 C ATOM 80 CD GLU A 5 19.538 -10.254 20.861 1.00 0.00 C ATOM 81 OE1 GLU A 5 20.280 -9.874 19.966 1.00 0.00 O ATOM 82 OE2 GLU A 5 19.376 -11.429 21.147 1.00 0.00 O ATOM 0 H GLU A 5 19.856 -8.092 23.922 1.00 0.00 H new ATOM 0 HA GLU A 5 21.401 -8.595 21.582 1.00 0.00 H new ATOM 0 HB2 GLU A 5 18.773 -7.087 22.071 1.00 0.00 H new ATOM 0 HB3 GLU A 5 19.370 -7.515 20.480 1.00 0.00 H new ATOM 0 HG2 GLU A 5 18.763 -9.503 22.727 1.00 0.00 H new ATOM 0 HG3 GLU A 5 17.724 -9.196 21.349 1.00 0.00 H new ATOM 89 N GLY A 6 21.540 -5.580 22.743 1.00 0.00 N ATOM 90 CA GLY A 6 22.146 -4.267 22.524 1.00 0.00 C ATOM 91 C GLY A 6 21.329 -3.401 21.562 1.00 0.00 C ATOM 92 O GLY A 6 21.880 -2.532 20.887 1.00 0.00 O ATOM 0 H GLY A 6 21.193 -5.737 23.689 1.00 0.00 H new ATOM 0 HA2 GLY A 6 22.244 -3.751 23.479 1.00 0.00 H new ATOM 0 HA3 GLY A 6 23.153 -4.396 22.127 1.00 0.00 H new ATOM 96 N GLU A 7 20.019 -3.636 21.498 1.00 0.00 N ATOM 97 CA GLU A 7 19.152 -2.875 20.601 1.00 0.00 C ATOM 98 C GLU A 7 19.234 -1.367 20.856 1.00 0.00 C ATOM 99 O GLU A 7 18.956 -0.573 19.958 1.00 0.00 O ATOM 100 CB GLU A 7 17.705 -3.339 20.767 1.00 0.00 C ATOM 101 CG GLU A 7 17.585 -4.806 20.339 1.00 0.00 C ATOM 102 CD GLU A 7 16.137 -5.302 20.408 1.00 0.00 C ATOM 103 OE1 GLU A 7 15.291 -4.607 20.951 1.00 0.00 O ATOM 104 OE2 GLU A 7 15.892 -6.389 19.908 1.00 0.00 O ATOM 0 H GLU A 7 19.537 -4.343 22.053 1.00 0.00 H new ATOM 0 HA GLU A 7 19.495 -3.059 19.583 1.00 0.00 H new ATOM 0 HB2 GLU A 7 17.393 -3.225 21.805 1.00 0.00 H new ATOM 0 HB3 GLU A 7 17.042 -2.718 20.165 1.00 0.00 H new ATOM 0 HG2 GLU A 7 17.960 -4.920 19.322 1.00 0.00 H new ATOM 0 HG3 GLU A 7 18.212 -5.424 20.981 1.00 0.00 H new ATOM 111 N ILE A 8 19.612 -0.964 22.071 1.00 0.00 N ATOM 112 CA ILE A 8 19.693 0.457 22.408 1.00 0.00 C ATOM 113 C ILE A 8 20.626 1.175 21.420 1.00 0.00 C ATOM 114 O ILE A 8 21.628 0.587 21.009 1.00 0.00 O ATOM 115 CB ILE A 8 20.227 0.600 23.841 1.00 0.00 C ATOM 116 CG1 ILE A 8 19.282 -0.112 24.812 1.00 0.00 C ATOM 117 CG2 ILE A 8 20.321 2.075 24.238 1.00 0.00 C ATOM 118 CD1 ILE A 8 19.932 -0.183 26.195 1.00 0.00 C ATOM 0 H ILE A 8 19.865 -1.596 22.831 1.00 0.00 H new ATOM 0 HA ILE A 8 18.704 0.909 22.342 1.00 0.00 H new ATOM 0 HB ILE A 8 21.221 0.154 23.884 1.00 0.00 H new ATOM 0 HG12 ILE A 8 18.334 0.422 24.871 1.00 0.00 H new ATOM 0 HG13 ILE A 8 19.060 -1.116 24.450 1.00 0.00 H new ATOM 0 HG21 ILE A 8 20.701 2.154 25.256 1.00 0.00 H new ATOM 0 HG22 ILE A 8 20.997 2.593 23.557 1.00 0.00 H new ATOM 0 HG23 ILE A 8 19.332 2.530 24.184 1.00 0.00 H new ATOM 0 HD11 ILE A 8 19.260 -0.690 26.887 1.00 0.00 H new ATOM 0 HD12 ILE A 8 20.869 -0.736 26.129 1.00 0.00 H new ATOM 0 HD13 ILE A 8 20.131 0.826 26.556 1.00 0.00 H new ATOM 130 N PRO A 9 20.344 2.404 21.031 1.00 0.00 N ATOM 131 CA PRO A 9 21.210 3.122 20.043 1.00 0.00 C ATOM 132 C PRO A 9 22.664 3.216 20.497 1.00 0.00 C ATOM 133 O PRO A 9 22.949 3.380 21.683 1.00 0.00 O ATOM 134 CB PRO A 9 20.590 4.516 19.924 1.00 0.00 C ATOM 135 CG PRO A 9 19.182 4.361 20.383 1.00 0.00 C ATOM 136 CD PRO A 9 19.198 3.248 21.426 1.00 0.00 C ATOM 0 HA PRO A 9 21.243 2.589 19.093 1.00 0.00 H new ATOM 0 HB2 PRO A 9 21.127 5.239 20.539 1.00 0.00 H new ATOM 0 HB3 PRO A 9 20.631 4.878 18.897 1.00 0.00 H new ATOM 0 HG2 PRO A 9 18.807 5.291 20.811 1.00 0.00 H new ATOM 0 HG3 PRO A 9 18.526 4.106 19.550 1.00 0.00 H new ATOM 0 HD2 PRO A 9 19.324 3.646 22.433 1.00 0.00 H new ATOM 0 HD3 PRO A 9 18.266 2.683 21.421 1.00 0.00 H new ATOM 144 N PHE A 10 23.579 3.110 19.538 1.00 0.00 N ATOM 145 CA PHE A 10 25.000 3.268 19.818 1.00 0.00 C ATOM 146 C PHE A 10 25.679 4.011 18.656 1.00 0.00 C ATOM 147 O PHE A 10 26.497 3.426 17.939 1.00 0.00 O ATOM 148 CB PHE A 10 25.642 1.895 20.045 1.00 0.00 C ATOM 149 CG PHE A 10 25.403 1.344 21.431 1.00 0.00 C ATOM 150 CD1 PHE A 10 25.932 2.004 22.546 1.00 0.00 C ATOM 151 CD2 PHE A 10 24.652 0.175 21.600 1.00 0.00 C ATOM 152 CE1 PHE A 10 25.711 1.494 23.831 1.00 0.00 C ATOM 153 CE2 PHE A 10 24.431 -0.336 22.884 1.00 0.00 C ATOM 154 CZ PHE A 10 24.960 0.324 23.999 1.00 0.00 C ATOM 0 H PHE A 10 23.361 2.915 18.561 1.00 0.00 H new ATOM 0 HA PHE A 10 25.130 3.859 20.725 1.00 0.00 H new ATOM 0 HB2 PHE A 10 25.250 1.192 19.310 1.00 0.00 H new ATOM 0 HB3 PHE A 10 26.716 1.971 19.872 1.00 0.00 H new ATOM 0 HD1 PHE A 10 26.511 2.907 22.415 1.00 0.00 H new ATOM 0 HD2 PHE A 10 24.243 -0.333 20.739 1.00 0.00 H new ATOM 0 HE1 PHE A 10 26.119 2.002 24.692 1.00 0.00 H new ATOM 0 HE2 PHE A 10 23.853 -1.239 23.014 1.00 0.00 H new ATOM 0 HZ PHE A 10 24.789 -0.069 24.990 1.00 0.00 H new ATOM 164 N PRO A 11 25.350 5.269 18.432 1.00 0.00 N ATOM 165 CA PRO A 11 25.920 6.024 17.271 1.00 0.00 C ATOM 166 C PRO A 11 27.459 6.086 17.200 1.00 0.00 C ATOM 167 O PRO A 11 27.982 6.178 16.082 1.00 0.00 O ATOM 168 CB PRO A 11 25.314 7.434 17.374 1.00 0.00 C ATOM 169 CG PRO A 11 24.667 7.533 18.715 1.00 0.00 C ATOM 170 CD PRO A 11 24.411 6.110 19.204 1.00 0.00 C ATOM 0 HA PRO A 11 25.662 5.501 16.351 1.00 0.00 H new ATOM 0 HB2 PRO A 11 26.086 8.195 17.261 1.00 0.00 H new ATOM 0 HB3 PRO A 11 24.585 7.599 16.581 1.00 0.00 H new ATOM 0 HG2 PRO A 11 25.310 8.069 19.413 1.00 0.00 H new ATOM 0 HG3 PRO A 11 23.733 8.091 18.650 1.00 0.00 H new ATOM 0 HD2 PRO A 11 24.591 6.022 20.275 1.00 0.00 H new ATOM 0 HD3 PRO A 11 23.377 5.812 19.029 1.00 0.00 H new ATOM 178 N PRO A 12 28.206 6.062 18.295 1.00 0.00 N ATOM 179 CA PRO A 12 29.697 5.962 18.187 1.00 0.00 C ATOM 180 C PRO A 12 30.121 4.716 17.416 1.00 0.00 C ATOM 181 O PRO A 12 31.112 4.737 16.684 1.00 0.00 O ATOM 182 CB PRO A 12 30.187 5.894 19.636 1.00 0.00 C ATOM 183 CG PRO A 12 29.102 6.508 20.451 1.00 0.00 C ATOM 184 CD PRO A 12 27.797 6.250 19.701 1.00 0.00 C ATOM 0 HA PRO A 12 30.119 6.806 17.642 1.00 0.00 H new ATOM 0 HB2 PRO A 12 30.371 4.864 19.940 1.00 0.00 H new ATOM 0 HB3 PRO A 12 31.125 6.435 19.759 1.00 0.00 H new ATOM 0 HG2 PRO A 12 29.070 6.069 21.448 1.00 0.00 H new ATOM 0 HG3 PRO A 12 29.271 7.577 20.579 1.00 0.00 H new ATOM 0 HD2 PRO A 12 27.286 5.368 20.087 1.00 0.00 H new ATOM 0 HD3 PRO A 12 27.108 7.088 19.805 1.00 0.00 H new ATOM 192 N THR A 13 29.352 3.636 17.551 1.00 0.00 N ATOM 193 CA THR A 13 29.602 2.450 16.739 1.00 0.00 C ATOM 194 C THR A 13 29.477 2.768 15.249 1.00 0.00 C ATOM 195 O THR A 13 30.230 2.242 14.427 1.00 0.00 O ATOM 196 CB THR A 13 28.609 1.346 17.111 1.00 0.00 C ATOM 197 OG1 THR A 13 28.653 1.125 18.514 1.00 0.00 O ATOM 198 CG2 THR A 13 28.979 0.055 16.379 1.00 0.00 C ATOM 0 H THR A 13 28.569 3.559 18.200 1.00 0.00 H new ATOM 0 HA THR A 13 30.619 2.112 16.937 1.00 0.00 H new ATOM 0 HB THR A 13 27.603 1.650 16.821 1.00 0.00 H new ATOM 0 HG1 THR A 13 28.017 0.420 18.754 1.00 0.00 H new ATOM 0 HG21 THR A 13 28.271 -0.730 16.645 1.00 0.00 H new ATOM 0 HG22 THR A 13 28.945 0.224 15.303 1.00 0.00 H new ATOM 0 HG23 THR A 13 29.985 -0.251 16.667 1.00 0.00 H new ATOM 206 N SER A 14 28.552 3.664 14.902 1.00 0.00 N ATOM 207 CA SER A 14 28.337 4.004 13.501 1.00 0.00 C ATOM 208 C SER A 14 29.571 4.651 12.881 1.00 0.00 C ATOM 209 O SER A 14 30.017 4.238 11.808 1.00 0.00 O ATOM 210 CB SER A 14 27.147 4.955 13.374 1.00 0.00 C ATOM 211 OG SER A 14 26.816 5.108 12.000 1.00 0.00 O ATOM 0 H SER A 14 27.951 4.158 15.561 1.00 0.00 H new ATOM 0 HA SER A 14 28.134 3.078 12.964 1.00 0.00 H new ATOM 0 HB2 SER A 14 26.292 4.563 13.925 1.00 0.00 H new ATOM 0 HB3 SER A 14 27.391 5.923 13.812 1.00 0.00 H new ATOM 0 HG SER A 14 26.052 5.716 11.913 1.00 0.00 H new ATOM 217 N ILE A 15 30.137 5.653 13.561 1.00 0.00 N ATOM 218 CA ILE A 15 31.327 6.305 13.016 1.00 0.00 C ATOM 219 C ILE A 15 32.472 5.306 12.848 1.00 0.00 C ATOM 220 O ILE A 15 33.257 5.412 11.900 1.00 0.00 O ATOM 221 CB ILE A 15 31.762 7.493 13.882 1.00 0.00 C ATOM 222 CG1 ILE A 15 31.997 7.045 15.324 1.00 0.00 C ATOM 223 CG2 ILE A 15 30.668 8.562 13.861 1.00 0.00 C ATOM 224 CD1 ILE A 15 32.732 8.149 16.087 1.00 0.00 C ATOM 0 H ILE A 15 29.806 6.018 14.454 1.00 0.00 H new ATOM 0 HA ILE A 15 31.066 6.691 12.031 1.00 0.00 H new ATOM 0 HB ILE A 15 32.691 7.899 13.481 1.00 0.00 H new ATOM 0 HG12 ILE A 15 31.045 6.825 15.808 1.00 0.00 H new ATOM 0 HG13 ILE A 15 32.582 6.126 15.340 1.00 0.00 H new ATOM 0 HG21 ILE A 15 30.974 9.408 14.476 1.00 0.00 H new ATOM 0 HG22 ILE A 15 30.507 8.897 12.837 1.00 0.00 H new ATOM 0 HG23 ILE A 15 29.742 8.143 14.256 1.00 0.00 H new ATOM 0 HD11 ILE A 15 32.900 7.830 17.116 1.00 0.00 H new ATOM 0 HD12 ILE A 15 33.691 8.347 15.607 1.00 0.00 H new ATOM 0 HD13 ILE A 15 32.130 9.057 16.082 1.00 0.00 H new ATOM 236 N LEU A 16 32.549 4.306 13.733 1.00 0.00 N ATOM 237 CA LEU A 16 33.528 3.237 13.542 1.00 0.00 C ATOM 238 C LEU A 16 33.282 2.502 12.226 1.00 0.00 C ATOM 239 O LEU A 16 34.228 2.106 11.540 1.00 0.00 O ATOM 240 CB LEU A 16 33.464 2.244 14.705 1.00 0.00 C ATOM 241 CG LEU A 16 33.792 2.960 16.018 1.00 0.00 C ATOM 242 CD1 LEU A 16 33.566 2.004 17.191 1.00 0.00 C ATOM 243 CD2 LEU A 16 35.257 3.402 16.008 1.00 0.00 C ATOM 0 H LEU A 16 31.964 4.216 14.563 1.00 0.00 H new ATOM 0 HA LEU A 16 34.519 3.690 13.509 1.00 0.00 H new ATOM 0 HB2 LEU A 16 32.470 1.799 14.761 1.00 0.00 H new ATOM 0 HB3 LEU A 16 34.169 1.429 14.539 1.00 0.00 H new ATOM 0 HG LEU A 16 33.146 3.832 16.124 1.00 0.00 H new ATOM 0 HD11 LEU A 16 33.799 2.514 18.126 1.00 0.00 H new ATOM 0 HD12 LEU A 16 32.524 1.683 17.203 1.00 0.00 H new ATOM 0 HD13 LEU A 16 34.213 1.134 17.081 1.00 0.00 H new ATOM 0 HD21 LEU A 16 35.490 3.912 16.943 1.00 0.00 H new ATOM 0 HD22 LEU A 16 35.900 2.528 15.901 1.00 0.00 H new ATOM 0 HD23 LEU A 16 35.426 4.081 15.173 1.00 0.00 H new ATOM 255 N LEU A 17 32.010 2.352 11.849 1.00 0.00 N ATOM 256 CA LEU A 17 31.695 1.752 10.554 1.00 0.00 C ATOM 257 C LEU A 17 32.292 2.570 9.411 1.00 0.00 C ATOM 258 O LEU A 17 32.721 2.012 8.399 1.00 0.00 O ATOM 259 CB LEU A 17 30.180 1.639 10.367 1.00 0.00 C ATOM 260 CG LEU A 17 29.882 0.754 9.155 1.00 0.00 C ATOM 261 CD1 LEU A 17 30.196 -0.703 9.500 1.00 0.00 C ATOM 262 CD2 LEU A 17 28.403 0.879 8.785 1.00 0.00 C ATOM 0 H LEU A 17 31.202 2.630 12.406 1.00 0.00 H new ATOM 0 HA LEU A 17 32.133 0.754 10.536 1.00 0.00 H new ATOM 0 HB2 LEU A 17 29.723 1.216 11.261 1.00 0.00 H new ATOM 0 HB3 LEU A 17 29.745 2.628 10.224 1.00 0.00 H new ATOM 0 HG LEU A 17 30.497 1.071 8.313 1.00 0.00 H new ATOM 0 HD11 LEU A 17 29.984 -1.335 8.637 1.00 0.00 H new ATOM 0 HD12 LEU A 17 31.249 -0.795 9.767 1.00 0.00 H new ATOM 0 HD13 LEU A 17 29.579 -1.019 10.341 1.00 0.00 H new ATOM 0 HD21 LEU A 17 28.189 0.249 7.922 1.00 0.00 H new ATOM 0 HD22 LEU A 17 27.789 0.560 9.627 1.00 0.00 H new ATOM 0 HD23 LEU A 17 28.175 1.917 8.542 1.00 0.00 H new ATOM 274 N LEU A 18 32.343 3.894 9.579 1.00 0.00 N ATOM 275 CA LEU A 18 32.994 4.735 8.578 1.00 0.00 C ATOM 276 C LEU A 18 34.463 4.346 8.417 1.00 0.00 C ATOM 277 O LEU A 18 35.004 4.369 7.309 1.00 0.00 O ATOM 278 CB LEU A 18 32.894 6.209 8.972 1.00 0.00 C ATOM 279 CG LEU A 18 33.377 7.078 7.810 1.00 0.00 C ATOM 280 CD1 LEU A 18 32.338 7.054 6.688 1.00 0.00 C ATOM 281 CD2 LEU A 18 33.568 8.517 8.295 1.00 0.00 C ATOM 0 H LEU A 18 31.952 4.394 10.377 1.00 0.00 H new ATOM 0 HA LEU A 18 32.483 4.583 7.627 1.00 0.00 H new ATOM 0 HB2 LEU A 18 31.864 6.460 9.225 1.00 0.00 H new ATOM 0 HB3 LEU A 18 33.496 6.401 9.860 1.00 0.00 H new ATOM 0 HG LEU A 18 34.325 6.690 7.436 1.00 0.00 H new ATOM 0 HD11 LEU A 18 32.682 7.673 5.860 1.00 0.00 H new ATOM 0 HD12 LEU A 18 32.200 6.030 6.342 1.00 0.00 H new ATOM 0 HD13 LEU A 18 31.390 7.442 7.061 1.00 0.00 H new ATOM 0 HD21 LEU A 18 33.912 9.137 7.467 1.00 0.00 H new ATOM 0 HD22 LEU A 18 32.620 8.904 8.668 1.00 0.00 H new ATOM 0 HD23 LEU A 18 34.308 8.536 9.095 1.00 0.00 H new ATOM 293 N LEU A 19 35.101 3.945 9.519 1.00 0.00 N ATOM 294 CA LEU A 19 36.451 3.388 9.425 1.00 0.00 C ATOM 295 C LEU A 19 36.459 2.141 8.536 1.00 0.00 C ATOM 296 O LEU A 19 37.397 1.914 7.768 1.00 0.00 O ATOM 297 CB LEU A 19 36.965 3.038 10.826 1.00 0.00 C ATOM 298 CG LEU A 19 38.491 2.855 10.800 1.00 0.00 C ATOM 299 CD1 LEU A 19 39.075 3.221 12.169 1.00 0.00 C ATOM 300 CD2 LEU A 19 38.837 1.397 10.471 1.00 0.00 C ATOM 0 H LEU A 19 34.717 3.993 10.463 1.00 0.00 H new ATOM 0 HA LEU A 19 37.107 4.134 8.977 1.00 0.00 H new ATOM 0 HB2 LEU A 19 36.698 3.828 11.527 1.00 0.00 H new ATOM 0 HB3 LEU A 19 36.488 2.124 11.179 1.00 0.00 H new ATOM 0 HG LEU A 19 38.915 3.506 10.036 1.00 0.00 H new ATOM 0 HD11 LEU A 19 40.157 3.091 12.150 1.00 0.00 H new ATOM 0 HD12 LEU A 19 38.838 4.260 12.400 1.00 0.00 H new ATOM 0 HD13 LEU A 19 38.645 2.573 12.933 1.00 0.00 H new ATOM 0 HD21 LEU A 19 39.920 1.275 10.454 1.00 0.00 H new ATOM 0 HD22 LEU A 19 38.410 0.741 11.230 1.00 0.00 H new ATOM 0 HD23 LEU A 19 38.428 1.137 9.495 1.00 0.00 H new ATOM 312 N ALA A 20 35.369 1.374 8.578 1.00 0.00 N ATOM 313 CA ALA A 20 35.225 0.230 7.684 1.00 0.00 C ATOM 314 C ALA A 20 35.231 0.675 6.223 1.00 0.00 C ATOM 315 O ALA A 20 35.788 -0.003 5.359 1.00 0.00 O ATOM 316 CB ALA A 20 33.923 -0.513 7.989 1.00 0.00 C ATOM 0 H ALA A 20 34.584 1.523 9.213 1.00 0.00 H new ATOM 0 HA ALA A 20 36.071 -0.437 7.847 1.00 0.00 H new ATOM 0 HB1 ALA A 20 33.824 -1.365 7.317 1.00 0.00 H new ATOM 0 HB2 ALA A 20 33.938 -0.864 9.021 1.00 0.00 H new ATOM 0 HB3 ALA A 20 33.078 0.161 7.847 1.00 0.00 H new ATOM 322 N CYS A 21 34.630 1.833 5.951 1.00 0.00 N ATOM 323 CA CYS A 21 34.646 2.366 4.591 1.00 0.00 C ATOM 324 C CYS A 21 36.082 2.598 4.127 1.00 0.00 C ATOM 325 O CYS A 21 36.421 2.343 2.968 1.00 0.00 O ATOM 326 CB CYS A 21 33.865 3.681 4.521 1.00 0.00 C ATOM 327 SG CYS A 21 32.202 3.437 5.194 1.00 0.00 S ATOM 0 H CYS A 21 34.138 2.407 6.636 1.00 0.00 H new ATOM 0 HA CYS A 21 34.172 1.636 3.934 1.00 0.00 H new ATOM 0 HB2 CYS A 21 34.386 4.455 5.084 1.00 0.00 H new ATOM 0 HB3 CYS A 21 33.803 4.025 3.488 1.00 0.00 H new ATOM 0 HG CYS A 21 32.285 2.872 6.362 1.00 0.00 H new ATOM 333 N ILE A 22 36.937 3.061 5.040 1.00 0.00 N ATOM 334 CA ILE A 22 38.348 3.227 4.700 1.00 0.00 C ATOM 335 C ILE A 22 38.956 1.886 4.280 1.00 0.00 C ATOM 336 O ILE A 22 39.791 1.833 3.371 1.00 0.00 O ATOM 337 CB ILE A 22 39.116 3.799 5.900 1.00 0.00 C ATOM 338 CG1 ILE A 22 38.487 5.130 6.325 1.00 0.00 C ATOM 339 CG2 ILE A 22 40.580 4.045 5.517 1.00 0.00 C ATOM 340 CD1 ILE A 22 39.133 5.612 7.625 1.00 0.00 C ATOM 0 H ILE A 22 36.686 3.321 5.994 1.00 0.00 H new ATOM 0 HA ILE A 22 38.425 3.923 3.865 1.00 0.00 H new ATOM 0 HB ILE A 22 39.068 3.084 6.721 1.00 0.00 H new ATOM 0 HG12 ILE A 22 38.624 5.875 5.541 1.00 0.00 H new ATOM 0 HG13 ILE A 22 37.413 5.008 6.465 1.00 0.00 H new ATOM 0 HG21 ILE A 22 41.117 4.451 6.374 1.00 0.00 H new ATOM 0 HG22 ILE A 22 41.039 3.105 5.213 1.00 0.00 H new ATOM 0 HG23 ILE A 22 40.626 4.755 4.691 1.00 0.00 H new ATOM 0 HD11 ILE A 22 38.684 6.559 7.925 1.00 0.00 H new ATOM 0 HD12 ILE A 22 38.973 4.870 8.408 1.00 0.00 H new ATOM 0 HD13 ILE A 22 40.203 5.751 7.470 1.00 0.00 H new ATOM 352 N PHE A 23 38.514 0.795 4.910 1.00 0.00 N ATOM 353 CA PHE A 23 38.962 -0.528 4.476 1.00 0.00 C ATOM 354 C PHE A 23 38.575 -0.789 3.019 1.00 0.00 C ATOM 355 O PHE A 23 39.322 -1.433 2.279 1.00 0.00 O ATOM 356 CB PHE A 23 38.376 -1.625 5.367 1.00 0.00 C ATOM 357 CG PHE A 23 39.011 -2.977 5.141 1.00 0.00 C ATOM 358 CD1 PHE A 23 40.190 -3.318 5.814 1.00 0.00 C ATOM 359 CD2 PHE A 23 38.420 -3.888 4.257 1.00 0.00 C ATOM 360 CE1 PHE A 23 40.779 -4.570 5.603 1.00 0.00 C ATOM 361 CE2 PHE A 23 39.009 -5.140 4.046 1.00 0.00 C ATOM 362 CZ PHE A 23 40.188 -5.482 4.719 1.00 0.00 C ATOM 0 H PHE A 23 37.866 0.799 5.698 1.00 0.00 H new ATOM 0 HA PHE A 23 40.049 -0.547 4.560 1.00 0.00 H new ATOM 0 HB2 PHE A 23 38.502 -1.342 6.412 1.00 0.00 H new ATOM 0 HB3 PHE A 23 37.304 -1.699 5.184 1.00 0.00 H new ATOM 0 HD1 PHE A 23 40.645 -2.615 6.496 1.00 0.00 H new ATOM 0 HD2 PHE A 23 37.510 -3.625 3.738 1.00 0.00 H new ATOM 0 HE1 PHE A 23 41.689 -4.833 6.122 1.00 0.00 H new ATOM 0 HE2 PHE A 23 38.554 -5.843 3.364 1.00 0.00 H new ATOM 0 HZ PHE A 23 40.642 -6.449 4.557 1.00 0.00 H new ATOM 372 N LEU A 24 37.417 -0.270 2.597 1.00 0.00 N ATOM 373 CA LEU A 24 37.025 -0.398 1.195 1.00 0.00 C ATOM 374 C LEU A 24 38.051 0.256 0.273 1.00 0.00 C ATOM 375 O LEU A 24 38.315 -0.247 -0.822 1.00 0.00 O ATOM 376 CB LEU A 24 35.653 0.236 0.957 1.00 0.00 C ATOM 377 CG LEU A 24 35.161 -0.129 -0.446 1.00 0.00 C ATOM 378 CD1 LEU A 24 34.726 -1.595 -0.470 1.00 0.00 C ATOM 379 CD2 LEU A 24 33.973 0.760 -0.817 1.00 0.00 C ATOM 0 H LEU A 24 36.753 0.229 3.189 1.00 0.00 H new ATOM 0 HA LEU A 24 36.975 -1.463 0.966 1.00 0.00 H new ATOM 0 HB2 LEU A 24 34.943 -0.115 1.706 1.00 0.00 H new ATOM 0 HB3 LEU A 24 35.717 1.319 1.061 1.00 0.00 H new ATOM 0 HG LEU A 24 35.967 0.022 -1.163 1.00 0.00 H new ATOM 0 HD11 LEU A 24 34.376 -1.854 -1.469 1.00 0.00 H new ATOM 0 HD12 LEU A 24 35.572 -2.230 -0.206 1.00 0.00 H new ATOM 0 HD13 LEU A 24 33.920 -1.747 0.248 1.00 0.00 H new ATOM 0 HD21 LEU A 24 33.622 0.501 -1.816 1.00 0.00 H new ATOM 0 HD22 LEU A 24 33.167 0.609 -0.099 1.00 0.00 H new ATOM 0 HD23 LEU A 24 34.282 1.805 -0.801 1.00 0.00 H new ATOM 391 N ILE A 25 38.660 1.358 0.722 1.00 0.00 N ATOM 392 CA ILE A 25 39.764 1.943 -0.041 1.00 0.00 C ATOM 393 C ILE A 25 40.909 0.935 -0.191 1.00 0.00 C ATOM 394 O ILE A 25 41.579 0.894 -1.227 1.00 0.00 O ATOM 395 CB ILE A 25 40.275 3.223 0.635 1.00 0.00 C ATOM 396 CG1 ILE A 25 39.116 4.210 0.804 1.00 0.00 C ATOM 397 CG2 ILE A 25 41.356 3.873 -0.234 1.00 0.00 C ATOM 398 CD1 ILE A 25 39.581 5.412 1.630 1.00 0.00 C ATOM 0 H ILE A 25 38.417 1.849 1.582 1.00 0.00 H new ATOM 0 HA ILE A 25 39.390 2.199 -1.032 1.00 0.00 H new ATOM 0 HB ILE A 25 40.692 2.968 1.609 1.00 0.00 H new ATOM 0 HG12 ILE A 25 38.762 4.542 -0.172 1.00 0.00 H new ATOM 0 HG13 ILE A 25 38.277 3.720 1.297 1.00 0.00 H new ATOM 0 HG21 ILE A 25 41.715 4.781 0.251 1.00 0.00 H new ATOM 0 HG22 ILE A 25 42.186 3.178 -0.363 1.00 0.00 H new ATOM 0 HG23 ILE A 25 40.937 4.123 -1.209 1.00 0.00 H new ATOM 0 HD11 ILE A 25 38.755 6.113 1.749 1.00 0.00 H new ATOM 0 HD12 ILE A 25 39.913 5.073 2.611 1.00 0.00 H new ATOM 0 HD13 ILE A 25 40.406 5.907 1.119 1.00 0.00 H new ATOM 410 N ALA A 26 41.105 0.086 0.820 1.00 0.00 N ATOM 411 CA ALA A 26 42.078 -0.994 0.697 1.00 0.00 C ATOM 412 C ALA A 26 41.705 -1.925 -0.453 1.00 0.00 C ATOM 413 O ALA A 26 42.571 -2.370 -1.212 1.00 0.00 O ATOM 414 CB ALA A 26 42.140 -1.792 2.001 1.00 0.00 C ATOM 0 H ALA A 26 40.614 0.125 1.713 1.00 0.00 H new ATOM 0 HA ALA A 26 43.054 -0.555 0.492 1.00 0.00 H new ATOM 0 HB1 ALA A 26 42.869 -2.596 1.901 1.00 0.00 H new ATOM 0 HB2 ALA A 26 42.437 -1.133 2.817 1.00 0.00 H new ATOM 0 HB3 ALA A 26 41.159 -2.216 2.215 1.00 0.00 H new ATOM 420 N ILE A 27 40.408 -2.198 -0.603 1.00 0.00 N ATOM 421 CA ILE A 27 39.956 -3.030 -1.716 1.00 0.00 C ATOM 422 C ILE A 27 40.338 -2.401 -3.056 1.00 0.00 C ATOM 423 O ILE A 27 40.655 -3.113 -4.012 1.00 0.00 O ATOM 424 CB ILE A 27 38.434 -3.227 -1.657 1.00 0.00 C ATOM 425 CG1 ILE A 27 38.003 -3.758 -0.279 1.00 0.00 C ATOM 426 CG2 ILE A 27 38.003 -4.221 -2.738 1.00 0.00 C ATOM 427 CD1 ILE A 27 38.695 -5.088 0.048 1.00 0.00 C ATOM 0 H ILE A 27 39.669 -1.864 0.016 1.00 0.00 H new ATOM 0 HA ILE A 27 40.447 -3.999 -1.629 1.00 0.00 H new ATOM 0 HB ILE A 27 37.956 -2.262 -1.825 1.00 0.00 H new ATOM 0 HG12 ILE A 27 38.244 -3.022 0.488 1.00 0.00 H new ATOM 0 HG13 ILE A 27 36.922 -3.894 -0.261 1.00 0.00 H new ATOM 0 HG21 ILE A 27 36.923 -4.360 -2.695 1.00 0.00 H new ATOM 0 HG22 ILE A 27 38.280 -3.835 -3.719 1.00 0.00 H new ATOM 0 HG23 ILE A 27 38.499 -5.177 -2.571 1.00 0.00 H new ATOM 0 HD11 ILE A 27 38.369 -5.436 1.028 1.00 0.00 H new ATOM 0 HD12 ILE A 27 38.433 -5.830 -0.706 1.00 0.00 H new ATOM 0 HD13 ILE A 27 39.775 -4.944 0.055 1.00 0.00 H new ATOM 439 N LEU A 28 40.337 -1.067 -3.123 1.00 0.00 N ATOM 440 CA LEU A 28 40.818 -0.390 -4.329 1.00 0.00 C ATOM 441 C LEU A 28 42.277 -0.751 -4.611 1.00 0.00 C ATOM 442 O LEU A 28 42.684 -0.890 -5.767 1.00 0.00 O ATOM 443 CB LEU A 28 40.685 1.127 -4.181 1.00 0.00 C ATOM 444 CG LEU A 28 40.993 1.798 -5.521 1.00 0.00 C ATOM 445 CD1 LEU A 28 39.830 1.569 -6.488 1.00 0.00 C ATOM 446 CD2 LEU A 28 41.186 3.301 -5.302 1.00 0.00 C ATOM 0 H LEU A 28 40.018 -0.448 -2.378 1.00 0.00 H new ATOM 0 HA LEU A 28 40.205 -0.724 -5.166 1.00 0.00 H new ATOM 0 HB2 LEU A 28 39.677 1.385 -3.856 1.00 0.00 H new ATOM 0 HB3 LEU A 28 41.370 1.490 -3.414 1.00 0.00 H new ATOM 0 HG LEU A 28 41.903 1.370 -5.942 1.00 0.00 H new ATOM 0 HD11 LEU A 28 40.051 2.047 -7.442 1.00 0.00 H new ATOM 0 HD12 LEU A 28 39.690 0.499 -6.642 1.00 0.00 H new ATOM 0 HD13 LEU A 28 38.919 1.997 -6.069 1.00 0.00 H new ATOM 0 HD21 LEU A 28 41.406 3.782 -6.255 1.00 0.00 H new ATOM 0 HD22 LEU A 28 40.275 3.727 -4.882 1.00 0.00 H new ATOM 0 HD23 LEU A 28 42.015 3.465 -4.613 1.00 0.00 H new ATOM 458 N ALA A 29 43.057 -0.954 -3.548 1.00 0.00 N ATOM 459 CA ALA A 29 44.421 -1.449 -3.711 1.00 0.00 C ATOM 460 C ALA A 29 44.419 -2.824 -4.379 1.00 0.00 C ATOM 461 O ALA A 29 45.272 -3.124 -5.216 1.00 0.00 O ATOM 462 CB ALA A 29 45.108 -1.545 -2.347 1.00 0.00 C ATOM 0 H ALA A 29 42.773 -0.786 -2.583 1.00 0.00 H new ATOM 0 HA ALA A 29 44.966 -0.750 -4.346 1.00 0.00 H new ATOM 0 HB1 ALA A 29 46.125 -1.915 -2.477 1.00 0.00 H new ATOM 0 HB2 ALA A 29 45.137 -0.559 -1.884 1.00 0.00 H new ATOM 0 HB3 ALA A 29 44.552 -2.230 -1.707 1.00 0.00 H new ATOM 468 N ALA A 30 43.433 -3.648 -4.029 1.00 0.00 N ATOM 469 CA ALA A 30 43.291 -4.951 -4.671 1.00 0.00 C ATOM 470 C ALA A 30 43.074 -4.796 -6.173 1.00 0.00 C ATOM 471 O ALA A 30 43.596 -5.579 -6.969 1.00 0.00 O ATOM 472 CB ALA A 30 42.108 -5.706 -4.060 1.00 0.00 C ATOM 0 H ALA A 30 42.732 -3.441 -3.317 1.00 0.00 H new ATOM 0 HA ALA A 30 44.210 -5.514 -4.507 1.00 0.00 H new ATOM 0 HB1 ALA A 30 42.008 -6.678 -4.544 1.00 0.00 H new ATOM 0 HB2 ALA A 30 42.279 -5.848 -2.993 1.00 0.00 H new ATOM 0 HB3 ALA A 30 41.194 -5.131 -4.208 1.00 0.00 H new ATOM 478 N SER A 31 42.323 -3.767 -6.565 1.00 0.00 N ATOM 479 CA SER A 31 42.125 -3.495 -7.986 1.00 0.00 C ATOM 480 C SER A 31 43.460 -3.233 -8.682 1.00 0.00 C ATOM 481 O SER A 31 43.679 -3.675 -9.813 1.00 0.00 O ATOM 482 CB SER A 31 41.209 -2.283 -8.164 1.00 0.00 C ATOM 483 OG SER A 31 40.007 -2.496 -7.437 1.00 0.00 O ATOM 0 H SER A 31 41.851 -3.121 -5.933 1.00 0.00 H new ATOM 0 HA SER A 31 41.662 -4.372 -8.439 1.00 0.00 H new ATOM 0 HB2 SER A 31 41.707 -1.380 -7.810 1.00 0.00 H new ATOM 0 HB3 SER A 31 40.987 -2.131 -9.220 1.00 0.00 H new ATOM 0 HG SER A 31 39.417 -1.721 -7.546 1.00 0.00 H new ATOM 489 N ALA A 32 44.374 -2.557 -7.987 1.00 0.00 N ATOM 490 CA ALA A 32 45.708 -2.347 -8.541 1.00 0.00 C ATOM 491 C ALA A 32 46.396 -3.686 -8.791 1.00 0.00 C ATOM 492 O ALA A 32 47.064 -3.875 -9.812 1.00 0.00 O ATOM 493 CB ALA A 32 46.549 -1.510 -7.575 1.00 0.00 C ATOM 0 H ALA A 32 44.221 -2.155 -7.062 1.00 0.00 H new ATOM 0 HA ALA A 32 45.611 -1.817 -9.488 1.00 0.00 H new ATOM 0 HB1 ALA A 32 47.543 -1.358 -7.996 1.00 0.00 H new ATOM 0 HB2 ALA A 32 46.069 -0.544 -7.418 1.00 0.00 H new ATOM 0 HB3 ALA A 32 46.635 -2.031 -6.622 1.00 0.00 H new ATOM 499 N LEU A 33 46.209 -4.629 -7.868 1.00 0.00 N ATOM 500 CA LEU A 33 46.775 -5.960 -8.053 1.00 0.00 C ATOM 501 C LEU A 33 46.237 -6.611 -9.325 1.00 0.00 C ATOM 502 O LEU A 33 46.963 -7.329 -10.014 1.00 0.00 O ATOM 503 CB LEU A 33 46.447 -6.842 -6.845 1.00 0.00 C ATOM 504 CG LEU A 33 47.181 -8.180 -6.968 1.00 0.00 C ATOM 505 CD1 LEU A 33 48.676 -7.969 -6.722 1.00 0.00 C ATOM 506 CD2 LEU A 33 46.628 -9.158 -5.927 1.00 0.00 C ATOM 0 H LEU A 33 45.682 -4.499 -7.004 1.00 0.00 H new ATOM 0 HA LEU A 33 47.856 -5.859 -8.147 1.00 0.00 H new ATOM 0 HB2 LEU A 33 46.741 -6.338 -5.924 1.00 0.00 H new ATOM 0 HB3 LEU A 33 45.372 -7.010 -6.787 1.00 0.00 H new ATOM 0 HG LEU A 33 47.032 -8.586 -7.969 1.00 0.00 H new ATOM 0 HD11 LEU A 33 49.197 -8.922 -6.810 1.00 0.00 H new ATOM 0 HD12 LEU A 33 49.071 -7.270 -7.459 1.00 0.00 H new ATOM 0 HD13 LEU A 33 48.826 -7.564 -5.721 1.00 0.00 H new ATOM 0 HD21 LEU A 33 47.148 -10.112 -6.012 1.00 0.00 H new ATOM 0 HD22 LEU A 33 46.779 -8.750 -4.928 1.00 0.00 H new ATOM 0 HD23 LEU A 33 45.562 -9.309 -6.100 1.00 0.00 H new ATOM 518 N TRP A 34 44.970 -6.343 -9.654 1.00 0.00 N ATOM 519 CA TRP A 34 44.418 -6.834 -10.919 1.00 0.00 C ATOM 520 C TRP A 34 45.205 -6.299 -12.116 1.00 0.00 C ATOM 521 O TRP A 34 45.375 -6.993 -13.121 1.00 0.00 O ATOM 522 CB TRP A 34 42.949 -6.428 -11.054 1.00 0.00 C ATOM 523 CG TRP A 34 42.258 -7.075 -12.212 1.00 0.00 C ATOM 524 CD1 TRP A 34 41.619 -8.267 -12.169 1.00 0.00 C ATOM 525 CD2 TRP A 34 42.126 -6.589 -13.580 1.00 0.00 C ATOM 526 NE1 TRP A 34 41.102 -8.543 -13.421 1.00 0.00 N ATOM 527 CE2 TRP A 34 41.387 -7.540 -14.326 1.00 0.00 C ATOM 528 CE3 TRP A 34 42.568 -5.428 -14.238 1.00 0.00 C ATOM 529 CZ2 TRP A 34 41.101 -7.343 -15.680 1.00 0.00 C ATOM 530 CZ3 TRP A 34 42.283 -5.228 -15.597 1.00 0.00 C ATOM 531 CH2 TRP A 34 41.551 -6.182 -16.317 1.00 0.00 C ATOM 0 H TRP A 34 44.322 -5.804 -9.079 1.00 0.00 H new ATOM 0 HA TRP A 34 44.497 -7.921 -10.910 1.00 0.00 H new ATOM 0 HB2 TRP A 34 42.422 -6.687 -10.135 1.00 0.00 H new ATOM 0 HB3 TRP A 34 42.887 -5.345 -11.163 1.00 0.00 H new ATOM 0 HD1 TRP A 34 41.528 -8.900 -11.298 1.00 0.00 H new ATOM 0 HE1 TRP A 34 40.574 -9.385 -13.649 1.00 0.00 H new ATOM 0 HE3 TRP A 34 43.131 -4.685 -13.693 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 40.537 -8.082 -16.230 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 42.630 -4.333 -16.092 1.00 0.00 H new ATOM 0 HH2 TRP A 34 41.335 -6.021 -17.363 1.00 0.00 H new ATOM 542 N ALA A 35 45.738 -5.084 -11.982 1.00 0.00 N ATOM 543 CA ALA A 35 46.602 -4.537 -13.024 1.00 0.00 C ATOM 544 C ALA A 35 47.838 -5.412 -13.206 1.00 0.00 C ATOM 545 O ALA A 35 48.295 -5.636 -14.326 1.00 0.00 O ATOM 546 CB ALA A 35 47.032 -3.115 -12.656 1.00 0.00 C ATOM 0 H ALA A 35 45.590 -4.472 -11.179 1.00 0.00 H new ATOM 0 HA ALA A 35 46.042 -4.515 -13.959 1.00 0.00 H new ATOM 0 HB1 ALA A 35 47.676 -2.715 -13.439 1.00 0.00 H new ATOM 0 HB2 ALA A 35 46.150 -2.483 -12.554 1.00 0.00 H new ATOM 0 HB3 ALA A 35 47.577 -3.132 -11.712 1.00 0.00 H new ATOM 552 N ALA A 36 48.374 -5.904 -12.091 1.00 0.00 N ATOM 553 CA ALA A 36 49.475 -6.860 -12.144 1.00 0.00 C ATOM 554 C ALA A 36 49.068 -8.154 -12.848 1.00 0.00 C ATOM 555 O ALA A 36 49.879 -8.777 -13.533 1.00 0.00 O ATOM 556 CB ALA A 36 49.946 -7.183 -10.725 1.00 0.00 C ATOM 0 H ALA A 36 48.067 -5.659 -11.150 1.00 0.00 H new ATOM 0 HA ALA A 36 50.284 -6.403 -12.715 1.00 0.00 H new ATOM 0 HB1 ALA A 36 50.768 -7.897 -10.768 1.00 0.00 H new ATOM 0 HB2 ALA A 36 50.285 -6.269 -10.237 1.00 0.00 H new ATOM 0 HB3 ALA A 36 49.121 -7.613 -10.157 1.00 0.00 H new ATOM 562 N ALA A 37 47.815 -8.564 -12.660 1.00 0.00 N ATOM 563 CA ALA A 37 47.308 -9.775 -13.302 1.00 0.00 C ATOM 564 C ALA A 37 47.367 -9.687 -14.825 1.00 0.00 C ATOM 565 O ALA A 37 47.578 -10.693 -15.503 1.00 0.00 O ATOM 566 CB ALA A 37 45.863 -10.022 -12.868 1.00 0.00 C ATOM 0 H ALA A 37 47.136 -8.079 -12.073 1.00 0.00 H new ATOM 0 HA ALA A 37 47.946 -10.601 -12.989 1.00 0.00 H new ATOM 0 HB1 ALA A 37 45.488 -10.926 -13.349 1.00 0.00 H new ATOM 0 HB2 ALA A 37 45.824 -10.144 -11.786 1.00 0.00 H new ATOM 0 HB3 ALA A 37 45.245 -9.173 -13.160 1.00 0.00 H new ATOM 572 N TRP A 38 47.180 -8.485 -15.361 1.00 0.00 N ATOM 573 CA TRP A 38 47.268 -8.285 -16.807 1.00 0.00 C ATOM 574 C TRP A 38 48.619 -8.728 -17.377 1.00 0.00 C ATOM 575 O TRP A 38 48.711 -9.087 -18.550 1.00 0.00 O ATOM 576 CB TRP A 38 47.042 -6.809 -17.140 1.00 0.00 C ATOM 577 CG TRP A 38 47.030 -6.527 -18.609 1.00 0.00 C ATOM 578 CD1 TRP A 38 45.922 -6.498 -19.385 1.00 0.00 C ATOM 579 CD2 TRP A 38 48.156 -6.241 -19.490 1.00 0.00 C ATOM 580 NE1 TRP A 38 46.294 -6.209 -20.684 1.00 0.00 N ATOM 581 CE2 TRP A 38 47.659 -6.042 -20.802 1.00 0.00 C ATOM 582 CE3 TRP A 38 49.542 -6.134 -19.283 1.00 0.00 C ATOM 583 CZ2 TRP A 38 48.512 -5.748 -21.869 1.00 0.00 C ATOM 584 CZ3 TRP A 38 50.400 -5.839 -20.352 1.00 0.00 C ATOM 585 CH2 TRP A 38 49.888 -5.646 -21.642 1.00 0.00 C ATOM 0 H TRP A 38 46.969 -7.643 -14.825 1.00 0.00 H new ATOM 0 HA TRP A 38 46.495 -8.903 -17.264 1.00 0.00 H new ATOM 0 HB2 TRP A 38 46.094 -6.488 -16.708 1.00 0.00 H new ATOM 0 HB3 TRP A 38 47.825 -6.214 -16.670 1.00 0.00 H new ATOM 0 HD1 TRP A 38 44.912 -6.672 -19.045 1.00 0.00 H new ATOM 0 HE1 TRP A 38 45.639 -6.129 -21.462 1.00 0.00 H new ATOM 0 HE3 TRP A 38 49.949 -6.280 -18.293 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 48.112 -5.601 -22.861 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 51.463 -5.760 -20.180 1.00 0.00 H new ATOM 0 HH2 TRP A 38 50.555 -5.419 -22.460 1.00 0.00 H new ATOM 596 N HIS A 39 49.664 -8.702 -16.553 1.00 0.00 N ATOM 597 CA HIS A 39 51.000 -9.076 -17.009 1.00 0.00 C ATOM 598 C HIS A 39 51.050 -10.498 -17.575 1.00 0.00 C ATOM 599 O HIS A 39 51.903 -10.799 -18.411 1.00 0.00 O ATOM 600 CB HIS A 39 51.989 -8.961 -15.849 1.00 0.00 C ATOM 601 CG HIS A 39 53.412 -9.245 -16.248 1.00 0.00 C ATOM 602 ND1 HIS A 39 54.111 -8.431 -17.125 1.00 0.00 N ATOM 603 CD2 HIS A 39 54.279 -10.251 -15.897 1.00 0.00 C ATOM 604 CE1 HIS A 39 55.341 -8.955 -17.271 1.00 0.00 C ATOM 605 NE2 HIS A 39 55.498 -10.065 -16.545 1.00 0.00 N ATOM 0 H HIS A 39 49.612 -8.428 -15.572 1.00 0.00 H new ATOM 0 HA HIS A 39 51.270 -8.391 -17.813 1.00 0.00 H new ATOM 0 HB2 HIS A 39 51.930 -7.957 -15.429 1.00 0.00 H new ATOM 0 HB3 HIS A 39 51.695 -9.654 -15.060 1.00 0.00 H new ATOM 0 HD2 HIS A 39 54.050 -11.062 -15.222 1.00 0.00 H new ATOM 0 HE1 HIS A 39 56.109 -8.529 -17.900 1.00 0.00 H new ATOM 0 HE2 HIS A 39 56.331 -10.650 -16.479 1.00 0.00 H new ATOM 613 N GLY A 40 50.144 -11.368 -17.129 1.00 0.00 N ATOM 614 CA GLY A 40 50.185 -12.767 -17.541 1.00 0.00 C ATOM 615 C GLY A 40 50.111 -12.907 -19.058 1.00 0.00 C ATOM 616 O GLY A 40 49.339 -12.214 -19.722 1.00 0.00 O ATOM 0 H GLY A 40 49.384 -11.132 -16.491 1.00 0.00 H new ATOM 0 HA2 GLY A 40 51.103 -13.228 -17.177 1.00 0.00 H new ATOM 0 HA3 GLY A 40 49.355 -13.306 -17.084 1.00 0.00 H new ATOM 620 N GLN A 41 50.922 -13.812 -19.598 1.00 0.00 N ATOM 621 CA GLN A 41 50.891 -14.109 -21.029 1.00 0.00 C ATOM 622 C GLN A 41 49.512 -14.582 -21.497 1.00 0.00 C ATOM 623 O GLN A 41 49.160 -14.417 -22.665 1.00 0.00 O ATOM 624 CB GLN A 41 51.928 -15.186 -21.352 1.00 0.00 C ATOM 625 CG GLN A 41 53.332 -14.650 -21.065 1.00 0.00 C ATOM 626 CD GLN A 41 54.379 -15.737 -21.295 1.00 0.00 C ATOM 627 OE1 GLN A 41 54.056 -16.926 -21.328 1.00 0.00 O ATOM 628 NE2 GLN A 41 55.628 -15.398 -21.459 1.00 0.00 N ATOM 0 H GLN A 41 51.607 -14.352 -19.069 1.00 0.00 H new ATOM 0 HA GLN A 41 51.121 -13.184 -21.557 1.00 0.00 H new ATOM 0 HB2 GLN A 41 51.739 -16.078 -20.754 1.00 0.00 H new ATOM 0 HB3 GLN A 41 51.847 -15.481 -22.398 1.00 0.00 H new ATOM 0 HG2 GLN A 41 53.540 -13.795 -21.709 1.00 0.00 H new ATOM 0 HG3 GLN A 41 53.388 -14.295 -20.036 1.00 0.00 H new ATOM 0 HE21 GLN A 41 55.897 -14.415 -21.432 1.00 0.00 H new ATOM 0 HE22 GLN A 41 56.335 -16.116 -21.614 1.00 0.00 H new ATOM 637 N LYS A 42 48.733 -15.170 -20.591 1.00 0.00 N ATOM 638 CA LYS A 42 47.450 -15.759 -20.958 1.00 0.00 C ATOM 639 C LYS A 42 46.543 -14.727 -21.641 1.00 0.00 C ATOM 640 O LYS A 42 46.598 -13.549 -21.288 1.00 0.00 O ATOM 641 CB LYS A 42 46.750 -16.307 -19.711 1.00 0.00 C ATOM 642 CG LYS A 42 46.552 -15.180 -18.695 1.00 0.00 C ATOM 643 CD LYS A 42 45.882 -15.737 -17.437 1.00 0.00 C ATOM 644 CE LYS A 42 45.471 -14.582 -16.522 1.00 0.00 C ATOM 645 NZ LYS A 42 44.489 -15.072 -15.513 1.00 0.00 N ATOM 0 H LYS A 42 48.968 -15.250 -19.602 1.00 0.00 H new ATOM 0 HA LYS A 42 47.641 -16.571 -21.660 1.00 0.00 H new ATOM 0 HB2 LYS A 42 45.787 -16.738 -19.983 1.00 0.00 H new ATOM 0 HB3 LYS A 42 47.345 -17.107 -19.270 1.00 0.00 H new ATOM 0 HG2 LYS A 42 47.513 -14.733 -18.440 1.00 0.00 H new ATOM 0 HG3 LYS A 42 45.938 -14.390 -19.127 1.00 0.00 H new ATOM 0 HD2 LYS A 42 45.007 -16.328 -17.709 1.00 0.00 H new ATOM 0 HD3 LYS A 42 46.566 -16.404 -16.913 1.00 0.00 H new ATOM 0 HE2 LYS A 42 46.348 -14.171 -16.022 1.00 0.00 H new ATOM 0 HE3 LYS A 42 45.032 -13.776 -17.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 44.209 -14.287 -14.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 43.649 -15.445 -15.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 44.923 -15.827 -14.944 1.00 0.00 H new ATOM 659 N PRO A 43 45.721 -15.119 -22.596 1.00 0.00 N ATOM 660 CA PRO A 43 44.785 -14.160 -23.260 1.00 0.00 C ATOM 661 C PRO A 43 43.878 -13.462 -22.250 1.00 0.00 C ATOM 662 O PRO A 43 43.500 -14.049 -21.236 1.00 0.00 O ATOM 663 CB PRO A 43 43.963 -15.019 -24.228 1.00 0.00 C ATOM 664 CG PRO A 43 44.768 -16.252 -24.444 1.00 0.00 C ATOM 665 CD PRO A 43 45.551 -16.477 -23.154 1.00 0.00 C ATOM 0 HA PRO A 43 45.326 -13.362 -23.769 1.00 0.00 H new ATOM 0 HB2 PRO A 43 42.985 -15.257 -23.809 1.00 0.00 H new ATOM 0 HB3 PRO A 43 43.788 -14.494 -25.167 1.00 0.00 H new ATOM 0 HG2 PRO A 43 44.125 -17.104 -24.663 1.00 0.00 H new ATOM 0 HG3 PRO A 43 45.441 -16.134 -25.293 1.00 0.00 H new ATOM 0 HD2 PRO A 43 45.009 -17.126 -22.466 1.00 0.00 H new ATOM 0 HD3 PRO A 43 46.513 -16.952 -23.349 1.00 0.00 H new ATOM 673 N GLY A 44 43.532 -12.210 -22.532 1.00 0.00 N ATOM 674 CA GLY A 44 42.660 -11.449 -21.642 1.00 0.00 C ATOM 675 C GLY A 44 41.348 -12.189 -21.396 1.00 0.00 C ATOM 676 O GLY A 44 40.838 -12.876 -22.280 1.00 0.00 O ATOM 0 H GLY A 44 43.839 -11.703 -23.363 1.00 0.00 H new ATOM 0 HA2 GLY A 44 43.167 -11.275 -20.693 1.00 0.00 H new ATOM 0 HA3 GLY A 44 42.454 -10.471 -22.078 1.00 0.00 H new ATOM 680 N THR A 45 40.809 -12.045 -20.190 1.00 0.00 N ATOM 681 CA THR A 45 39.586 -12.748 -19.820 1.00 0.00 C ATOM 682 C THR A 45 38.458 -12.426 -20.796 1.00 0.00 C ATOM 683 O THR A 45 38.351 -11.303 -21.289 1.00 0.00 O ATOM 684 CB THR A 45 39.167 -12.353 -18.402 1.00 0.00 C ATOM 685 OG1 THR A 45 40.256 -12.557 -17.515 1.00 0.00 O ATOM 686 CG2 THR A 45 37.979 -13.209 -17.960 1.00 0.00 C ATOM 0 H THR A 45 41.197 -11.452 -19.456 1.00 0.00 H new ATOM 0 HA THR A 45 39.782 -13.820 -19.857 1.00 0.00 H new ATOM 0 HB THR A 45 38.878 -11.302 -18.388 1.00 0.00 H new ATOM 0 HG1 THR A 45 39.990 -12.303 -16.607 1.00 0.00 H new ATOM 0 HG21 THR A 45 37.682 -12.926 -16.950 1.00 0.00 H new ATOM 0 HG22 THR A 45 37.143 -13.051 -18.641 1.00 0.00 H new ATOM 0 HG23 THR A 45 38.264 -14.261 -17.973 1.00 0.00 H new ATOM 694 N HIS A 46 37.620 -13.420 -21.067 1.00 0.00 N ATOM 695 CA HIS A 46 36.504 -13.242 -21.989 1.00 0.00 C ATOM 696 C HIS A 46 35.248 -12.818 -21.234 1.00 0.00 C ATOM 697 O HIS A 46 34.748 -11.741 -21.514 1.00 0.00 O ATOM 698 CB HIS A 46 36.236 -14.547 -22.739 1.00 0.00 C ATOM 699 CG HIS A 46 35.106 -14.451 -23.728 1.00 0.00 C ATOM 700 ND1 HIS A 46 33.810 -14.824 -23.407 1.00 0.00 N ATOM 701 CD2 HIS A 46 35.061 -14.028 -25.034 1.00 0.00 C ATOM 702 CE1 HIS A 46 33.048 -14.622 -24.496 1.00 0.00 C ATOM 703 NE2 HIS A 46 33.760 -14.137 -25.517 1.00 0.00 N ATOM 704 OXT HIS A 46 34.804 -13.578 -20.389 1.00 0.00 O ATOM 0 H HIS A 46 37.691 -14.354 -20.663 1.00 0.00 H new ATOM 0 HA HIS A 46 36.766 -12.460 -22.702 1.00 0.00 H new ATOM 0 HB2 HIS A 46 37.143 -14.848 -23.264 1.00 0.00 H new ATOM 0 HB3 HIS A 46 36.010 -15.332 -22.017 1.00 0.00 H new ATOM 0 HD2 HIS A 46 35.906 -13.666 -25.600 1.00 0.00 H new ATOM 0 HE1 HIS A 46 31.989 -14.827 -24.540 1.00 0.00 H new ATOM 0 HE2 HIS A 46 33.423 -13.898 -26.450 1.00 0.00 H new TER 712 HIS A 46