USER MOD reduce.3.24.130724 H: found=0, std=0, add=343, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 345 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 16 GLN : amide:sc= -2.21 K(o=-3.5,f=-1.1) USER MOD Set 1.2: A 19 MET CE :methyl -174:sc= -1.3 (180deg=-0.333) USER MOD Single : A 1 GLY N :NH3+ -133:sc= 0.177 (180deg=-0.674) USER MOD Single : A 5 THR OG1 : rot -14:sc= 0.295 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 68:sc= 1 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 72:sc= 0.302 USER MOD Single : A 42 MET CE :methyl 166:sc=-0.00964 (180deg=-0.239) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -26.688 -7.331 45.172 1.00 0.00 N ATOM 2 CA GLY A 1 -27.428 -6.087 45.215 1.00 0.00 C ATOM 3 C GLY A 1 -26.978 -5.175 44.085 1.00 0.00 C ATOM 4 O GLY A 1 -26.104 -5.530 43.298 1.00 0.00 O ATOM 0 H1 GLY A 1 -27.346 -8.130 45.270 1.00 0.00 H new ATOM 0 H2 GLY A 1 -26.186 -7.405 44.264 1.00 0.00 H new ATOM 0 H3 GLY A 1 -25.999 -7.352 45.951 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -28.496 -6.287 45.129 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -27.272 -5.595 46.175 1.00 0.00 H new ATOM 8 N VAL A 2 -27.590 -3.996 44.020 1.00 0.00 N ATOM 9 CA VAL A 2 -27.272 -3.008 42.994 1.00 0.00 C ATOM 10 C VAL A 2 -25.887 -2.426 43.225 1.00 0.00 C ATOM 11 O VAL A 2 -25.099 -2.269 42.293 1.00 0.00 O ATOM 12 CB VAL A 2 -28.281 -1.844 42.999 1.00 0.00 C ATOM 13 CG1 VAL A 2 -27.827 -0.742 42.055 1.00 0.00 C ATOM 14 CG2 VAL A 2 -29.652 -2.326 42.551 1.00 0.00 C ATOM 0 H VAL A 2 -28.316 -3.700 44.673 1.00 0.00 H new ATOM 0 HA VAL A 2 -27.315 -3.524 42.035 1.00 0.00 H new ATOM 0 HB VAL A 2 -28.339 -1.459 44.017 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -28.551 0.072 42.071 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -26.854 -0.368 42.373 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -27.750 -1.139 41.043 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -30.352 -1.491 42.561 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -29.583 -2.731 41.541 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -30.004 -3.103 43.230 1.00 0.00 H new ATOM 24 N ILE A 3 -25.600 -2.108 44.484 1.00 0.00 N ATOM 25 CA ILE A 3 -24.312 -1.541 44.871 1.00 0.00 C ATOM 26 C ILE A 3 -23.199 -2.555 44.663 1.00 0.00 C ATOM 27 O ILE A 3 -22.104 -2.215 44.219 1.00 0.00 O ATOM 28 CB ILE A 3 -24.301 -1.124 46.354 1.00 0.00 C ATOM 29 CG1 ILE A 3 -25.260 0.045 46.586 1.00 0.00 C ATOM 30 CG2 ILE A 3 -22.905 -0.694 46.776 1.00 0.00 C ATOM 31 CD1 ILE A 3 -25.499 0.358 48.047 1.00 0.00 C ATOM 0 H ILE A 3 -26.249 -2.235 45.260 1.00 0.00 H new ATOM 0 HA ILE A 3 -24.152 -0.664 44.244 1.00 0.00 H new ATOM 0 HB ILE A 3 -24.616 -1.984 46.945 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -24.862 0.933 46.094 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -26.215 -0.181 46.111 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -22.916 -0.403 47.826 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -22.211 -1.523 46.636 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -22.586 0.153 46.168 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -26.189 1.198 48.131 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -25.927 -0.514 48.541 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -24.553 0.616 48.523 1.00 0.00 H new ATOM 43 N ASP A 4 -23.496 -3.809 44.991 1.00 0.00 N ATOM 44 CA ASP A 4 -22.536 -4.899 44.851 1.00 0.00 C ATOM 45 C ASP A 4 -21.955 -4.920 43.446 1.00 0.00 C ATOM 46 O ASP A 4 -20.761 -5.143 43.255 1.00 0.00 O ATOM 47 CB ASP A 4 -23.212 -6.246 45.115 1.00 0.00 C ATOM 48 CG ASP A 4 -23.555 -6.449 46.577 1.00 0.00 C ATOM 49 OD1 ASP A 4 -23.975 -7.569 46.939 1.00 0.00 O ATOM 50 OD2 ASP A 4 -23.404 -5.489 47.362 1.00 0.00 O ATOM 0 H ASP A 4 -24.403 -4.097 45.359 1.00 0.00 H new ATOM 0 HA ASP A 4 -21.740 -4.736 45.578 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -24.122 -6.315 44.519 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -22.554 -7.050 44.785 1.00 0.00 H new ATOM 56 N THR A 5 -22.820 -4.683 42.463 1.00 0.00 N ATOM 57 CA THR A 5 -22.420 -4.669 41.059 1.00 0.00 C ATOM 58 C THR A 5 -22.114 -3.250 40.608 1.00 0.00 C ATOM 59 O THR A 5 -21.735 -3.014 39.462 1.00 0.00 O ATOM 60 CB THR A 5 -23.531 -5.226 40.150 1.00 0.00 C ATOM 61 OG1 THR A 5 -24.702 -4.407 40.265 1.00 0.00 O ATOM 62 CG2 THR A 5 -23.885 -6.650 40.552 1.00 0.00 C ATOM 0 H THR A 5 -23.811 -4.496 42.616 1.00 0.00 H new ATOM 0 HA THR A 5 -21.533 -5.297 40.976 1.00 0.00 H new ATOM 0 HB THR A 5 -23.170 -5.223 39.121 1.00 0.00 H new ATOM 0 HG1 THR A 5 -24.618 -3.824 41.048 1.00 0.00 H new ATOM 0 HG21 THR A 5 -24.672 -7.028 39.899 1.00 0.00 H new ATOM 0 HG22 THR A 5 -23.003 -7.284 40.461 1.00 0.00 H new ATOM 0 HG23 THR A 5 -24.234 -6.660 41.584 1.00 0.00 H new ATOM 70 N SER A 6 -22.282 -2.305 41.529 1.00 0.00 N ATOM 71 CA SER A 6 -22.031 -0.894 41.253 1.00 0.00 C ATOM 72 C SER A 6 -20.678 -0.715 40.581 1.00 0.00 C ATOM 73 O SER A 6 -20.585 -0.208 39.464 1.00 0.00 O ATOM 74 CB SER A 6 -22.037 -0.085 42.551 1.00 0.00 C ATOM 75 OG SER A 6 -21.785 1.287 42.299 1.00 0.00 O ATOM 0 H SER A 6 -22.594 -2.494 42.482 1.00 0.00 H new ATOM 0 HA SER A 6 -22.822 -0.539 40.592 1.00 0.00 H new ATOM 0 HB2 SER A 6 -23.001 -0.196 43.047 1.00 0.00 H new ATOM 0 HB3 SER A 6 -21.281 -0.478 43.231 1.00 0.00 H new ATOM 0 HG SER A 6 -21.796 1.782 43.145 1.00 0.00 H new ATOM 81 N ALA A 7 -19.629 -1.139 41.280 1.00 0.00 N ATOM 82 CA ALA A 7 -18.263 -1.039 40.774 1.00 0.00 C ATOM 83 C ALA A 7 -18.117 -1.818 39.477 1.00 0.00 C ATOM 84 O ALA A 7 -17.474 -1.365 38.531 1.00 0.00 O ATOM 85 CB ALA A 7 -17.279 -1.603 41.788 1.00 0.00 C ATOM 0 H ALA A 7 -19.700 -1.559 42.207 1.00 0.00 H new ATOM 0 HA ALA A 7 -18.050 0.015 40.597 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -16.265 -1.521 41.396 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -17.354 -1.042 42.719 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -17.511 -2.651 41.977 1.00 0.00 H new ATOM 91 N VAL A 8 -18.725 -3.001 39.446 1.00 0.00 N ATOM 92 CA VAL A 8 -18.680 -3.870 38.274 1.00 0.00 C ATOM 93 C VAL A 8 -19.353 -3.200 37.088 1.00 0.00 C ATOM 94 O VAL A 8 -18.866 -3.265 35.960 1.00 0.00 O ATOM 95 CB VAL A 8 -19.400 -5.206 38.534 1.00 0.00 C ATOM 96 CG1 VAL A 8 -19.524 -6.004 37.245 1.00 0.00 C ATOM 97 CG2 VAL A 8 -18.627 -6.040 39.544 1.00 0.00 C ATOM 0 H VAL A 8 -19.259 -3.382 40.227 1.00 0.00 H new ATOM 0 HA VAL A 8 -17.628 -4.058 38.060 1.00 0.00 H new ATOM 0 HB VAL A 8 -20.392 -4.978 38.925 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -20.035 -6.945 37.447 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -20.095 -5.430 36.515 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -18.530 -6.209 36.847 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -19.150 -6.981 39.716 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -17.629 -6.245 39.158 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -18.547 -5.492 40.483 1.00 0.00 H new ATOM 107 N GLU A 9 -20.482 -2.552 37.358 1.00 0.00 N ATOM 108 CA GLU A 9 -21.248 -1.856 36.328 1.00 0.00 C ATOM 109 C GLU A 9 -20.383 -0.818 35.631 1.00 0.00 C ATOM 110 O GLU A 9 -20.466 -0.633 34.418 1.00 0.00 O ATOM 111 CB GLU A 9 -22.454 -1.145 36.946 1.00 0.00 C ATOM 112 CG GLU A 9 -23.349 -0.449 35.934 1.00 0.00 C ATOM 113 CD GLU A 9 -24.559 0.200 36.576 1.00 0.00 C ATOM 114 OE1 GLU A 9 -24.696 0.108 37.814 1.00 0.00 O ATOM 115 OE2 GLU A 9 -25.371 0.802 35.841 1.00 0.00 O ATOM 0 H GLU A 9 -20.890 -2.494 38.291 1.00 0.00 H new ATOM 0 HA GLU A 9 -21.587 -2.600 35.607 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -23.047 -1.873 37.500 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -22.098 -0.409 37.667 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -22.772 0.310 35.405 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -23.681 -1.173 35.190 1.00 0.00 H new ATOM 123 N SER A 10 -19.550 -0.143 36.417 1.00 0.00 N ATOM 124 CA SER A 10 -18.653 0.886 35.901 1.00 0.00 C ATOM 125 C SER A 10 -17.408 0.256 35.300 1.00 0.00 C ATOM 126 O SER A 10 -16.996 0.592 34.191 1.00 0.00 O ATOM 127 CB SER A 10 -18.222 1.832 37.023 1.00 0.00 C ATOM 128 OG SER A 10 -19.331 2.539 37.549 1.00 0.00 O ATOM 0 H SER A 10 -19.477 -0.292 37.423 1.00 0.00 H new ATOM 0 HA SER A 10 -19.193 1.442 35.134 1.00 0.00 H new ATOM 0 HB2 SER A 10 -17.740 1.263 37.818 1.00 0.00 H new ATOM 0 HB3 SER A 10 -17.483 2.538 36.644 1.00 0.00 H new ATOM 0 HG SER A 10 -19.029 3.135 38.266 1.00 0.00 H new ATOM 134 N ALA A 11 -16.812 -0.667 36.051 1.00 0.00 N ATOM 135 CA ALA A 11 -15.606 -1.366 35.616 1.00 0.00 C ATOM 136 C ALA A 11 -15.907 -2.254 34.420 1.00 0.00 C ATOM 137 O ALA A 11 -15.108 -2.362 33.491 1.00 0.00 O ATOM 138 CB ALA A 11 -15.064 -2.237 36.739 1.00 0.00 C ATOM 0 H ALA A 11 -17.148 -0.950 36.971 1.00 0.00 H new ATOM 0 HA ALA A 11 -14.866 -0.615 35.340 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -14.165 -2.751 36.399 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -14.822 -1.613 37.599 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -15.816 -2.972 37.025 1.00 0.00 H new ATOM 144 N ILE A 12 -17.074 -2.891 34.456 1.00 0.00 N ATOM 145 CA ILE A 12 -17.511 -3.780 33.385 1.00 0.00 C ATOM 146 C ILE A 12 -17.772 -2.992 32.112 1.00 0.00 C ATOM 147 O ILE A 12 -17.351 -3.382 31.024 1.00 0.00 O ATOM 148 CB ILE A 12 -18.810 -4.519 33.759 1.00 0.00 C ATOM 149 CG1 ILE A 12 -18.557 -5.489 34.914 1.00 0.00 C ATOM 150 CG2 ILE A 12 -19.334 -5.310 32.570 1.00 0.00 C ATOM 151 CD1 ILE A 12 -17.537 -6.562 34.599 1.00 0.00 C ATOM 0 H ILE A 12 -17.740 -2.806 35.224 1.00 0.00 H new ATOM 0 HA ILE A 12 -16.712 -4.504 33.229 1.00 0.00 H new ATOM 0 HB ILE A 12 -19.546 -3.772 34.057 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -18.220 -4.924 35.783 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -19.498 -5.965 35.189 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -20.252 -5.826 32.852 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -19.539 -4.630 31.743 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -18.587 -6.041 32.262 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -17.412 -7.211 35.466 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -17.881 -7.153 33.750 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -16.583 -6.096 34.354 1.00 0.00 H new ATOM 163 N THR A 13 -18.476 -1.873 32.263 1.00 0.00 N ATOM 164 CA THR A 13 -18.811 -1.004 31.138 1.00 0.00 C ATOM 165 C THR A 13 -17.551 -0.408 30.532 1.00 0.00 C ATOM 166 O THR A 13 -17.407 -0.330 29.313 1.00 0.00 O ATOM 167 CB THR A 13 -19.722 0.158 31.574 1.00 0.00 C ATOM 168 OG1 THR A 13 -20.957 -0.363 32.081 1.00 0.00 O ATOM 169 CG2 THR A 13 -20.020 1.073 30.396 1.00 0.00 C ATOM 0 H THR A 13 -18.828 -1.545 33.162 1.00 0.00 H new ATOM 0 HA THR A 13 -19.333 -1.621 30.406 1.00 0.00 H new ATOM 0 HB THR A 13 -19.209 0.727 32.349 1.00 0.00 H new ATOM 0 HG1 THR A 13 -20.791 -0.837 32.922 1.00 0.00 H new ATOM 0 HG21 THR A 13 -20.665 1.889 30.723 1.00 0.00 H new ATOM 0 HG22 THR A 13 -19.087 1.482 30.008 1.00 0.00 H new ATOM 0 HG23 THR A 13 -20.522 0.505 29.612 1.00 0.00 H new ATOM 177 N ASP A 14 -16.638 0.014 31.403 1.00 0.00 N ATOM 178 CA ASP A 14 -15.374 0.610 30.981 1.00 0.00 C ATOM 179 C ASP A 14 -14.488 -0.432 30.320 1.00 0.00 C ATOM 180 O ASP A 14 -13.963 -0.220 29.228 1.00 0.00 O ATOM 181 CB ASP A 14 -14.626 1.187 32.184 1.00 0.00 C ATOM 182 CG ASP A 14 -15.284 2.437 32.734 1.00 0.00 C ATOM 183 OD1 ASP A 14 -14.691 3.076 33.629 1.00 0.00 O ATOM 184 OD2 ASP A 14 -16.392 2.778 32.271 1.00 0.00 O ATOM 0 H ASP A 14 -16.752 -0.047 32.415 1.00 0.00 H new ATOM 0 HA ASP A 14 -15.603 1.405 30.271 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -14.572 0.433 32.970 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -13.601 1.418 31.893 1.00 0.00 H new ATOM 190 N GLY A 15 -14.328 -1.564 30.998 1.00 0.00 N ATOM 191 CA GLY A 15 -13.508 -2.664 30.498 1.00 0.00 C ATOM 192 C GLY A 15 -14.300 -3.520 29.523 1.00 0.00 C ATOM 193 O GLY A 15 -14.014 -3.552 28.327 1.00 0.00 O ATOM 0 H GLY A 15 -14.760 -1.745 31.904 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -12.620 -2.268 30.005 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -13.164 -3.276 31.331 1.00 0.00 H new ATOM 197 N GLN A 16 -15.303 -4.215 30.052 1.00 0.00 N ATOM 198 CA GLN A 16 -16.158 -5.083 29.250 1.00 0.00 C ATOM 199 C GLN A 16 -16.647 -4.352 28.010 1.00 0.00 C ATOM 200 O GLN A 16 -16.475 -4.820 26.886 1.00 0.00 O ATOM 201 CB GLN A 16 -17.377 -5.530 30.059 1.00 0.00 C ATOM 202 CG GLN A 16 -18.304 -6.476 29.313 1.00 0.00 C ATOM 203 CD GLN A 16 -17.644 -7.801 28.985 1.00 0.00 C ATOM 204 OE1 GLN A 16 -17.135 -8.488 29.871 1.00 0.00 O ATOM 205 NE2 GLN A 16 -17.651 -8.164 27.708 1.00 0.00 N ATOM 0 H GLN A 16 -15.545 -4.193 31.043 1.00 0.00 H new ATOM 0 HA GLN A 16 -15.568 -5.952 28.958 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -17.035 -6.018 30.972 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -17.942 -4.648 30.362 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -19.194 -6.657 29.916 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -18.635 -6.001 28.390 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -18.085 -7.561 27.009 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -17.222 -9.046 27.426 1.00 0.00 H new ATOM 214 N GLY A 17 -17.261 -3.193 28.232 1.00 0.00 N ATOM 215 CA GLY A 17 -17.788 -2.370 27.147 1.00 0.00 C ATOM 216 C GLY A 17 -16.724 -2.144 26.085 1.00 0.00 C ATOM 217 O GLY A 17 -16.975 -2.296 24.891 1.00 0.00 O ATOM 0 H GLY A 17 -17.407 -2.800 29.162 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -18.656 -2.856 26.702 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -18.126 -1.412 27.541 1.00 0.00 H new ATOM 221 N ASP A 18 -15.528 -1.778 26.538 1.00 0.00 N ATOM 222 CA ASP A 18 -14.401 -1.522 25.646 1.00 0.00 C ATOM 223 C ASP A 18 -14.134 -2.733 24.767 1.00 0.00 C ATOM 224 O ASP A 18 -13.412 -2.651 23.774 1.00 0.00 O ATOM 225 CB ASP A 18 -13.136 -1.221 26.453 1.00 0.00 C ATOM 226 CG ASP A 18 -13.195 0.125 27.148 1.00 0.00 C ATOM 227 OD1 ASP A 18 -12.153 0.811 27.203 1.00 0.00 O ATOM 228 OD2 ASP A 18 -14.283 0.494 27.637 1.00 0.00 O ATOM 0 H ASP A 18 -15.313 -1.651 27.527 1.00 0.00 H new ATOM 0 HA ASP A 18 -14.656 -0.663 25.026 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -12.989 -2.004 27.197 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -12.272 -1.246 25.789 1.00 0.00 H new ATOM 234 N MET A 19 -14.726 -3.861 25.146 1.00 0.00 N ATOM 235 CA MET A 19 -14.570 -5.111 24.409 1.00 0.00 C ATOM 236 C MET A 19 -15.172 -4.989 23.019 1.00 0.00 C ATOM 237 O MET A 19 -14.594 -5.443 22.033 1.00 0.00 O ATOM 238 CB MET A 19 -15.273 -6.256 25.141 1.00 0.00 C ATOM 239 CG MET A 19 -15.091 -7.616 24.486 1.00 0.00 C ATOM 240 SD MET A 19 -15.922 -8.938 25.387 1.00 0.00 S ATOM 241 CE MET A 19 -14.915 -9.026 26.865 1.00 0.00 C ATOM 0 H MET A 19 -15.325 -3.935 25.968 1.00 0.00 H new ATOM 0 HA MET A 19 -13.503 -5.320 24.333 1.00 0.00 H new ATOM 0 HB2 MET A 19 -14.898 -6.304 26.163 1.00 0.00 H new ATOM 0 HB3 MET A 19 -16.338 -6.034 25.202 1.00 0.00 H new ATOM 0 HG2 MET A 19 -15.476 -7.578 23.467 1.00 0.00 H new ATOM 0 HG3 MET A 19 -14.027 -7.842 24.417 1.00 0.00 H new ATOM 0 HE1 MET A 19 -15.237 -9.870 27.475 1.00 0.00 H new ATOM 0 HE2 MET A 19 -13.870 -9.158 26.586 1.00 0.00 H new ATOM 0 HE3 MET A 19 -15.024 -8.103 27.435 1.00 0.00 H new ATOM 251 N LYS A 20 -16.346 -4.367 22.954 1.00 0.00 N ATOM 252 CA LYS A 20 -17.055 -4.169 21.693 1.00 0.00 C ATOM 253 C LYS A 20 -16.186 -3.399 20.710 1.00 0.00 C ATOM 254 O LYS A 20 -16.136 -3.716 19.523 1.00 0.00 O ATOM 255 CB LYS A 20 -18.345 -3.378 21.922 1.00 0.00 C ATOM 256 CG LYS A 20 -19.181 -3.178 20.668 1.00 0.00 C ATOM 257 CD LYS A 20 -20.471 -2.436 20.978 1.00 0.00 C ATOM 258 CE LYS A 20 -21.300 -2.223 19.722 1.00 0.00 C ATOM 259 NZ LYS A 20 -22.573 -1.508 20.012 1.00 0.00 N ATOM 0 H LYS A 20 -16.830 -3.988 23.768 1.00 0.00 H new ATOM 0 HA LYS A 20 -17.292 -5.152 21.286 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -18.948 -3.895 22.669 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -18.092 -2.402 22.336 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -18.606 -2.619 19.930 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -19.413 -4.146 20.225 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -21.051 -3.000 21.708 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -20.239 -1.472 21.431 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -20.720 -1.652 18.997 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -21.521 -3.188 19.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -23.109 -1.382 19.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -23.138 -2.064 20.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -22.362 -0.577 20.424 1.00 0.00 H new ATOM 273 N ALA A 21 -15.502 -2.381 21.223 1.00 0.00 N ATOM 274 CA ALA A 21 -14.623 -1.543 20.411 1.00 0.00 C ATOM 275 C ALA A 21 -13.409 -2.334 19.953 1.00 0.00 C ATOM 276 O ALA A 21 -12.975 -2.227 18.807 1.00 0.00 O ATOM 277 CB ALA A 21 -14.143 -0.344 21.214 1.00 0.00 C ATOM 0 H ALA A 21 -15.540 -2.114 22.207 1.00 0.00 H new ATOM 0 HA ALA A 21 -15.191 -1.204 19.544 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -13.489 0.270 20.595 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -15.001 0.247 21.533 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -13.594 -0.689 22.090 1.00 0.00 H new ATOM 283 N ILE A 22 -12.864 -3.132 20.868 1.00 0.00 N ATOM 284 CA ILE A 22 -11.692 -3.956 20.585 1.00 0.00 C ATOM 285 C ILE A 22 -12.016 -4.994 19.523 1.00 0.00 C ATOM 286 O ILE A 22 -11.285 -5.155 18.547 1.00 0.00 O ATOM 287 CB ILE A 22 -11.208 -4.701 21.843 1.00 0.00 C ATOM 288 CG1 ILE A 22 -10.661 -3.709 22.872 1.00 0.00 C ATOM 289 CG2 ILE A 22 -10.105 -5.685 21.488 1.00 0.00 C ATOM 290 CD1 ILE A 22 -10.393 -4.323 24.229 1.00 0.00 C ATOM 0 H ILE A 22 -13.219 -3.225 21.820 1.00 0.00 H new ATOM 0 HA ILE A 22 -10.908 -3.283 20.237 1.00 0.00 H new ATOM 0 HB ILE A 22 -12.059 -5.238 22.262 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -9.736 -3.276 22.490 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -11.372 -2.891 22.988 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -9.775 -6.202 22.389 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -10.484 -6.412 20.770 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -9.264 -5.147 21.050 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -10.007 -3.559 24.904 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -11.320 -4.731 24.633 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -9.659 -5.122 24.128 1.00 0.00 H new ATOM 302 N GLY A 23 -13.125 -5.699 19.727 1.00 0.00 N ATOM 303 CA GLY A 23 -13.575 -6.733 18.799 1.00 0.00 C ATOM 304 C GLY A 23 -13.975 -6.117 17.468 1.00 0.00 C ATOM 305 O GLY A 23 -13.628 -6.624 16.402 1.00 0.00 O ATOM 0 H GLY A 23 -13.734 -5.571 20.535 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -12.780 -7.462 18.644 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -14.421 -7.270 19.227 1.00 0.00 H new ATOM 309 N GLY A 24 -14.711 -5.012 17.545 1.00 0.00 N ATOM 310 CA GLY A 24 -15.177 -4.302 16.358 1.00 0.00 C ATOM 311 C GLY A 24 -14.005 -3.675 15.619 1.00 0.00 C ATOM 312 O GLY A 24 -13.811 -3.901 14.426 1.00 0.00 O ATOM 0 H GLY A 24 -15.000 -4.586 18.426 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -15.704 -4.991 15.698 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -15.889 -3.529 16.646 1.00 0.00 H new ATOM 316 N TYR A 25 -13.224 -2.882 16.347 1.00 0.00 N ATOM 317 CA TYR A 25 -12.059 -2.205 15.785 1.00 0.00 C ATOM 318 C TYR A 25 -11.111 -3.212 15.156 1.00 0.00 C ATOM 319 O TYR A 25 -10.534 -2.968 14.097 1.00 0.00 O ATOM 320 CB TYR A 25 -11.303 -1.445 16.876 1.00 0.00 C ATOM 321 CG TYR A 25 -10.070 -0.725 16.379 1.00 0.00 C ATOM 322 CD1 TYR A 25 -10.177 0.480 15.695 1.00 0.00 C ATOM 323 CD2 TYR A 25 -8.803 -1.252 16.595 1.00 0.00 C ATOM 324 CE1 TYR A 25 -9.055 1.145 15.237 1.00 0.00 C ATOM 325 CE2 TYR A 25 -7.670 -0.600 16.144 1.00 0.00 C ATOM 326 CZ TYR A 25 -7.806 0.607 15.461 1.00 0.00 C ATOM 327 OH TYR A 25 -6.688 1.268 15.006 1.00 0.00 O ATOM 0 H TYR A 25 -13.379 -2.691 17.337 1.00 0.00 H new ATOM 0 HA TYR A 25 -12.414 -1.507 15.027 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -11.976 -0.719 17.333 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -11.012 -2.146 17.658 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -11.154 0.904 15.518 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -8.701 -2.188 17.125 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -9.156 2.080 14.707 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -6.691 -1.021 16.319 1.00 0.00 H new ATOM 0 HH TYR A 25 -5.886 0.758 15.246 1.00 0.00 H new ATOM 337 N ILE A 26 -10.957 -4.352 15.824 1.00 0.00 N ATOM 338 CA ILE A 26 -10.081 -5.421 15.352 1.00 0.00 C ATOM 339 C ILE A 26 -10.718 -6.153 14.182 1.00 0.00 C ATOM 340 O ILE A 26 -10.068 -6.431 13.176 1.00 0.00 O ATOM 341 CB ILE A 26 -9.802 -6.453 16.461 1.00 0.00 C ATOM 342 CG1 ILE A 26 -8.975 -5.820 17.582 1.00 0.00 C ATOM 343 CG2 ILE A 26 -9.029 -7.638 15.903 1.00 0.00 C ATOM 344 CD1 ILE A 26 -8.864 -6.683 18.820 1.00 0.00 C ATOM 0 H ILE A 26 -11.432 -4.560 16.702 1.00 0.00 H new ATOM 0 HA ILE A 26 -9.145 -4.952 15.047 1.00 0.00 H new ATOM 0 HB ILE A 26 -10.762 -6.790 16.853 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -7.974 -5.608 17.207 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -9.422 -4.864 17.855 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -8.840 -8.357 16.700 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -9.612 -8.114 15.115 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -8.080 -7.293 15.494 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -8.264 -6.168 19.570 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -9.859 -6.874 19.221 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -8.389 -7.629 18.562 1.00 0.00 H new ATOM 356 N VAL A 27 -12.004 -6.460 14.328 1.00 0.00 N ATOM 357 CA VAL A 27 -12.760 -7.164 13.295 1.00 0.00 C ATOM 358 C VAL A 27 -13.087 -6.226 12.144 1.00 0.00 C ATOM 359 O VAL A 27 -13.190 -6.644 10.992 1.00 0.00 O ATOM 360 CB VAL A 27 -14.087 -7.719 13.846 1.00 0.00 C ATOM 361 CG1 VAL A 27 -15.077 -6.590 14.086 1.00 0.00 C ATOM 362 CG2 VAL A 27 -14.704 -8.699 12.860 1.00 0.00 C ATOM 0 H VAL A 27 -12.549 -6.230 15.159 1.00 0.00 H new ATOM 0 HA VAL A 27 -12.136 -7.989 12.951 1.00 0.00 H new ATOM 0 HB VAL A 27 -13.871 -8.227 14.786 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -16.009 -7.000 14.475 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -14.660 -5.888 14.808 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -15.273 -6.072 13.147 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -15.641 -9.081 13.265 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -14.898 -8.191 11.915 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -14.016 -9.528 12.692 1.00 0.00 H new ATOM 372 N GLY A 28 -13.249 -4.947 12.472 1.00 0.00 N ATOM 373 CA GLY A 28 -13.567 -3.922 11.483 1.00 0.00 C ATOM 374 C GLY A 28 -12.338 -3.582 10.655 1.00 0.00 C ATOM 375 O GLY A 28 -12.443 -3.099 9.529 1.00 0.00 O ATOM 0 H GLY A 28 -13.164 -4.594 13.425 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -14.367 -4.273 10.831 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -13.935 -3.026 11.984 1.00 0.00 H new ATOM 379 N ALA A 29 -11.168 -3.842 11.231 1.00 0.00 N ATOM 380 CA ALA A 29 -9.895 -3.573 10.569 1.00 0.00 C ATOM 381 C ALA A 29 -9.510 -4.733 9.664 1.00 0.00 C ATOM 382 O ALA A 29 -8.892 -4.545 8.617 1.00 0.00 O ATOM 383 CB ALA A 29 -8.793 -3.378 11.599 1.00 0.00 C ATOM 0 H ALA A 29 -11.075 -4.243 12.164 1.00 0.00 H new ATOM 0 HA ALA A 29 -10.012 -2.666 9.976 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -7.850 -3.178 11.090 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -9.043 -2.535 12.244 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -8.695 -4.280 12.203 1.00 0.00 H new ATOM 389 N LEU A 30 -9.884 -5.937 10.085 1.00 0.00 N ATOM 390 CA LEU A 30 -9.590 -7.153 9.330 1.00 0.00 C ATOM 391 C LEU A 30 -10.125 -7.041 7.912 1.00 0.00 C ATOM 392 O LEU A 30 -9.567 -7.609 6.975 1.00 0.00 O ATOM 393 CB LEU A 30 -10.238 -8.368 9.997 1.00 0.00 C ATOM 394 CG LEU A 30 -9.634 -8.812 11.331 1.00 0.00 C ATOM 395 CD1 LEU A 30 -10.449 -9.942 11.941 1.00 0.00 C ATOM 396 CD2 LEU A 30 -8.208 -9.305 11.137 1.00 0.00 C ATOM 0 H LEU A 30 -10.396 -6.098 10.952 1.00 0.00 H new ATOM 0 HA LEU A 30 -8.507 -7.277 9.308 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -11.294 -8.148 10.156 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -10.188 -9.207 9.303 1.00 0.00 H new ATOM 0 HG LEU A 30 -9.642 -7.948 11.996 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -10.002 -10.242 12.889 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -11.470 -9.602 12.113 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -10.459 -10.792 11.259 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -7.797 -9.616 12.097 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -8.206 -10.151 10.450 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -7.598 -8.501 10.724 1.00 0.00 H new ATOM 408 N VAL A 31 -11.219 -6.298 7.767 1.00 0.00 N ATOM 409 CA VAL A 31 -11.856 -6.092 6.469 1.00 0.00 C ATOM 410 C VAL A 31 -10.856 -5.541 5.467 1.00 0.00 C ATOM 411 O VAL A 31 -10.900 -5.863 4.281 1.00 0.00 O ATOM 412 CB VAL A 31 -13.026 -5.096 6.566 1.00 0.00 C ATOM 413 CG1 VAL A 31 -13.538 -4.738 5.179 1.00 0.00 C ATOM 414 CG2 VAL A 31 -14.174 -5.699 7.361 1.00 0.00 C ATOM 0 H VAL A 31 -11.686 -5.825 8.540 1.00 0.00 H new ATOM 0 HA VAL A 31 -12.230 -7.062 6.143 1.00 0.00 H new ATOM 0 HB VAL A 31 -12.659 -4.200 7.067 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -14.365 -4.033 5.267 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -12.734 -4.284 4.600 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -13.883 -5.640 4.674 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -14.992 -4.981 7.420 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -14.522 -6.606 6.867 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -13.832 -5.942 8.367 1.00 0.00 H new ATOM 424 N ILE A 32 -9.949 -4.703 5.961 1.00 0.00 N ATOM 425 CA ILE A 32 -8.919 -4.087 5.128 1.00 0.00 C ATOM 426 C ILE A 32 -7.968 -5.144 4.590 1.00 0.00 C ATOM 427 O ILE A 32 -7.580 -5.117 3.423 1.00 0.00 O ATOM 428 CB ILE A 32 -8.088 -3.063 5.923 1.00 0.00 C ATOM 429 CG1 ILE A 32 -8.954 -1.864 6.317 1.00 0.00 C ATOM 430 CG2 ILE A 32 -6.921 -2.560 5.087 1.00 0.00 C ATOM 431 CD1 ILE A 32 -8.291 -0.930 7.305 1.00 0.00 C ATOM 0 H ILE A 32 -9.906 -4.433 6.944 1.00 0.00 H new ATOM 0 HA ILE A 32 -9.433 -3.582 4.310 1.00 0.00 H new ATOM 0 HB ILE A 32 -7.714 -3.560 6.818 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -9.212 -1.303 5.419 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -9.888 -2.228 6.745 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -6.345 -1.837 5.664 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -6.281 -3.399 4.813 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -7.300 -2.083 4.183 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -8.966 -0.106 7.535 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -8.057 -1.474 8.220 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -7.371 -0.536 6.872 1.00 0.00 H new ATOM 443 N LEU A 33 -7.597 -6.079 5.460 1.00 0.00 N ATOM 444 CA LEU A 33 -6.688 -7.163 5.099 1.00 0.00 C ATOM 445 C LEU A 33 -7.298 -8.028 4.008 1.00 0.00 C ATOM 446 O LEU A 33 -6.653 -8.340 3.008 1.00 0.00 O ATOM 447 CB LEU A 33 -6.400 -8.048 6.314 1.00 0.00 C ATOM 448 CG LEU A 33 -5.513 -7.439 7.401 1.00 0.00 C ATOM 449 CD1 LEU A 33 -5.414 -8.371 8.599 1.00 0.00 C ATOM 450 CD2 LEU A 33 -4.107 -7.194 6.873 1.00 0.00 C ATOM 0 H LEU A 33 -7.915 -6.107 6.429 1.00 0.00 H new ATOM 0 HA LEU A 33 -5.762 -6.714 4.741 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -7.351 -8.329 6.766 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -5.930 -8.967 5.964 1.00 0.00 H new ATOM 0 HG LEU A 33 -5.967 -6.495 7.701 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -4.779 -7.919 9.360 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.409 -8.541 9.011 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -4.984 -9.322 8.285 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -3.492 -6.761 7.662 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -3.670 -8.139 6.550 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -4.150 -6.507 6.028 1.00 0.00 H new ATOM 462 N ALA A 34 -8.554 -8.412 4.214 1.00 0.00 N ATOM 463 CA ALA A 34 -9.282 -9.245 3.260 1.00 0.00 C ATOM 464 C ALA A 34 -9.358 -8.561 1.905 1.00 0.00 C ATOM 465 O ALA A 34 -9.203 -9.195 0.862 1.00 0.00 O ATOM 466 CB ALA A 34 -10.699 -9.499 3.751 1.00 0.00 C ATOM 0 H ALA A 34 -9.094 -8.157 5.041 1.00 0.00 H new ATOM 0 HA ALA A 34 -8.747 -10.190 3.167 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -11.228 -10.121 3.029 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -10.665 -10.009 4.713 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -11.221 -8.549 3.863 1.00 0.00 H new ATOM 472 N VAL A 35 -9.600 -7.253 1.934 1.00 0.00 N ATOM 473 CA VAL A 35 -9.703 -6.452 0.718 1.00 0.00 C ATOM 474 C VAL A 35 -8.446 -6.597 -0.123 1.00 0.00 C ATOM 475 O VAL A 35 -8.509 -6.748 -1.342 1.00 0.00 O ATOM 476 CB VAL A 35 -9.887 -4.957 1.041 1.00 0.00 C ATOM 477 CG1 VAL A 35 -9.782 -4.122 -0.226 1.00 0.00 C ATOM 478 CG2 VAL A 35 -11.251 -4.712 1.667 1.00 0.00 C ATOM 0 H VAL A 35 -9.729 -6.722 2.795 1.00 0.00 H new ATOM 0 HA VAL A 35 -10.573 -6.817 0.171 1.00 0.00 H new ATOM 0 HB VAL A 35 -9.102 -4.669 1.740 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -9.914 -3.069 0.021 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -8.801 -4.268 -0.678 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -10.555 -4.430 -0.930 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -11.364 -3.651 1.889 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -12.031 -5.023 0.972 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -11.337 -5.287 2.589 1.00 0.00 H new ATOM 488 N ALA A 36 -7.298 -6.550 0.547 1.00 0.00 N ATOM 489 CA ALA A 36 -6.002 -6.673 -0.115 1.00 0.00 C ATOM 490 C ALA A 36 -5.848 -8.055 -0.729 1.00 0.00 C ATOM 491 O ALA A 36 -5.429 -8.198 -1.877 1.00 0.00 O ATOM 492 CB ALA A 36 -4.874 -6.460 0.883 1.00 0.00 C ATOM 0 H ALA A 36 -7.239 -6.426 1.558 1.00 0.00 H new ATOM 0 HA ALA A 36 -5.953 -5.914 -0.896 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -3.915 -6.555 0.374 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -4.957 -5.464 1.318 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -4.941 -7.208 1.673 1.00 0.00 H new ATOM 498 N GLY A 37 -6.194 -9.074 0.053 1.00 0.00 N ATOM 499 CA GLY A 37 -6.104 -10.462 -0.388 1.00 0.00 C ATOM 500 C GLY A 37 -6.764 -10.632 -1.747 1.00 0.00 C ATOM 501 O GLY A 37 -6.126 -11.034 -2.719 1.00 0.00 O ATOM 0 H GLY A 37 -6.543 -8.962 1.005 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -5.058 -10.765 -0.444 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -6.586 -11.114 0.341 1.00 0.00 H new ATOM 505 N LEU A 38 -8.056 -10.320 -1.801 1.00 0.00 N ATOM 506 CA LEU A 38 -8.834 -10.428 -3.032 1.00 0.00 C ATOM 507 C LEU A 38 -8.250 -9.532 -4.111 1.00 0.00 C ATOM 508 O LEU A 38 -8.192 -9.902 -5.282 1.00 0.00 O ATOM 509 CB LEU A 38 -10.285 -10.008 -2.788 1.00 0.00 C ATOM 510 CG LEU A 38 -11.135 -10.963 -1.947 1.00 0.00 C ATOM 511 CD1 LEU A 38 -12.507 -10.365 -1.677 1.00 0.00 C ATOM 512 CD2 LEU A 38 -11.327 -12.288 -2.669 1.00 0.00 C ATOM 0 H LEU A 38 -8.590 -9.987 -0.998 1.00 0.00 H new ATOM 0 HA LEU A 38 -8.800 -11.468 -3.356 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -10.282 -9.033 -2.300 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -10.771 -9.879 -3.755 1.00 0.00 H new ATOM 0 HG LEU A 38 -10.609 -11.125 -1.006 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -13.095 -11.060 -1.078 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -12.394 -9.425 -1.137 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -13.016 -10.181 -2.623 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -11.934 -12.953 -2.054 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -11.829 -12.114 -3.621 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -10.355 -12.748 -2.850 1.00 0.00 H new ATOM 524 N ILE A 39 -7.817 -8.344 -3.700 1.00 0.00 N ATOM 525 CA ILE A 39 -7.229 -7.368 -4.613 1.00 0.00 C ATOM 526 C ILE A 39 -6.012 -7.954 -5.308 1.00 0.00 C ATOM 527 O ILE A 39 -5.835 -7.803 -6.516 1.00 0.00 O ATOM 528 CB ILE A 39 -6.782 -6.096 -3.868 1.00 0.00 C ATOM 529 CG1 ILE A 39 -7.997 -5.337 -3.332 1.00 0.00 C ATOM 530 CG2 ILE A 39 -6.011 -5.175 -4.802 1.00 0.00 C ATOM 531 CD1 ILE A 39 -8.956 -4.880 -4.409 1.00 0.00 C ATOM 0 H ILE A 39 -7.863 -8.031 -2.730 1.00 0.00 H new ATOM 0 HA ILE A 39 -7.999 -7.113 -5.341 1.00 0.00 H new ATOM 0 HB ILE A 39 -6.142 -6.402 -3.040 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -8.532 -5.976 -2.630 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -7.652 -4.467 -2.773 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -5.703 -4.281 -4.259 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -5.129 -5.693 -5.178 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -6.648 -4.889 -5.639 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -9.791 -4.350 -3.951 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -8.438 -4.214 -5.099 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -9.331 -5.746 -4.954 1.00 0.00 H new ATOM 543 N TYR A 40 -5.174 -8.629 -4.526 1.00 0.00 N ATOM 544 CA TYR A 40 -3.958 -9.253 -5.041 1.00 0.00 C ATOM 545 C TYR A 40 -4.303 -10.427 -5.942 1.00 0.00 C ATOM 546 O TYR A 40 -3.696 -10.621 -6.994 1.00 0.00 O ATOM 547 CB TYR A 40 -3.090 -9.765 -3.890 1.00 0.00 C ATOM 548 CG TYR A 40 -1.795 -10.405 -4.337 1.00 0.00 C ATOM 549 CD1 TYR A 40 -0.714 -9.624 -4.728 1.00 0.00 C ATOM 550 CD2 TYR A 40 -1.657 -11.786 -4.367 1.00 0.00 C ATOM 551 CE1 TYR A 40 0.474 -10.199 -5.138 1.00 0.00 C ATOM 552 CE2 TYR A 40 -0.476 -12.379 -4.774 1.00 0.00 C ATOM 553 CZ TYR A 40 0.592 -11.572 -5.161 1.00 0.00 C ATOM 554 OH TYR A 40 1.774 -12.147 -5.569 1.00 0.00 O ATOM 0 H TYR A 40 -5.317 -8.759 -3.524 1.00 0.00 H new ATOM 0 HA TYR A 40 -3.412 -8.499 -5.609 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -2.862 -8.934 -3.223 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -3.662 -10.491 -3.312 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -0.804 -8.548 -4.711 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -2.487 -12.408 -4.067 1.00 0.00 H new ATOM 0 HE1 TYR A 40 1.304 -9.577 -5.438 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -0.382 -13.455 -4.792 1.00 0.00 H new ATOM 0 HH TYR A 40 1.695 -13.123 -5.527 1.00 0.00 H new ATOM 564 N SER A 41 -5.289 -11.211 -5.514 1.00 0.00 N ATOM 565 CA SER A 41 -5.739 -12.378 -6.265 1.00 0.00 C ATOM 566 C SER A 41 -6.233 -11.968 -7.643 1.00 0.00 C ATOM 567 O SER A 41 -5.836 -12.539 -8.657 1.00 0.00 O ATOM 568 CB SER A 41 -6.884 -13.079 -5.531 1.00 0.00 C ATOM 569 OG SER A 41 -6.440 -13.629 -4.302 1.00 0.00 O ATOM 0 H SER A 41 -5.795 -11.056 -4.642 1.00 0.00 H new ATOM 0 HA SER A 41 -4.891 -13.056 -6.363 1.00 0.00 H new ATOM 0 HB2 SER A 41 -7.690 -12.369 -5.345 1.00 0.00 H new ATOM 0 HB3 SER A 41 -7.294 -13.869 -6.160 1.00 0.00 H new ATOM 0 HG SER A 41 -6.269 -12.906 -3.663 1.00 0.00 H new ATOM 575 N MET A 42 -7.107 -10.966 -7.665 1.00 0.00 N ATOM 576 CA MET A 42 -7.675 -10.453 -8.909 1.00 0.00 C ATOM 577 C MET A 42 -6.587 -9.849 -9.782 1.00 0.00 C ATOM 578 O MET A 42 -6.571 -10.035 -10.998 1.00 0.00 O ATOM 579 CB MET A 42 -8.716 -9.371 -8.616 1.00 0.00 C ATOM 580 CG MET A 42 -9.422 -8.838 -9.853 1.00 0.00 C ATOM 581 SD MET A 42 -10.662 -7.589 -9.462 1.00 0.00 S ATOM 582 CE MET A 42 -9.619 -6.220 -8.965 1.00 0.00 C ATOM 0 H MET A 42 -7.440 -10.489 -6.827 1.00 0.00 H new ATOM 0 HA MET A 42 -8.145 -11.288 -9.429 1.00 0.00 H new ATOM 0 HB2 MET A 42 -9.461 -9.775 -7.931 1.00 0.00 H new ATOM 0 HB3 MET A 42 -8.228 -8.542 -8.103 1.00 0.00 H new ATOM 0 HG2 MET A 42 -8.684 -8.411 -10.532 1.00 0.00 H new ATOM 0 HG3 MET A 42 -9.899 -9.665 -10.379 1.00 0.00 H new ATOM 0 HE1 MET A 42 -10.211 -5.305 -8.932 1.00 0.00 H new ATOM 0 HE2 MET A 42 -9.204 -6.419 -7.977 1.00 0.00 H new ATOM 0 HE3 MET A 42 -8.807 -6.102 -9.683 1.00 0.00 H new ATOM 592 N LEU A 43 -5.677 -9.119 -9.143 1.00 0.00 N ATOM 593 CA LEU A 43 -4.569 -8.471 -9.837 1.00 0.00 C ATOM 594 C LEU A 43 -3.515 -9.494 -10.228 1.00 0.00 C ATOM 595 O LEU A 43 -2.946 -9.437 -11.317 1.00 0.00 O ATOM 596 CB LEU A 43 -3.914 -7.421 -8.937 1.00 0.00 C ATOM 597 CG LEU A 43 -4.733 -6.159 -8.660 1.00 0.00 C ATOM 598 CD1 LEU A 43 -4.021 -5.265 -7.657 1.00 0.00 C ATOM 599 CD2 LEU A 43 -4.944 -5.364 -9.939 1.00 0.00 C ATOM 0 H LEU A 43 -5.687 -8.961 -8.135 1.00 0.00 H new ATOM 0 HA LEU A 43 -4.970 -7.993 -10.731 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -3.675 -7.890 -7.983 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.969 -7.123 -9.391 1.00 0.00 H new ATOM 0 HG LEU A 43 -5.695 -6.477 -8.257 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -4.621 -4.373 -7.474 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -3.882 -5.807 -6.721 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -3.049 -4.973 -8.055 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -5.529 -4.471 -9.720 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -3.977 -5.073 -10.350 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -5.477 -5.978 -10.665 1.00 0.00 H new ATOM 611 N ARG A 44 -3.261 -10.434 -9.322 1.00 0.00 N ATOM 612 CA ARG A 44 -2.276 -11.488 -9.545 1.00 0.00 C ATOM 613 C ARG A 44 -2.880 -12.616 -10.366 1.00 0.00 C ATOM 614 O ARG A 44 -2.198 -13.259 -11.162 1.00 0.00 O ATOM 615 CB ARG A 44 -1.796 -12.064 -8.211 1.00 0.00 C ATOM 616 CG ARG A 44 -0.699 -13.107 -8.344 1.00 0.00 C ATOM 617 CD ARG A 44 0.588 -12.492 -8.869 1.00 0.00 C ATOM 618 NE ARG A 44 1.658 -13.479 -8.988 1.00 0.00 N ATOM 619 CZ ARG A 44 2.828 -13.246 -9.574 1.00 0.00 C ATOM 620 NH1 ARG A 44 3.082 -12.054 -10.097 1.00 0.00 N ATOM 621 NH2 ARG A 44 3.742 -14.204 -9.634 1.00 0.00 N ATOM 0 H ARG A 44 -3.729 -10.487 -8.417 1.00 0.00 H new ATOM 0 HA ARG A 44 -1.435 -11.049 -10.082 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -1.433 -11.249 -7.585 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -2.645 -12.510 -7.693 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -0.514 -13.569 -7.374 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -1.027 -13.899 -9.017 1.00 0.00 H new ATOM 0 HD2 ARG A 44 0.402 -12.039 -9.843 1.00 0.00 H new ATOM 0 HD3 ARG A 44 0.906 -11.691 -8.201 1.00 0.00 H new ATOM 0 HE ARG A 44 1.497 -14.407 -8.596 1.00 0.00 H new ATOM 0 HH11 ARG A 44 2.379 -11.316 -10.050 1.00 0.00 H new ATOM 0 HH12 ARG A 44 3.980 -11.875 -10.547 1.00 0.00 H new ATOM 0 HH21 ARG A 44 3.548 -15.120 -9.230 1.00 0.00 H new ATOM 0 HH22 ARG A 44 4.640 -14.025 -10.084 1.00 0.00 H new ATOM 635 N LYS A 45 -4.173 -12.847 -10.160 1.00 0.00 N ATOM 636 CA LYS A 45 -4.901 -13.894 -10.870 1.00 0.00 C ATOM 637 C LYS A 45 -5.144 -13.489 -12.314 1.00 0.00 C ATOM 638 O LYS A 45 -4.927 -14.271 -13.239 1.00 0.00 O ATOM 639 CB LYS A 45 -6.255 -14.150 -10.206 1.00 0.00 C ATOM 640 CG LYS A 45 -7.062 -15.265 -10.850 1.00 0.00 C ATOM 641 CD LYS A 45 -8.367 -15.503 -10.108 1.00 0.00 C ATOM 642 CE LYS A 45 -9.180 -16.609 -10.761 1.00 0.00 C ATOM 643 NZ LYS A 45 -10.457 -16.861 -10.037 1.00 0.00 N ATOM 0 H LYS A 45 -4.743 -12.317 -9.500 1.00 0.00 H new ATOM 0 HA LYS A 45 -4.295 -14.800 -10.837 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -6.092 -14.394 -9.156 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -6.840 -13.231 -10.233 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -7.273 -15.011 -11.889 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -6.474 -16.183 -10.860 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -8.156 -15.767 -9.072 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -8.950 -14.582 -10.089 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -9.396 -16.339 -11.795 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -8.591 -17.526 -10.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -10.982 -17.622 -10.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -10.251 -17.144 -9.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -11.031 -15.994 -10.034 1.00 0.00 H new ATOM 657 N ALA A 46 -5.599 -12.253 -12.495 1.00 0.00 N ATOM 658 CA ALA A 46 -5.883 -11.712 -13.821 1.00 0.00 C ATOM 659 C ALA A 46 -6.385 -10.280 -13.697 1.00 0.00 C ATOM 660 O ALA A 46 -6.498 -9.752 -12.593 1.00 0.00 O ATOM 661 CB ALA A 46 -6.920 -12.590 -14.517 1.00 0.00 C ATOM 0 H ALA A 46 -5.781 -11.601 -11.732 1.00 0.00 H new ATOM 0 HA ALA A 46 -4.971 -11.706 -14.418 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -7.133 -12.187 -15.507 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -6.532 -13.604 -14.614 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -7.837 -12.607 -13.928 1.00 0.00 H new