USER MOD reduce.3.24.130724 H: found=0, std=0, add=503, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 503 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 71 HIS : no HD1:sc= 0 X(o=0.00052,f=0.0028) USER MOD Set 1.2: A 73 SER OG : rot 33:sc=0.000525 USER MOD Set 2.1: A 14 THR OG1 : rot 180:sc= -0.698 USER MOD Set 2.2: A 17 MET CE :methyl 159:sc= -0.982 (180deg=-1.17) USER MOD Single : A 13 CYS SG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.0936 USER MOD Single : A 27 SER OG : rot -85:sc= 1.27 USER MOD Single : A 28 GLN : amide:sc= 1.06 K(o=1.1,f=-0.037) USER MOD Single : A 29 TYR OH : rot 30:sc= -0.413 USER MOD Single : A 33 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=-0.066) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=-0.039) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 CYS SG : rot 64:sc= 1.11 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -5.464 6.651 0.605 1.00 0.00 N ATOM 60 CA GLY A 7 -4.490 5.585 0.748 1.00 0.00 C ATOM 61 C GLY A 7 -4.910 4.548 1.770 1.00 0.00 C ATOM 62 O GLY A 7 -5.751 4.817 2.628 1.00 0.00 O ATOM 0 HA2 GLY A 7 -4.342 5.100 -0.217 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.530 6.011 1.041 1.00 0.00 H new ATOM 66 N VAL A 8 -4.326 3.357 1.679 1.00 0.00 N ATOM 67 CA VAL A 8 -4.645 2.276 2.603 1.00 0.00 C ATOM 68 C VAL A 8 -3.390 1.509 3.005 1.00 0.00 C ATOM 69 O VAL A 8 -2.391 1.511 2.286 1.00 0.00 O ATOM 70 CB VAL A 8 -5.659 1.293 1.988 1.00 0.00 C ATOM 71 CG1 VAL A 8 -6.960 2.007 1.655 1.00 0.00 C ATOM 72 CG2 VAL A 8 -5.074 0.630 0.750 1.00 0.00 C ATOM 0 H VAL A 8 -3.629 3.117 0.974 1.00 0.00 H new ATOM 0 HA VAL A 8 -5.086 2.735 3.488 1.00 0.00 H new ATOM 0 HB VAL A 8 -5.876 0.516 2.721 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -7.664 1.297 1.222 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -7.386 2.431 2.565 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -6.764 2.806 0.940 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -5.804 -0.061 0.328 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -4.827 1.392 0.011 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -4.171 0.083 1.022 1.00 0.00 H new ATOM 82 N PHE A 9 -3.449 0.854 4.160 1.00 0.00 N ATOM 83 CA PHE A 9 -2.317 0.082 4.659 1.00 0.00 C ATOM 84 C PHE A 9 -2.534 -1.411 4.432 1.00 0.00 C ATOM 85 O PHE A 9 -3.400 -2.026 5.055 1.00 0.00 O ATOM 86 CB PHE A 9 -2.103 0.357 6.149 1.00 0.00 C ATOM 87 CG PHE A 9 -1.447 1.680 6.426 1.00 0.00 C ATOM 88 CD1 PHE A 9 -0.271 2.033 5.786 1.00 0.00 C ATOM 89 CD2 PHE A 9 -2.009 2.571 7.327 1.00 0.00 C ATOM 90 CE1 PHE A 9 0.335 3.249 6.038 1.00 0.00 C ATOM 91 CE2 PHE A 9 -1.408 3.789 7.584 1.00 0.00 C ATOM 92 CZ PHE A 9 -0.234 4.128 6.939 1.00 0.00 C ATOM 0 H PHE A 9 -4.268 0.842 4.768 1.00 0.00 H new ATOM 0 HA PHE A 9 -1.428 0.390 4.108 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -3.066 0.324 6.658 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -1.491 -0.439 6.573 1.00 0.00 H new ATOM 0 HD1 PHE A 9 0.178 1.349 5.081 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -2.927 2.311 7.834 1.00 0.00 H new ATOM 0 HE1 PHE A 9 1.252 3.512 5.531 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -1.856 4.475 8.288 1.00 0.00 H new ATOM 0 HZ PHE A 9 0.238 5.079 7.139 1.00 0.00 H new ATOM 102 N VAL A 10 -1.741 -1.989 3.536 1.00 0.00 N ATOM 103 CA VAL A 10 -1.846 -3.410 3.226 1.00 0.00 C ATOM 104 C VAL A 10 -1.058 -4.249 4.225 1.00 0.00 C ATOM 105 O VAL A 10 0.048 -4.705 3.932 1.00 0.00 O ATOM 106 CB VAL A 10 -1.338 -3.713 1.803 1.00 0.00 C ATOM 107 CG1 VAL A 10 -1.693 -5.136 1.401 1.00 0.00 C ATOM 108 CG2 VAL A 10 -1.908 -2.711 0.810 1.00 0.00 C ATOM 0 H VAL A 10 -1.019 -1.495 3.012 1.00 0.00 H new ATOM 0 HA VAL A 10 -2.902 -3.671 3.290 1.00 0.00 H new ATOM 0 HB VAL A 10 -0.252 -3.620 1.796 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -1.326 -5.332 0.393 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.232 -5.837 2.097 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -2.776 -5.261 1.424 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.539 -2.940 -0.190 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -2.996 -2.770 0.818 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -1.597 -1.704 1.090 1.00 0.00 H new ATOM 118 N GLY A 11 -1.634 -4.450 5.406 1.00 0.00 N ATOM 119 CA GLY A 11 -0.971 -5.235 6.431 1.00 0.00 C ATOM 120 C GLY A 11 -0.760 -6.676 6.011 1.00 0.00 C ATOM 121 O GLY A 11 -1.121 -7.065 4.900 1.00 0.00 O ATOM 0 H GLY A 11 -2.548 -4.083 5.671 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -0.007 -4.783 6.664 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -1.564 -5.209 7.345 1.00 0.00 H new ATOM 125 N ARG A 12 -0.173 -7.470 6.901 1.00 0.00 N ATOM 126 CA ARG A 12 0.089 -8.876 6.616 1.00 0.00 C ATOM 127 C ARG A 12 0.778 -9.037 5.263 1.00 0.00 C ATOM 128 O ARG A 12 0.346 -9.830 4.427 1.00 0.00 O ATOM 129 CB ARG A 12 -1.216 -9.673 6.633 1.00 0.00 C ATOM 130 CG ARG A 12 -1.917 -9.664 7.982 1.00 0.00 C ATOM 131 CD ARG A 12 -2.688 -10.954 8.217 1.00 0.00 C ATOM 132 NE ARG A 12 -4.090 -10.832 7.825 1.00 0.00 N ATOM 133 CZ ARG A 12 -4.930 -11.860 7.773 1.00 0.00 C ATOM 134 NH1 ARG A 12 -4.513 -13.079 8.087 1.00 0.00 N ATOM 135 NH2 ARG A 12 -6.191 -11.669 7.407 1.00 0.00 N ATOM 0 H ARG A 12 0.130 -7.164 7.825 1.00 0.00 H new ATOM 0 HA ARG A 12 0.752 -9.261 7.391 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -1.890 -9.266 5.880 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -1.006 -10.704 6.349 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -1.181 -9.529 8.775 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -2.600 -8.816 8.033 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -2.223 -11.762 7.653 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -2.628 -11.225 9.271 1.00 0.00 H new ATOM 0 HE ARG A 12 -4.443 -9.908 7.578 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -3.545 -13.230 8.370 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -5.161 -13.866 8.046 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -6.516 -10.733 7.165 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -6.836 -12.458 7.367 1.00 0.00 H new ATOM 149 N CYS A 13 1.850 -8.281 5.057 1.00 0.00 N ATOM 150 CA CYS A 13 2.598 -8.339 3.807 1.00 0.00 C ATOM 151 C CYS A 13 3.955 -9.003 4.015 1.00 0.00 C ATOM 152 O CYS A 13 4.299 -9.406 5.128 1.00 0.00 O ATOM 153 CB CYS A 13 2.787 -6.933 3.236 1.00 0.00 C ATOM 154 SG CYS A 13 1.974 -6.667 1.643 1.00 0.00 S ATOM 0 H CYS A 13 2.221 -7.620 5.740 1.00 0.00 H new ATOM 0 HA CYS A 13 2.026 -8.938 3.098 1.00 0.00 H new ATOM 0 HB2 CYS A 13 2.404 -6.207 3.953 1.00 0.00 H new ATOM 0 HB3 CYS A 13 3.854 -6.738 3.124 1.00 0.00 H new ATOM 0 HG CYS A 13 2.190 -5.449 1.244 1.00 0.00 H new ATOM 160 N THR A 14 4.725 -9.116 2.938 1.00 0.00 N ATOM 161 CA THR A 14 6.044 -9.733 3.001 1.00 0.00 C ATOM 162 C THR A 14 7.056 -8.956 2.167 1.00 0.00 C ATOM 163 O THR A 14 6.743 -8.484 1.075 1.00 0.00 O ATOM 164 CB THR A 14 6.004 -11.194 2.511 1.00 0.00 C ATOM 165 OG1 THR A 14 5.758 -11.230 1.101 1.00 0.00 O ATOM 166 CG2 THR A 14 4.925 -11.980 3.240 1.00 0.00 C ATOM 0 H THR A 14 4.458 -8.788 2.010 1.00 0.00 H new ATOM 0 HA THR A 14 6.351 -9.716 4.047 1.00 0.00 H new ATOM 0 HB THR A 14 6.970 -11.652 2.723 1.00 0.00 H new ATOM 0 HG1 THR A 14 5.736 -12.161 0.797 1.00 0.00 H new ATOM 0 HG21 THR A 14 4.916 -13.008 2.877 1.00 0.00 H new ATOM 0 HG22 THR A 14 5.131 -11.975 4.310 1.00 0.00 H new ATOM 0 HG23 THR A 14 3.953 -11.522 3.055 1.00 0.00 H new ATOM 174 N GLY A 15 8.272 -8.829 2.688 1.00 0.00 N ATOM 175 CA GLY A 15 9.312 -8.108 1.977 1.00 0.00 C ATOM 176 C GLY A 15 9.501 -8.612 0.560 1.00 0.00 C ATOM 177 O GLY A 15 9.612 -7.822 -0.377 1.00 0.00 O ATOM 0 H GLY A 15 8.556 -9.212 3.590 1.00 0.00 H new ATOM 0 HA2 GLY A 15 9.062 -7.047 1.952 1.00 0.00 H new ATOM 0 HA3 GLY A 15 10.252 -8.202 2.521 1.00 0.00 H new ATOM 181 N ASP A 16 9.539 -9.931 0.403 1.00 0.00 N ATOM 182 CA ASP A 16 9.716 -10.540 -0.911 1.00 0.00 C ATOM 183 C ASP A 16 8.958 -9.757 -1.979 1.00 0.00 C ATOM 184 O ASP A 16 9.525 -9.377 -3.003 1.00 0.00 O ATOM 185 CB ASP A 16 9.241 -11.992 -0.891 1.00 0.00 C ATOM 186 CG ASP A 16 10.132 -12.905 -1.712 1.00 0.00 C ATOM 187 OD1 ASP A 16 9.909 -13.009 -2.936 1.00 0.00 O ATOM 188 OD2 ASP A 16 11.054 -13.513 -1.129 1.00 0.00 O ATOM 0 H ASP A 16 9.450 -10.599 1.169 1.00 0.00 H new ATOM 0 HA ASP A 16 10.778 -10.517 -1.155 1.00 0.00 H new ATOM 0 HB2 ASP A 16 9.212 -12.348 0.139 1.00 0.00 H new ATOM 0 HB3 ASP A 16 8.222 -12.043 -1.274 1.00 0.00 H new ATOM 193 N MET A 17 7.673 -9.523 -1.732 1.00 0.00 N ATOM 194 CA MET A 17 6.838 -8.785 -2.674 1.00 0.00 C ATOM 195 C MET A 17 7.470 -7.443 -3.026 1.00 0.00 C ATOM 196 O MET A 17 8.317 -6.932 -2.293 1.00 0.00 O ATOM 197 CB MET A 17 5.442 -8.568 -2.088 1.00 0.00 C ATOM 198 CG MET A 17 4.828 -9.826 -1.496 1.00 0.00 C ATOM 199 SD MET A 17 3.128 -10.089 -2.034 1.00 0.00 S ATOM 200 CE MET A 17 2.444 -10.920 -0.603 1.00 0.00 C ATOM 0 H MET A 17 7.188 -9.833 -0.890 1.00 0.00 H new ATOM 0 HA MET A 17 6.753 -9.375 -3.586 1.00 0.00 H new ATOM 0 HB2 MET A 17 5.497 -7.802 -1.315 1.00 0.00 H new ATOM 0 HB3 MET A 17 4.785 -8.186 -2.869 1.00 0.00 H new ATOM 0 HG2 MET A 17 5.432 -10.688 -1.779 1.00 0.00 H new ATOM 0 HG3 MET A 17 4.855 -9.761 -0.408 1.00 0.00 H new ATOM 0 HE1 MET A 17 1.359 -10.820 -0.609 1.00 0.00 H new ATOM 0 HE2 MET A 17 2.711 -11.976 -0.633 1.00 0.00 H new ATOM 0 HE3 MET A 17 2.845 -10.470 0.305 1.00 0.00 H new ATOM 210 N THR A 18 7.054 -6.875 -4.154 1.00 0.00 N ATOM 211 CA THR A 18 7.580 -5.593 -4.604 1.00 0.00 C ATOM 212 C THR A 18 6.453 -4.643 -4.995 1.00 0.00 C ATOM 213 O THR A 18 5.352 -5.077 -5.329 1.00 0.00 O ATOM 214 CB THR A 18 8.530 -5.765 -5.804 1.00 0.00 C ATOM 215 OG1 THR A 18 7.899 -6.553 -6.819 1.00 0.00 O ATOM 216 CG2 THR A 18 9.830 -6.429 -5.374 1.00 0.00 C ATOM 0 H THR A 18 6.354 -7.284 -4.773 1.00 0.00 H new ATOM 0 HA THR A 18 8.136 -5.169 -3.768 1.00 0.00 H new ATOM 0 HB THR A 18 8.760 -4.777 -6.202 1.00 0.00 H new ATOM 0 HG1 THR A 18 8.509 -6.656 -7.579 1.00 0.00 H new ATOM 0 HG21 THR A 18 10.485 -6.540 -6.238 1.00 0.00 H new ATOM 0 HG22 THR A 18 10.322 -5.812 -4.622 1.00 0.00 H new ATOM 0 HG23 THR A 18 9.615 -7.411 -4.953 1.00 0.00 H new ATOM 224 N GLU A 19 6.737 -3.345 -4.950 1.00 0.00 N ATOM 225 CA GLU A 19 5.747 -2.334 -5.300 1.00 0.00 C ATOM 226 C GLU A 19 5.068 -2.672 -6.624 1.00 0.00 C ATOM 227 O GLU A 19 3.887 -2.386 -6.820 1.00 0.00 O ATOM 228 CB GLU A 19 6.402 -0.954 -5.386 1.00 0.00 C ATOM 229 CG GLU A 19 7.004 -0.482 -4.075 1.00 0.00 C ATOM 230 CD GLU A 19 8.517 -0.572 -4.060 1.00 0.00 C ATOM 231 OE1 GLU A 19 9.169 0.301 -4.670 1.00 0.00 O ATOM 232 OE2 GLU A 19 9.049 -1.517 -3.441 1.00 0.00 O ATOM 0 H GLU A 19 7.644 -2.969 -4.675 1.00 0.00 H new ATOM 0 HA GLU A 19 4.989 -2.319 -4.517 1.00 0.00 H new ATOM 0 HB2 GLU A 19 7.183 -0.979 -6.146 1.00 0.00 H new ATOM 0 HB3 GLU A 19 5.659 -0.229 -5.716 1.00 0.00 H new ATOM 0 HG2 GLU A 19 6.704 0.550 -3.893 1.00 0.00 H new ATOM 0 HG3 GLU A 19 6.600 -1.080 -3.258 1.00 0.00 H new ATOM 239 N ASP A 20 5.825 -3.281 -7.530 1.00 0.00 N ATOM 240 CA ASP A 20 5.299 -3.658 -8.837 1.00 0.00 C ATOM 241 C ASP A 20 4.184 -4.690 -8.696 1.00 0.00 C ATOM 242 O ASP A 20 3.095 -4.521 -9.246 1.00 0.00 O ATOM 243 CB ASP A 20 6.416 -4.216 -9.720 1.00 0.00 C ATOM 244 CG ASP A 20 7.292 -3.124 -10.302 1.00 0.00 C ATOM 245 OD1 ASP A 20 6.790 -2.343 -11.136 1.00 0.00 O ATOM 246 OD2 ASP A 20 8.481 -3.052 -9.925 1.00 0.00 O ATOM 0 H ASP A 20 6.805 -3.524 -7.384 1.00 0.00 H new ATOM 0 HA ASP A 20 4.888 -2.764 -9.306 1.00 0.00 H new ATOM 0 HB2 ASP A 20 7.032 -4.899 -9.134 1.00 0.00 H new ATOM 0 HB3 ASP A 20 5.978 -4.798 -10.531 1.00 0.00 H new ATOM 251 N GLU A 21 4.463 -5.759 -7.956 1.00 0.00 N ATOM 252 CA GLU A 21 3.484 -6.819 -7.745 1.00 0.00 C ATOM 253 C GLU A 21 2.130 -6.237 -7.350 1.00 0.00 C ATOM 254 O GLU A 21 1.140 -6.396 -8.065 1.00 0.00 O ATOM 255 CB GLU A 21 3.970 -7.786 -6.665 1.00 0.00 C ATOM 256 CG GLU A 21 5.253 -8.514 -7.032 1.00 0.00 C ATOM 257 CD GLU A 21 5.133 -10.018 -6.880 1.00 0.00 C ATOM 258 OE1 GLU A 21 5.212 -10.506 -5.733 1.00 0.00 O ATOM 259 OE2 GLU A 21 4.963 -10.708 -7.907 1.00 0.00 O ATOM 0 H GLU A 21 5.359 -5.914 -7.493 1.00 0.00 H new ATOM 0 HA GLU A 21 3.368 -7.363 -8.683 1.00 0.00 H new ATOM 0 HB2 GLU A 21 4.128 -7.233 -5.739 1.00 0.00 H new ATOM 0 HB3 GLU A 21 3.189 -8.520 -6.469 1.00 0.00 H new ATOM 0 HG2 GLU A 21 5.519 -8.277 -8.062 1.00 0.00 H new ATOM 0 HG3 GLU A 21 6.065 -8.152 -6.401 1.00 0.00 H new ATOM 266 N LEU A 22 2.093 -5.564 -6.205 1.00 0.00 N ATOM 267 CA LEU A 22 0.861 -4.957 -5.712 1.00 0.00 C ATOM 268 C LEU A 22 0.314 -3.945 -6.713 1.00 0.00 C ATOM 269 O LEU A 22 -0.884 -3.919 -6.993 1.00 0.00 O ATOM 270 CB LEU A 22 1.107 -4.278 -4.365 1.00 0.00 C ATOM 271 CG LEU A 22 1.751 -5.146 -3.282 1.00 0.00 C ATOM 272 CD1 LEU A 22 2.785 -4.348 -2.504 1.00 0.00 C ATOM 273 CD2 LEU A 22 0.691 -5.705 -2.346 1.00 0.00 C ATOM 0 H LEU A 22 2.902 -5.425 -5.600 1.00 0.00 H new ATOM 0 HA LEU A 22 0.122 -5.748 -5.583 1.00 0.00 H new ATOM 0 HB2 LEU A 22 1.742 -3.408 -4.530 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.153 -3.909 -3.987 1.00 0.00 H new ATOM 0 HG LEU A 22 2.256 -5.982 -3.766 1.00 0.00 H new ATOM 0 HD11 LEU A 22 3.233 -4.981 -1.738 1.00 0.00 H new ATOM 0 HD12 LEU A 22 3.561 -3.998 -3.184 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.304 -3.492 -2.031 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.168 -6.320 -1.582 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.157 -4.883 -1.869 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.012 -6.313 -2.915 1.00 0.00 H new ATOM 285 N ARG A 23 1.201 -3.114 -7.251 1.00 0.00 N ATOM 286 CA ARG A 23 0.808 -2.100 -8.222 1.00 0.00 C ATOM 287 C ARG A 23 0.074 -2.732 -9.402 1.00 0.00 C ATOM 288 O ARG A 23 -0.781 -2.101 -10.022 1.00 0.00 O ATOM 289 CB ARG A 23 2.037 -1.338 -8.721 1.00 0.00 C ATOM 290 CG ARG A 23 1.702 -0.204 -9.677 1.00 0.00 C ATOM 291 CD ARG A 23 2.694 0.942 -9.550 1.00 0.00 C ATOM 292 NE ARG A 23 2.908 1.625 -10.823 1.00 0.00 N ATOM 293 CZ ARG A 23 3.578 1.092 -11.839 1.00 0.00 C ATOM 294 NH1 ARG A 23 4.095 -0.125 -11.731 1.00 0.00 N ATOM 295 NH2 ARG A 23 3.730 1.776 -12.966 1.00 0.00 N ATOM 0 H ARG A 23 2.197 -3.123 -7.031 1.00 0.00 H new ATOM 0 HA ARG A 23 0.132 -1.402 -7.728 1.00 0.00 H new ATOM 0 HB2 ARG A 23 2.576 -0.933 -7.864 1.00 0.00 H new ATOM 0 HB3 ARG A 23 2.710 -2.036 -9.220 1.00 0.00 H new ATOM 0 HG2 ARG A 23 1.704 -0.577 -10.701 1.00 0.00 H new ATOM 0 HG3 ARG A 23 0.695 0.160 -9.473 1.00 0.00 H new ATOM 0 HD2 ARG A 23 2.330 1.657 -8.812 1.00 0.00 H new ATOM 0 HD3 ARG A 23 3.645 0.559 -9.180 1.00 0.00 H new ATOM 0 HE ARG A 23 2.522 2.562 -10.938 1.00 0.00 H new ATOM 0 HH11 ARG A 23 3.979 -0.654 -10.867 1.00 0.00 H new ATOM 0 HH12 ARG A 23 4.609 -0.532 -12.512 1.00 0.00 H new ATOM 0 HH21 ARG A 23 3.332 2.711 -13.052 1.00 0.00 H new ATOM 0 HH22 ARG A 23 4.244 1.366 -13.746 1.00 0.00 H new ATOM 309 N GLU A 24 0.415 -3.981 -9.703 1.00 0.00 N ATOM 310 CA GLU A 24 -0.211 -4.697 -10.809 1.00 0.00 C ATOM 311 C GLU A 24 -1.385 -5.538 -10.317 1.00 0.00 C ATOM 312 O GLU A 24 -2.279 -5.888 -11.088 1.00 0.00 O ATOM 313 CB GLU A 24 0.813 -5.592 -11.510 1.00 0.00 C ATOM 314 CG GLU A 24 1.230 -5.082 -12.879 1.00 0.00 C ATOM 315 CD GLU A 24 2.481 -5.764 -13.400 1.00 0.00 C ATOM 316 OE1 GLU A 24 2.720 -6.931 -13.026 1.00 0.00 O ATOM 317 OE2 GLU A 24 3.221 -5.129 -14.181 1.00 0.00 O ATOM 0 H GLU A 24 1.120 -4.517 -9.198 1.00 0.00 H new ATOM 0 HA GLU A 24 -0.586 -3.961 -11.519 1.00 0.00 H new ATOM 0 HB2 GLU A 24 1.698 -5.681 -10.879 1.00 0.00 H new ATOM 0 HB3 GLU A 24 0.396 -6.593 -11.616 1.00 0.00 H new ATOM 0 HG2 GLU A 24 0.414 -5.239 -13.585 1.00 0.00 H new ATOM 0 HG3 GLU A 24 1.402 -4.007 -12.825 1.00 0.00 H new ATOM 324 N PHE A 25 -1.377 -5.858 -9.028 1.00 0.00 N ATOM 325 CA PHE A 25 -2.440 -6.660 -8.432 1.00 0.00 C ATOM 326 C PHE A 25 -3.723 -5.845 -8.296 1.00 0.00 C ATOM 327 O PHE A 25 -4.778 -6.240 -8.792 1.00 0.00 O ATOM 328 CB PHE A 25 -2.007 -7.183 -7.061 1.00 0.00 C ATOM 329 CG PHE A 25 -3.074 -7.967 -6.354 1.00 0.00 C ATOM 330 CD1 PHE A 25 -3.457 -9.216 -6.817 1.00 0.00 C ATOM 331 CD2 PHE A 25 -3.695 -7.457 -5.225 1.00 0.00 C ATOM 332 CE1 PHE A 25 -4.440 -9.939 -6.169 1.00 0.00 C ATOM 333 CE2 PHE A 25 -4.678 -8.176 -4.572 1.00 0.00 C ATOM 334 CZ PHE A 25 -5.050 -9.419 -5.044 1.00 0.00 C ATOM 0 H PHE A 25 -0.646 -5.575 -8.375 1.00 0.00 H new ATOM 0 HA PHE A 25 -2.635 -7.507 -9.090 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -1.126 -7.813 -7.183 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -1.712 -6.340 -6.436 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -2.982 -9.629 -7.694 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -3.407 -6.486 -4.851 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -4.731 -10.910 -6.542 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -5.155 -7.766 -3.694 1.00 0.00 H new ATOM 0 HZ PHE A 25 -5.817 -9.984 -4.534 1.00 0.00 H new ATOM 344 N PHE A 26 -3.625 -4.706 -7.618 1.00 0.00 N ATOM 345 CA PHE A 26 -4.777 -3.835 -7.414 1.00 0.00 C ATOM 346 C PHE A 26 -5.153 -3.119 -8.707 1.00 0.00 C ATOM 347 O PHE A 26 -6.157 -2.409 -8.767 1.00 0.00 O ATOM 348 CB PHE A 26 -4.480 -2.809 -6.318 1.00 0.00 C ATOM 349 CG PHE A 26 -4.451 -3.399 -4.937 1.00 0.00 C ATOM 350 CD1 PHE A 26 -5.626 -3.766 -4.302 1.00 0.00 C ATOM 351 CD2 PHE A 26 -3.248 -3.587 -4.275 1.00 0.00 C ATOM 352 CE1 PHE A 26 -5.602 -4.308 -3.031 1.00 0.00 C ATOM 353 CE2 PHE A 26 -3.218 -4.130 -3.004 1.00 0.00 C ATOM 354 CZ PHE A 26 -4.397 -4.491 -2.381 1.00 0.00 C ATOM 0 H PHE A 26 -2.759 -4.365 -7.200 1.00 0.00 H new ATOM 0 HA PHE A 26 -5.619 -4.454 -7.104 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -3.519 -2.338 -6.523 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -5.234 -2.023 -6.353 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -6.571 -3.627 -4.806 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -2.324 -3.306 -4.758 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -6.525 -4.588 -2.546 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -2.274 -4.272 -2.499 1.00 0.00 H new ATOM 0 HZ PHE A 26 -4.377 -4.915 -1.388 1.00 0.00 H new ATOM 364 N SER A 27 -4.340 -3.311 -9.742 1.00 0.00 N ATOM 365 CA SER A 27 -4.585 -2.681 -11.034 1.00 0.00 C ATOM 366 C SER A 27 -5.855 -3.232 -11.675 1.00 0.00 C ATOM 367 O SER A 27 -6.532 -2.537 -12.431 1.00 0.00 O ATOM 368 CB SER A 27 -3.392 -2.901 -11.966 1.00 0.00 C ATOM 369 OG SER A 27 -3.478 -4.156 -12.618 1.00 0.00 O ATOM 0 H SER A 27 -3.506 -3.898 -9.710 1.00 0.00 H new ATOM 0 HA SER A 27 -4.717 -1.611 -10.870 1.00 0.00 H new ATOM 0 HB2 SER A 27 -3.355 -2.104 -12.709 1.00 0.00 H new ATOM 0 HB3 SER A 27 -2.465 -2.848 -11.394 1.00 0.00 H new ATOM 0 HG SER A 27 -3.092 -4.850 -12.044 1.00 0.00 H new ATOM 375 N GLN A 28 -6.169 -4.487 -11.368 1.00 0.00 N ATOM 376 CA GLN A 28 -7.356 -5.132 -11.915 1.00 0.00 C ATOM 377 C GLN A 28 -8.621 -4.599 -11.250 1.00 0.00 C ATOM 378 O GLN A 28 -9.661 -4.459 -11.894 1.00 0.00 O ATOM 379 CB GLN A 28 -7.269 -6.648 -11.730 1.00 0.00 C ATOM 380 CG GLN A 28 -7.595 -7.109 -10.319 1.00 0.00 C ATOM 381 CD GLN A 28 -7.077 -8.504 -10.026 1.00 0.00 C ATOM 382 OE1 GLN A 28 -7.529 -9.483 -10.621 1.00 0.00 O ATOM 383 NE2 GLN A 28 -6.125 -8.601 -9.107 1.00 0.00 N ATOM 0 H GLN A 28 -5.618 -5.076 -10.744 1.00 0.00 H new ATOM 0 HA GLN A 28 -7.404 -4.905 -12.980 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -7.953 -7.131 -12.428 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -6.263 -6.980 -11.988 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -7.165 -6.408 -9.603 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -8.675 -7.089 -10.175 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -5.780 -7.763 -8.639 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -5.738 -9.514 -8.868 1.00 0.00 H new ATOM 392 N TYR A 29 -8.525 -4.303 -9.959 1.00 0.00 N ATOM 393 CA TYR A 29 -9.661 -3.788 -9.206 1.00 0.00 C ATOM 394 C TYR A 29 -10.057 -2.399 -9.699 1.00 0.00 C ATOM 395 O TYR A 29 -11.217 -2.151 -10.029 1.00 0.00 O ATOM 396 CB TYR A 29 -9.331 -3.735 -7.713 1.00 0.00 C ATOM 397 CG TYR A 29 -9.259 -5.098 -7.061 1.00 0.00 C ATOM 398 CD1 TYR A 29 -8.107 -5.869 -7.142 1.00 0.00 C ATOM 399 CD2 TYR A 29 -10.345 -5.613 -6.363 1.00 0.00 C ATOM 400 CE1 TYR A 29 -8.037 -7.114 -6.548 1.00 0.00 C ATOM 401 CE2 TYR A 29 -10.284 -6.856 -5.764 1.00 0.00 C ATOM 402 CZ TYR A 29 -9.129 -7.604 -5.860 1.00 0.00 C ATOM 403 OH TYR A 29 -9.064 -8.843 -5.266 1.00 0.00 O ATOM 0 H TYR A 29 -7.671 -4.411 -9.412 1.00 0.00 H new ATOM 0 HA TYR A 29 -10.502 -4.464 -9.361 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -8.377 -3.226 -7.578 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -10.086 -3.137 -7.203 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -7.251 -5.488 -7.679 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -11.252 -5.031 -6.288 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -7.133 -7.701 -6.621 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -11.136 -7.240 -5.223 1.00 0.00 H new ATOM 0 HH TYR A 29 -8.140 -9.030 -4.999 1.00 0.00 H new ATOM 413 N GLY A 30 -9.084 -1.496 -9.747 1.00 0.00 N ATOM 414 CA GLY A 30 -9.348 -0.142 -10.202 1.00 0.00 C ATOM 415 C GLY A 30 -8.126 0.514 -10.811 1.00 0.00 C ATOM 416 O GLY A 30 -7.414 -0.100 -11.607 1.00 0.00 O ATOM 0 H GLY A 30 -8.117 -1.677 -9.479 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -10.152 -0.160 -10.938 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -9.698 0.458 -9.362 1.00 0.00 H new ATOM 420 N ASP A 31 -7.881 1.766 -10.440 1.00 0.00 N ATOM 421 CA ASP A 31 -6.736 2.507 -10.956 1.00 0.00 C ATOM 422 C ASP A 31 -5.802 2.921 -9.824 1.00 0.00 C ATOM 423 O ASP A 31 -6.002 3.955 -9.185 1.00 0.00 O ATOM 424 CB ASP A 31 -7.206 3.744 -11.723 1.00 0.00 C ATOM 425 CG ASP A 31 -6.080 4.417 -12.481 1.00 0.00 C ATOM 426 OD1 ASP A 31 -4.987 4.583 -11.898 1.00 0.00 O ATOM 427 OD2 ASP A 31 -6.289 4.780 -13.658 1.00 0.00 O ATOM 0 H ASP A 31 -8.460 2.289 -9.783 1.00 0.00 H new ATOM 0 HA ASP A 31 -6.188 1.854 -11.635 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -7.991 3.457 -12.423 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -7.646 4.456 -11.024 1.00 0.00 H new ATOM 432 N VAL A 32 -4.781 2.106 -9.578 1.00 0.00 N ATOM 433 CA VAL A 32 -3.815 2.387 -8.522 1.00 0.00 C ATOM 434 C VAL A 32 -2.787 3.415 -8.978 1.00 0.00 C ATOM 435 O VAL A 32 -1.883 3.103 -9.753 1.00 0.00 O ATOM 436 CB VAL A 32 -3.083 1.107 -8.076 1.00 0.00 C ATOM 437 CG1 VAL A 32 -2.695 0.266 -9.282 1.00 0.00 C ATOM 438 CG2 VAL A 32 -1.858 1.458 -7.244 1.00 0.00 C ATOM 0 H VAL A 32 -4.601 1.246 -10.096 1.00 0.00 H new ATOM 0 HA VAL A 32 -4.376 2.788 -7.678 1.00 0.00 H new ATOM 0 HB VAL A 32 -3.760 0.519 -7.456 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -2.179 -0.634 -8.947 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -3.592 -0.014 -9.834 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -2.035 0.842 -9.930 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -1.352 0.543 -6.937 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -1.177 2.067 -7.838 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -2.166 2.016 -6.360 1.00 0.00 H new ATOM 448 N MET A 33 -2.930 4.644 -8.491 1.00 0.00 N ATOM 449 CA MET A 33 -2.011 5.719 -8.847 1.00 0.00 C ATOM 450 C MET A 33 -0.562 5.277 -8.670 1.00 0.00 C ATOM 451 O MET A 33 0.267 5.464 -9.561 1.00 0.00 O ATOM 452 CB MET A 33 -2.287 6.959 -7.994 1.00 0.00 C ATOM 453 CG MET A 33 -3.201 7.969 -8.668 1.00 0.00 C ATOM 454 SD MET A 33 -2.290 9.221 -9.592 1.00 0.00 S ATOM 455 CE MET A 33 -2.062 10.473 -8.333 1.00 0.00 C ATOM 0 H MET A 33 -3.673 4.920 -7.849 1.00 0.00 H new ATOM 0 HA MET A 33 -2.171 5.967 -9.896 1.00 0.00 H new ATOM 0 HB2 MET A 33 -2.736 6.648 -7.050 1.00 0.00 H new ATOM 0 HB3 MET A 33 -1.340 7.442 -7.753 1.00 0.00 H new ATOM 0 HG2 MET A 33 -3.879 7.446 -9.343 1.00 0.00 H new ATOM 0 HG3 MET A 33 -3.817 8.457 -7.913 1.00 0.00 H new ATOM 0 HE1 MET A 33 -1.512 11.315 -8.753 1.00 0.00 H new ATOM 0 HE2 MET A 33 -3.035 10.815 -7.979 1.00 0.00 H new ATOM 0 HE3 MET A 33 -1.500 10.052 -7.499 1.00 0.00 H new ATOM 465 N ASP A 34 -0.265 4.691 -7.516 1.00 0.00 N ATOM 466 CA ASP A 34 1.085 4.222 -7.222 1.00 0.00 C ATOM 467 C ASP A 34 1.109 3.412 -5.930 1.00 0.00 C ATOM 468 O ASP A 34 0.128 3.378 -5.187 1.00 0.00 O ATOM 469 CB ASP A 34 2.047 5.406 -7.114 1.00 0.00 C ATOM 470 CG ASP A 34 3.373 5.140 -7.802 1.00 0.00 C ATOM 471 OD1 ASP A 34 3.935 4.042 -7.602 1.00 0.00 O ATOM 472 OD2 ASP A 34 3.846 6.027 -8.540 1.00 0.00 O ATOM 0 H ASP A 34 -0.940 4.529 -6.769 1.00 0.00 H new ATOM 0 HA ASP A 34 1.405 3.577 -8.040 1.00 0.00 H new ATOM 0 HB2 ASP A 34 1.583 6.289 -7.554 1.00 0.00 H new ATOM 0 HB3 ASP A 34 2.225 5.631 -6.062 1.00 0.00 H new ATOM 477 N VAL A 35 2.238 2.760 -5.667 1.00 0.00 N ATOM 478 CA VAL A 35 2.390 1.949 -4.465 1.00 0.00 C ATOM 479 C VAL A 35 3.755 2.170 -3.823 1.00 0.00 C ATOM 480 O VAL A 35 4.788 1.835 -4.404 1.00 0.00 O ATOM 481 CB VAL A 35 2.216 0.450 -4.773 1.00 0.00 C ATOM 482 CG1 VAL A 35 2.658 -0.393 -3.586 1.00 0.00 C ATOM 483 CG2 VAL A 35 0.772 0.148 -5.143 1.00 0.00 C ATOM 0 H VAL A 35 3.060 2.778 -6.270 1.00 0.00 H new ATOM 0 HA VAL A 35 1.610 2.262 -3.771 1.00 0.00 H new ATOM 0 HB VAL A 35 2.847 0.195 -5.625 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.528 -1.449 -3.821 1.00 0.00 H new ATOM 0 HG12 VAL A 35 3.708 -0.196 -3.371 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.055 -0.139 -2.714 1.00 0.00 H new ATOM 0 HG21 VAL A 35 0.666 -0.915 -5.358 1.00 0.00 H new ATOM 0 HG22 VAL A 35 0.120 0.417 -4.312 1.00 0.00 H new ATOM 0 HG23 VAL A 35 0.494 0.726 -6.025 1.00 0.00 H new ATOM 493 N PHE A 36 3.753 2.734 -2.620 1.00 0.00 N ATOM 494 CA PHE A 36 4.992 3.001 -1.898 1.00 0.00 C ATOM 495 C PHE A 36 5.051 2.195 -0.603 1.00 0.00 C ATOM 496 O PHE A 36 4.019 1.811 -0.051 1.00 0.00 O ATOM 497 CB PHE A 36 5.116 4.494 -1.589 1.00 0.00 C ATOM 498 CG PHE A 36 6.169 4.808 -0.565 1.00 0.00 C ATOM 499 CD1 PHE A 36 7.512 4.635 -0.857 1.00 0.00 C ATOM 500 CD2 PHE A 36 5.814 5.278 0.689 1.00 0.00 C ATOM 501 CE1 PHE A 36 8.483 4.923 0.084 1.00 0.00 C ATOM 502 CE2 PHE A 36 6.782 5.568 1.634 1.00 0.00 C ATOM 503 CZ PHE A 36 8.117 5.390 1.331 1.00 0.00 C ATOM 0 H PHE A 36 2.907 3.015 -2.124 1.00 0.00 H new ATOM 0 HA PHE A 36 5.825 2.698 -2.532 1.00 0.00 H new ATOM 0 HB2 PHE A 36 5.345 5.030 -2.510 1.00 0.00 H new ATOM 0 HB3 PHE A 36 4.154 4.865 -1.235 1.00 0.00 H new ATOM 0 HD1 PHE A 36 7.804 4.271 -1.831 1.00 0.00 H new ATOM 0 HD2 PHE A 36 4.771 5.419 0.931 1.00 0.00 H new ATOM 0 HE1 PHE A 36 9.527 4.783 -0.156 1.00 0.00 H new ATOM 0 HE2 PHE A 36 6.493 5.934 2.608 1.00 0.00 H new ATOM 0 HZ PHE A 36 8.874 5.616 2.068 1.00 0.00 H new ATOM 513 N ILE A 37 6.264 1.943 -0.125 1.00 0.00 N ATOM 514 CA ILE A 37 6.458 1.184 1.104 1.00 0.00 C ATOM 515 C ILE A 37 7.180 2.017 2.157 1.00 0.00 C ATOM 516 O ILE A 37 8.407 2.115 2.173 1.00 0.00 O ATOM 517 CB ILE A 37 7.259 -0.107 0.849 1.00 0.00 C ATOM 518 CG1 ILE A 37 6.495 -1.027 -0.104 1.00 0.00 C ATOM 519 CG2 ILE A 37 7.551 -0.817 2.162 1.00 0.00 C ATOM 520 CD1 ILE A 37 7.381 -2.014 -0.832 1.00 0.00 C ATOM 0 H ILE A 37 7.128 2.253 -0.570 1.00 0.00 H new ATOM 0 HA ILE A 37 5.466 0.920 1.471 1.00 0.00 H new ATOM 0 HB ILE A 37 8.209 0.157 0.384 1.00 0.00 H new ATOM 0 HG12 ILE A 37 5.741 -1.576 0.460 1.00 0.00 H new ATOM 0 HG13 ILE A 37 5.965 -0.418 -0.836 1.00 0.00 H new ATOM 0 HG21 ILE A 37 8.117 -1.727 1.965 1.00 0.00 H new ATOM 0 HG22 ILE A 37 8.133 -0.160 2.809 1.00 0.00 H new ATOM 0 HG23 ILE A 37 6.613 -1.073 2.654 1.00 0.00 H new ATOM 0 HD11 ILE A 37 6.772 -2.633 -1.490 1.00 0.00 H new ATOM 0 HD12 ILE A 37 8.119 -1.473 -1.424 1.00 0.00 H new ATOM 0 HD13 ILE A 37 7.892 -2.648 -0.107 1.00 0.00 H new ATOM 532 N PRO A 38 6.402 2.634 3.059 1.00 0.00 N ATOM 533 CA PRO A 38 6.946 3.469 4.134 1.00 0.00 C ATOM 534 C PRO A 38 7.686 2.650 5.187 1.00 0.00 C ATOM 535 O PRO A 38 7.147 1.686 5.730 1.00 0.00 O ATOM 536 CB PRO A 38 5.701 4.120 4.742 1.00 0.00 C ATOM 537 CG PRO A 38 4.590 3.179 4.427 1.00 0.00 C ATOM 538 CD PRO A 38 4.932 2.563 3.099 1.00 0.00 C ATOM 0 HA PRO A 38 7.680 4.184 3.762 1.00 0.00 H new ATOM 0 HB2 PRO A 38 5.811 4.257 5.818 1.00 0.00 H new ATOM 0 HB3 PRO A 38 5.519 5.105 4.312 1.00 0.00 H new ATOM 0 HG2 PRO A 38 4.495 2.415 5.199 1.00 0.00 H new ATOM 0 HG3 PRO A 38 3.636 3.704 4.379 1.00 0.00 H new ATOM 0 HD2 PRO A 38 4.577 1.535 3.030 1.00 0.00 H new ATOM 0 HD3 PRO A 38 4.480 3.112 2.273 1.00 0.00 H new ATOM 546 N LYS A 39 8.924 3.040 5.469 1.00 0.00 N ATOM 547 CA LYS A 39 9.739 2.344 6.458 1.00 0.00 C ATOM 548 C LYS A 39 9.570 2.967 7.840 1.00 0.00 C ATOM 549 O LYS A 39 9.227 4.142 7.979 1.00 0.00 O ATOM 550 CB LYS A 39 11.213 2.376 6.049 1.00 0.00 C ATOM 551 CG LYS A 39 11.546 1.438 4.902 1.00 0.00 C ATOM 552 CD LYS A 39 12.867 0.723 5.132 1.00 0.00 C ATOM 553 CE LYS A 39 13.526 0.330 3.819 1.00 0.00 C ATOM 554 NZ LYS A 39 14.645 1.246 3.464 1.00 0.00 N ATOM 0 H LYS A 39 9.385 3.835 5.027 1.00 0.00 H new ATOM 0 HA LYS A 39 9.403 1.308 6.503 1.00 0.00 H new ATOM 0 HB2 LYS A 39 11.480 3.394 5.765 1.00 0.00 H new ATOM 0 HB3 LYS A 39 11.826 2.114 6.911 1.00 0.00 H new ATOM 0 HG2 LYS A 39 10.749 0.704 4.788 1.00 0.00 H new ATOM 0 HG3 LYS A 39 11.594 2.003 3.971 1.00 0.00 H new ATOM 0 HD2 LYS A 39 13.538 1.370 5.697 1.00 0.00 H new ATOM 0 HD3 LYS A 39 12.699 -0.168 5.737 1.00 0.00 H new ATOM 0 HE2 LYS A 39 13.902 -0.691 3.892 1.00 0.00 H new ATOM 0 HE3 LYS A 39 12.782 0.339 3.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 15.068 0.944 2.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 14.283 2.216 3.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 15.367 1.218 4.212 1.00 0.00 H new ATOM 568 N PRO A 40 9.818 2.167 8.886 1.00 0.00 N ATOM 569 CA PRO A 40 10.226 0.767 8.733 1.00 0.00 C ATOM 570 C PRO A 40 9.099 -0.111 8.203 1.00 0.00 C ATOM 571 O PRO A 40 7.996 -0.120 8.750 1.00 0.00 O ATOM 572 CB PRO A 40 10.606 0.351 10.156 1.00 0.00 C ATOM 573 CG PRO A 40 9.821 1.260 11.039 1.00 0.00 C ATOM 574 CD PRO A 40 9.718 2.566 10.300 1.00 0.00 C ATOM 0 HA PRO A 40 11.035 0.655 8.011 1.00 0.00 H new ATOM 0 HB2 PRO A 40 10.358 -0.694 10.343 1.00 0.00 H new ATOM 0 HB3 PRO A 40 11.677 0.460 10.328 1.00 0.00 H new ATOM 0 HG2 PRO A 40 8.833 0.848 11.244 1.00 0.00 H new ATOM 0 HG3 PRO A 40 10.316 1.394 12.001 1.00 0.00 H new ATOM 0 HD2 PRO A 40 8.776 3.073 10.509 1.00 0.00 H new ATOM 0 HD3 PRO A 40 10.518 3.251 10.582 1.00 0.00 H new ATOM 582 N PHE A 41 9.382 -0.849 7.135 1.00 0.00 N ATOM 583 CA PHE A 41 8.391 -1.732 6.530 1.00 0.00 C ATOM 584 C PHE A 41 8.118 -2.937 7.425 1.00 0.00 C ATOM 585 O PHE A 41 8.967 -3.817 7.575 1.00 0.00 O ATOM 586 CB PHE A 41 8.867 -2.201 5.154 1.00 0.00 C ATOM 587 CG PHE A 41 8.279 -3.517 4.733 1.00 0.00 C ATOM 588 CD1 PHE A 41 6.918 -3.642 4.507 1.00 0.00 C ATOM 589 CD2 PHE A 41 9.087 -4.629 4.563 1.00 0.00 C ATOM 590 CE1 PHE A 41 6.374 -4.853 4.121 1.00 0.00 C ATOM 591 CE2 PHE A 41 8.550 -5.843 4.176 1.00 0.00 C ATOM 592 CZ PHE A 41 7.191 -5.954 3.954 1.00 0.00 C ATOM 0 H PHE A 41 10.290 -0.853 6.670 1.00 0.00 H new ATOM 0 HA PHE A 41 7.464 -1.171 6.414 1.00 0.00 H new ATOM 0 HB2 PHE A 41 8.611 -1.444 4.413 1.00 0.00 H new ATOM 0 HB3 PHE A 41 9.954 -2.284 5.163 1.00 0.00 H new ATOM 0 HD1 PHE A 41 6.275 -2.784 4.634 1.00 0.00 H new ATOM 0 HD2 PHE A 41 10.150 -4.547 4.735 1.00 0.00 H new ATOM 0 HE1 PHE A 41 5.311 -4.938 3.950 1.00 0.00 H new ATOM 0 HE2 PHE A 41 9.191 -6.702 4.048 1.00 0.00 H new ATOM 0 HZ PHE A 41 6.768 -6.900 3.650 1.00 0.00 H new ATOM 602 N ARG A 42 6.930 -2.970 8.017 1.00 0.00 N ATOM 603 CA ARG A 42 6.545 -4.066 8.898 1.00 0.00 C ATOM 604 C ARG A 42 5.310 -4.787 8.364 1.00 0.00 C ATOM 605 O ARG A 42 4.189 -4.526 8.801 1.00 0.00 O ATOM 606 CB ARG A 42 6.271 -3.542 10.310 1.00 0.00 C ATOM 607 CG ARG A 42 7.507 -3.501 11.194 1.00 0.00 C ATOM 608 CD ARG A 42 7.165 -3.062 12.609 1.00 0.00 C ATOM 609 NE ARG A 42 6.245 -3.988 13.263 1.00 0.00 N ATOM 610 CZ ARG A 42 4.925 -3.930 13.129 1.00 0.00 C ATOM 611 NH1 ARG A 42 4.372 -2.996 12.368 1.00 0.00 N ATOM 612 NH2 ARG A 42 4.154 -4.810 13.756 1.00 0.00 N ATOM 0 H ARG A 42 6.216 -2.250 7.903 1.00 0.00 H new ATOM 0 HA ARG A 42 7.371 -4.776 8.934 1.00 0.00 H new ATOM 0 HB2 ARG A 42 5.850 -2.539 10.241 1.00 0.00 H new ATOM 0 HB3 ARG A 42 5.517 -4.172 10.782 1.00 0.00 H new ATOM 0 HG2 ARG A 42 7.970 -4.487 11.220 1.00 0.00 H new ATOM 0 HG3 ARG A 42 8.239 -2.816 10.766 1.00 0.00 H new ATOM 0 HD2 ARG A 42 8.080 -2.986 13.196 1.00 0.00 H new ATOM 0 HD3 ARG A 42 6.720 -2.067 12.582 1.00 0.00 H new ATOM 0 HE ARG A 42 6.638 -4.720 13.855 1.00 0.00 H new ATOM 0 HH11 ARG A 42 4.961 -2.319 11.883 1.00 0.00 H new ATOM 0 HH12 ARG A 42 3.358 -2.955 12.267 1.00 0.00 H new ATOM 0 HH21 ARG A 42 4.575 -5.531 14.341 1.00 0.00 H new ATOM 0 HH22 ARG A 42 3.140 -4.765 13.653 1.00 0.00 H new ATOM 626 N ALA A 43 5.525 -5.692 7.415 1.00 0.00 N ATOM 627 CA ALA A 43 4.430 -6.450 6.822 1.00 0.00 C ATOM 628 C ALA A 43 3.258 -5.539 6.471 1.00 0.00 C ATOM 629 O ALA A 43 2.097 -5.941 6.566 1.00 0.00 O ATOM 630 CB ALA A 43 3.980 -7.554 7.767 1.00 0.00 C ATOM 0 H ALA A 43 6.446 -5.918 7.041 1.00 0.00 H new ATOM 0 HA ALA A 43 4.792 -6.903 5.899 1.00 0.00 H new ATOM 0 HB1 ALA A 43 3.162 -8.112 7.311 1.00 0.00 H new ATOM 0 HB2 ALA A 43 4.814 -8.228 7.963 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.641 -7.114 8.705 1.00 0.00 H new ATOM 636 N PHE A 44 3.568 -4.313 6.067 1.00 0.00 N ATOM 637 CA PHE A 44 2.539 -3.344 5.705 1.00 0.00 C ATOM 638 C PHE A 44 3.088 -2.309 4.727 1.00 0.00 C ATOM 639 O PHE A 44 4.225 -1.858 4.858 1.00 0.00 O ATOM 640 CB PHE A 44 2.002 -2.647 6.955 1.00 0.00 C ATOM 641 CG PHE A 44 2.748 -1.392 7.311 1.00 0.00 C ATOM 642 CD1 PHE A 44 3.980 -1.459 7.941 1.00 0.00 C ATOM 643 CD2 PHE A 44 2.219 -0.148 7.013 1.00 0.00 C ATOM 644 CE1 PHE A 44 4.671 -0.307 8.269 1.00 0.00 C ATOM 645 CE2 PHE A 44 2.905 1.008 7.339 1.00 0.00 C ATOM 646 CZ PHE A 44 4.132 0.927 7.968 1.00 0.00 C ATOM 0 H PHE A 44 4.523 -3.966 5.982 1.00 0.00 H new ATOM 0 HA PHE A 44 1.724 -3.881 5.220 1.00 0.00 H new ATOM 0 HB2 PHE A 44 0.951 -2.404 6.802 1.00 0.00 H new ATOM 0 HB3 PHE A 44 2.050 -3.339 7.796 1.00 0.00 H new ATOM 0 HD1 PHE A 44 4.406 -2.423 8.179 1.00 0.00 H new ATOM 0 HD2 PHE A 44 1.260 -0.079 6.521 1.00 0.00 H new ATOM 0 HE1 PHE A 44 5.631 -0.373 8.760 1.00 0.00 H new ATOM 0 HE2 PHE A 44 2.482 1.973 7.102 1.00 0.00 H new ATOM 0 HZ PHE A 44 4.669 1.828 8.224 1.00 0.00 H new ATOM 656 N ALA A 45 2.270 -1.937 3.747 1.00 0.00 N ATOM 657 CA ALA A 45 2.672 -0.955 2.749 1.00 0.00 C ATOM 658 C ALA A 45 1.582 0.090 2.538 1.00 0.00 C ATOM 659 O ALA A 45 0.444 -0.089 2.971 1.00 0.00 O ATOM 660 CB ALA A 45 3.006 -1.645 1.434 1.00 0.00 C ATOM 0 H ALA A 45 1.325 -2.301 3.624 1.00 0.00 H new ATOM 0 HA ALA A 45 3.563 -0.445 3.115 1.00 0.00 H new ATOM 0 HB1 ALA A 45 3.305 -0.899 0.697 1.00 0.00 H new ATOM 0 HB2 ALA A 45 3.824 -2.349 1.590 1.00 0.00 H new ATOM 0 HB3 ALA A 45 2.129 -2.182 1.072 1.00 0.00 H new ATOM 666 N PHE A 46 1.938 1.183 1.870 1.00 0.00 N ATOM 667 CA PHE A 46 0.990 2.259 1.603 1.00 0.00 C ATOM 668 C PHE A 46 0.654 2.331 0.115 1.00 0.00 C ATOM 669 O PHE A 46 1.506 2.661 -0.709 1.00 0.00 O ATOM 670 CB PHE A 46 1.559 3.598 2.074 1.00 0.00 C ATOM 671 CG PHE A 46 0.620 4.753 1.874 1.00 0.00 C ATOM 672 CD1 PHE A 46 -0.539 4.860 2.626 1.00 0.00 C ATOM 673 CD2 PHE A 46 0.895 5.731 0.933 1.00 0.00 C ATOM 674 CE1 PHE A 46 -1.405 5.921 2.445 1.00 0.00 C ATOM 675 CE2 PHE A 46 0.033 6.795 0.747 1.00 0.00 C ATOM 676 CZ PHE A 46 -1.119 6.890 1.503 1.00 0.00 C ATOM 0 H PHE A 46 2.876 1.347 1.504 1.00 0.00 H new ATOM 0 HA PHE A 46 0.074 2.048 2.155 1.00 0.00 H new ATOM 0 HB2 PHE A 46 1.811 3.524 3.132 1.00 0.00 H new ATOM 0 HB3 PHE A 46 2.487 3.798 1.538 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -0.768 4.104 3.363 1.00 0.00 H new ATOM 0 HD2 PHE A 46 1.793 5.661 0.338 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -2.304 5.993 3.039 1.00 0.00 H new ATOM 0 HE2 PHE A 46 0.260 7.552 0.011 1.00 0.00 H new ATOM 0 HZ PHE A 46 -1.795 7.720 1.358 1.00 0.00 H new ATOM 686 N VAL A 47 -0.594 2.021 -0.218 1.00 0.00 N ATOM 687 CA VAL A 47 -1.044 2.051 -1.605 1.00 0.00 C ATOM 688 C VAL A 47 -1.977 3.231 -1.855 1.00 0.00 C ATOM 689 O VAL A 47 -2.824 3.555 -1.022 1.00 0.00 O ATOM 690 CB VAL A 47 -1.770 0.748 -1.989 1.00 0.00 C ATOM 691 CG1 VAL A 47 -2.181 0.776 -3.452 1.00 0.00 C ATOM 692 CG2 VAL A 47 -0.889 -0.458 -1.696 1.00 0.00 C ATOM 0 H VAL A 47 -1.312 1.746 0.453 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.153 2.158 -2.224 1.00 0.00 H new ATOM 0 HB VAL A 47 -2.674 0.665 -1.385 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -2.692 -0.153 -3.704 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -2.851 1.618 -3.626 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.294 0.883 -4.077 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -1.417 -1.370 -1.973 1.00 0.00 H new ATOM 0 HG22 VAL A 47 0.033 -0.383 -2.272 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -0.651 -0.485 -0.633 1.00 0.00 H new ATOM 702 N THR A 48 -1.816 3.872 -3.009 1.00 0.00 N ATOM 703 CA THR A 48 -2.643 5.016 -3.369 1.00 0.00 C ATOM 704 C THR A 48 -3.527 4.700 -4.569 1.00 0.00 C ATOM 705 O THR A 48 -3.074 4.105 -5.548 1.00 0.00 O ATOM 706 CB THR A 48 -1.781 6.252 -3.692 1.00 0.00 C ATOM 707 OG1 THR A 48 -0.867 6.505 -2.620 1.00 0.00 O ATOM 708 CG2 THR A 48 -2.655 7.476 -3.921 1.00 0.00 C ATOM 0 H THR A 48 -1.120 3.618 -3.710 1.00 0.00 H new ATOM 0 HA THR A 48 -3.272 5.235 -2.506 1.00 0.00 H new ATOM 0 HB THR A 48 -1.221 6.049 -4.605 1.00 0.00 H new ATOM 0 HG1 THR A 48 -0.322 7.291 -2.834 1.00 0.00 H new ATOM 0 HG21 THR A 48 -2.025 8.336 -4.147 1.00 0.00 H new ATOM 0 HG22 THR A 48 -3.329 7.290 -4.757 1.00 0.00 H new ATOM 0 HG23 THR A 48 -3.238 7.680 -3.023 1.00 0.00 H new ATOM 716 N PHE A 49 -4.791 5.102 -4.490 1.00 0.00 N ATOM 717 CA PHE A 49 -5.741 4.860 -5.570 1.00 0.00 C ATOM 718 C PHE A 49 -6.173 6.173 -6.217 1.00 0.00 C ATOM 719 O PHE A 49 -6.370 7.179 -5.534 1.00 0.00 O ATOM 720 CB PHE A 49 -6.966 4.109 -5.043 1.00 0.00 C ATOM 721 CG PHE A 49 -6.756 2.626 -4.931 1.00 0.00 C ATOM 722 CD1 PHE A 49 -6.689 1.835 -6.066 1.00 0.00 C ATOM 723 CD2 PHE A 49 -6.628 2.024 -3.689 1.00 0.00 C ATOM 724 CE1 PHE A 49 -6.497 0.470 -5.965 1.00 0.00 C ATOM 725 CE2 PHE A 49 -6.435 0.659 -3.583 1.00 0.00 C ATOM 726 CZ PHE A 49 -6.371 -0.119 -4.723 1.00 0.00 C ATOM 0 H PHE A 49 -5.182 5.597 -3.689 1.00 0.00 H new ATOM 0 HA PHE A 49 -5.247 4.248 -6.325 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -7.232 4.506 -4.063 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -7.811 4.300 -5.704 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -6.788 2.290 -7.041 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -6.680 2.627 -2.795 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -6.446 -0.136 -6.858 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -6.334 0.201 -2.610 1.00 0.00 H new ATOM 0 HZ PHE A 49 -6.223 -1.186 -4.643 1.00 0.00 H new ATOM 736 N ALA A 50 -6.321 6.155 -7.537 1.00 0.00 N ATOM 737 CA ALA A 50 -6.732 7.342 -8.276 1.00 0.00 C ATOM 738 C ALA A 50 -8.093 7.839 -7.803 1.00 0.00 C ATOM 739 O ALA A 50 -8.486 8.970 -8.090 1.00 0.00 O ATOM 740 CB ALA A 50 -6.765 7.049 -9.769 1.00 0.00 C ATOM 0 H ALA A 50 -6.162 5.331 -8.117 1.00 0.00 H new ATOM 0 HA ALA A 50 -6.001 8.128 -8.087 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -7.074 7.944 -10.309 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -5.772 6.748 -10.103 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -7.473 6.244 -9.966 1.00 0.00 H new ATOM 746 N ASP A 51 -8.810 6.987 -7.078 1.00 0.00 N ATOM 747 CA ASP A 51 -10.128 7.341 -6.565 1.00 0.00 C ATOM 748 C ASP A 51 -10.289 6.883 -5.118 1.00 0.00 C ATOM 749 O ASP A 51 -9.840 5.798 -4.747 1.00 0.00 O ATOM 750 CB ASP A 51 -11.221 6.718 -7.433 1.00 0.00 C ATOM 751 CG ASP A 51 -12.018 7.758 -8.196 1.00 0.00 C ATOM 752 OD1 ASP A 51 -13.012 8.269 -7.641 1.00 0.00 O ATOM 753 OD2 ASP A 51 -11.646 8.061 -9.349 1.00 0.00 O ATOM 0 H ASP A 51 -8.500 6.047 -6.833 1.00 0.00 H new ATOM 0 HA ASP A 51 -10.223 8.426 -6.597 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -10.768 6.022 -8.139 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -11.895 6.138 -6.803 1.00 0.00 H new ATOM 758 N ASP A 52 -10.929 7.718 -4.306 1.00 0.00 N ATOM 759 CA ASP A 52 -11.148 7.400 -2.901 1.00 0.00 C ATOM 760 C ASP A 52 -12.254 6.360 -2.745 1.00 0.00 C ATOM 761 O ASP A 52 -12.333 5.672 -1.728 1.00 0.00 O ATOM 762 CB ASP A 52 -11.506 8.664 -2.119 1.00 0.00 C ATOM 763 CG ASP A 52 -12.897 9.172 -2.444 1.00 0.00 C ATOM 764 OD1 ASP A 52 -13.243 9.228 -3.644 1.00 0.00 O ATOM 765 OD2 ASP A 52 -13.641 9.514 -1.501 1.00 0.00 O ATOM 0 H ASP A 52 -11.305 8.620 -4.598 1.00 0.00 H new ATOM 0 HA ASP A 52 -10.224 6.984 -2.500 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -11.438 8.458 -1.051 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -10.777 9.443 -2.340 1.00 0.00 H new ATOM 770 N GLN A 53 -13.106 6.253 -3.760 1.00 0.00 N ATOM 771 CA GLN A 53 -14.207 5.298 -3.734 1.00 0.00 C ATOM 772 C GLN A 53 -13.691 3.867 -3.835 1.00 0.00 C ATOM 773 O GLN A 53 -14.268 2.946 -3.256 1.00 0.00 O ATOM 774 CB GLN A 53 -15.183 5.583 -4.878 1.00 0.00 C ATOM 775 CG GLN A 53 -16.114 6.754 -4.606 1.00 0.00 C ATOM 776 CD GLN A 53 -17.535 6.314 -4.314 1.00 0.00 C ATOM 777 OE1 GLN A 53 -18.166 5.636 -5.124 1.00 0.00 O ATOM 778 NE2 GLN A 53 -18.047 6.701 -3.152 1.00 0.00 N ATOM 0 H GLN A 53 -13.055 6.815 -4.609 1.00 0.00 H new ATOM 0 HA GLN A 53 -14.728 5.409 -2.783 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -14.616 5.784 -5.787 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -15.780 4.691 -5.066 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -15.734 7.327 -3.760 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -16.114 7.421 -5.468 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -17.488 7.263 -2.510 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -19.000 6.437 -2.901 1.00 0.00 H new ATOM 787 N ILE A 54 -12.601 3.688 -4.573 1.00 0.00 N ATOM 788 CA ILE A 54 -12.007 2.369 -4.748 1.00 0.00 C ATOM 789 C ILE A 54 -11.263 1.929 -3.492 1.00 0.00 C ATOM 790 O ILE A 54 -11.234 0.745 -3.159 1.00 0.00 O ATOM 791 CB ILE A 54 -11.034 2.344 -5.943 1.00 0.00 C ATOM 792 CG1 ILE A 54 -11.757 2.755 -7.226 1.00 0.00 C ATOM 793 CG2 ILE A 54 -10.417 0.961 -6.095 1.00 0.00 C ATOM 794 CD1 ILE A 54 -10.893 2.659 -8.463 1.00 0.00 C ATOM 0 H ILE A 54 -12.112 4.439 -5.059 1.00 0.00 H new ATOM 0 HA ILE A 54 -12.827 1.677 -4.942 1.00 0.00 H new ATOM 0 HB ILE A 54 -10.233 3.059 -5.755 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -12.636 2.123 -7.357 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -12.114 3.780 -7.120 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -9.732 0.959 -6.943 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -9.871 0.704 -5.187 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -11.205 0.227 -6.264 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -11.471 2.966 -9.335 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -10.027 3.312 -8.354 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -10.557 1.630 -8.593 1.00 0.00 H new ATOM 806 N ALA A 55 -10.665 2.892 -2.798 1.00 0.00 N ATOM 807 CA ALA A 55 -9.924 2.605 -1.576 1.00 0.00 C ATOM 808 C ALA A 55 -10.871 2.385 -0.399 1.00 0.00 C ATOM 809 O ALA A 55 -10.636 1.518 0.443 1.00 0.00 O ATOM 810 CB ALA A 55 -8.953 3.734 -1.269 1.00 0.00 C ATOM 0 H ALA A 55 -10.679 3.877 -3.061 1.00 0.00 H new ATOM 0 HA ALA A 55 -9.358 1.686 -1.731 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -8.407 3.505 -0.354 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.249 3.843 -2.094 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -9.506 4.664 -1.139 1.00 0.00 H new ATOM 816 N GLN A 56 -11.938 3.174 -0.349 1.00 0.00 N ATOM 817 CA GLN A 56 -12.918 3.066 0.725 1.00 0.00 C ATOM 818 C GLN A 56 -13.681 1.749 0.634 1.00 0.00 C ATOM 819 O GLN A 56 -13.740 0.985 1.598 1.00 0.00 O ATOM 820 CB GLN A 56 -13.896 4.241 0.673 1.00 0.00 C ATOM 821 CG GLN A 56 -13.787 5.177 1.866 1.00 0.00 C ATOM 822 CD GLN A 56 -14.429 4.608 3.115 1.00 0.00 C ATOM 823 OE1 GLN A 56 -15.610 4.258 3.116 1.00 0.00 O ATOM 824 NE2 GLN A 56 -13.654 4.510 4.188 1.00 0.00 N ATOM 0 H GLN A 56 -12.146 3.895 -1.039 1.00 0.00 H new ATOM 0 HA GLN A 56 -12.383 3.091 1.675 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -13.721 4.809 -0.241 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -14.913 3.854 0.617 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -12.736 5.385 2.065 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -14.259 6.128 1.621 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -12.681 4.812 4.143 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -14.032 4.133 5.057 1.00 0.00 H new ATOM 833 N SER A 57 -14.267 1.490 -0.530 1.00 0.00 N ATOM 834 CA SER A 57 -15.031 0.266 -0.746 1.00 0.00 C ATOM 835 C SER A 57 -14.182 -0.965 -0.444 1.00 0.00 C ATOM 836 O SER A 57 -14.692 -1.989 0.013 1.00 0.00 O ATOM 837 CB SER A 57 -15.542 0.206 -2.186 1.00 0.00 C ATOM 838 OG SER A 57 -16.898 0.612 -2.264 1.00 0.00 O ATOM 0 H SER A 57 -14.228 2.111 -1.338 1.00 0.00 H new ATOM 0 HA SER A 57 -15.883 0.274 -0.066 1.00 0.00 H new ATOM 0 HB2 SER A 57 -14.930 0.848 -2.819 1.00 0.00 H new ATOM 0 HB3 SER A 57 -15.441 -0.809 -2.569 1.00 0.00 H new ATOM 0 HG SER A 57 -17.200 0.566 -3.195 1.00 0.00 H new ATOM 844 N LEU A 58 -12.884 -0.859 -0.705 1.00 0.00 N ATOM 845 CA LEU A 58 -11.961 -1.963 -0.461 1.00 0.00 C ATOM 846 C LEU A 58 -11.732 -2.161 1.033 1.00 0.00 C ATOM 847 O LEU A 58 -11.605 -3.290 1.508 1.00 0.00 O ATOM 848 CB LEU A 58 -10.627 -1.703 -1.164 1.00 0.00 C ATOM 849 CG LEU A 58 -10.477 -2.306 -2.562 1.00 0.00 C ATOM 850 CD1 LEU A 58 -9.190 -1.827 -3.214 1.00 0.00 C ATOM 851 CD2 LEU A 58 -10.509 -3.826 -2.493 1.00 0.00 C ATOM 0 H LEU A 58 -12.446 -0.020 -1.086 1.00 0.00 H new ATOM 0 HA LEU A 58 -12.406 -2.872 -0.865 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -10.482 -0.625 -1.237 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -9.826 -2.091 -0.535 1.00 0.00 H new ATOM 0 HG LEU A 58 -11.316 -1.972 -3.173 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -9.100 -2.266 -4.208 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -9.207 -0.740 -3.298 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -8.339 -2.131 -2.605 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -10.401 -4.238 -3.496 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -9.691 -4.179 -1.866 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -11.458 -4.151 -2.068 1.00 0.00 H new ATOM 863 N CYS A 59 -11.679 -1.057 1.770 1.00 0.00 N ATOM 864 CA CYS A 59 -11.466 -1.108 3.212 1.00 0.00 C ATOM 865 C CYS A 59 -12.434 -2.086 3.870 1.00 0.00 C ATOM 866 O CYS A 59 -13.644 -1.859 3.889 1.00 0.00 O ATOM 867 CB CYS A 59 -11.632 0.283 3.823 1.00 0.00 C ATOM 868 SG CYS A 59 -10.259 1.409 3.480 1.00 0.00 S ATOM 0 H CYS A 59 -11.781 -0.115 1.392 1.00 0.00 H new ATOM 0 HA CYS A 59 -10.449 -1.456 3.392 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -12.554 0.726 3.446 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -11.745 0.183 4.903 1.00 0.00 H new ATOM 0 HG CYS A 59 -10.189 1.632 2.201 1.00 0.00 H new ATOM 874 N GLY A 60 -11.895 -3.175 4.408 1.00 0.00 N ATOM 875 CA GLY A 60 -12.725 -4.172 5.058 1.00 0.00 C ATOM 876 C GLY A 60 -12.793 -5.469 4.278 1.00 0.00 C ATOM 877 O GLY A 60 -13.361 -6.455 4.747 1.00 0.00 O ATOM 0 H GLY A 60 -10.897 -3.385 4.405 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -12.333 -4.372 6.055 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -13.732 -3.775 5.185 1.00 0.00 H new ATOM 881 N GLU A 61 -12.212 -5.470 3.081 1.00 0.00 N ATOM 882 CA GLU A 61 -12.211 -6.655 2.233 1.00 0.00 C ATOM 883 C GLU A 61 -10.912 -7.439 2.395 1.00 0.00 C ATOM 884 O GLU A 61 -9.829 -6.858 2.459 1.00 0.00 O ATOM 885 CB GLU A 61 -12.403 -6.262 0.767 1.00 0.00 C ATOM 886 CG GLU A 61 -13.678 -5.474 0.510 1.00 0.00 C ATOM 887 CD GLU A 61 -14.867 -6.368 0.222 1.00 0.00 C ATOM 888 OE1 GLU A 61 -15.516 -6.824 1.187 1.00 0.00 O ATOM 889 OE2 GLU A 61 -15.150 -6.612 -0.970 1.00 0.00 O ATOM 0 H GLU A 61 -11.736 -4.663 2.678 1.00 0.00 H new ATOM 0 HA GLU A 61 -13.040 -7.291 2.542 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -11.548 -5.669 0.444 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -12.414 -7.165 0.156 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -13.897 -4.852 1.378 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -13.521 -4.801 -0.333 1.00 0.00 H new ATOM 896 N ASP A 62 -11.030 -8.761 2.462 1.00 0.00 N ATOM 897 CA ASP A 62 -9.866 -9.625 2.616 1.00 0.00 C ATOM 898 C ASP A 62 -9.445 -10.214 1.273 1.00 0.00 C ATOM 899 O ASP A 62 -10.145 -11.051 0.702 1.00 0.00 O ATOM 900 CB ASP A 62 -10.166 -10.750 3.607 1.00 0.00 C ATOM 901 CG ASP A 62 -11.412 -11.529 3.238 1.00 0.00 C ATOM 902 OD1 ASP A 62 -12.504 -10.922 3.197 1.00 0.00 O ATOM 903 OD2 ASP A 62 -11.297 -12.748 2.989 1.00 0.00 O ATOM 0 H ASP A 62 -11.920 -9.257 2.412 1.00 0.00 H new ATOM 0 HA ASP A 62 -9.045 -9.021 3.002 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -9.315 -11.430 3.649 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -10.287 -10.329 4.605 1.00 0.00 H new ATOM 908 N LEU A 63 -8.296 -9.771 0.773 1.00 0.00 N ATOM 909 CA LEU A 63 -7.782 -10.252 -0.505 1.00 0.00 C ATOM 910 C LEU A 63 -6.589 -11.181 -0.295 1.00 0.00 C ATOM 911 O LEU A 63 -5.882 -11.082 0.707 1.00 0.00 O ATOM 912 CB LEU A 63 -7.374 -9.074 -1.391 1.00 0.00 C ATOM 913 CG LEU A 63 -8.302 -7.858 -1.357 1.00 0.00 C ATOM 914 CD1 LEU A 63 -7.679 -6.691 -2.107 1.00 0.00 C ATOM 915 CD2 LEU A 63 -9.661 -8.208 -1.945 1.00 0.00 C ATOM 0 H LEU A 63 -7.703 -9.080 1.233 1.00 0.00 H new ATOM 0 HA LEU A 63 -8.575 -10.812 -1.000 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -6.375 -8.752 -1.097 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -7.305 -9.426 -2.420 1.00 0.00 H new ATOM 0 HG LEU A 63 -8.444 -7.561 -0.318 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -8.353 -5.835 -2.072 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -6.730 -6.425 -1.642 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -7.507 -6.976 -3.145 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -10.308 -7.331 -1.913 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -9.538 -8.530 -2.979 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -10.112 -9.013 -1.365 1.00 0.00 H new ATOM 927 N ILE A 64 -6.373 -12.081 -1.249 1.00 0.00 N ATOM 928 CA ILE A 64 -5.265 -13.025 -1.171 1.00 0.00 C ATOM 929 C ILE A 64 -4.202 -12.713 -2.219 1.00 0.00 C ATOM 930 O ILE A 64 -4.516 -12.498 -3.390 1.00 0.00 O ATOM 931 CB ILE A 64 -5.746 -14.475 -1.360 1.00 0.00 C ATOM 932 CG1 ILE A 64 -6.841 -14.809 -0.344 1.00 0.00 C ATOM 933 CG2 ILE A 64 -4.580 -15.442 -1.225 1.00 0.00 C ATOM 934 CD1 ILE A 64 -6.309 -15.109 1.040 1.00 0.00 C ATOM 0 H ILE A 64 -6.950 -12.176 -2.084 1.00 0.00 H new ATOM 0 HA ILE A 64 -4.832 -12.922 -0.176 1.00 0.00 H new ATOM 0 HB ILE A 64 -6.163 -14.576 -2.362 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -7.537 -13.972 -0.284 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -7.407 -15.669 -0.701 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -4.936 -16.463 -1.361 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -3.830 -15.215 -1.983 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -4.137 -15.342 -0.234 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -7.140 -15.337 1.708 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -5.636 -15.965 0.993 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -5.768 -14.242 1.418 1.00 0.00 H new ATOM 946 N ILE A 65 -2.945 -12.692 -1.791 1.00 0.00 N ATOM 947 CA ILE A 65 -1.836 -12.410 -2.693 1.00 0.00 C ATOM 948 C ILE A 65 -0.765 -13.493 -2.604 1.00 0.00 C ATOM 949 O ILE A 65 -0.015 -13.562 -1.629 1.00 0.00 O ATOM 950 CB ILE A 65 -1.194 -11.043 -2.387 1.00 0.00 C ATOM 951 CG1 ILE A 65 -2.200 -9.917 -2.633 1.00 0.00 C ATOM 952 CG2 ILE A 65 0.053 -10.842 -3.235 1.00 0.00 C ATOM 953 CD1 ILE A 65 -1.838 -8.621 -1.941 1.00 0.00 C ATOM 0 H ILE A 65 -2.669 -12.867 -0.825 1.00 0.00 H new ATOM 0 HA ILE A 65 -2.248 -12.391 -3.702 1.00 0.00 H new ATOM 0 HB ILE A 65 -0.902 -11.021 -1.337 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -2.277 -9.738 -3.705 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -3.184 -10.239 -2.292 1.00 0.00 H new ATOM 0 HG21 ILE A 65 0.495 -9.872 -3.008 1.00 0.00 H new ATOM 0 HG22 ILE A 65 0.773 -11.630 -3.015 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -0.215 -10.880 -4.291 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -2.595 -7.868 -2.160 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -1.789 -8.785 -0.864 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -0.868 -8.275 -2.300 1.00 0.00 H new ATOM 965 N LYS A 66 -0.697 -14.336 -3.629 1.00 0.00 N ATOM 966 CA LYS A 66 0.282 -15.414 -3.670 1.00 0.00 C ATOM 967 C LYS A 66 -0.013 -16.459 -2.598 1.00 0.00 C ATOM 968 O LYS A 66 0.838 -17.286 -2.273 1.00 0.00 O ATOM 969 CB LYS A 66 1.694 -14.856 -3.477 1.00 0.00 C ATOM 970 CG LYS A 66 2.009 -13.671 -4.375 1.00 0.00 C ATOM 971 CD LYS A 66 3.493 -13.347 -4.371 1.00 0.00 C ATOM 972 CE LYS A 66 4.301 -14.429 -5.071 1.00 0.00 C ATOM 973 NZ LYS A 66 5.499 -13.871 -5.757 1.00 0.00 N ATOM 0 H LYS A 66 -1.310 -14.293 -4.443 1.00 0.00 H new ATOM 0 HA LYS A 66 0.217 -15.893 -4.647 1.00 0.00 H new ATOM 0 HB2 LYS A 66 1.818 -14.555 -2.437 1.00 0.00 H new ATOM 0 HB3 LYS A 66 2.418 -15.648 -3.668 1.00 0.00 H new ATOM 0 HG2 LYS A 66 1.686 -13.889 -5.393 1.00 0.00 H new ATOM 0 HG3 LYS A 66 1.445 -12.800 -4.041 1.00 0.00 H new ATOM 0 HD2 LYS A 66 3.659 -12.390 -4.866 1.00 0.00 H new ATOM 0 HD3 LYS A 66 3.840 -13.239 -3.343 1.00 0.00 H new ATOM 0 HE2 LYS A 66 4.615 -15.176 -4.342 1.00 0.00 H new ATOM 0 HE3 LYS A 66 3.670 -14.939 -5.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 6.023 -14.640 -6.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 5.198 -13.176 -6.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 6.114 -13.406 -5.059 1.00 0.00 H new ATOM 987 N GLY A 67 -1.225 -16.415 -2.053 1.00 0.00 N ATOM 988 CA GLY A 67 -1.612 -17.364 -1.026 1.00 0.00 C ATOM 989 C GLY A 67 -1.785 -16.711 0.331 1.00 0.00 C ATOM 990 O GLY A 67 -2.544 -17.199 1.169 1.00 0.00 O ATOM 0 H GLY A 67 -1.946 -15.739 -2.305 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -2.545 -17.847 -1.315 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -0.857 -18.147 -0.956 1.00 0.00 H new ATOM 994 N ILE A 68 -1.080 -15.607 0.549 1.00 0.00 N ATOM 995 CA ILE A 68 -1.159 -14.887 1.814 1.00 0.00 C ATOM 996 C ILE A 68 -2.429 -14.046 1.888 1.00 0.00 C ATOM 997 O ILE A 68 -3.095 -13.817 0.878 1.00 0.00 O ATOM 998 CB ILE A 68 0.062 -13.971 2.018 1.00 0.00 C ATOM 999 CG1 ILE A 68 -0.069 -12.710 1.162 1.00 0.00 C ATOM 1000 CG2 ILE A 68 1.345 -14.716 1.680 1.00 0.00 C ATOM 1001 CD1 ILE A 68 -0.522 -11.495 1.941 1.00 0.00 C ATOM 0 H ILE A 68 -0.447 -15.191 -0.134 1.00 0.00 H new ATOM 0 HA ILE A 68 -1.175 -15.638 2.604 1.00 0.00 H new ATOM 0 HB ILE A 68 0.102 -13.673 3.066 1.00 0.00 H new ATOM 0 HG12 ILE A 68 0.893 -12.495 0.697 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -0.778 -12.900 0.356 1.00 0.00 H new ATOM 0 HG21 ILE A 68 2.199 -14.056 1.829 1.00 0.00 H new ATOM 0 HG22 ILE A 68 1.442 -15.587 2.329 1.00 0.00 H new ATOM 0 HG23 ILE A 68 1.314 -15.040 0.640 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -0.593 -10.639 1.271 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -1.498 -11.690 2.384 1.00 0.00 H new ATOM 0 HD13 ILE A 68 0.198 -11.279 2.730 1.00 0.00 H new ATOM 1013 N SER A 69 -2.758 -13.587 3.091 1.00 0.00 N ATOM 1014 CA SER A 69 -3.950 -12.772 3.299 1.00 0.00 C ATOM 1015 C SER A 69 -3.575 -11.375 3.787 1.00 0.00 C ATOM 1016 O SER A 69 -2.657 -11.212 4.591 1.00 0.00 O ATOM 1017 CB SER A 69 -4.884 -13.443 4.307 1.00 0.00 C ATOM 1018 OG SER A 69 -6.231 -13.070 4.082 1.00 0.00 O ATOM 0 H SER A 69 -2.216 -13.765 3.937 1.00 0.00 H new ATOM 0 HA SER A 69 -4.466 -12.678 2.344 1.00 0.00 H new ATOM 0 HB2 SER A 69 -4.786 -14.526 4.233 1.00 0.00 H new ATOM 0 HB3 SER A 69 -4.591 -13.165 5.319 1.00 0.00 H new ATOM 0 HG SER A 69 -6.807 -13.514 4.739 1.00 0.00 H new ATOM 1024 N VAL A 70 -4.291 -10.371 3.295 1.00 0.00 N ATOM 1025 CA VAL A 70 -4.037 -8.988 3.680 1.00 0.00 C ATOM 1026 C VAL A 70 -5.339 -8.249 3.968 1.00 0.00 C ATOM 1027 O VAL A 70 -6.343 -8.449 3.285 1.00 0.00 O ATOM 1028 CB VAL A 70 -3.263 -8.233 2.583 1.00 0.00 C ATOM 1029 CG1 VAL A 70 -1.891 -8.855 2.373 1.00 0.00 C ATOM 1030 CG2 VAL A 70 -4.056 -8.220 1.286 1.00 0.00 C ATOM 0 H VAL A 70 -5.053 -10.489 2.628 1.00 0.00 H new ATOM 0 HA VAL A 70 -3.432 -9.018 4.586 1.00 0.00 H new ATOM 0 HB VAL A 70 -3.122 -7.202 2.906 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -1.359 -8.308 1.594 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -1.324 -8.807 3.302 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -2.006 -9.896 2.071 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -3.495 -7.683 0.522 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -4.230 -9.244 0.956 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -5.013 -7.724 1.449 1.00 0.00 H new ATOM 1040 N HIS A 71 -5.314 -7.393 4.986 1.00 0.00 N ATOM 1041 CA HIS A 71 -6.492 -6.621 5.365 1.00 0.00 C ATOM 1042 C HIS A 71 -6.373 -5.177 4.888 1.00 0.00 C ATOM 1043 O HIS A 71 -5.439 -4.466 5.263 1.00 0.00 O ATOM 1044 CB HIS A 71 -6.684 -6.657 6.881 1.00 0.00 C ATOM 1045 CG HIS A 71 -8.044 -6.211 7.323 1.00 0.00 C ATOM 1046 ND1 HIS A 71 -9.131 -7.057 7.383 1.00 0.00 N ATOM 1047 CD2 HIS A 71 -8.489 -4.999 7.730 1.00 0.00 C ATOM 1048 CE1 HIS A 71 -10.187 -6.385 7.806 1.00 0.00 C ATOM 1049 NE2 HIS A 71 -9.824 -5.133 8.023 1.00 0.00 N ATOM 0 H HIS A 71 -4.491 -7.217 5.562 1.00 0.00 H new ATOM 0 HA HIS A 71 -7.361 -7.071 4.886 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -6.510 -7.672 7.237 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -5.932 -6.022 7.349 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -7.903 -4.095 7.809 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -11.178 -6.790 7.950 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -10.436 -4.387 8.354 1.00 0.00 H new ATOM 1057 N ILE A 72 -7.322 -4.752 4.063 1.00 0.00 N ATOM 1058 CA ILE A 72 -7.322 -3.392 3.536 1.00 0.00 C ATOM 1059 C ILE A 72 -7.983 -2.425 4.512 1.00 0.00 C ATOM 1060 O ILE A 72 -9.142 -2.601 4.890 1.00 0.00 O ATOM 1061 CB ILE A 72 -8.051 -3.313 2.181 1.00 0.00 C ATOM 1062 CG1 ILE A 72 -7.570 -4.431 1.254 1.00 0.00 C ATOM 1063 CG2 ILE A 72 -7.830 -1.951 1.539 1.00 0.00 C ATOM 1064 CD1 ILE A 72 -6.118 -4.299 0.852 1.00 0.00 C ATOM 0 H ILE A 72 -8.101 -5.328 3.744 1.00 0.00 H new ATOM 0 HA ILE A 72 -6.279 -3.108 3.396 1.00 0.00 H new ATOM 0 HB ILE A 72 -9.120 -3.442 2.351 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -7.716 -5.391 1.750 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -8.188 -4.439 0.356 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -8.351 -1.911 0.583 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -8.217 -1.172 2.196 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -6.764 -1.793 1.378 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -5.846 -5.125 0.195 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -5.970 -3.355 0.328 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -5.490 -4.322 1.743 1.00 0.00 H new ATOM 1076 N SER A 73 -7.238 -1.400 4.918 1.00 0.00 N ATOM 1077 CA SER A 73 -7.751 -0.406 5.853 1.00 0.00 C ATOM 1078 C SER A 73 -7.172 0.973 5.549 1.00 0.00 C ATOM 1079 O SER A 73 -6.144 1.094 4.883 1.00 0.00 O ATOM 1080 CB SER A 73 -7.417 -0.806 7.291 1.00 0.00 C ATOM 1081 OG SER A 73 -8.495 -1.507 7.888 1.00 0.00 O ATOM 0 H SER A 73 -6.278 -1.237 4.614 1.00 0.00 H new ATOM 0 HA SER A 73 -8.834 -0.361 5.739 1.00 0.00 H new ATOM 0 HB2 SER A 73 -6.523 -1.430 7.300 1.00 0.00 H new ATOM 0 HB3 SER A 73 -7.190 0.085 7.876 1.00 0.00 H new ATOM 0 HG SER A 73 -8.959 -2.036 7.206 1.00 0.00 H new