USER MOD reduce.3.24.130724 H: found=0, std=0, add=503, rem=0, adj=12 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 14 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 17 MET CE :methyl -140:sc= -0.963 (180deg=-2.82!) USER MOD Single : A 13 CYS SG : rot -36:sc= 0.257 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot -40:sc= 1 USER MOD Single : A 28 GLN : amide:sc= 0.313 X(o=0.31,f=-0.013) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 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) USER MOD Single : A 56 GLN : amide:sc= -0.162 K(o=-0.16,f=-1.6!) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 CYS SG : rot 30:sc= 0.772 USER MOD Single : A 66 LYS NZ :NH3+ 154:sc= -0.141 (180deg=-0.708) USER MOD Single : A 69 SER OG : rot 180:sc= -0.0137 USER MOD Single : A 71 HIS : no HD1:sc= -0.436 X(o=-0.44,f=-0.017) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -5.718 6.647 0.306 1.00 0.00 N ATOM 60 CA GLY A 7 -4.709 5.637 0.570 1.00 0.00 C ATOM 61 C GLY A 7 -5.162 4.619 1.597 1.00 0.00 C ATOM 62 O GLY A 7 -6.185 4.804 2.257 1.00 0.00 O ATOM 0 HA2 GLY A 7 -4.460 5.125 -0.359 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.798 6.121 0.921 1.00 0.00 H new ATOM 66 N VAL A 8 -4.400 3.538 1.732 1.00 0.00 N ATOM 67 CA VAL A 8 -4.729 2.485 2.686 1.00 0.00 C ATOM 68 C VAL A 8 -3.489 1.688 3.074 1.00 0.00 C ATOM 69 O VAL A 8 -2.525 1.609 2.312 1.00 0.00 O ATOM 70 CB VAL A 8 -5.787 1.522 2.116 1.00 0.00 C ATOM 71 CG1 VAL A 8 -7.146 2.202 2.046 1.00 0.00 C ATOM 72 CG2 VAL A 8 -5.364 1.016 0.746 1.00 0.00 C ATOM 0 H VAL A 8 -3.551 3.368 1.193 1.00 0.00 H new ATOM 0 HA VAL A 8 -5.134 2.975 3.571 1.00 0.00 H new ATOM 0 HB VAL A 8 -5.870 0.665 2.784 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -7.881 1.506 1.641 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -7.451 2.510 3.046 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -7.082 3.078 1.401 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -6.123 0.337 0.359 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -5.251 1.860 0.065 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -4.414 0.488 0.830 1.00 0.00 H new ATOM 82 N PHE A 9 -3.520 1.097 4.264 1.00 0.00 N ATOM 83 CA PHE A 9 -2.398 0.306 4.754 1.00 0.00 C ATOM 84 C PHE A 9 -2.651 -1.184 4.546 1.00 0.00 C ATOM 85 O PHE A 9 -3.549 -1.764 5.155 1.00 0.00 O ATOM 86 CB PHE A 9 -2.154 0.590 6.237 1.00 0.00 C ATOM 87 CG PHE A 9 -1.525 1.930 6.495 1.00 0.00 C ATOM 88 CD1 PHE A 9 -0.336 2.281 5.878 1.00 0.00 C ATOM 89 CD2 PHE A 9 -2.124 2.836 7.355 1.00 0.00 C ATOM 90 CE1 PHE A 9 0.245 3.513 6.115 1.00 0.00 C ATOM 91 CE2 PHE A 9 -1.547 4.070 7.596 1.00 0.00 C ATOM 92 CZ PHE A 9 -0.361 4.408 6.973 1.00 0.00 C ATOM 0 H PHE A 9 -4.310 1.151 4.907 1.00 0.00 H new ATOM 0 HA PHE A 9 -1.512 0.590 4.186 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -3.103 0.534 6.770 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -1.511 -0.189 6.647 1.00 0.00 H new ATOM 0 HD1 PHE A 9 0.142 1.585 5.205 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -3.052 2.576 7.843 1.00 0.00 H new ATOM 0 HE1 PHE A 9 1.173 3.775 5.629 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -2.023 4.768 8.270 1.00 0.00 H new ATOM 0 HZ PHE A 9 0.091 5.371 7.157 1.00 0.00 H new ATOM 102 N VAL A 10 -1.853 -1.798 3.678 1.00 0.00 N ATOM 103 CA VAL A 10 -1.990 -3.221 3.388 1.00 0.00 C ATOM 104 C VAL A 10 -1.107 -4.056 4.309 1.00 0.00 C ATOM 105 O VAL A 10 0.000 -4.445 3.940 1.00 0.00 O ATOM 106 CB VAL A 10 -1.625 -3.533 1.924 1.00 0.00 C ATOM 107 CG1 VAL A 10 -1.724 -5.027 1.656 1.00 0.00 C ATOM 108 CG2 VAL A 10 -2.522 -2.753 0.975 1.00 0.00 C ATOM 0 H VAL A 10 -1.105 -1.333 3.164 1.00 0.00 H new ATOM 0 HA VAL A 10 -3.035 -3.480 3.557 1.00 0.00 H new ATOM 0 HB VAL A 10 -0.594 -3.224 1.750 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -1.463 -5.228 0.617 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.037 -5.561 2.313 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -2.743 -5.364 1.846 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -2.251 -2.985 -0.055 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -3.562 -3.030 1.148 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -2.397 -1.685 1.151 1.00 0.00 H new ATOM 118 N GLY A 11 -1.607 -4.331 5.510 1.00 0.00 N ATOM 119 CA GLY A 11 -0.851 -5.119 6.466 1.00 0.00 C ATOM 120 C GLY A 11 -0.618 -6.539 5.991 1.00 0.00 C ATOM 121 O GLY A 11 -0.944 -6.881 4.854 1.00 0.00 O ATOM 0 H GLY A 11 -2.522 -4.022 5.838 1.00 0.00 H new ATOM 0 HA2 GLY A 11 0.110 -4.638 6.649 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -1.384 -5.140 7.417 1.00 0.00 H new ATOM 125 N ARG A 12 -0.050 -7.367 6.860 1.00 0.00 N ATOM 126 CA ARG A 12 0.230 -8.757 6.522 1.00 0.00 C ATOM 127 C ARG A 12 0.986 -8.853 5.200 1.00 0.00 C ATOM 128 O ARG A 12 0.670 -9.688 4.352 1.00 0.00 O ATOM 129 CB ARG A 12 -1.072 -9.555 6.436 1.00 0.00 C ATOM 130 CG ARG A 12 -1.802 -9.676 7.764 1.00 0.00 C ATOM 131 CD ARG A 12 -1.962 -11.130 8.181 1.00 0.00 C ATOM 132 NE ARG A 12 -3.232 -11.366 8.864 1.00 0.00 N ATOM 133 CZ ARG A 12 -3.689 -12.576 9.165 1.00 0.00 C ATOM 134 NH1 ARG A 12 -2.986 -13.653 8.844 1.00 0.00 N ATOM 135 NH2 ARG A 12 -4.854 -12.711 9.786 1.00 0.00 N ATOM 0 H ARG A 12 0.226 -7.099 7.805 1.00 0.00 H new ATOM 0 HA ARG A 12 0.855 -9.178 7.310 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -1.732 -9.080 5.710 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -0.852 -10.554 6.060 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -1.252 -9.134 8.533 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -2.784 -9.209 7.685 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -1.900 -11.769 7.300 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -1.139 -11.412 8.838 1.00 0.00 H new ATOM 0 HE ARG A 12 -3.798 -10.558 9.124 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -2.091 -13.554 8.364 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -3.340 -14.581 9.077 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -5.399 -11.885 10.033 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -5.204 -13.641 10.017 1.00 0.00 H new ATOM 149 N CYS A 13 1.984 -7.993 5.032 1.00 0.00 N ATOM 150 CA CYS A 13 2.785 -7.979 3.813 1.00 0.00 C ATOM 151 C CYS A 13 4.143 -8.632 4.048 1.00 0.00 C ATOM 152 O CYS A 13 4.566 -8.821 5.189 1.00 0.00 O ATOM 153 CB CYS A 13 2.973 -6.545 3.318 1.00 0.00 C ATOM 154 SG CYS A 13 2.402 -6.267 1.625 1.00 0.00 S ATOM 0 H CYS A 13 2.258 -7.296 5.725 1.00 0.00 H new ATOM 0 HA CYS A 13 2.254 -8.551 3.052 1.00 0.00 H new ATOM 0 HB2 CYS A 13 2.439 -5.869 3.986 1.00 0.00 H new ATOM 0 HB3 CYS A 13 4.030 -6.286 3.381 1.00 0.00 H new ATOM 0 HG CYS A 13 2.649 -7.321 0.905 1.00 0.00 H new ATOM 160 N THR A 14 4.824 -8.978 2.959 1.00 0.00 N ATOM 161 CA THR A 14 6.133 -9.613 3.045 1.00 0.00 C ATOM 162 C THR A 14 7.161 -8.870 2.199 1.00 0.00 C ATOM 163 O THR A 14 6.820 -8.250 1.194 1.00 0.00 O ATOM 164 CB THR A 14 6.075 -11.083 2.590 1.00 0.00 C ATOM 165 OG1 THR A 14 5.794 -11.151 1.188 1.00 0.00 O ATOM 166 CG2 THR A 14 5.013 -11.849 3.364 1.00 0.00 C ATOM 0 H THR A 14 4.490 -8.829 2.007 1.00 0.00 H new ATOM 0 HA THR A 14 6.434 -9.577 4.092 1.00 0.00 H new ATOM 0 HB THR A 14 7.045 -11.540 2.788 1.00 0.00 H new ATOM 0 HG1 THR A 14 5.760 -12.089 0.906 1.00 0.00 H new ATOM 0 HG21 THR A 14 4.991 -12.885 3.025 1.00 0.00 H new ATOM 0 HG22 THR A 14 5.247 -11.821 4.428 1.00 0.00 H new ATOM 0 HG23 THR A 14 4.038 -11.391 3.195 1.00 0.00 H new ATOM 174 N GLY A 15 8.423 -8.939 2.614 1.00 0.00 N ATOM 175 CA GLY A 15 9.481 -8.268 1.882 1.00 0.00 C ATOM 176 C GLY A 15 9.549 -8.703 0.432 1.00 0.00 C ATOM 177 O GLY A 15 9.632 -7.870 -0.470 1.00 0.00 O ATOM 0 H GLY A 15 8.731 -9.447 3.443 1.00 0.00 H new ATOM 0 HA2 GLY A 15 9.323 -7.190 1.928 1.00 0.00 H new ATOM 0 HA3 GLY A 15 10.437 -8.471 2.364 1.00 0.00 H new ATOM 181 N ASP A 16 9.514 -10.012 0.206 1.00 0.00 N ATOM 182 CA ASP A 16 9.572 -10.557 -1.145 1.00 0.00 C ATOM 183 C ASP A 16 8.783 -9.687 -2.117 1.00 0.00 C ATOM 184 O ASP A 16 9.316 -9.222 -3.124 1.00 0.00 O ATOM 185 CB ASP A 16 9.029 -11.987 -1.165 1.00 0.00 C ATOM 186 CG ASP A 16 9.211 -12.657 -2.513 1.00 0.00 C ATOM 187 OD1 ASP A 16 10.293 -13.233 -2.746 1.00 0.00 O ATOM 188 OD2 ASP A 16 8.272 -12.603 -3.335 1.00 0.00 O ATOM 0 H ASP A 16 9.446 -10.715 0.942 1.00 0.00 H new ATOM 0 HA ASP A 16 10.615 -10.568 -1.461 1.00 0.00 H new ATOM 0 HB2 ASP A 16 9.535 -12.575 -0.399 1.00 0.00 H new ATOM 0 HB3 ASP A 16 7.970 -11.974 -0.909 1.00 0.00 H new ATOM 193 N MET A 17 7.508 -9.469 -1.808 1.00 0.00 N ATOM 194 CA MET A 17 6.645 -8.654 -2.655 1.00 0.00 C ATOM 195 C MET A 17 7.358 -7.376 -3.087 1.00 0.00 C ATOM 196 O MET A 17 8.224 -6.864 -2.376 1.00 0.00 O ATOM 197 CB MET A 17 5.352 -8.305 -1.915 1.00 0.00 C ATOM 198 CG MET A 17 4.401 -9.481 -1.765 1.00 0.00 C ATOM 199 SD MET A 17 2.853 -9.025 -0.961 1.00 0.00 S ATOM 200 CE MET A 17 2.260 -10.630 -0.432 1.00 0.00 C ATOM 0 H MET A 17 7.050 -9.845 -0.978 1.00 0.00 H new ATOM 0 HA MET A 17 6.401 -9.232 -3.546 1.00 0.00 H new ATOM 0 HB2 MET A 17 5.602 -7.922 -0.926 1.00 0.00 H new ATOM 0 HB3 MET A 17 4.843 -7.502 -2.449 1.00 0.00 H new ATOM 0 HG2 MET A 17 4.186 -9.897 -2.749 1.00 0.00 H new ATOM 0 HG3 MET A 17 4.889 -10.266 -1.187 1.00 0.00 H new ATOM 0 HE1 MET A 17 1.183 -10.689 -0.586 1.00 0.00 H new ATOM 0 HE2 MET A 17 2.752 -11.410 -1.013 1.00 0.00 H new ATOM 0 HE3 MET A 17 2.484 -10.770 0.626 1.00 0.00 H new ATOM 210 N THR A 18 6.989 -6.865 -4.258 1.00 0.00 N ATOM 211 CA THR A 18 7.595 -5.649 -4.785 1.00 0.00 C ATOM 212 C THR A 18 6.530 -4.645 -5.210 1.00 0.00 C ATOM 213 O THR A 18 5.470 -5.024 -5.707 1.00 0.00 O ATOM 214 CB THR A 18 8.508 -5.951 -5.988 1.00 0.00 C ATOM 215 OG1 THR A 18 7.746 -6.548 -7.044 1.00 0.00 O ATOM 216 CG2 THR A 18 9.641 -6.883 -5.586 1.00 0.00 C ATOM 0 H THR A 18 6.274 -7.275 -4.859 1.00 0.00 H new ATOM 0 HA THR A 18 8.195 -5.221 -3.982 1.00 0.00 H new ATOM 0 HB THR A 18 8.937 -5.011 -6.336 1.00 0.00 H new ATOM 0 HG1 THR A 18 8.333 -6.735 -7.806 1.00 0.00 H new ATOM 0 HG21 THR A 18 10.273 -7.082 -6.452 1.00 0.00 H new ATOM 0 HG22 THR A 18 10.236 -6.415 -4.802 1.00 0.00 H new ATOM 0 HG23 THR A 18 9.227 -7.821 -5.216 1.00 0.00 H new ATOM 224 N GLU A 19 6.819 -3.363 -5.012 1.00 0.00 N ATOM 225 CA GLU A 19 5.884 -2.304 -5.376 1.00 0.00 C ATOM 226 C GLU A 19 5.189 -2.622 -6.696 1.00 0.00 C ATOM 227 O GLU A 19 4.051 -2.211 -6.926 1.00 0.00 O ATOM 228 CB GLU A 19 6.614 -0.962 -5.480 1.00 0.00 C ATOM 229 CG GLU A 19 7.125 -0.443 -4.147 1.00 0.00 C ATOM 230 CD GLU A 19 8.605 -0.704 -3.948 1.00 0.00 C ATOM 231 OE1 GLU A 19 8.977 -1.875 -3.728 1.00 0.00 O ATOM 232 OE2 GLU A 19 9.391 0.264 -4.012 1.00 0.00 O ATOM 0 H GLU A 19 7.692 -3.032 -4.602 1.00 0.00 H new ATOM 0 HA GLU A 19 5.127 -2.238 -4.594 1.00 0.00 H new ATOM 0 HB2 GLU A 19 7.455 -1.067 -6.166 1.00 0.00 H new ATOM 0 HB3 GLU A 19 5.940 -0.224 -5.914 1.00 0.00 H new ATOM 0 HG2 GLU A 19 6.937 0.629 -4.082 1.00 0.00 H new ATOM 0 HG3 GLU A 19 6.565 -0.914 -3.339 1.00 0.00 H new ATOM 239 N ASP A 20 5.882 -3.354 -7.561 1.00 0.00 N ATOM 240 CA ASP A 20 5.332 -3.729 -8.859 1.00 0.00 C ATOM 241 C ASP A 20 4.210 -4.749 -8.700 1.00 0.00 C ATOM 242 O ASP A 20 3.096 -4.540 -9.181 1.00 0.00 O ATOM 243 CB ASP A 20 6.432 -4.298 -9.757 1.00 0.00 C ATOM 244 CG ASP A 20 6.017 -4.354 -11.214 1.00 0.00 C ATOM 245 OD1 ASP A 20 4.825 -4.611 -11.482 1.00 0.00 O ATOM 246 OD2 ASP A 20 6.886 -4.142 -12.087 1.00 0.00 O ATOM 0 H ASP A 20 6.826 -3.700 -7.387 1.00 0.00 H new ATOM 0 HA ASP A 20 4.920 -2.833 -9.324 1.00 0.00 H new ATOM 0 HB2 ASP A 20 7.329 -3.686 -9.661 1.00 0.00 H new ATOM 0 HB3 ASP A 20 6.692 -5.300 -9.417 1.00 0.00 H new ATOM 251 N GLU A 21 4.510 -5.852 -8.024 1.00 0.00 N ATOM 252 CA GLU A 21 3.527 -6.905 -7.804 1.00 0.00 C ATOM 253 C GLU A 21 2.211 -6.323 -7.294 1.00 0.00 C ATOM 254 O GLU A 21 1.155 -6.524 -7.895 1.00 0.00 O ATOM 255 CB GLU A 21 4.062 -7.934 -6.805 1.00 0.00 C ATOM 256 CG GLU A 21 5.240 -8.737 -7.331 1.00 0.00 C ATOM 257 CD GLU A 21 4.810 -9.941 -8.145 1.00 0.00 C ATOM 258 OE1 GLU A 21 3.724 -10.490 -7.861 1.00 0.00 O ATOM 259 OE2 GLU A 21 5.558 -10.335 -9.064 1.00 0.00 O ATOM 0 H GLU A 21 5.427 -6.040 -7.619 1.00 0.00 H new ATOM 0 HA GLU A 21 3.342 -7.398 -8.758 1.00 0.00 H new ATOM 0 HB2 GLU A 21 4.362 -7.420 -5.892 1.00 0.00 H new ATOM 0 HB3 GLU A 21 3.258 -8.619 -6.535 1.00 0.00 H new ATOM 0 HG2 GLU A 21 5.868 -8.093 -7.947 1.00 0.00 H new ATOM 0 HG3 GLU A 21 5.851 -9.070 -6.492 1.00 0.00 H new ATOM 266 N LEU A 22 2.282 -5.600 -6.181 1.00 0.00 N ATOM 267 CA LEU A 22 1.098 -4.988 -5.589 1.00 0.00 C ATOM 268 C LEU A 22 0.458 -3.995 -6.554 1.00 0.00 C ATOM 269 O LEU A 22 -0.759 -3.986 -6.733 1.00 0.00 O ATOM 270 CB LEU A 22 1.464 -4.282 -4.282 1.00 0.00 C ATOM 271 CG LEU A 22 1.926 -5.186 -3.138 1.00 0.00 C ATOM 272 CD1 LEU A 22 3.201 -4.644 -2.511 1.00 0.00 C ATOM 273 CD2 LEU A 22 0.831 -5.323 -2.091 1.00 0.00 C ATOM 0 H LEU A 22 3.147 -5.424 -5.671 1.00 0.00 H new ATOM 0 HA LEU A 22 0.377 -5.778 -5.379 1.00 0.00 H new ATOM 0 HB2 LEU A 22 2.254 -3.561 -4.491 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.597 -3.715 -3.943 1.00 0.00 H new ATOM 0 HG LEU A 22 2.138 -6.175 -3.545 1.00 0.00 H new ATOM 0 HD11 LEU A 22 3.515 -5.300 -1.699 1.00 0.00 H new ATOM 0 HD12 LEU A 22 3.987 -4.599 -3.265 1.00 0.00 H new ATOM 0 HD13 LEU A 22 3.017 -3.644 -2.119 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.177 -5.970 -1.285 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.587 -4.340 -1.688 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.058 -5.758 -2.549 1.00 0.00 H new ATOM 285 N ARG A 23 1.288 -3.163 -7.175 1.00 0.00 N ATOM 286 CA ARG A 23 0.802 -2.166 -8.122 1.00 0.00 C ATOM 287 C ARG A 23 0.018 -2.827 -9.252 1.00 0.00 C ATOM 288 O ARG A 23 -0.937 -2.254 -9.775 1.00 0.00 O ATOM 289 CB ARG A 23 1.972 -1.367 -8.699 1.00 0.00 C ATOM 290 CG ARG A 23 1.591 -0.501 -9.888 1.00 0.00 C ATOM 291 CD ARG A 23 2.777 0.309 -10.390 1.00 0.00 C ATOM 292 NE ARG A 23 3.172 -0.080 -11.741 1.00 0.00 N ATOM 293 CZ ARG A 23 2.377 0.031 -12.799 1.00 0.00 C ATOM 294 NH1 ARG A 23 1.151 0.515 -12.665 1.00 0.00 N ATOM 295 NH2 ARG A 23 2.809 -0.345 -13.997 1.00 0.00 N ATOM 0 H ARG A 23 2.299 -3.159 -7.040 1.00 0.00 H new ATOM 0 HA ARG A 23 0.136 -1.488 -7.588 1.00 0.00 H new ATOM 0 HB2 ARG A 23 2.388 -0.732 -7.917 1.00 0.00 H new ATOM 0 HB3 ARG A 23 2.759 -2.058 -9.001 1.00 0.00 H new ATOM 0 HG2 ARG A 23 1.213 -1.132 -10.693 1.00 0.00 H new ATOM 0 HG3 ARG A 23 0.783 0.173 -9.605 1.00 0.00 H new ATOM 0 HD2 ARG A 23 2.524 1.369 -10.377 1.00 0.00 H new ATOM 0 HD3 ARG A 23 3.620 0.175 -9.713 1.00 0.00 H new ATOM 0 HE ARG A 23 4.109 -0.457 -11.880 1.00 0.00 H new ATOM 0 HH11 ARG A 23 0.814 0.804 -11.747 1.00 0.00 H new ATOM 0 HH12 ARG A 23 0.544 0.599 -13.480 1.00 0.00 H new ATOM 0 HH21 ARG A 23 3.752 -0.719 -14.105 1.00 0.00 H new ATOM 0 HH22 ARG A 23 2.198 -0.260 -14.809 1.00 0.00 H new ATOM 309 N GLU A 24 0.430 -4.036 -9.624 1.00 0.00 N ATOM 310 CA GLU A 24 -0.233 -4.773 -10.692 1.00 0.00 C ATOM 311 C GLU A 24 -1.413 -5.575 -10.149 1.00 0.00 C ATOM 312 O GLU A 24 -2.336 -5.919 -10.887 1.00 0.00 O ATOM 313 CB GLU A 24 0.757 -5.710 -11.387 1.00 0.00 C ATOM 314 CG GLU A 24 0.126 -6.568 -12.470 1.00 0.00 C ATOM 315 CD GLU A 24 0.089 -8.038 -12.103 1.00 0.00 C ATOM 316 OE1 GLU A 24 -0.355 -8.360 -10.981 1.00 0.00 O ATOM 317 OE2 GLU A 24 0.505 -8.869 -12.938 1.00 0.00 O ATOM 0 H GLU A 24 1.219 -4.524 -9.201 1.00 0.00 H new ATOM 0 HA GLU A 24 -0.609 -4.051 -11.417 1.00 0.00 H new ATOM 0 HB2 GLU A 24 1.559 -5.116 -11.827 1.00 0.00 H new ATOM 0 HB3 GLU A 24 1.214 -6.360 -10.641 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -0.889 -6.219 -12.659 1.00 0.00 H new ATOM 0 HG3 GLU A 24 0.684 -6.443 -13.398 1.00 0.00 H new ATOM 324 N PHE A 25 -1.375 -5.868 -8.854 1.00 0.00 N ATOM 325 CA PHE A 25 -2.439 -6.629 -8.210 1.00 0.00 C ATOM 326 C PHE A 25 -3.655 -5.747 -7.943 1.00 0.00 C ATOM 327 O PHE A 25 -4.794 -6.216 -7.968 1.00 0.00 O ATOM 328 CB PHE A 25 -1.939 -7.238 -6.898 1.00 0.00 C ATOM 329 CG PHE A 25 -3.023 -7.887 -6.087 1.00 0.00 C ATOM 330 CD1 PHE A 25 -3.471 -9.162 -6.399 1.00 0.00 C ATOM 331 CD2 PHE A 25 -3.594 -7.225 -5.013 1.00 0.00 C ATOM 332 CE1 PHE A 25 -4.469 -9.762 -5.655 1.00 0.00 C ATOM 333 CE2 PHE A 25 -4.592 -7.820 -4.264 1.00 0.00 C ATOM 334 CZ PHE A 25 -5.029 -9.090 -4.585 1.00 0.00 C ATOM 0 H PHE A 25 -0.618 -5.590 -8.229 1.00 0.00 H new ATOM 0 HA PHE A 25 -2.736 -7.432 -8.885 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -1.170 -7.978 -7.120 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -1.467 -6.457 -6.301 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -3.035 -9.692 -7.233 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -3.255 -6.232 -4.757 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -4.811 -10.754 -5.909 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -5.029 -7.292 -3.429 1.00 0.00 H new ATOM 0 HZ PHE A 25 -5.808 -9.558 -4.001 1.00 0.00 H new ATOM 344 N PHE A 26 -3.405 -4.467 -7.689 1.00 0.00 N ATOM 345 CA PHE A 26 -4.479 -3.518 -7.415 1.00 0.00 C ATOM 346 C PHE A 26 -4.871 -2.761 -8.681 1.00 0.00 C ATOM 347 O PHE A 26 -5.799 -1.954 -8.672 1.00 0.00 O ATOM 348 CB PHE A 26 -4.050 -2.529 -6.329 1.00 0.00 C ATOM 349 CG PHE A 26 -3.942 -3.148 -4.964 1.00 0.00 C ATOM 350 CD1 PHE A 26 -5.069 -3.628 -4.316 1.00 0.00 C ATOM 351 CD2 PHE A 26 -2.715 -3.250 -4.330 1.00 0.00 C ATOM 352 CE1 PHE A 26 -4.973 -4.197 -3.061 1.00 0.00 C ATOM 353 CE2 PHE A 26 -2.613 -3.818 -3.074 1.00 0.00 C ATOM 354 CZ PHE A 26 -3.744 -4.294 -2.439 1.00 0.00 C ATOM 0 H PHE A 26 -2.469 -4.063 -7.667 1.00 0.00 H new ATOM 0 HA PHE A 26 -5.345 -4.079 -7.064 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -3.087 -2.098 -6.601 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -4.767 -1.709 -6.292 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -6.033 -3.556 -4.798 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -1.827 -2.881 -4.823 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -5.859 -4.566 -2.566 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -1.650 -3.890 -2.590 1.00 0.00 H new ATOM 0 HZ PHE A 26 -3.667 -4.741 -1.459 1.00 0.00 H new ATOM 364 N SER A 27 -4.155 -3.029 -9.769 1.00 0.00 N ATOM 365 CA SER A 27 -4.425 -2.371 -11.042 1.00 0.00 C ATOM 366 C SER A 27 -5.672 -2.952 -11.701 1.00 0.00 C ATOM 367 O SER A 27 -6.277 -2.324 -12.569 1.00 0.00 O ATOM 368 CB SER A 27 -3.224 -2.516 -11.979 1.00 0.00 C ATOM 369 OG SER A 27 -3.001 -3.873 -12.317 1.00 0.00 O ATOM 0 H SER A 27 -3.384 -3.697 -9.794 1.00 0.00 H new ATOM 0 HA SER A 27 -4.599 -1.313 -10.846 1.00 0.00 H new ATOM 0 HB2 SER A 27 -3.394 -1.936 -12.886 1.00 0.00 H new ATOM 0 HB3 SER A 27 -2.334 -2.106 -11.501 1.00 0.00 H new ATOM 0 HG SER A 27 -3.139 -4.434 -11.525 1.00 0.00 H new ATOM 375 N GLN A 28 -6.048 -4.156 -11.281 1.00 0.00 N ATOM 376 CA GLN A 28 -7.222 -4.823 -11.831 1.00 0.00 C ATOM 377 C GLN A 28 -8.498 -4.315 -11.167 1.00 0.00 C ATOM 378 O GLN A 28 -9.562 -4.282 -11.787 1.00 0.00 O ATOM 379 CB GLN A 28 -7.107 -6.337 -11.649 1.00 0.00 C ATOM 380 CG GLN A 28 -7.493 -6.814 -10.259 1.00 0.00 C ATOM 381 CD GLN A 28 -7.113 -8.261 -10.011 1.00 0.00 C ATOM 382 OE1 GLN A 28 -7.350 -9.130 -10.850 1.00 0.00 O ATOM 383 NE2 GLN A 28 -6.518 -8.527 -8.854 1.00 0.00 N ATOM 0 H GLN A 28 -5.557 -4.689 -10.563 1.00 0.00 H new ATOM 0 HA GLN A 28 -7.272 -4.595 -12.896 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -7.742 -6.832 -12.383 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -6.082 -6.643 -11.857 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -7.008 -6.182 -9.515 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -8.568 -6.697 -10.125 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -6.341 -7.776 -8.187 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -6.238 -9.482 -8.632 1.00 0.00 H new ATOM 392 N TYR A 29 -8.385 -3.921 -9.903 1.00 0.00 N ATOM 393 CA TYR A 29 -9.529 -3.418 -9.154 1.00 0.00 C ATOM 394 C TYR A 29 -9.895 -2.006 -9.601 1.00 0.00 C ATOM 395 O TYR A 29 -11.062 -1.704 -9.849 1.00 0.00 O ATOM 396 CB TYR A 29 -9.228 -3.427 -7.654 1.00 0.00 C ATOM 397 CG TYR A 29 -9.150 -4.816 -7.061 1.00 0.00 C ATOM 398 CD1 TYR A 29 -7.947 -5.510 -7.025 1.00 0.00 C ATOM 399 CD2 TYR A 29 -10.279 -5.434 -6.538 1.00 0.00 C ATOM 400 CE1 TYR A 29 -7.871 -6.779 -6.485 1.00 0.00 C ATOM 401 CE2 TYR A 29 -10.212 -6.702 -5.994 1.00 0.00 C ATOM 402 CZ TYR A 29 -9.005 -7.371 -5.970 1.00 0.00 C ATOM 403 OH TYR A 29 -8.935 -8.635 -5.432 1.00 0.00 O ATOM 0 H TYR A 29 -7.512 -3.941 -9.376 1.00 0.00 H new ATOM 0 HA TYR A 29 -10.377 -4.074 -9.352 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -8.283 -2.912 -7.478 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -10.001 -2.861 -7.133 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -7.056 -5.049 -7.426 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -11.225 -4.914 -6.557 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -6.928 -7.305 -6.466 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -11.099 -7.167 -5.590 1.00 0.00 H new ATOM 0 HH TYR A 29 -9.822 -8.904 -5.113 1.00 0.00 H new ATOM 413 N GLY A 30 -8.887 -1.144 -9.702 1.00 0.00 N ATOM 414 CA GLY A 30 -9.122 0.225 -10.120 1.00 0.00 C ATOM 415 C GLY A 30 -7.846 0.931 -10.536 1.00 0.00 C ATOM 416 O GLY A 30 -6.788 0.309 -10.632 1.00 0.00 O ATOM 0 H GLY A 30 -7.913 -1.370 -9.502 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -9.825 0.232 -10.953 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -9.589 0.776 -9.304 1.00 0.00 H new ATOM 420 N ASP A 31 -7.947 2.232 -10.786 1.00 0.00 N ATOM 421 CA ASP A 31 -6.792 3.023 -11.195 1.00 0.00 C ATOM 422 C ASP A 31 -5.853 3.265 -10.018 1.00 0.00 C ATOM 423 O ASP A 31 -5.896 4.318 -9.382 1.00 0.00 O ATOM 424 CB ASP A 31 -7.245 4.359 -11.785 1.00 0.00 C ATOM 425 CG ASP A 31 -8.390 4.201 -12.766 1.00 0.00 C ATOM 426 OD1 ASP A 31 -8.185 3.564 -13.820 1.00 0.00 O ATOM 427 OD2 ASP A 31 -9.492 4.714 -12.479 1.00 0.00 O ATOM 0 H ASP A 31 -8.816 2.761 -10.713 1.00 0.00 H new ATOM 0 HA ASP A 31 -6.251 2.462 -11.958 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -7.552 5.024 -10.978 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -6.403 4.835 -12.288 1.00 0.00 H new ATOM 432 N VAL A 32 -5.007 2.281 -9.730 1.00 0.00 N ATOM 433 CA VAL A 32 -4.058 2.386 -8.628 1.00 0.00 C ATOM 434 C VAL A 32 -2.948 3.380 -8.952 1.00 0.00 C ATOM 435 O VAL A 32 -1.987 3.048 -9.646 1.00 0.00 O ATOM 436 CB VAL A 32 -3.429 1.020 -8.298 1.00 0.00 C ATOM 437 CG1 VAL A 32 -2.709 0.454 -9.513 1.00 0.00 C ATOM 438 CG2 VAL A 32 -2.478 1.143 -7.116 1.00 0.00 C ATOM 0 H VAL A 32 -4.960 1.402 -10.245 1.00 0.00 H new ATOM 0 HA VAL A 32 -4.616 2.739 -7.761 1.00 0.00 H new ATOM 0 HB VAL A 32 -4.227 0.330 -8.024 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -2.271 -0.512 -9.259 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -3.419 0.327 -10.330 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -1.920 1.140 -9.821 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -2.042 0.168 -6.896 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -1.684 1.849 -7.360 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -3.026 1.500 -6.244 1.00 0.00 H new ATOM 448 N MET A 33 -3.088 4.600 -8.444 1.00 0.00 N ATOM 449 CA MET A 33 -2.095 5.642 -8.678 1.00 0.00 C ATOM 450 C MET A 33 -0.681 5.074 -8.597 1.00 0.00 C ATOM 451 O MET A 33 0.045 5.048 -9.591 1.00 0.00 O ATOM 452 CB MET A 33 -2.262 6.773 -7.660 1.00 0.00 C ATOM 453 CG MET A 33 -3.192 7.880 -8.129 1.00 0.00 C ATOM 454 SD MET A 33 -2.823 9.469 -7.361 1.00 0.00 S ATOM 455 CE MET A 33 -3.497 10.597 -8.578 1.00 0.00 C ATOM 0 H MET A 33 -3.878 4.891 -7.868 1.00 0.00 H new ATOM 0 HA MET A 33 -2.251 6.039 -9.681 1.00 0.00 H new ATOM 0 HB2 MET A 33 -2.645 6.358 -6.728 1.00 0.00 H new ATOM 0 HB3 MET A 33 -1.284 7.200 -7.440 1.00 0.00 H new ATOM 0 HG2 MET A 33 -3.117 7.978 -9.212 1.00 0.00 H new ATOM 0 HG3 MET A 33 -4.222 7.603 -7.905 1.00 0.00 H new ATOM 0 HE1 MET A 33 -3.346 11.624 -8.245 1.00 0.00 H new ATOM 0 HE2 MET A 33 -2.992 10.446 -9.532 1.00 0.00 H new ATOM 0 HE3 MET A 33 -4.564 10.408 -8.698 1.00 0.00 H new ATOM 465 N ASP A 34 -0.297 4.622 -7.409 1.00 0.00 N ATOM 466 CA ASP A 34 1.031 4.055 -7.200 1.00 0.00 C ATOM 467 C ASP A 34 1.088 3.278 -5.888 1.00 0.00 C ATOM 468 O ASP A 34 0.202 3.401 -5.042 1.00 0.00 O ATOM 469 CB ASP A 34 2.087 5.160 -7.199 1.00 0.00 C ATOM 470 CG ASP A 34 3.308 4.793 -8.019 1.00 0.00 C ATOM 471 OD1 ASP A 34 4.144 4.010 -7.520 1.00 0.00 O ATOM 472 OD2 ASP A 34 3.431 5.290 -9.158 1.00 0.00 O ATOM 0 H ASP A 34 -0.885 4.637 -6.576 1.00 0.00 H new ATOM 0 HA ASP A 34 1.239 3.367 -8.019 1.00 0.00 H new ATOM 0 HB2 ASP A 34 1.650 6.077 -7.594 1.00 0.00 H new ATOM 0 HB3 ASP A 34 2.391 5.368 -6.173 1.00 0.00 H new ATOM 477 N VAL A 35 2.138 2.479 -5.724 1.00 0.00 N ATOM 478 CA VAL A 35 2.311 1.682 -4.516 1.00 0.00 C ATOM 479 C VAL A 35 3.676 1.935 -3.883 1.00 0.00 C ATOM 480 O VAL A 35 4.701 1.481 -4.390 1.00 0.00 O ATOM 481 CB VAL A 35 2.165 0.177 -4.809 1.00 0.00 C ATOM 482 CG1 VAL A 35 2.360 -0.635 -3.538 1.00 0.00 C ATOM 483 CG2 VAL A 35 0.810 -0.113 -5.436 1.00 0.00 C ATOM 0 H VAL A 35 2.882 2.367 -6.413 1.00 0.00 H new ATOM 0 HA VAL A 35 1.528 1.986 -3.821 1.00 0.00 H new ATOM 0 HB VAL A 35 2.938 -0.115 -5.520 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.253 -1.696 -3.764 1.00 0.00 H new ATOM 0 HG12 VAL A 35 3.356 -0.448 -3.136 1.00 0.00 H new ATOM 0 HG13 VAL A 35 1.611 -0.344 -2.802 1.00 0.00 H new ATOM 0 HG21 VAL A 35 0.723 -1.181 -5.637 1.00 0.00 H new ATOM 0 HG22 VAL A 35 0.019 0.193 -4.751 1.00 0.00 H new ATOM 0 HG23 VAL A 35 0.715 0.441 -6.370 1.00 0.00 H new ATOM 493 N PHE A 36 3.679 2.663 -2.770 1.00 0.00 N ATOM 494 CA PHE A 36 4.918 2.977 -2.068 1.00 0.00 C ATOM 495 C PHE A 36 4.993 2.230 -0.739 1.00 0.00 C ATOM 496 O PHE A 36 3.969 1.871 -0.159 1.00 0.00 O ATOM 497 CB PHE A 36 5.024 4.485 -1.825 1.00 0.00 C ATOM 498 CG PHE A 36 6.132 4.864 -0.885 1.00 0.00 C ATOM 499 CD1 PHE A 36 7.454 4.813 -1.295 1.00 0.00 C ATOM 500 CD2 PHE A 36 5.851 5.271 0.410 1.00 0.00 C ATOM 501 CE1 PHE A 36 8.476 5.162 -0.432 1.00 0.00 C ATOM 502 CE2 PHE A 36 6.868 5.622 1.276 1.00 0.00 C ATOM 503 CZ PHE A 36 8.183 5.566 0.856 1.00 0.00 C ATOM 0 H PHE A 36 2.839 3.046 -2.336 1.00 0.00 H new ATOM 0 HA PHE A 36 5.752 2.657 -2.693 1.00 0.00 H new ATOM 0 HB2 PHE A 36 5.180 4.989 -2.779 1.00 0.00 H new ATOM 0 HB3 PHE A 36 4.078 4.848 -1.424 1.00 0.00 H new ATOM 0 HD1 PHE A 36 7.689 4.497 -2.301 1.00 0.00 H new ATOM 0 HD2 PHE A 36 4.825 5.314 0.745 1.00 0.00 H new ATOM 0 HE1 PHE A 36 9.503 5.119 -0.765 1.00 0.00 H new ATOM 0 HE2 PHE A 36 6.635 5.940 2.281 1.00 0.00 H new ATOM 0 HZ PHE A 36 8.980 5.837 1.533 1.00 0.00 H new ATOM 513 N ILE A 37 6.213 2.001 -0.265 1.00 0.00 N ATOM 514 CA ILE A 37 6.423 1.298 0.995 1.00 0.00 C ATOM 515 C ILE A 37 7.198 2.162 1.984 1.00 0.00 C ATOM 516 O ILE A 37 8.428 2.224 1.959 1.00 0.00 O ATOM 517 CB ILE A 37 7.180 -0.026 0.782 1.00 0.00 C ATOM 518 CG1 ILE A 37 6.352 -0.979 -0.082 1.00 0.00 C ATOM 519 CG2 ILE A 37 7.512 -0.668 2.120 1.00 0.00 C ATOM 520 CD1 ILE A 37 7.189 -1.962 -0.870 1.00 0.00 C ATOM 0 H ILE A 37 7.071 2.292 -0.734 1.00 0.00 H new ATOM 0 HA ILE A 37 5.436 1.080 1.403 1.00 0.00 H new ATOM 0 HB ILE A 37 8.114 0.187 0.262 1.00 0.00 H new ATOM 0 HG12 ILE A 37 5.664 -1.531 0.558 1.00 0.00 H new ATOM 0 HG13 ILE A 37 5.745 -0.395 -0.774 1.00 0.00 H new ATOM 0 HG21 ILE A 37 8.047 -1.603 1.952 1.00 0.00 H new ATOM 0 HG22 ILE A 37 8.137 0.008 2.703 1.00 0.00 H new ATOM 0 HG23 ILE A 37 6.590 -0.870 2.665 1.00 0.00 H new ATOM 0 HD11 ILE A 37 6.536 -2.606 -1.459 1.00 0.00 H new ATOM 0 HD12 ILE A 37 7.859 -1.418 -1.536 1.00 0.00 H new ATOM 0 HD13 ILE A 37 7.776 -2.572 -0.184 1.00 0.00 H new ATOM 532 N PRO A 38 6.465 2.842 2.878 1.00 0.00 N ATOM 533 CA PRO A 38 7.064 3.712 3.894 1.00 0.00 C ATOM 534 C PRO A 38 7.814 2.924 4.963 1.00 0.00 C ATOM 535 O PRO A 38 7.414 1.819 5.329 1.00 0.00 O ATOM 536 CB PRO A 38 5.856 4.427 4.505 1.00 0.00 C ATOM 537 CG PRO A 38 4.711 3.503 4.270 1.00 0.00 C ATOM 538 CD PRO A 38 4.996 2.813 2.965 1.00 0.00 C ATOM 0 HA PRO A 38 7.805 4.387 3.467 1.00 0.00 H new ATOM 0 HB2 PRO A 38 6.003 4.613 5.569 1.00 0.00 H new ATOM 0 HB3 PRO A 38 5.688 5.395 4.032 1.00 0.00 H new ATOM 0 HG2 PRO A 38 4.620 2.781 5.081 1.00 0.00 H new ATOM 0 HG3 PRO A 38 3.770 4.051 4.224 1.00 0.00 H new ATOM 0 HD2 PRO A 38 4.613 1.793 2.958 1.00 0.00 H new ATOM 0 HD3 PRO A 38 4.533 3.333 2.126 1.00 0.00 H new ATOM 546 N LYS A 39 8.903 3.500 5.460 1.00 0.00 N ATOM 547 CA LYS A 39 9.709 2.853 6.488 1.00 0.00 C ATOM 548 C LYS A 39 9.477 3.501 7.849 1.00 0.00 C ATOM 549 O LYS A 39 9.127 4.677 7.952 1.00 0.00 O ATOM 550 CB LYS A 39 11.193 2.928 6.124 1.00 0.00 C ATOM 551 CG LYS A 39 11.551 2.151 4.868 1.00 0.00 C ATOM 552 CD LYS A 39 11.460 0.652 5.095 1.00 0.00 C ATOM 553 CE LYS A 39 12.186 -0.123 4.005 1.00 0.00 C ATOM 554 NZ LYS A 39 13.536 -0.567 4.447 1.00 0.00 N ATOM 0 H LYS A 39 9.248 4.414 5.167 1.00 0.00 H new ATOM 0 HA LYS A 39 9.407 1.807 6.546 1.00 0.00 H new ATOM 0 HB2 LYS A 39 11.473 3.973 5.987 1.00 0.00 H new ATOM 0 HB3 LYS A 39 11.783 2.547 6.958 1.00 0.00 H new ATOM 0 HG2 LYS A 39 10.881 2.439 4.058 1.00 0.00 H new ATOM 0 HG3 LYS A 39 12.562 2.412 4.554 1.00 0.00 H new ATOM 0 HD2 LYS A 39 11.888 0.404 6.066 1.00 0.00 H new ATOM 0 HD3 LYS A 39 10.413 0.350 5.122 1.00 0.00 H new ATOM 0 HE2 LYS A 39 11.593 -0.992 3.721 1.00 0.00 H new ATOM 0 HE3 LYS A 39 12.282 0.502 3.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 13.998 -1.091 3.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 14.111 0.264 4.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 13.443 -1.184 5.279 1.00 0.00 H new ATOM 568 N PRO A 40 9.676 2.718 8.920 1.00 0.00 N ATOM 569 CA PRO A 40 10.092 1.317 8.810 1.00 0.00 C ATOM 570 C PRO A 40 8.990 0.429 8.243 1.00 0.00 C ATOM 571 O PRO A 40 7.860 0.438 8.729 1.00 0.00 O ATOM 572 CB PRO A 40 10.405 0.926 10.256 1.00 0.00 C ATOM 573 CG PRO A 40 9.579 1.848 11.085 1.00 0.00 C ATOM 574 CD PRO A 40 9.510 3.141 10.321 1.00 0.00 C ATOM 0 HA PRO A 40 10.934 1.193 8.129 1.00 0.00 H new ATOM 0 HB2 PRO A 40 10.149 -0.116 10.449 1.00 0.00 H new ATOM 0 HB3 PRO A 40 11.467 1.040 10.476 1.00 0.00 H new ATOM 0 HG2 PRO A 40 8.582 1.438 11.249 1.00 0.00 H new ATOM 0 HG3 PRO A 40 10.028 1.998 12.067 1.00 0.00 H new ATOM 0 HD2 PRO A 40 8.559 3.650 10.477 1.00 0.00 H new ATOM 0 HD3 PRO A 40 10.295 3.832 10.628 1.00 0.00 H new ATOM 582 N PHE A 41 9.328 -0.340 7.212 1.00 0.00 N ATOM 583 CA PHE A 41 8.367 -1.235 6.579 1.00 0.00 C ATOM 584 C PHE A 41 8.082 -2.443 7.467 1.00 0.00 C ATOM 585 O PHE A 41 8.876 -3.382 7.528 1.00 0.00 O ATOM 586 CB PHE A 41 8.890 -1.700 5.219 1.00 0.00 C ATOM 587 CG PHE A 41 8.344 -3.031 4.789 1.00 0.00 C ATOM 588 CD1 PHE A 41 7.005 -3.173 4.465 1.00 0.00 C ATOM 589 CD2 PHE A 41 9.171 -4.140 4.710 1.00 0.00 C ATOM 590 CE1 PHE A 41 6.500 -4.398 4.070 1.00 0.00 C ATOM 591 CE2 PHE A 41 8.672 -5.368 4.315 1.00 0.00 C ATOM 592 CZ PHE A 41 7.334 -5.496 3.994 1.00 0.00 C ATOM 0 H PHE A 41 10.260 -0.361 6.798 1.00 0.00 H new ATOM 0 HA PHE A 41 7.437 -0.685 6.434 1.00 0.00 H new ATOM 0 HB2 PHE A 41 8.637 -0.953 4.467 1.00 0.00 H new ATOM 0 HB3 PHE A 41 9.978 -1.758 5.258 1.00 0.00 H new ATOM 0 HD1 PHE A 41 6.348 -2.318 4.521 1.00 0.00 H new ATOM 0 HD2 PHE A 41 10.217 -4.044 4.960 1.00 0.00 H new ATOM 0 HE1 PHE A 41 5.454 -4.496 3.821 1.00 0.00 H new ATOM 0 HE2 PHE A 41 9.327 -6.225 4.258 1.00 0.00 H new ATOM 0 HZ PHE A 41 6.941 -6.453 3.684 1.00 0.00 H new ATOM 602 N ARG A 42 6.944 -2.410 8.152 1.00 0.00 N ATOM 603 CA ARG A 42 6.554 -3.501 9.038 1.00 0.00 C ATOM 604 C ARG A 42 5.433 -4.330 8.419 1.00 0.00 C ATOM 605 O ARG A 42 4.259 -4.139 8.737 1.00 0.00 O ATOM 606 CB ARG A 42 6.108 -2.950 10.394 1.00 0.00 C ATOM 607 CG ARG A 42 6.637 -3.744 11.578 1.00 0.00 C ATOM 608 CD ARG A 42 5.873 -3.421 12.851 1.00 0.00 C ATOM 609 NE ARG A 42 5.521 -4.627 13.599 1.00 0.00 N ATOM 610 CZ ARG A 42 4.504 -5.418 13.280 1.00 0.00 C ATOM 611 NH1 ARG A 42 3.741 -5.135 12.233 1.00 0.00 N ATOM 612 NH2 ARG A 42 4.248 -6.497 14.009 1.00 0.00 N ATOM 0 H ARG A 42 6.276 -1.640 8.111 1.00 0.00 H new ATOM 0 HA ARG A 42 7.421 -4.146 9.183 1.00 0.00 H new ATOM 0 HB2 ARG A 42 6.440 -1.916 10.483 1.00 0.00 H new ATOM 0 HB3 ARG A 42 5.019 -2.939 10.432 1.00 0.00 H new ATOM 0 HG2 ARG A 42 6.559 -4.810 11.366 1.00 0.00 H new ATOM 0 HG3 ARG A 42 7.695 -3.524 11.722 1.00 0.00 H new ATOM 0 HD2 ARG A 42 6.477 -2.767 13.480 1.00 0.00 H new ATOM 0 HD3 ARG A 42 4.965 -2.872 12.600 1.00 0.00 H new ATOM 0 HE ARG A 42 6.088 -4.874 14.410 1.00 0.00 H new ATOM 0 HH11 ARG A 42 3.935 -4.307 11.670 1.00 0.00 H new ATOM 0 HH12 ARG A 42 2.960 -5.745 11.991 1.00 0.00 H new ATOM 0 HH21 ARG A 42 4.833 -6.719 14.815 1.00 0.00 H new ATOM 0 HH22 ARG A 42 3.466 -7.105 13.764 1.00 0.00 H new ATOM 626 N ALA A 43 5.802 -5.249 7.534 1.00 0.00 N ATOM 627 CA ALA A 43 4.828 -6.107 6.871 1.00 0.00 C ATOM 628 C ALA A 43 3.574 -5.326 6.495 1.00 0.00 C ATOM 629 O ALA A 43 2.454 -5.804 6.678 1.00 0.00 O ATOM 630 CB ALA A 43 4.470 -7.286 7.764 1.00 0.00 C ATOM 0 H ALA A 43 6.769 -5.419 7.259 1.00 0.00 H new ATOM 0 HA ALA A 43 5.278 -6.484 5.953 1.00 0.00 H new ATOM 0 HB1 ALA A 43 3.742 -7.919 7.257 1.00 0.00 H new ATOM 0 HB2 ALA A 43 5.368 -7.866 7.978 1.00 0.00 H new ATOM 0 HB3 ALA A 43 4.044 -6.919 8.698 1.00 0.00 H new ATOM 636 N PHE A 44 3.768 -4.121 5.968 1.00 0.00 N ATOM 637 CA PHE A 44 2.652 -3.273 5.568 1.00 0.00 C ATOM 638 C PHE A 44 3.106 -2.213 4.568 1.00 0.00 C ATOM 639 O PHE A 44 4.197 -1.658 4.687 1.00 0.00 O ATOM 640 CB PHE A 44 2.031 -2.599 6.793 1.00 0.00 C ATOM 641 CG PHE A 44 2.668 -1.285 7.143 1.00 0.00 C ATOM 642 CD1 PHE A 44 2.473 -0.171 6.343 1.00 0.00 C ATOM 643 CD2 PHE A 44 3.463 -1.164 8.272 1.00 0.00 C ATOM 644 CE1 PHE A 44 3.058 1.040 6.662 1.00 0.00 C ATOM 645 CE2 PHE A 44 4.050 0.045 8.596 1.00 0.00 C ATOM 646 CZ PHE A 44 3.848 1.148 7.789 1.00 0.00 C ATOM 0 H PHE A 44 4.688 -3.710 5.808 1.00 0.00 H new ATOM 0 HA PHE A 44 1.903 -3.904 5.089 1.00 0.00 H new ATOM 0 HB2 PHE A 44 0.968 -2.441 6.611 1.00 0.00 H new ATOM 0 HB3 PHE A 44 2.111 -3.271 7.647 1.00 0.00 H new ATOM 0 HD1 PHE A 44 1.857 -0.250 5.460 1.00 0.00 H new ATOM 0 HD2 PHE A 44 3.626 -2.024 8.905 1.00 0.00 H new ATOM 0 HE1 PHE A 44 2.897 1.901 6.030 1.00 0.00 H new ATOM 0 HE2 PHE A 44 4.666 0.127 9.479 1.00 0.00 H new ATOM 0 HZ PHE A 44 4.307 2.093 8.039 1.00 0.00 H new ATOM 656 N ALA A 45 2.260 -1.941 3.579 1.00 0.00 N ATOM 657 CA ALA A 45 2.573 -0.948 2.558 1.00 0.00 C ATOM 658 C ALA A 45 1.472 0.102 2.459 1.00 0.00 C ATOM 659 O ALA A 45 0.381 -0.072 3.004 1.00 0.00 O ATOM 660 CB ALA A 45 2.781 -1.625 1.212 1.00 0.00 C ATOM 0 H ALA A 45 1.353 -2.394 3.463 1.00 0.00 H new ATOM 0 HA ALA A 45 3.495 -0.444 2.846 1.00 0.00 H new ATOM 0 HB1 ALA A 45 3.014 -0.873 0.458 1.00 0.00 H new ATOM 0 HB2 ALA A 45 3.606 -2.333 1.285 1.00 0.00 H new ATOM 0 HB3 ALA A 45 1.872 -2.155 0.927 1.00 0.00 H new ATOM 666 N PHE A 46 1.765 1.195 1.762 1.00 0.00 N ATOM 667 CA PHE A 46 0.801 2.276 1.594 1.00 0.00 C ATOM 668 C PHE A 46 0.493 2.505 0.117 1.00 0.00 C ATOM 669 O PHE A 46 1.236 3.189 -0.585 1.00 0.00 O ATOM 670 CB PHE A 46 1.333 3.566 2.221 1.00 0.00 C ATOM 671 CG PHE A 46 0.425 4.747 2.028 1.00 0.00 C ATOM 672 CD1 PHE A 46 -0.735 4.873 2.774 1.00 0.00 C ATOM 673 CD2 PHE A 46 0.731 5.727 1.099 1.00 0.00 C ATOM 674 CE1 PHE A 46 -1.574 5.959 2.599 1.00 0.00 C ATOM 675 CE2 PHE A 46 -0.103 6.815 0.919 1.00 0.00 C ATOM 676 CZ PHE A 46 -1.257 6.930 1.669 1.00 0.00 C ATOM 0 H PHE A 46 2.662 1.355 1.304 1.00 0.00 H new ATOM 0 HA PHE A 46 -0.121 1.988 2.100 1.00 0.00 H new ATOM 0 HB2 PHE A 46 1.485 3.406 3.288 1.00 0.00 H new ATOM 0 HB3 PHE A 46 2.308 3.794 1.791 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -0.987 4.115 3.501 1.00 0.00 H new ATOM 0 HD2 PHE A 46 1.631 5.641 0.508 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -2.475 6.047 3.188 1.00 0.00 H new ATOM 0 HE2 PHE A 46 0.148 7.574 0.193 1.00 0.00 H new ATOM 0 HZ PHE A 46 -1.911 7.778 1.529 1.00 0.00 H new ATOM 686 N VAL A 47 -0.610 1.926 -0.348 1.00 0.00 N ATOM 687 CA VAL A 47 -1.018 2.067 -1.741 1.00 0.00 C ATOM 688 C VAL A 47 -1.921 3.280 -1.930 1.00 0.00 C ATOM 689 O VAL A 47 -2.736 3.603 -1.064 1.00 0.00 O ATOM 690 CB VAL A 47 -1.756 0.810 -2.239 1.00 0.00 C ATOM 691 CG1 VAL A 47 -2.519 1.110 -3.520 1.00 0.00 C ATOM 692 CG2 VAL A 47 -0.776 -0.335 -2.449 1.00 0.00 C ATOM 0 H VAL A 47 -1.237 1.355 0.219 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.107 2.201 -2.325 1.00 0.00 H new ATOM 0 HB VAL A 47 -2.476 0.508 -1.478 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.034 0.210 -3.856 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -3.249 1.897 -3.333 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.821 1.438 -4.291 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -1.315 -1.215 -2.801 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -0.031 -0.045 -3.190 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -0.279 -0.566 -1.507 1.00 0.00 H new ATOM 702 N THR A 48 -1.772 3.951 -3.068 1.00 0.00 N ATOM 703 CA THR A 48 -2.573 5.130 -3.370 1.00 0.00 C ATOM 704 C THR A 48 -3.493 4.879 -4.560 1.00 0.00 C ATOM 705 O THR A 48 -3.079 4.307 -5.568 1.00 0.00 O ATOM 706 CB THR A 48 -1.683 6.351 -3.673 1.00 0.00 C ATOM 707 OG1 THR A 48 -0.882 6.668 -2.529 1.00 0.00 O ATOM 708 CG2 THR A 48 -2.530 7.555 -4.055 1.00 0.00 C ATOM 0 H THR A 48 -1.104 3.698 -3.796 1.00 0.00 H new ATOM 0 HA THR A 48 -3.175 5.338 -2.486 1.00 0.00 H new ATOM 0 HB THR A 48 -1.034 6.102 -4.513 1.00 0.00 H new ATOM 0 HG1 THR A 48 -0.318 7.444 -2.729 1.00 0.00 H new ATOM 0 HG21 THR A 48 -1.881 8.405 -4.264 1.00 0.00 H new ATOM 0 HG22 THR A 48 -3.117 7.320 -4.943 1.00 0.00 H new ATOM 0 HG23 THR A 48 -3.200 7.804 -3.232 1.00 0.00 H new ATOM 716 N PHE A 49 -4.744 5.311 -4.437 1.00 0.00 N ATOM 717 CA PHE A 49 -5.723 5.134 -5.502 1.00 0.00 C ATOM 718 C PHE A 49 -6.196 6.482 -6.037 1.00 0.00 C ATOM 719 O PHE A 49 -6.387 7.431 -5.277 1.00 0.00 O ATOM 720 CB PHE A 49 -6.919 4.326 -4.995 1.00 0.00 C ATOM 721 CG PHE A 49 -6.642 2.854 -4.877 1.00 0.00 C ATOM 722 CD1 PHE A 49 -6.486 2.071 -6.010 1.00 0.00 C ATOM 723 CD2 PHE A 49 -6.536 2.253 -3.633 1.00 0.00 C ATOM 724 CE1 PHE A 49 -6.230 0.718 -5.905 1.00 0.00 C ATOM 725 CE2 PHE A 49 -6.281 0.899 -3.522 1.00 0.00 C ATOM 726 CZ PHE A 49 -6.129 0.130 -4.659 1.00 0.00 C ATOM 0 H PHE A 49 -5.103 5.787 -3.609 1.00 0.00 H new ATOM 0 HA PHE A 49 -5.243 4.589 -6.315 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -7.220 4.710 -4.020 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -7.761 4.476 -5.671 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -6.566 2.525 -6.987 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -6.654 2.849 -2.740 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -6.109 0.120 -6.796 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -6.201 0.443 -2.546 1.00 0.00 H new ATOM 0 HZ PHE A 49 -5.932 -0.928 -4.574 1.00 0.00 H new ATOM 736 N ALA A 50 -6.381 6.559 -7.351 1.00 0.00 N ATOM 737 CA ALA A 50 -6.832 7.790 -7.988 1.00 0.00 C ATOM 738 C ALA A 50 -8.270 8.115 -7.596 1.00 0.00 C ATOM 739 O ALA A 50 -8.745 9.230 -7.812 1.00 0.00 O ATOM 740 CB ALA A 50 -6.709 7.677 -9.501 1.00 0.00 C ATOM 0 H ALA A 50 -6.225 5.783 -7.995 1.00 0.00 H new ATOM 0 HA ALA A 50 -6.195 8.604 -7.642 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -7.049 8.603 -9.964 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -5.668 7.499 -9.769 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -7.322 6.848 -9.855 1.00 0.00 H new ATOM 746 N ASP A 51 -8.957 7.135 -7.021 1.00 0.00 N ATOM 747 CA ASP A 51 -10.341 7.318 -6.598 1.00 0.00 C ATOM 748 C ASP A 51 -10.539 6.841 -5.163 1.00 0.00 C ATOM 749 O ASP A 51 -10.339 5.665 -4.856 1.00 0.00 O ATOM 750 CB ASP A 51 -11.286 6.564 -7.535 1.00 0.00 C ATOM 751 CG ASP A 51 -12.156 7.497 -8.354 1.00 0.00 C ATOM 752 OD1 ASP A 51 -13.074 8.113 -7.775 1.00 0.00 O ATOM 753 OD2 ASP A 51 -11.919 7.610 -9.575 1.00 0.00 O ATOM 0 H ASP A 51 -8.579 6.206 -6.837 1.00 0.00 H new ATOM 0 HA ASP A 51 -10.571 8.383 -6.642 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -10.702 5.934 -8.206 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -11.922 5.901 -6.948 1.00 0.00 H new ATOM 758 N ASP A 52 -10.932 7.759 -4.288 1.00 0.00 N ATOM 759 CA ASP A 52 -11.156 7.433 -2.885 1.00 0.00 C ATOM 760 C ASP A 52 -12.191 6.322 -2.745 1.00 0.00 C ATOM 761 O ASP A 52 -12.132 5.520 -1.813 1.00 0.00 O ATOM 762 CB ASP A 52 -11.616 8.674 -2.117 1.00 0.00 C ATOM 763 CG ASP A 52 -13.082 8.985 -2.344 1.00 0.00 C ATOM 764 OD1 ASP A 52 -13.925 8.441 -1.600 1.00 0.00 O ATOM 765 OD2 ASP A 52 -13.387 9.772 -3.265 1.00 0.00 O ATOM 0 H ASP A 52 -11.102 8.736 -4.526 1.00 0.00 H new ATOM 0 HA ASP A 52 -10.213 7.084 -2.464 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -11.440 8.524 -1.052 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -11.014 9.530 -2.422 1.00 0.00 H new ATOM 770 N GLN A 53 -13.139 6.281 -3.677 1.00 0.00 N ATOM 771 CA GLN A 53 -14.187 5.268 -3.654 1.00 0.00 C ATOM 772 C GLN A 53 -13.598 3.871 -3.811 1.00 0.00 C ATOM 773 O GLN A 53 -14.129 2.899 -3.274 1.00 0.00 O ATOM 774 CB GLN A 53 -15.205 5.533 -4.767 1.00 0.00 C ATOM 775 CG GLN A 53 -16.076 6.752 -4.514 1.00 0.00 C ATOM 776 CD GLN A 53 -17.366 6.723 -5.314 1.00 0.00 C ATOM 777 OE1 GLN A 53 -17.393 7.105 -6.483 1.00 0.00 O ATOM 778 NE2 GLN A 53 -18.442 6.267 -4.683 1.00 0.00 N ATOM 0 H GLN A 53 -13.202 6.937 -4.456 1.00 0.00 H new ATOM 0 HA GLN A 53 -14.690 5.323 -2.689 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -14.674 5.665 -5.710 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -15.844 4.657 -4.880 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -16.313 6.811 -3.452 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -15.516 7.653 -4.766 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -18.373 5.961 -3.713 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -19.338 6.223 -5.169 1.00 0.00 H new ATOM 787 N ILE A 54 -12.498 3.777 -4.551 1.00 0.00 N ATOM 788 CA ILE A 54 -11.836 2.498 -4.777 1.00 0.00 C ATOM 789 C ILE A 54 -11.212 1.967 -3.491 1.00 0.00 C ATOM 790 O ILE A 54 -11.340 0.786 -3.168 1.00 0.00 O ATOM 791 CB ILE A 54 -10.743 2.613 -5.856 1.00 0.00 C ATOM 792 CG1 ILE A 54 -11.353 3.064 -7.184 1.00 0.00 C ATOM 793 CG2 ILE A 54 -10.022 1.283 -6.022 1.00 0.00 C ATOM 794 CD1 ILE A 54 -10.322 3.457 -8.220 1.00 0.00 C ATOM 0 H ILE A 54 -12.047 4.571 -5.004 1.00 0.00 H new ATOM 0 HA ILE A 54 -12.602 1.802 -5.120 1.00 0.00 H new ATOM 0 HB ILE A 54 -10.016 3.361 -5.539 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -11.969 2.259 -7.584 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -12.014 3.911 -7.002 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -9.252 1.379 -6.788 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -9.560 0.999 -5.077 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -10.737 0.516 -6.321 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -10.826 3.766 -9.136 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -9.721 4.283 -7.840 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -9.675 2.605 -8.431 1.00 0.00 H new ATOM 806 N ALA A 55 -10.537 2.847 -2.759 1.00 0.00 N ATOM 807 CA ALA A 55 -9.896 2.469 -1.506 1.00 0.00 C ATOM 808 C ALA A 55 -10.927 2.283 -0.397 1.00 0.00 C ATOM 809 O ALA A 55 -10.805 1.377 0.427 1.00 0.00 O ATOM 810 CB ALA A 55 -8.867 3.515 -1.103 1.00 0.00 C ATOM 0 H ALA A 55 -10.420 3.828 -3.013 1.00 0.00 H new ATOM 0 HA ALA A 55 -9.389 1.516 -1.658 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -8.396 3.220 -0.165 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.108 3.597 -1.881 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -9.359 4.479 -0.974 1.00 0.00 H new ATOM 816 N GLN A 56 -11.937 3.145 -0.383 1.00 0.00 N ATOM 817 CA GLN A 56 -12.987 3.075 0.626 1.00 0.00 C ATOM 818 C GLN A 56 -13.716 1.737 0.561 1.00 0.00 C ATOM 819 O GLN A 56 -13.840 1.037 1.566 1.00 0.00 O ATOM 820 CB GLN A 56 -13.983 4.220 0.438 1.00 0.00 C ATOM 821 CG GLN A 56 -13.875 5.302 1.500 1.00 0.00 C ATOM 822 CD GLN A 56 -15.217 5.665 2.102 1.00 0.00 C ATOM 823 OE1 GLN A 56 -16.267 5.393 1.518 1.00 0.00 O ATOM 824 NE2 GLN A 56 -15.191 6.283 3.277 1.00 0.00 N ATOM 0 H GLN A 56 -12.051 3.900 -1.059 1.00 0.00 H new ATOM 0 HA GLN A 56 -12.519 3.167 1.606 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -13.827 4.669 -0.543 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -14.995 3.815 0.446 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -13.206 4.964 2.291 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -13.425 6.193 1.061 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -14.298 6.489 3.725 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -16.064 6.552 3.731 1.00 0.00 H new ATOM 833 N SER A 57 -14.197 1.387 -0.628 1.00 0.00 N ATOM 834 CA SER A 57 -14.918 0.134 -0.823 1.00 0.00 C ATOM 835 C SER A 57 -14.027 -1.062 -0.498 1.00 0.00 C ATOM 836 O SER A 57 -14.512 -2.123 -0.107 1.00 0.00 O ATOM 837 CB SER A 57 -15.424 0.031 -2.263 1.00 0.00 C ATOM 838 OG SER A 57 -16.495 -0.890 -2.362 1.00 0.00 O ATOM 0 H SER A 57 -14.100 1.953 -1.471 1.00 0.00 H new ATOM 0 HA SER A 57 -15.771 0.125 -0.144 1.00 0.00 H new ATOM 0 HB2 SER A 57 -15.751 1.012 -2.608 1.00 0.00 H new ATOM 0 HB3 SER A 57 -14.610 -0.282 -2.916 1.00 0.00 H new ATOM 0 HG SER A 57 -16.802 -0.937 -3.292 1.00 0.00 H new ATOM 844 N LEU A 58 -12.721 -0.880 -0.662 1.00 0.00 N ATOM 845 CA LEU A 58 -11.761 -1.942 -0.387 1.00 0.00 C ATOM 846 C LEU A 58 -11.520 -2.084 1.113 1.00 0.00 C ATOM 847 O LEU A 58 -11.039 -3.117 1.579 1.00 0.00 O ATOM 848 CB LEU A 58 -10.438 -1.659 -1.102 1.00 0.00 C ATOM 849 CG LEU A 58 -10.271 -2.298 -2.481 1.00 0.00 C ATOM 850 CD1 LEU A 58 -8.929 -1.917 -3.087 1.00 0.00 C ATOM 851 CD2 LEU A 58 -10.405 -3.811 -2.388 1.00 0.00 C ATOM 0 H LEU A 58 -12.303 -0.007 -0.984 1.00 0.00 H new ATOM 0 HA LEU A 58 -12.176 -2.878 -0.760 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -10.329 -0.580 -1.208 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -9.623 -2.001 -0.464 1.00 0.00 H new ATOM 0 HG LEU A 58 -11.061 -1.922 -3.132 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -8.828 -2.381 -4.068 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -8.871 -0.833 -3.190 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -8.125 -2.263 -2.437 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -10.283 -4.249 -3.379 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -9.638 -4.204 -1.721 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -11.390 -4.066 -1.997 1.00 0.00 H new ATOM 863 N CYS A 59 -11.860 -1.041 1.862 1.00 0.00 N ATOM 864 CA CYS A 59 -11.683 -1.050 3.309 1.00 0.00 C ATOM 865 C CYS A 59 -12.590 -2.088 3.962 1.00 0.00 C ATOM 866 O CYS A 59 -13.815 -1.982 3.903 1.00 0.00 O ATOM 867 CB CYS A 59 -11.975 0.336 3.888 1.00 0.00 C ATOM 868 SG CYS A 59 -10.886 1.639 3.267 1.00 0.00 S ATOM 0 H CYS A 59 -12.260 -0.179 1.491 1.00 0.00 H new ATOM 0 HA CYS A 59 -10.647 -1.314 3.522 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -13.008 0.602 3.663 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -11.887 0.290 4.974 1.00 0.00 H new ATOM 0 HG CYS A 59 -10.507 1.348 2.058 1.00 0.00 H new ATOM 874 N GLY A 60 -11.980 -3.093 4.584 1.00 0.00 N ATOM 875 CA GLY A 60 -12.748 -4.137 5.237 1.00 0.00 C ATOM 876 C GLY A 60 -12.883 -5.380 4.380 1.00 0.00 C ATOM 877 O GLY A 60 -13.641 -6.290 4.711 1.00 0.00 O ATOM 0 H GLY A 60 -10.968 -3.202 4.647 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -12.269 -4.400 6.180 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -13.740 -3.757 5.479 1.00 0.00 H new ATOM 881 N GLU A 61 -12.144 -5.418 3.275 1.00 0.00 N ATOM 882 CA GLU A 61 -12.188 -6.558 2.367 1.00 0.00 C ATOM 883 C GLU A 61 -10.915 -7.392 2.480 1.00 0.00 C ATOM 884 O GLU A 61 -9.812 -6.851 2.573 1.00 0.00 O ATOM 885 CB GLU A 61 -12.374 -6.083 0.924 1.00 0.00 C ATOM 886 CG GLU A 61 -13.529 -5.112 0.748 1.00 0.00 C ATOM 887 CD GLU A 61 -14.259 -5.308 -0.567 1.00 0.00 C ATOM 888 OE1 GLU A 61 -13.959 -6.295 -1.270 1.00 0.00 O ATOM 889 OE2 GLU A 61 -15.129 -4.474 -0.892 1.00 0.00 O ATOM 0 H GLU A 61 -11.509 -4.673 2.988 1.00 0.00 H new ATOM 0 HA GLU A 61 -13.037 -7.181 2.648 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -11.454 -5.606 0.586 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -12.538 -6.949 0.283 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -14.232 -5.236 1.572 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -13.152 -4.091 0.802 1.00 0.00 H new ATOM 896 N ASP A 62 -11.075 -8.710 2.470 1.00 0.00 N ATOM 897 CA ASP A 62 -9.939 -9.619 2.570 1.00 0.00 C ATOM 898 C ASP A 62 -9.516 -10.115 1.190 1.00 0.00 C ATOM 899 O ASP A 62 -10.279 -10.794 0.501 1.00 0.00 O ATOM 900 CB ASP A 62 -10.287 -10.808 3.467 1.00 0.00 C ATOM 901 CG ASP A 62 -10.306 -10.437 4.938 1.00 0.00 C ATOM 902 OD1 ASP A 62 -9.609 -9.472 5.315 1.00 0.00 O ATOM 903 OD2 ASP A 62 -11.017 -11.112 5.710 1.00 0.00 O ATOM 0 H ASP A 62 -11.980 -9.173 2.394 1.00 0.00 H new ATOM 0 HA ASP A 62 -9.106 -9.072 3.011 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -11.263 -11.201 3.182 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -9.562 -11.606 3.306 1.00 0.00 H new ATOM 908 N LEU A 63 -8.297 -9.770 0.792 1.00 0.00 N ATOM 909 CA LEU A 63 -7.772 -10.178 -0.506 1.00 0.00 C ATOM 910 C LEU A 63 -6.601 -11.142 -0.341 1.00 0.00 C ATOM 911 O LEU A 63 -5.916 -11.133 0.682 1.00 0.00 O ATOM 912 CB LEU A 63 -7.330 -8.953 -1.308 1.00 0.00 C ATOM 913 CG LEU A 63 -8.198 -7.703 -1.158 1.00 0.00 C ATOM 914 CD1 LEU A 63 -7.527 -6.505 -1.812 1.00 0.00 C ATOM 915 CD2 LEU A 63 -9.578 -7.937 -1.755 1.00 0.00 C ATOM 0 H LEU A 63 -7.653 -9.209 1.350 1.00 0.00 H new ATOM 0 HA LEU A 63 -8.567 -10.691 -1.047 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -6.311 -8.700 -1.015 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -7.300 -9.226 -2.363 1.00 0.00 H new ATOM 0 HG LEU A 63 -8.316 -7.491 -0.095 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -8.159 -5.625 -1.695 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -6.562 -6.324 -1.338 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -7.377 -6.706 -2.873 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -10.182 -7.037 -1.639 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -9.481 -8.175 -2.814 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -10.061 -8.767 -1.240 1.00 0.00 H new ATOM 927 N ILE A 64 -6.376 -11.970 -1.356 1.00 0.00 N ATOM 928 CA ILE A 64 -5.285 -12.937 -1.324 1.00 0.00 C ATOM 929 C ILE A 64 -4.232 -12.612 -2.378 1.00 0.00 C ATOM 930 O ILE A 64 -4.551 -12.419 -3.551 1.00 0.00 O ATOM 931 CB ILE A 64 -5.798 -14.371 -1.553 1.00 0.00 C ATOM 932 CG1 ILE A 64 -6.886 -14.716 -0.535 1.00 0.00 C ATOM 933 CG2 ILE A 64 -4.649 -15.365 -1.466 1.00 0.00 C ATOM 934 CD1 ILE A 64 -6.365 -14.875 0.876 1.00 0.00 C ATOM 0 H ILE A 64 -6.934 -11.991 -2.210 1.00 0.00 H new ATOM 0 HA ILE A 64 -4.836 -12.874 -0.333 1.00 0.00 H new ATOM 0 HB ILE A 64 -6.230 -14.431 -2.552 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -7.645 -13.934 -0.547 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -7.376 -15.641 -0.839 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -5.028 -16.374 -1.630 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -3.905 -15.129 -2.227 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -4.190 -15.306 -0.479 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -7.191 -15.119 1.544 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -5.627 -15.677 0.903 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -5.900 -13.944 1.199 1.00 0.00 H new ATOM 946 N ILE A 65 -2.974 -12.555 -1.951 1.00 0.00 N ATOM 947 CA ILE A 65 -1.873 -12.256 -2.858 1.00 0.00 C ATOM 948 C ILE A 65 -0.780 -13.315 -2.763 1.00 0.00 C ATOM 949 O ILE A 65 -0.154 -13.486 -1.717 1.00 0.00 O ATOM 950 CB ILE A 65 -1.260 -10.874 -2.563 1.00 0.00 C ATOM 951 CG1 ILE A 65 -2.334 -9.787 -2.648 1.00 0.00 C ATOM 952 CG2 ILE A 65 -0.125 -10.581 -3.534 1.00 0.00 C ATOM 953 CD1 ILE A 65 -1.853 -8.427 -2.197 1.00 0.00 C ATOM 0 H ILE A 65 -2.693 -12.712 -0.983 1.00 0.00 H new ATOM 0 HA ILE A 65 -2.287 -12.253 -3.866 1.00 0.00 H new ATOM 0 HB ILE A 65 -0.855 -10.880 -1.551 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -2.687 -9.716 -3.677 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -3.188 -10.082 -2.038 1.00 0.00 H new ATOM 0 HG21 ILE A 65 0.299 -9.601 -3.314 1.00 0.00 H new ATOM 0 HG22 ILE A 65 0.648 -11.342 -3.430 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -0.508 -10.589 -4.554 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -2.666 -7.706 -2.284 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -1.527 -8.482 -1.158 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -1.019 -8.110 -2.823 1.00 0.00 H new ATOM 965 N LYS A 66 -0.554 -14.024 -3.864 1.00 0.00 N ATOM 966 CA LYS A 66 0.467 -15.066 -3.907 1.00 0.00 C ATOM 967 C LYS A 66 0.148 -16.180 -2.917 1.00 0.00 C ATOM 968 O LYS A 66 0.965 -17.072 -2.688 1.00 0.00 O ATOM 969 CB LYS A 66 1.843 -14.472 -3.599 1.00 0.00 C ATOM 970 CG LYS A 66 2.322 -13.472 -4.637 1.00 0.00 C ATOM 971 CD LYS A 66 3.833 -13.315 -4.607 1.00 0.00 C ATOM 972 CE LYS A 66 4.525 -14.449 -5.346 1.00 0.00 C ATOM 973 NZ LYS A 66 4.131 -14.498 -6.781 1.00 0.00 N ATOM 0 H LYS A 66 -1.064 -13.897 -4.738 1.00 0.00 H new ATOM 0 HA LYS A 66 0.478 -15.490 -4.911 1.00 0.00 H new ATOM 0 HB2 LYS A 66 1.808 -13.983 -2.625 1.00 0.00 H new ATOM 0 HB3 LYS A 66 2.570 -15.281 -3.524 1.00 0.00 H new ATOM 0 HG2 LYS A 66 2.009 -13.798 -5.629 1.00 0.00 H new ATOM 0 HG3 LYS A 66 1.852 -12.506 -4.456 1.00 0.00 H new ATOM 0 HD2 LYS A 66 4.110 -12.362 -5.059 1.00 0.00 H new ATOM 0 HD3 LYS A 66 4.177 -13.290 -3.573 1.00 0.00 H new ATOM 0 HE2 LYS A 66 5.605 -14.326 -5.270 1.00 0.00 H new ATOM 0 HE3 LYS A 66 4.278 -15.397 -4.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 4.891 -14.943 -7.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 3.257 -15.053 -6.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 3.969 -13.532 -7.130 1.00 0.00 H new ATOM 987 N GLY A 67 -1.045 -16.125 -2.333 1.00 0.00 N ATOM 988 CA GLY A 67 -1.450 -17.136 -1.375 1.00 0.00 C ATOM 989 C GLY A 67 -1.720 -16.559 0.000 1.00 0.00 C ATOM 990 O GLY A 67 -2.548 -17.079 0.747 1.00 0.00 O ATOM 0 H GLY A 67 -1.739 -15.397 -2.507 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -2.348 -17.637 -1.738 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -0.670 -17.894 -1.300 1.00 0.00 H new ATOM 994 N ILE A 68 -1.018 -15.481 0.335 1.00 0.00 N ATOM 995 CA ILE A 68 -1.186 -14.833 1.630 1.00 0.00 C ATOM 996 C ILE A 68 -2.451 -13.984 1.659 1.00 0.00 C ATOM 997 O ILE A 68 -2.983 -13.607 0.615 1.00 0.00 O ATOM 998 CB ILE A 68 0.024 -13.945 1.976 1.00 0.00 C ATOM 999 CG1 ILE A 68 0.018 -12.680 1.115 1.00 0.00 C ATOM 1000 CG2 ILE A 68 1.320 -14.717 1.783 1.00 0.00 C ATOM 1001 CD1 ILE A 68 -0.268 -11.418 1.898 1.00 0.00 C ATOM 0 H ILE A 68 -0.328 -15.038 -0.272 1.00 0.00 H new ATOM 0 HA ILE A 68 -1.267 -15.627 2.373 1.00 0.00 H new ATOM 0 HB ILE A 68 -0.048 -13.650 3.023 1.00 0.00 H new ATOM 0 HG12 ILE A 68 0.985 -12.581 0.622 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -0.730 -12.788 0.330 1.00 0.00 H new ATOM 0 HG21 ILE A 68 2.166 -14.076 2.031 1.00 0.00 H new ATOM 0 HG22 ILE A 68 1.323 -15.591 2.434 1.00 0.00 H new ATOM 0 HG23 ILE A 68 1.401 -15.038 0.745 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -0.257 -10.561 1.224 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -1.248 -11.496 2.369 1.00 0.00 H new ATOM 0 HD13 ILE A 68 0.494 -11.286 2.666 1.00 0.00 H new ATOM 1013 N SER A 69 -2.929 -13.685 2.864 1.00 0.00 N ATOM 1014 CA SER A 69 -4.134 -12.881 3.030 1.00 0.00 C ATOM 1015 C SER A 69 -3.818 -11.569 3.743 1.00 0.00 C ATOM 1016 O SER A 69 -3.235 -11.564 4.827 1.00 0.00 O ATOM 1017 CB SER A 69 -5.189 -13.661 3.817 1.00 0.00 C ATOM 1018 OG SER A 69 -6.492 -13.179 3.539 1.00 0.00 O ATOM 0 H SER A 69 -2.500 -13.988 3.739 1.00 0.00 H new ATOM 0 HA SER A 69 -4.527 -12.651 2.040 1.00 0.00 H new ATOM 0 HB2 SER A 69 -5.128 -14.719 3.563 1.00 0.00 H new ATOM 0 HB3 SER A 69 -4.987 -13.577 4.885 1.00 0.00 H new ATOM 0 HG SER A 69 -7.148 -13.695 4.053 1.00 0.00 H new ATOM 1024 N VAL A 70 -4.209 -10.458 3.125 1.00 0.00 N ATOM 1025 CA VAL A 70 -3.968 -9.140 3.701 1.00 0.00 C ATOM 1026 C VAL A 70 -5.280 -8.459 4.079 1.00 0.00 C ATOM 1027 O VAL A 70 -6.346 -8.820 3.579 1.00 0.00 O ATOM 1028 CB VAL A 70 -3.196 -8.235 2.724 1.00 0.00 C ATOM 1029 CG1 VAL A 70 -1.929 -8.926 2.243 1.00 0.00 C ATOM 1030 CG2 VAL A 70 -4.078 -7.843 1.548 1.00 0.00 C ATOM 0 H VAL A 70 -4.693 -10.445 2.227 1.00 0.00 H new ATOM 0 HA VAL A 70 -3.367 -9.290 4.598 1.00 0.00 H new ATOM 0 HB VAL A 70 -2.908 -7.325 3.251 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -1.397 -8.271 1.553 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -1.290 -9.150 3.097 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -2.191 -9.853 1.733 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -3.515 -7.203 0.868 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -4.399 -8.740 1.019 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -4.952 -7.304 1.913 1.00 0.00 H new ATOM 1040 N HIS A 71 -5.192 -7.471 4.963 1.00 0.00 N ATOM 1041 CA HIS A 71 -6.372 -6.737 5.408 1.00 0.00 C ATOM 1042 C HIS A 71 -6.264 -5.261 5.042 1.00 0.00 C ATOM 1043 O HIS A 71 -5.365 -4.560 5.508 1.00 0.00 O ATOM 1044 CB HIS A 71 -6.552 -6.888 6.920 1.00 0.00 C ATOM 1045 CG HIS A 71 -7.650 -6.037 7.480 1.00 0.00 C ATOM 1046 ND1 HIS A 71 -8.901 -6.530 7.787 1.00 0.00 N ATOM 1047 CD2 HIS A 71 -7.680 -4.720 7.789 1.00 0.00 C ATOM 1048 CE1 HIS A 71 -9.653 -5.552 8.260 1.00 0.00 C ATOM 1049 NE2 HIS A 71 -8.936 -4.444 8.272 1.00 0.00 N ATOM 0 H HIS A 71 -4.317 -7.160 5.385 1.00 0.00 H new ATOM 0 HA HIS A 71 -7.242 -7.155 4.902 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -6.760 -7.933 7.150 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -5.616 -6.632 7.416 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -6.868 -4.017 7.677 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -10.680 -5.644 8.582 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -9.262 -3.531 8.589 1.00 0.00 H new ATOM 1057 N ILE A 72 -7.184 -4.796 4.204 1.00 0.00 N ATOM 1058 CA ILE A 72 -7.191 -3.402 3.775 1.00 0.00 C ATOM 1059 C ILE A 72 -7.854 -2.510 4.818 1.00 0.00 C ATOM 1060 O ILE A 72 -8.948 -2.807 5.299 1.00 0.00 O ATOM 1061 CB ILE A 72 -7.922 -3.231 2.430 1.00 0.00 C ATOM 1062 CG1 ILE A 72 -7.445 -4.285 1.427 1.00 0.00 C ATOM 1063 CG2 ILE A 72 -7.699 -1.830 1.880 1.00 0.00 C ATOM 1064 CD1 ILE A 72 -5.970 -4.188 1.106 1.00 0.00 C ATOM 0 H ILE A 72 -7.934 -5.363 3.809 1.00 0.00 H new ATOM 0 HA ILE A 72 -6.150 -3.103 3.654 1.00 0.00 H new ATOM 0 HB ILE A 72 -8.991 -3.370 2.594 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -7.658 -5.277 1.826 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -8.017 -4.183 0.505 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -8.222 -1.725 0.929 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -8.083 -1.096 2.588 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -6.632 -1.664 1.728 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -5.702 -4.965 0.390 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -5.754 -3.209 0.678 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -5.389 -4.320 2.019 1.00 0.00 H new ATOM 1076 N SER A 73 -7.186 -1.414 5.163 1.00 0.00 N ATOM 1077 CA SER A 73 -7.709 -0.478 6.150 1.00 0.00 C ATOM 1078 C SER A 73 -7.324 0.956 5.798 1.00 0.00 C ATOM 1079 O SER A 73 -6.528 1.191 4.890 1.00 0.00 O ATOM 1080 CB SER A 73 -7.186 -0.829 7.545 1.00 0.00 C ATOM 1081 OG SER A 73 -8.170 -0.582 8.535 1.00 0.00 O ATOM 0 H SER A 73 -6.281 -1.153 4.773 1.00 0.00 H new ATOM 0 HA SER A 73 -8.796 -0.556 6.146 1.00 0.00 H new ATOM 0 HB2 SER A 73 -6.892 -1.878 7.573 1.00 0.00 H new ATOM 0 HB3 SER A 73 -6.293 -0.242 7.761 1.00 0.00 H new ATOM 0 HG SER A 73 -7.812 -0.816 9.417 1.00 0.00 H new