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= -1.35! K(o=-1.4!,f=-0.43) USER MOD Set 1.2: A 73 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 14 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 17 MET CE :methyl -141:sc= -0.0735 (180deg=-0.67) USER MOD Single : A 13 CYS SG : rot 21:sc= 0.119 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.046 X(o=-0.046,f=-0.4) USER MOD Single : A 29 TYR OH : rot 19:sc= 0.0035 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 -11:sc= 0.0286 USER MOD Single : A 53 GLN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 56 GLN : amide:sc= -0.153 K(o=-0.15,f=-4.4!) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 CYS SG : rot 180:sc= -0.972 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 -5.628 6.700 0.381 1.00 0.00 N ATOM 60 CA GLY A 7 -4.528 5.847 0.789 1.00 0.00 C ATOM 61 C GLY A 7 -4.955 4.786 1.784 1.00 0.00 C ATOM 62 O GLY A 7 -5.591 5.091 2.793 1.00 0.00 O ATOM 0 HA2 GLY A 7 -4.101 5.365 -0.090 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.742 6.459 1.231 1.00 0.00 H new ATOM 66 N VAL A 8 -4.605 3.535 1.500 1.00 0.00 N ATOM 67 CA VAL A 8 -4.957 2.425 2.378 1.00 0.00 C ATOM 68 C VAL A 8 -3.722 1.621 2.768 1.00 0.00 C ATOM 69 O VAL A 8 -2.830 1.397 1.949 1.00 0.00 O ATOM 70 CB VAL A 8 -5.979 1.485 1.712 1.00 0.00 C ATOM 71 CG1 VAL A 8 -7.344 2.151 1.631 1.00 0.00 C ATOM 72 CG2 VAL A 8 -5.497 1.068 0.330 1.00 0.00 C ATOM 0 H VAL A 8 -4.078 3.265 0.669 1.00 0.00 H new ATOM 0 HA VAL A 8 -5.403 2.858 3.273 1.00 0.00 H new ATOM 0 HB VAL A 8 -6.075 0.588 2.324 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -8.053 1.472 1.158 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -7.690 2.394 2.635 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -7.269 3.065 1.042 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -6.231 0.404 -0.126 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -5.371 1.953 -0.294 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -4.543 0.548 0.419 1.00 0.00 H new ATOM 82 N PHE A 9 -3.677 1.190 4.024 1.00 0.00 N ATOM 83 CA PHE A 9 -2.551 0.409 4.524 1.00 0.00 C ATOM 84 C PHE A 9 -2.801 -1.085 4.344 1.00 0.00 C ATOM 85 O PHE A 9 -3.767 -1.633 4.876 1.00 0.00 O ATOM 86 CB PHE A 9 -2.303 0.722 6.001 1.00 0.00 C ATOM 87 CG PHE A 9 -1.651 2.056 6.231 1.00 0.00 C ATOM 88 CD1 PHE A 9 -0.270 2.176 6.230 1.00 0.00 C ATOM 89 CD2 PHE A 9 -2.419 3.189 6.446 1.00 0.00 C ATOM 90 CE1 PHE A 9 0.331 3.402 6.441 1.00 0.00 C ATOM 91 CE2 PHE A 9 -1.822 4.418 6.657 1.00 0.00 C ATOM 92 CZ PHE A 9 -0.445 4.525 6.653 1.00 0.00 C ATOM 0 H PHE A 9 -4.407 1.368 4.714 1.00 0.00 H new ATOM 0 HA PHE A 9 -1.667 0.682 3.948 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -3.253 0.694 6.534 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -1.675 -0.059 6.429 1.00 0.00 H new ATOM 0 HD1 PHE A 9 0.342 1.302 6.063 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -3.496 3.111 6.449 1.00 0.00 H new ATOM 0 HE1 PHE A 9 1.408 3.482 6.440 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -2.432 5.293 6.825 1.00 0.00 H new ATOM 0 HZ PHE A 9 0.024 5.484 6.815 1.00 0.00 H new ATOM 102 N VAL A 10 -1.925 -1.739 3.589 1.00 0.00 N ATOM 103 CA VAL A 10 -2.049 -3.170 3.339 1.00 0.00 C ATOM 104 C VAL A 10 -1.136 -3.971 4.262 1.00 0.00 C ATOM 105 O VAL A 10 0.014 -4.250 3.926 1.00 0.00 O ATOM 106 CB VAL A 10 -1.711 -3.515 1.877 1.00 0.00 C ATOM 107 CG1 VAL A 10 -1.869 -5.007 1.629 1.00 0.00 C ATOM 108 CG2 VAL A 10 -2.587 -2.713 0.925 1.00 0.00 C ATOM 0 H VAL A 10 -1.121 -1.301 3.139 1.00 0.00 H new ATOM 0 HA VAL A 10 -3.087 -3.437 3.538 1.00 0.00 H new ATOM 0 HB VAL A 10 -0.671 -3.249 1.691 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -1.626 -5.231 0.590 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.197 -5.558 2.286 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -2.898 -5.303 1.832 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -2.335 -2.969 -0.104 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -3.635 -2.947 1.111 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -2.419 -1.648 1.086 1.00 0.00 H new ATOM 118 N GLY A 11 -1.660 -4.338 5.428 1.00 0.00 N ATOM 119 CA GLY A 11 -0.879 -5.104 6.381 1.00 0.00 C ATOM 120 C GLY A 11 -0.687 -6.546 5.950 1.00 0.00 C ATOM 121 O GLY A 11 -1.033 -6.915 4.828 1.00 0.00 O ATOM 0 H GLY A 11 -2.610 -4.119 5.729 1.00 0.00 H new ATOM 0 HA2 GLY A 11 0.096 -4.633 6.508 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -1.373 -5.081 7.352 1.00 0.00 H new ATOM 125 N ARG A 12 -0.132 -7.359 6.842 1.00 0.00 N ATOM 126 CA ARG A 12 0.109 -8.767 6.546 1.00 0.00 C ATOM 127 C ARG A 12 0.850 -8.924 5.221 1.00 0.00 C ATOM 128 O ARG A 12 0.573 -9.842 4.448 1.00 0.00 O ATOM 129 CB ARG A 12 -1.214 -9.532 6.496 1.00 0.00 C ATOM 130 CG ARG A 12 -1.921 -9.616 7.838 1.00 0.00 C ATOM 131 CD ARG A 12 -3.403 -9.906 7.671 1.00 0.00 C ATOM 132 NE ARG A 12 -4.187 -9.425 8.807 1.00 0.00 N ATOM 133 CZ ARG A 12 -4.184 -10.007 10.001 1.00 0.00 C ATOM 134 NH1 ARG A 12 -3.442 -11.085 10.214 1.00 0.00 N ATOM 135 NH2 ARG A 12 -4.924 -9.511 10.984 1.00 0.00 N ATOM 0 H ARG A 12 0.159 -7.068 7.775 1.00 0.00 H new ATOM 0 HA ARG A 12 0.730 -9.179 7.341 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -1.875 -9.050 5.776 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -1.026 -10.541 6.130 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -1.462 -10.398 8.443 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -1.792 -8.678 8.378 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -3.764 -9.435 6.756 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -3.552 -10.980 7.557 1.00 0.00 H new ATOM 0 HE ARG A 12 -4.768 -8.597 8.676 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -2.872 -11.469 9.460 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -3.441 -11.530 11.132 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -5.496 -8.682 10.823 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -4.921 -9.959 11.900 1.00 0.00 H new ATOM 149 N CYS A 13 1.794 -8.024 4.966 1.00 0.00 N ATOM 150 CA CYS A 13 2.575 -8.062 3.735 1.00 0.00 C ATOM 151 C CYS A 13 3.923 -8.737 3.966 1.00 0.00 C ATOM 152 O CYS A 13 4.346 -8.927 5.107 1.00 0.00 O ATOM 153 CB CYS A 13 2.785 -6.647 3.196 1.00 0.00 C ATOM 154 SG CYS A 13 3.262 -6.584 1.453 1.00 0.00 S ATOM 0 H CYS A 13 2.037 -7.259 5.596 1.00 0.00 H new ATOM 0 HA CYS A 13 2.020 -8.644 3.000 1.00 0.00 H new ATOM 0 HB2 CYS A 13 1.865 -6.078 3.331 1.00 0.00 H new ATOM 0 HB3 CYS A 13 3.554 -6.154 3.790 1.00 0.00 H new ATOM 0 HG CYS A 13 2.910 -7.690 0.867 1.00 0.00 H new ATOM 160 N THR A 14 4.592 -9.100 2.877 1.00 0.00 N ATOM 161 CA THR A 14 5.891 -9.755 2.961 1.00 0.00 C ATOM 162 C THR A 14 6.922 -9.046 2.091 1.00 0.00 C ATOM 163 O THR A 14 6.665 -8.743 0.927 1.00 0.00 O ATOM 164 CB THR A 14 5.803 -11.232 2.531 1.00 0.00 C ATOM 165 OG1 THR A 14 5.701 -11.322 1.105 1.00 0.00 O ATOM 166 CG2 THR A 14 4.604 -11.912 3.175 1.00 0.00 C ATOM 0 H THR A 14 4.255 -8.951 1.926 1.00 0.00 H new ATOM 0 HA THR A 14 6.204 -9.705 4.004 1.00 0.00 H new ATOM 0 HB THR A 14 6.709 -11.739 2.862 1.00 0.00 H new ATOM 0 HG1 THR A 14 5.647 -12.264 0.840 1.00 0.00 H new ATOM 0 HG21 THR A 14 4.562 -12.954 2.857 1.00 0.00 H new ATOM 0 HG22 THR A 14 4.700 -11.867 4.260 1.00 0.00 H new ATOM 0 HG23 THR A 14 3.690 -11.403 2.870 1.00 0.00 H new ATOM 174 N GLY A 15 8.093 -8.783 2.665 1.00 0.00 N ATOM 175 CA GLY A 15 9.146 -8.111 1.927 1.00 0.00 C ATOM 176 C GLY A 15 9.251 -8.596 0.496 1.00 0.00 C ATOM 177 O GLY A 15 9.361 -7.794 -0.432 1.00 0.00 O ATOM 0 H GLY A 15 8.330 -9.023 3.627 1.00 0.00 H new ATOM 0 HA2 GLY A 15 8.959 -7.037 1.931 1.00 0.00 H new ATOM 0 HA3 GLY A 15 10.098 -8.271 2.432 1.00 0.00 H new ATOM 181 N ASP A 16 9.219 -9.912 0.314 1.00 0.00 N ATOM 182 CA ASP A 16 9.313 -10.502 -1.017 1.00 0.00 C ATOM 183 C ASP A 16 8.510 -9.690 -2.029 1.00 0.00 C ATOM 184 O ASP A 16 8.998 -9.380 -3.115 1.00 0.00 O ATOM 185 CB ASP A 16 8.813 -11.947 -0.991 1.00 0.00 C ATOM 186 CG ASP A 16 9.306 -12.751 -2.178 1.00 0.00 C ATOM 187 OD1 ASP A 16 10.538 -12.904 -2.320 1.00 0.00 O ATOM 188 OD2 ASP A 16 8.462 -13.228 -2.964 1.00 0.00 O ATOM 0 H ASP A 16 9.129 -10.590 1.071 1.00 0.00 H new ATOM 0 HA ASP A 16 10.360 -10.492 -1.321 1.00 0.00 H new ATOM 0 HB2 ASP A 16 9.143 -12.426 -0.069 1.00 0.00 H new ATOM 0 HB3 ASP A 16 7.723 -11.951 -0.980 1.00 0.00 H new ATOM 193 N MET A 17 7.278 -9.351 -1.664 1.00 0.00 N ATOM 194 CA MET A 17 6.408 -8.575 -2.541 1.00 0.00 C ATOM 195 C MET A 17 7.045 -7.235 -2.891 1.00 0.00 C ATOM 196 O MET A 17 7.778 -6.655 -2.088 1.00 0.00 O ATOM 197 CB MET A 17 5.049 -8.349 -1.877 1.00 0.00 C ATOM 198 CG MET A 17 4.125 -9.554 -1.959 1.00 0.00 C ATOM 199 SD MET A 17 2.593 -9.318 -1.037 1.00 0.00 S ATOM 200 CE MET A 17 2.432 -10.913 -0.237 1.00 0.00 C ATOM 0 H MET A 17 6.860 -9.601 -0.768 1.00 0.00 H new ATOM 0 HA MET A 17 6.264 -9.140 -3.462 1.00 0.00 H new ATOM 0 HB2 MET A 17 5.204 -8.091 -0.829 1.00 0.00 H new ATOM 0 HB3 MET A 17 4.562 -7.495 -2.347 1.00 0.00 H new ATOM 0 HG2 MET A 17 3.888 -9.755 -3.004 1.00 0.00 H new ATOM 0 HG3 MET A 17 4.644 -10.432 -1.575 1.00 0.00 H new ATOM 0 HE1 MET A 17 1.384 -11.214 -0.233 1.00 0.00 H new ATOM 0 HE2 MET A 17 3.020 -11.653 -0.780 1.00 0.00 H new ATOM 0 HE3 MET A 17 2.794 -10.844 0.789 1.00 0.00 H new ATOM 210 N THR A 18 6.762 -6.745 -4.094 1.00 0.00 N ATOM 211 CA THR A 18 7.308 -5.474 -4.550 1.00 0.00 C ATOM 212 C THR A 18 6.208 -4.560 -5.078 1.00 0.00 C ATOM 213 O THR A 18 5.224 -5.026 -5.651 1.00 0.00 O ATOM 214 CB THR A 18 8.363 -5.679 -5.654 1.00 0.00 C ATOM 215 OG1 THR A 18 7.890 -6.632 -6.612 1.00 0.00 O ATOM 216 CG2 THR A 18 9.680 -6.157 -5.062 1.00 0.00 C ATOM 0 H THR A 18 6.157 -7.210 -4.770 1.00 0.00 H new ATOM 0 HA THR A 18 7.782 -5.006 -3.687 1.00 0.00 H new ATOM 0 HB THR A 18 8.532 -4.722 -6.147 1.00 0.00 H new ATOM 0 HG1 THR A 18 8.565 -6.756 -7.311 1.00 0.00 H new ATOM 0 HG21 THR A 18 10.409 -6.295 -5.860 1.00 0.00 H new ATOM 0 HG22 THR A 18 10.052 -5.415 -4.355 1.00 0.00 H new ATOM 0 HG23 THR A 18 9.524 -7.104 -4.546 1.00 0.00 H new ATOM 224 N GLU A 19 6.382 -3.257 -4.880 1.00 0.00 N ATOM 225 CA GLU A 19 5.402 -2.279 -5.338 1.00 0.00 C ATOM 226 C GLU A 19 4.820 -2.681 -6.690 1.00 0.00 C ATOM 227 O GLU A 19 3.653 -2.418 -6.978 1.00 0.00 O ATOM 228 CB GLU A 19 6.041 -0.892 -5.438 1.00 0.00 C ATOM 229 CG GLU A 19 6.424 -0.299 -4.092 1.00 0.00 C ATOM 230 CD GLU A 19 7.580 0.676 -4.193 1.00 0.00 C ATOM 231 OE1 GLU A 19 7.766 1.267 -5.277 1.00 0.00 O ATOM 232 OE2 GLU A 19 8.301 0.849 -3.186 1.00 0.00 O ATOM 0 H GLU A 19 7.191 -2.855 -4.406 1.00 0.00 H new ATOM 0 HA GLU A 19 4.592 -2.247 -4.609 1.00 0.00 H new ATOM 0 HB2 GLU A 19 6.931 -0.956 -6.064 1.00 0.00 H new ATOM 0 HB3 GLU A 19 5.347 -0.217 -5.939 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.560 0.210 -3.664 1.00 0.00 H new ATOM 0 HG3 GLU A 19 6.691 -1.104 -3.407 1.00 0.00 H new ATOM 239 N ASP A 20 5.642 -3.321 -7.514 1.00 0.00 N ATOM 240 CA ASP A 20 5.211 -3.760 -8.835 1.00 0.00 C ATOM 241 C ASP A 20 4.145 -4.846 -8.725 1.00 0.00 C ATOM 242 O ASP A 20 3.092 -4.762 -9.357 1.00 0.00 O ATOM 243 CB ASP A 20 6.404 -4.281 -9.638 1.00 0.00 C ATOM 244 CG ASP A 20 6.731 -3.397 -10.827 1.00 0.00 C ATOM 245 OD1 ASP A 20 6.023 -3.496 -11.851 1.00 0.00 O ATOM 246 OD2 ASP A 20 7.694 -2.609 -10.732 1.00 0.00 O ATOM 0 H ASP A 20 6.611 -3.547 -7.290 1.00 0.00 H new ATOM 0 HA ASP A 20 4.781 -2.903 -9.353 1.00 0.00 H new ATOM 0 HB2 ASP A 20 7.276 -4.347 -8.987 1.00 0.00 H new ATOM 0 HB3 ASP A 20 6.190 -5.291 -9.988 1.00 0.00 H new ATOM 251 N GLU A 21 4.426 -5.866 -7.920 1.00 0.00 N ATOM 252 CA GLU A 21 3.491 -6.969 -7.728 1.00 0.00 C ATOM 253 C GLU A 21 2.124 -6.453 -7.290 1.00 0.00 C ATOM 254 O GLU A 21 1.116 -6.688 -7.958 1.00 0.00 O ATOM 255 CB GLU A 21 4.034 -7.953 -6.691 1.00 0.00 C ATOM 256 CG GLU A 21 5.365 -8.576 -7.080 1.00 0.00 C ATOM 257 CD GLU A 21 5.224 -10.016 -7.532 1.00 0.00 C ATOM 258 OE1 GLU A 21 4.415 -10.751 -6.927 1.00 0.00 O ATOM 259 OE2 GLU A 21 5.921 -10.409 -8.490 1.00 0.00 O ATOM 0 H GLU A 21 5.293 -5.952 -7.390 1.00 0.00 H new ATOM 0 HA GLU A 21 3.377 -7.485 -8.681 1.00 0.00 H new ATOM 0 HB2 GLU A 21 4.149 -7.437 -5.738 1.00 0.00 H new ATOM 0 HB3 GLU A 21 3.302 -8.746 -6.537 1.00 0.00 H new ATOM 0 HG2 GLU A 21 5.816 -7.990 -7.881 1.00 0.00 H new ATOM 0 HG3 GLU A 21 6.046 -8.531 -6.230 1.00 0.00 H new ATOM 266 N LEU A 22 2.097 -5.749 -6.164 1.00 0.00 N ATOM 267 CA LEU A 22 0.853 -5.201 -5.635 1.00 0.00 C ATOM 268 C LEU A 22 0.212 -4.243 -6.634 1.00 0.00 C ATOM 269 O LEU A 22 -0.993 -4.305 -6.882 1.00 0.00 O ATOM 270 CB LEU A 22 1.115 -4.475 -4.313 1.00 0.00 C ATOM 271 CG LEU A 22 1.749 -5.312 -3.202 1.00 0.00 C ATOM 272 CD1 LEU A 22 2.551 -4.429 -2.260 1.00 0.00 C ATOM 273 CD2 LEU A 22 0.681 -6.080 -2.437 1.00 0.00 C ATOM 0 H LEU A 22 2.922 -5.544 -5.600 1.00 0.00 H new ATOM 0 HA LEU A 22 0.165 -6.028 -5.460 1.00 0.00 H new ATOM 0 HB2 LEU A 22 1.763 -3.622 -4.512 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.169 -4.078 -3.946 1.00 0.00 H new ATOM 0 HG LEU A 22 2.428 -6.032 -3.659 1.00 0.00 H new ATOM 0 HD11 LEU A 22 2.995 -5.042 -1.476 1.00 0.00 H new ATOM 0 HD12 LEU A 22 3.341 -3.925 -2.817 1.00 0.00 H new ATOM 0 HD13 LEU A 22 1.893 -3.685 -1.810 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.151 -6.670 -1.650 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.024 -5.378 -1.992 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.150 -6.743 -3.120 1.00 0.00 H new ATOM 285 N ARG A 23 1.024 -3.362 -7.207 1.00 0.00 N ATOM 286 CA ARG A 23 0.536 -2.393 -8.181 1.00 0.00 C ATOM 287 C ARG A 23 -0.211 -3.090 -9.314 1.00 0.00 C ATOM 288 O ARG A 23 -1.214 -2.581 -9.813 1.00 0.00 O ATOM 289 CB ARG A 23 1.700 -1.577 -8.749 1.00 0.00 C ATOM 290 CG ARG A 23 1.275 -0.552 -9.787 1.00 0.00 C ATOM 291 CD ARG A 23 2.346 0.507 -9.993 1.00 0.00 C ATOM 292 NE ARG A 23 3.457 0.012 -10.803 1.00 0.00 N ATOM 293 CZ ARG A 23 3.441 -0.021 -12.130 1.00 0.00 C ATOM 294 NH1 ARG A 23 2.377 0.410 -12.795 1.00 0.00 N ATOM 295 NH2 ARG A 23 4.491 -0.485 -12.796 1.00 0.00 N ATOM 0 H ARG A 23 2.024 -3.299 -7.014 1.00 0.00 H new ATOM 0 HA ARG A 23 -0.155 -1.721 -7.672 1.00 0.00 H new ATOM 0 HB2 ARG A 23 2.207 -1.065 -7.931 1.00 0.00 H new ATOM 0 HB3 ARG A 23 2.425 -2.257 -9.197 1.00 0.00 H new ATOM 0 HG2 ARG A 23 1.071 -1.053 -10.733 1.00 0.00 H new ATOM 0 HG3 ARG A 23 0.347 -0.076 -9.471 1.00 0.00 H new ATOM 0 HD2 ARG A 23 1.905 1.379 -10.476 1.00 0.00 H new ATOM 0 HD3 ARG A 23 2.722 0.836 -9.024 1.00 0.00 H new ATOM 0 HE ARG A 23 4.290 -0.327 -10.322 1.00 0.00 H new ATOM 0 HH11 ARG A 23 1.568 0.768 -12.287 1.00 0.00 H new ATOM 0 HH12 ARG A 23 2.368 0.383 -13.815 1.00 0.00 H new ATOM 0 HH21 ARG A 23 5.311 -0.817 -12.288 1.00 0.00 H new ATOM 0 HH22 ARG A 23 4.478 -0.510 -13.816 1.00 0.00 H new ATOM 309 N GLU A 24 0.287 -4.256 -9.715 1.00 0.00 N ATOM 310 CA GLU A 24 -0.335 -5.021 -10.789 1.00 0.00 C ATOM 311 C GLU A 24 -1.481 -5.877 -10.258 1.00 0.00 C ATOM 312 O GLU A 24 -2.310 -6.368 -11.023 1.00 0.00 O ATOM 313 CB GLU A 24 0.703 -5.912 -11.476 1.00 0.00 C ATOM 314 CG GLU A 24 1.029 -5.483 -12.897 1.00 0.00 C ATOM 315 CD GLU A 24 2.340 -6.060 -13.395 1.00 0.00 C ATOM 316 OE1 GLU A 24 3.405 -5.576 -12.956 1.00 0.00 O ATOM 317 OE2 GLU A 24 2.302 -6.994 -14.222 1.00 0.00 O ATOM 0 H GLU A 24 1.118 -4.690 -9.313 1.00 0.00 H new ATOM 0 HA GLU A 24 -0.739 -4.315 -11.515 1.00 0.00 H new ATOM 0 HB2 GLU A 24 1.619 -5.910 -10.886 1.00 0.00 H new ATOM 0 HB3 GLU A 24 0.336 -6.938 -11.491 1.00 0.00 H new ATOM 0 HG2 GLU A 24 0.223 -5.796 -13.561 1.00 0.00 H new ATOM 0 HG3 GLU A 24 1.075 -4.395 -12.942 1.00 0.00 H new ATOM 324 N PHE A 25 -1.521 -6.048 -8.940 1.00 0.00 N ATOM 325 CA PHE A 25 -2.564 -6.844 -8.304 1.00 0.00 C ATOM 326 C PHE A 25 -3.780 -5.983 -7.974 1.00 0.00 C ATOM 327 O PHE A 25 -4.911 -6.469 -7.952 1.00 0.00 O ATOM 328 CB PHE A 25 -2.029 -7.501 -7.031 1.00 0.00 C ATOM 329 CG PHE A 25 -3.086 -8.210 -6.232 1.00 0.00 C ATOM 330 CD1 PHE A 25 -3.414 -9.528 -6.509 1.00 0.00 C ATOM 331 CD2 PHE A 25 -3.752 -7.559 -5.207 1.00 0.00 C ATOM 332 CE1 PHE A 25 -4.385 -10.184 -5.776 1.00 0.00 C ATOM 333 CE2 PHE A 25 -4.724 -8.210 -4.471 1.00 0.00 C ATOM 334 CZ PHE A 25 -5.042 -9.524 -4.756 1.00 0.00 C ATOM 0 H PHE A 25 -0.843 -5.646 -8.292 1.00 0.00 H new ATOM 0 HA PHE A 25 -2.871 -7.621 -9.004 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -1.249 -8.213 -7.300 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -1.563 -6.739 -6.407 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -2.905 -10.048 -7.307 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -3.509 -6.531 -4.980 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -4.630 -11.212 -6.001 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -5.235 -7.692 -3.673 1.00 0.00 H new ATOM 0 HZ PHE A 25 -5.802 -10.034 -4.183 1.00 0.00 H new ATOM 344 N PHE A 26 -3.538 -4.702 -7.718 1.00 0.00 N ATOM 345 CA PHE A 26 -4.612 -3.773 -7.387 1.00 0.00 C ATOM 346 C PHE A 26 -5.071 -3.008 -8.626 1.00 0.00 C ATOM 347 O PHE A 26 -6.032 -2.242 -8.574 1.00 0.00 O ATOM 348 CB PHE A 26 -4.151 -2.789 -6.310 1.00 0.00 C ATOM 349 CG PHE A 26 -4.211 -3.352 -4.919 1.00 0.00 C ATOM 350 CD1 PHE A 26 -5.430 -3.553 -4.290 1.00 0.00 C ATOM 351 CD2 PHE A 26 -3.050 -3.683 -4.239 1.00 0.00 C ATOM 352 CE1 PHE A 26 -5.488 -4.071 -3.011 1.00 0.00 C ATOM 353 CE2 PHE A 26 -3.102 -4.201 -2.959 1.00 0.00 C ATOM 354 CZ PHE A 26 -4.323 -4.396 -2.344 1.00 0.00 C ATOM 0 H PHE A 26 -2.608 -4.283 -7.733 1.00 0.00 H new ATOM 0 HA PHE A 26 -5.453 -4.352 -7.005 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -3.128 -2.481 -6.525 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -4.771 -1.893 -6.358 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -6.345 -3.302 -4.806 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -2.092 -3.534 -4.715 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -6.444 -4.222 -2.532 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -2.189 -4.453 -2.440 1.00 0.00 H new ATOM 0 HZ PHE A 26 -4.367 -4.802 -1.344 1.00 0.00 H new ATOM 364 N SER A 27 -4.375 -3.223 -9.737 1.00 0.00 N ATOM 365 CA SER A 27 -4.707 -2.552 -10.989 1.00 0.00 C ATOM 366 C SER A 27 -5.928 -3.192 -11.641 1.00 0.00 C ATOM 367 O SER A 27 -6.603 -2.571 -12.463 1.00 0.00 O ATOM 368 CB SER A 27 -3.517 -2.600 -11.950 1.00 0.00 C ATOM 369 OG SER A 27 -3.031 -1.298 -12.226 1.00 0.00 O ATOM 0 H SER A 27 -3.578 -3.856 -9.796 1.00 0.00 H new ATOM 0 HA SER A 27 -4.941 -1.511 -10.764 1.00 0.00 H new ATOM 0 HB2 SER A 27 -2.720 -3.205 -11.517 1.00 0.00 H new ATOM 0 HB3 SER A 27 -3.816 -3.085 -12.880 1.00 0.00 H new ATOM 0 HG SER A 27 -2.270 -1.356 -12.841 1.00 0.00 H new ATOM 375 N GLN A 28 -6.206 -4.438 -11.269 1.00 0.00 N ATOM 376 CA GLN A 28 -7.346 -5.162 -11.818 1.00 0.00 C ATOM 377 C GLN A 28 -8.646 -4.715 -11.157 1.00 0.00 C ATOM 378 O GLN A 28 -9.718 -4.796 -11.756 1.00 0.00 O ATOM 379 CB GLN A 28 -7.157 -6.669 -11.630 1.00 0.00 C ATOM 380 CG GLN A 28 -7.034 -7.090 -10.175 1.00 0.00 C ATOM 381 CD GLN A 28 -7.498 -8.513 -9.937 1.00 0.00 C ATOM 382 OE1 GLN A 28 -8.559 -8.919 -10.411 1.00 0.00 O ATOM 383 NE2 GLN A 28 -6.703 -9.281 -9.202 1.00 0.00 N ATOM 0 H GLN A 28 -5.658 -4.966 -10.590 1.00 0.00 H new ATOM 0 HA GLN A 28 -7.407 -4.939 -12.883 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -8.001 -7.192 -12.081 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -6.263 -6.984 -12.168 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -5.995 -6.993 -9.860 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -7.620 -6.412 -9.554 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -5.832 -8.904 -8.829 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -6.963 -10.249 -9.011 1.00 0.00 H new ATOM 392 N TYR A 29 -8.543 -4.243 -9.920 1.00 0.00 N ATOM 393 CA TYR A 29 -9.710 -3.785 -9.177 1.00 0.00 C ATOM 394 C TYR A 29 -10.146 -2.400 -9.645 1.00 0.00 C ATOM 395 O TYR A 29 -11.326 -2.159 -9.892 1.00 0.00 O ATOM 396 CB TYR A 29 -9.408 -3.756 -7.677 1.00 0.00 C ATOM 397 CG TYR A 29 -9.199 -5.127 -7.075 1.00 0.00 C ATOM 398 CD1 TYR A 29 -7.962 -5.756 -7.140 1.00 0.00 C ATOM 399 CD2 TYR A 29 -10.240 -5.794 -6.440 1.00 0.00 C ATOM 400 CE1 TYR A 29 -7.768 -7.008 -6.591 1.00 0.00 C ATOM 401 CE2 TYR A 29 -10.054 -7.047 -5.888 1.00 0.00 C ATOM 402 CZ TYR A 29 -8.817 -7.650 -5.966 1.00 0.00 C ATOM 403 OH TYR A 29 -8.626 -8.897 -5.418 1.00 0.00 O ATOM 0 H TYR A 29 -7.663 -4.168 -9.411 1.00 0.00 H new ATOM 0 HA TYR A 29 -10.524 -4.485 -9.364 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -8.516 -3.154 -7.506 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -10.230 -3.262 -7.159 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -7.138 -5.257 -7.628 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -11.211 -5.325 -6.377 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -6.800 -7.482 -6.651 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -10.874 -7.551 -5.398 1.00 0.00 H new ATOM 0 HH TYR A 29 -7.668 -9.052 -5.283 1.00 0.00 H new ATOM 413 N GLY A 30 -9.181 -1.493 -9.767 1.00 0.00 N ATOM 414 CA GLY A 30 -9.483 -0.143 -10.207 1.00 0.00 C ATOM 415 C GLY A 30 -8.315 0.510 -10.919 1.00 0.00 C ATOM 416 O GLY A 30 -7.740 -0.068 -11.842 1.00 0.00 O ATOM 0 H GLY A 30 -8.196 -1.669 -9.569 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -10.344 -0.166 -10.874 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -9.764 0.462 -9.345 1.00 0.00 H new ATOM 420 N ASP A 31 -7.964 1.717 -10.491 1.00 0.00 N ATOM 421 CA ASP A 31 -6.856 2.451 -11.094 1.00 0.00 C ATOM 422 C ASP A 31 -5.910 2.984 -10.023 1.00 0.00 C ATOM 423 O ASP A 31 -6.075 4.102 -9.535 1.00 0.00 O ATOM 424 CB ASP A 31 -7.385 3.606 -11.945 1.00 0.00 C ATOM 425 CG ASP A 31 -6.965 3.493 -13.397 1.00 0.00 C ATOM 426 OD1 ASP A 31 -7.579 2.695 -14.134 1.00 0.00 O ATOM 427 OD2 ASP A 31 -6.021 4.206 -13.798 1.00 0.00 O ATOM 0 H ASP A 31 -8.430 2.209 -9.729 1.00 0.00 H new ATOM 0 HA ASP A 31 -6.302 1.763 -11.733 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -8.473 3.629 -11.885 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -7.023 4.550 -11.537 1.00 0.00 H new ATOM 432 N VAL A 32 -4.921 2.175 -9.659 1.00 0.00 N ATOM 433 CA VAL A 32 -3.948 2.565 -8.645 1.00 0.00 C ATOM 434 C VAL A 32 -2.949 3.574 -9.201 1.00 0.00 C ATOM 435 O VAL A 32 -2.256 3.301 -10.182 1.00 0.00 O ATOM 436 CB VAL A 32 -3.180 1.345 -8.104 1.00 0.00 C ATOM 437 CG1 VAL A 32 -2.703 0.463 -9.249 1.00 0.00 C ATOM 438 CG2 VAL A 32 -2.009 1.790 -7.241 1.00 0.00 C ATOM 0 H VAL A 32 -4.772 1.245 -10.051 1.00 0.00 H new ATOM 0 HA VAL A 32 -4.508 3.023 -7.830 1.00 0.00 H new ATOM 0 HB VAL A 32 -3.857 0.759 -7.482 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -2.162 -0.394 -8.847 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -3.562 0.114 -9.822 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -2.042 1.036 -9.899 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -1.478 0.914 -6.868 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -1.329 2.400 -7.836 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -2.379 2.376 -6.400 1.00 0.00 H new ATOM 448 N MET A 33 -2.879 4.740 -8.567 1.00 0.00 N ATOM 449 CA MET A 33 -1.964 5.791 -8.998 1.00 0.00 C ATOM 450 C MET A 33 -0.513 5.355 -8.815 1.00 0.00 C ATOM 451 O MET A 33 0.274 5.375 -9.761 1.00 0.00 O ATOM 452 CB MET A 33 -2.225 7.078 -8.214 1.00 0.00 C ATOM 453 CG MET A 33 -3.391 7.891 -8.753 1.00 0.00 C ATOM 454 SD MET A 33 -3.190 8.326 -10.491 1.00 0.00 S ATOM 455 CE MET A 33 -2.045 9.698 -10.367 1.00 0.00 C ATOM 0 H MET A 33 -3.445 4.981 -7.753 1.00 0.00 H new ATOM 0 HA MET A 33 -2.138 5.979 -10.057 1.00 0.00 H new ATOM 0 HB2 MET A 33 -2.419 6.826 -7.172 1.00 0.00 H new ATOM 0 HB3 MET A 33 -1.325 7.693 -8.231 1.00 0.00 H new ATOM 0 HG2 MET A 33 -4.313 7.323 -8.629 1.00 0.00 H new ATOM 0 HG3 MET A 33 -3.496 8.802 -8.164 1.00 0.00 H new ATOM 0 HE1 MET A 33 -1.822 10.077 -11.364 1.00 0.00 H new ATOM 0 HE2 MET A 33 -2.492 10.492 -9.768 1.00 0.00 H new ATOM 0 HE3 MET A 33 -1.123 9.361 -9.893 1.00 0.00 H new ATOM 465 N ASP A 34 -0.167 4.964 -7.593 1.00 0.00 N ATOM 466 CA ASP A 34 1.189 4.523 -7.287 1.00 0.00 C ATOM 467 C ASP A 34 1.216 3.706 -6.000 1.00 0.00 C ATOM 468 O ASP A 34 0.205 3.582 -5.309 1.00 0.00 O ATOM 469 CB ASP A 34 2.123 5.727 -7.162 1.00 0.00 C ATOM 470 CG ASP A 34 3.302 5.648 -8.112 1.00 0.00 C ATOM 471 OD1 ASP A 34 4.329 5.048 -7.732 1.00 0.00 O ATOM 472 OD2 ASP A 34 3.197 6.185 -9.234 1.00 0.00 O ATOM 0 H ASP A 34 -0.807 4.944 -6.799 1.00 0.00 H new ATOM 0 HA ASP A 34 1.533 3.890 -8.105 1.00 0.00 H new ATOM 0 HB2 ASP A 34 1.562 6.640 -7.360 1.00 0.00 H new ATOM 0 HB3 ASP A 34 2.490 5.794 -6.138 1.00 0.00 H new ATOM 477 N VAL A 35 2.381 3.149 -5.683 1.00 0.00 N ATOM 478 CA VAL A 35 2.541 2.343 -4.479 1.00 0.00 C ATOM 479 C VAL A 35 3.894 2.595 -3.825 1.00 0.00 C ATOM 480 O VAL A 35 4.940 2.277 -4.392 1.00 0.00 O ATOM 481 CB VAL A 35 2.404 0.841 -4.786 1.00 0.00 C ATOM 482 CG1 VAL A 35 2.502 0.022 -3.508 1.00 0.00 C ATOM 483 CG2 VAL A 35 1.095 0.562 -5.509 1.00 0.00 C ATOM 0 H VAL A 35 3.228 3.242 -6.244 1.00 0.00 H new ATOM 0 HA VAL A 35 1.748 2.639 -3.793 1.00 0.00 H new ATOM 0 HB VAL A 35 3.224 0.546 -5.441 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.403 -1.037 -3.746 1.00 0.00 H new ATOM 0 HG12 VAL A 35 3.468 0.199 -3.036 1.00 0.00 H new ATOM 0 HG13 VAL A 35 1.705 0.317 -2.825 1.00 0.00 H new ATOM 0 HG21 VAL A 35 1.015 -0.505 -5.718 1.00 0.00 H new ATOM 0 HG22 VAL A 35 0.259 0.872 -4.882 1.00 0.00 H new ATOM 0 HG23 VAL A 35 1.071 1.118 -6.446 1.00 0.00 H new ATOM 493 N PHE A 36 3.869 3.169 -2.626 1.00 0.00 N ATOM 494 CA PHE A 36 5.094 3.465 -1.893 1.00 0.00 C ATOM 495 C PHE A 36 5.204 2.597 -0.642 1.00 0.00 C ATOM 496 O PHE A 36 4.207 2.061 -0.157 1.00 0.00 O ATOM 497 CB PHE A 36 5.138 4.944 -1.506 1.00 0.00 C ATOM 498 CG PHE A 36 6.236 5.279 -0.537 1.00 0.00 C ATOM 499 CD1 PHE A 36 7.563 5.229 -0.930 1.00 0.00 C ATOM 500 CD2 PHE A 36 5.939 5.642 0.767 1.00 0.00 C ATOM 501 CE1 PHE A 36 8.576 5.537 -0.040 1.00 0.00 C ATOM 502 CE2 PHE A 36 6.948 5.950 1.660 1.00 0.00 C ATOM 503 CZ PHE A 36 8.267 5.897 1.257 1.00 0.00 C ATOM 0 H PHE A 36 3.013 3.438 -2.142 1.00 0.00 H new ATOM 0 HA PHE A 36 5.939 3.242 -2.544 1.00 0.00 H new ATOM 0 HB2 PHE A 36 5.265 5.543 -2.408 1.00 0.00 H new ATOM 0 HB3 PHE A 36 4.180 5.225 -1.068 1.00 0.00 H new ATOM 0 HD1 PHE A 36 7.810 4.946 -1.943 1.00 0.00 H new ATOM 0 HD2 PHE A 36 4.909 5.685 1.089 1.00 0.00 H new ATOM 0 HE1 PHE A 36 9.607 5.496 -0.359 1.00 0.00 H new ATOM 0 HE2 PHE A 36 6.704 6.232 2.674 1.00 0.00 H new ATOM 0 HZ PHE A 36 9.056 6.137 1.955 1.00 0.00 H new ATOM 513 N ILE A 37 6.421 2.463 -0.128 1.00 0.00 N ATOM 514 CA ILE A 37 6.661 1.661 1.066 1.00 0.00 C ATOM 515 C ILE A 37 7.401 2.465 2.129 1.00 0.00 C ATOM 516 O ILE A 37 8.627 2.581 2.114 1.00 0.00 O ATOM 517 CB ILE A 37 7.473 0.393 0.739 1.00 0.00 C ATOM 518 CG1 ILE A 37 6.638 -0.570 -0.107 1.00 0.00 C ATOM 519 CG2 ILE A 37 7.936 -0.284 2.020 1.00 0.00 C ATOM 520 CD1 ILE A 37 7.459 -1.645 -0.786 1.00 0.00 C ATOM 0 H ILE A 37 7.256 2.899 -0.519 1.00 0.00 H new ATOM 0 HA ILE A 37 5.684 1.368 1.451 1.00 0.00 H new ATOM 0 HB ILE A 37 8.353 0.681 0.165 1.00 0.00 H new ATOM 0 HG12 ILE A 37 5.889 -1.043 0.528 1.00 0.00 H new ATOM 0 HG13 ILE A 37 6.100 -0.002 -0.866 1.00 0.00 H new ATOM 0 HG21 ILE A 37 8.508 -1.178 1.773 1.00 0.00 H new ATOM 0 HG22 ILE A 37 8.563 0.403 2.588 1.00 0.00 H new ATOM 0 HG23 ILE A 37 7.069 -0.562 2.618 1.00 0.00 H new ATOM 0 HD11 ILE A 37 6.802 -2.291 -1.368 1.00 0.00 H new ATOM 0 HD12 ILE A 37 8.191 -1.181 -1.447 1.00 0.00 H new ATOM 0 HD13 ILE A 37 7.976 -2.238 -0.032 1.00 0.00 H new ATOM 532 N PRO A 38 6.641 3.035 3.076 1.00 0.00 N ATOM 533 CA PRO A 38 7.203 3.837 4.166 1.00 0.00 C ATOM 534 C PRO A 38 7.985 2.990 5.165 1.00 0.00 C ATOM 535 O PRO A 38 7.526 1.929 5.588 1.00 0.00 O ATOM 536 CB PRO A 38 5.967 4.445 4.833 1.00 0.00 C ATOM 537 CG PRO A 38 4.861 3.500 4.515 1.00 0.00 C ATOM 538 CD PRO A 38 5.173 2.939 3.155 1.00 0.00 C ATOM 0 HA PRO A 38 7.915 4.577 3.802 1.00 0.00 H new ATOM 0 HB2 PRO A 38 6.106 4.543 5.910 1.00 0.00 H new ATOM 0 HB3 PRO A 38 5.759 5.443 4.446 1.00 0.00 H new ATOM 0 HG2 PRO A 38 4.800 2.706 5.260 1.00 0.00 H new ATOM 0 HG3 PRO A 38 3.899 4.012 4.515 1.00 0.00 H new ATOM 0 HD2 PRO A 38 4.832 1.908 3.057 1.00 0.00 H new ATOM 0 HD3 PRO A 38 4.689 3.511 2.363 1.00 0.00 H new ATOM 546 N LYS A 39 9.168 3.465 5.539 1.00 0.00 N ATOM 547 CA LYS A 39 10.013 2.753 6.489 1.00 0.00 C ATOM 548 C LYS A 39 9.913 3.375 7.878 1.00 0.00 C ATOM 549 O LYS A 39 9.630 4.563 8.035 1.00 0.00 O ATOM 550 CB LYS A 39 11.470 2.767 6.018 1.00 0.00 C ATOM 551 CG LYS A 39 11.696 2.004 4.723 1.00 0.00 C ATOM 552 CD LYS A 39 12.117 0.569 4.989 1.00 0.00 C ATOM 553 CE LYS A 39 12.667 -0.093 3.734 1.00 0.00 C ATOM 554 NZ LYS A 39 13.458 -1.314 4.051 1.00 0.00 N ATOM 0 H LYS A 39 9.563 4.341 5.198 1.00 0.00 H new ATOM 0 HA LYS A 39 9.664 1.722 6.545 1.00 0.00 H new ATOM 0 HB2 LYS A 39 11.790 3.800 5.882 1.00 0.00 H new ATOM 0 HB3 LYS A 39 12.100 2.338 6.798 1.00 0.00 H new ATOM 0 HG2 LYS A 39 10.781 2.012 4.130 1.00 0.00 H new ATOM 0 HG3 LYS A 39 12.463 2.506 4.133 1.00 0.00 H new ATOM 0 HD2 LYS A 39 12.874 0.550 5.773 1.00 0.00 H new ATOM 0 HD3 LYS A 39 11.263 0.000 5.357 1.00 0.00 H new ATOM 0 HE2 LYS A 39 11.842 -0.357 3.072 1.00 0.00 H new ATOM 0 HE3 LYS A 39 13.295 0.616 3.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 13.815 -1.735 3.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 14.260 -1.059 4.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 12.853 -2.002 4.543 1.00 0.00 H new ATOM 568 N PRO A 40 10.150 2.555 8.913 1.00 0.00 N ATOM 569 CA PRO A 40 10.488 1.139 8.740 1.00 0.00 C ATOM 570 C PRO A 40 9.305 0.319 8.235 1.00 0.00 C ATOM 571 O PRO A 40 8.166 0.535 8.649 1.00 0.00 O ATOM 572 CB PRO A 40 10.885 0.694 10.149 1.00 0.00 C ATOM 573 CG PRO A 40 10.169 1.632 11.058 1.00 0.00 C ATOM 574 CD PRO A 40 10.109 2.947 10.332 1.00 0.00 C ATOM 0 HA PRO A 40 11.272 0.995 7.997 1.00 0.00 H new ATOM 0 HB2 PRO A 40 10.592 -0.339 10.335 1.00 0.00 H new ATOM 0 HB3 PRO A 40 11.964 0.750 10.293 1.00 0.00 H new ATOM 0 HG2 PRO A 40 9.168 1.266 11.286 1.00 0.00 H new ATOM 0 HG3 PRO A 40 10.695 1.734 12.007 1.00 0.00 H new ATOM 0 HD2 PRO A 40 9.199 3.497 10.571 1.00 0.00 H new ATOM 0 HD3 PRO A 40 10.948 3.590 10.596 1.00 0.00 H new ATOM 582 N PHE A 41 9.583 -0.622 7.340 1.00 0.00 N ATOM 583 CA PHE A 41 8.541 -1.475 6.778 1.00 0.00 C ATOM 584 C PHE A 41 8.246 -2.653 7.702 1.00 0.00 C ATOM 585 O PHE A 41 9.130 -3.456 8.005 1.00 0.00 O ATOM 586 CB PHE A 41 8.960 -1.987 5.398 1.00 0.00 C ATOM 587 CG PHE A 41 8.214 -3.216 4.964 1.00 0.00 C ATOM 588 CD1 PHE A 41 6.993 -3.110 4.319 1.00 0.00 C ATOM 589 CD2 PHE A 41 8.736 -4.478 5.200 1.00 0.00 C ATOM 590 CE1 PHE A 41 6.305 -4.240 3.919 1.00 0.00 C ATOM 591 CE2 PHE A 41 8.052 -5.612 4.802 1.00 0.00 C ATOM 592 CZ PHE A 41 6.836 -5.492 4.159 1.00 0.00 C ATOM 0 H PHE A 41 10.521 -0.814 6.988 1.00 0.00 H new ATOM 0 HA PHE A 41 7.634 -0.879 6.676 1.00 0.00 H new ATOM 0 HB2 PHE A 41 8.803 -1.198 4.663 1.00 0.00 H new ATOM 0 HB3 PHE A 41 10.028 -2.205 5.409 1.00 0.00 H new ATOM 0 HD1 PHE A 41 6.574 -2.133 4.126 1.00 0.00 H new ATOM 0 HD2 PHE A 41 9.688 -4.577 5.700 1.00 0.00 H new ATOM 0 HE1 PHE A 41 5.353 -4.144 3.419 1.00 0.00 H new ATOM 0 HE2 PHE A 41 8.468 -6.590 4.994 1.00 0.00 H new ATOM 0 HZ PHE A 41 6.301 -6.376 3.844 1.00 0.00 H new ATOM 602 N ARG A 42 6.998 -2.750 8.148 1.00 0.00 N ATOM 603 CA ARG A 42 6.585 -3.829 9.038 1.00 0.00 C ATOM 604 C ARG A 42 5.408 -4.599 8.450 1.00 0.00 C ATOM 605 O ARG A 42 4.255 -4.358 8.805 1.00 0.00 O ATOM 606 CB ARG A 42 6.207 -3.269 10.411 1.00 0.00 C ATOM 607 CG ARG A 42 7.404 -2.833 11.242 1.00 0.00 C ATOM 608 CD ARG A 42 6.987 -1.915 12.380 1.00 0.00 C ATOM 609 NE ARG A 42 6.569 -0.602 11.897 1.00 0.00 N ATOM 610 CZ ARG A 42 6.050 0.338 12.680 1.00 0.00 C ATOM 611 NH1 ARG A 42 5.888 0.111 13.976 1.00 0.00 N ATOM 612 NH2 ARG A 42 5.692 1.509 12.167 1.00 0.00 N ATOM 0 H ARG A 42 6.255 -2.094 7.908 1.00 0.00 H new ATOM 0 HA ARG A 42 7.425 -4.515 9.151 1.00 0.00 H new ATOM 0 HB2 ARG A 42 5.540 -2.418 10.276 1.00 0.00 H new ATOM 0 HB3 ARG A 42 5.649 -4.026 10.962 1.00 0.00 H new ATOM 0 HG2 ARG A 42 7.906 -3.711 11.647 1.00 0.00 H new ATOM 0 HG3 ARG A 42 8.124 -2.320 10.604 1.00 0.00 H new ATOM 0 HD2 ARG A 42 6.169 -2.374 12.936 1.00 0.00 H new ATOM 0 HD3 ARG A 42 7.818 -1.798 13.075 1.00 0.00 H new ATOM 0 HE ARG A 42 6.681 -0.395 10.905 1.00 0.00 H new ATOM 0 HH11 ARG A 42 6.162 -0.787 14.375 1.00 0.00 H new ATOM 0 HH12 ARG A 42 5.489 0.834 14.575 1.00 0.00 H new ATOM 0 HH21 ARG A 42 5.815 1.688 11.170 1.00 0.00 H new ATOM 0 HH22 ARG A 42 5.294 2.229 12.769 1.00 0.00 H new ATOM 626 N ALA A 43 5.707 -5.528 7.548 1.00 0.00 N ATOM 627 CA ALA A 43 4.674 -6.336 6.910 1.00 0.00 C ATOM 628 C ALA A 43 3.471 -5.481 6.522 1.00 0.00 C ATOM 629 O ALA A 43 2.324 -5.890 6.698 1.00 0.00 O ATOM 630 CB ALA A 43 4.244 -7.466 7.833 1.00 0.00 C ATOM 0 H ALA A 43 6.657 -5.740 7.242 1.00 0.00 H new ATOM 0 HA ALA A 43 5.092 -6.764 5.999 1.00 0.00 H new ATOM 0 HB1 ALA A 43 3.473 -8.061 7.344 1.00 0.00 H new ATOM 0 HB2 ALA A 43 5.103 -8.099 8.058 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.848 -7.049 8.759 1.00 0.00 H new ATOM 636 N PHE A 44 3.743 -4.293 5.992 1.00 0.00 N ATOM 637 CA PHE A 44 2.683 -3.380 5.580 1.00 0.00 C ATOM 638 C PHE A 44 3.212 -2.343 4.593 1.00 0.00 C ATOM 639 O PHE A 44 4.395 -2.004 4.607 1.00 0.00 O ATOM 640 CB PHE A 44 2.081 -2.680 6.799 1.00 0.00 C ATOM 641 CG PHE A 44 2.795 -1.415 7.178 1.00 0.00 C ATOM 642 CD1 PHE A 44 2.701 -0.285 6.382 1.00 0.00 C ATOM 643 CD2 PHE A 44 3.563 -1.356 8.330 1.00 0.00 C ATOM 644 CE1 PHE A 44 3.358 0.882 6.728 1.00 0.00 C ATOM 645 CE2 PHE A 44 4.222 -0.193 8.681 1.00 0.00 C ATOM 646 CZ PHE A 44 4.120 0.927 7.878 1.00 0.00 C ATOM 0 H PHE A 44 4.688 -3.940 5.838 1.00 0.00 H new ATOM 0 HA PHE A 44 1.907 -3.964 5.085 1.00 0.00 H new ATOM 0 HB2 PHE A 44 1.035 -2.450 6.596 1.00 0.00 H new ATOM 0 HB3 PHE A 44 2.098 -3.365 7.647 1.00 0.00 H new ATOM 0 HD1 PHE A 44 2.107 -0.316 5.480 1.00 0.00 H new ATOM 0 HD2 PHE A 44 3.648 -2.229 8.961 1.00 0.00 H new ATOM 0 HE1 PHE A 44 3.275 1.756 6.100 1.00 0.00 H new ATOM 0 HE2 PHE A 44 4.816 -0.160 9.582 1.00 0.00 H new ATOM 0 HZ PHE A 44 4.636 1.836 8.150 1.00 0.00 H new ATOM 656 N ALA A 45 2.326 -1.844 3.737 1.00 0.00 N ATOM 657 CA ALA A 45 2.703 -0.844 2.745 1.00 0.00 C ATOM 658 C ALA A 45 1.580 0.166 2.529 1.00 0.00 C ATOM 659 O ALA A 45 0.432 -0.081 2.896 1.00 0.00 O ATOM 660 CB ALA A 45 3.069 -1.518 1.430 1.00 0.00 C ATOM 0 H ALA A 45 1.343 -2.116 3.710 1.00 0.00 H new ATOM 0 HA ALA A 45 3.573 -0.306 3.120 1.00 0.00 H new ATOM 0 HB1 ALA A 45 3.348 -0.760 0.698 1.00 0.00 H new ATOM 0 HB2 ALA A 45 3.908 -2.195 1.589 1.00 0.00 H new ATOM 0 HB3 ALA A 45 2.213 -2.082 1.060 1.00 0.00 H new ATOM 666 N PHE A 46 1.921 1.304 1.934 1.00 0.00 N ATOM 667 CA PHE A 46 0.942 2.352 1.671 1.00 0.00 C ATOM 668 C PHE A 46 0.648 2.460 0.179 1.00 0.00 C ATOM 669 O PHE A 46 1.530 2.783 -0.618 1.00 0.00 O ATOM 670 CB PHE A 46 1.447 3.695 2.202 1.00 0.00 C ATOM 671 CG PHE A 46 0.501 4.833 1.949 1.00 0.00 C ATOM 672 CD1 PHE A 46 -0.564 5.070 2.804 1.00 0.00 C ATOM 673 CD2 PHE A 46 0.677 5.668 0.857 1.00 0.00 C ATOM 674 CE1 PHE A 46 -1.436 6.117 2.573 1.00 0.00 C ATOM 675 CE2 PHE A 46 -0.192 6.717 0.621 1.00 0.00 C ATOM 676 CZ PHE A 46 -1.250 6.941 1.480 1.00 0.00 C ATOM 0 H PHE A 46 2.868 1.524 1.625 1.00 0.00 H new ATOM 0 HA PHE A 46 0.018 2.089 2.186 1.00 0.00 H new ATOM 0 HB2 PHE A 46 1.622 3.610 3.275 1.00 0.00 H new ATOM 0 HB3 PHE A 46 2.408 3.922 1.739 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -0.714 4.429 3.660 1.00 0.00 H new ATOM 0 HD2 PHE A 46 1.503 5.497 0.182 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -2.262 6.291 3.246 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -0.044 7.360 -0.234 1.00 0.00 H new ATOM 0 HZ PHE A 46 -1.931 7.759 1.297 1.00 0.00 H new ATOM 686 N VAL A 47 -0.599 2.188 -0.194 1.00 0.00 N ATOM 687 CA VAL A 47 -1.010 2.255 -1.592 1.00 0.00 C ATOM 688 C VAL A 47 -1.983 3.406 -1.824 1.00 0.00 C ATOM 689 O VAL A 47 -2.818 3.710 -0.970 1.00 0.00 O ATOM 690 CB VAL A 47 -1.672 0.940 -2.046 1.00 0.00 C ATOM 691 CG1 VAL A 47 -2.322 1.112 -3.410 1.00 0.00 C ATOM 692 CG2 VAL A 47 -0.652 -0.188 -2.071 1.00 0.00 C ATOM 0 H VAL A 47 -1.341 1.919 0.452 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.107 2.421 -2.180 1.00 0.00 H new ATOM 0 HB VAL A 47 -2.451 0.679 -1.330 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -2.784 0.173 -3.714 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -3.083 1.890 -3.355 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.565 1.397 -4.141 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -1.136 -1.110 -2.394 1.00 0.00 H new ATOM 0 HG22 VAL A 47 0.150 0.062 -2.765 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -0.238 -0.326 -1.072 1.00 0.00 H new ATOM 702 N THR A 48 -1.870 4.044 -2.984 1.00 0.00 N ATOM 703 CA THR A 48 -2.738 5.163 -3.329 1.00 0.00 C ATOM 704 C THR A 48 -3.578 4.848 -4.561 1.00 0.00 C ATOM 705 O THR A 48 -3.070 4.328 -5.554 1.00 0.00 O ATOM 706 CB THR A 48 -1.925 6.445 -3.589 1.00 0.00 C ATOM 707 OG1 THR A 48 -1.154 6.780 -2.430 1.00 0.00 O ATOM 708 CG2 THR A 48 -2.844 7.605 -3.944 1.00 0.00 C ATOM 0 H THR A 48 -1.185 3.805 -3.701 1.00 0.00 H new ATOM 0 HA THR A 48 -3.397 5.327 -2.476 1.00 0.00 H new ATOM 0 HB THR A 48 -1.256 6.260 -4.429 1.00 0.00 H new ATOM 0 HG1 THR A 48 -1.446 6.231 -1.673 1.00 0.00 H new ATOM 0 HG21 THR A 48 -2.248 8.500 -4.123 1.00 0.00 H new ATOM 0 HG22 THR A 48 -3.409 7.359 -4.843 1.00 0.00 H new ATOM 0 HG23 THR A 48 -3.534 7.788 -3.120 1.00 0.00 H new ATOM 716 N PHE A 49 -4.866 5.168 -4.491 1.00 0.00 N ATOM 717 CA PHE A 49 -5.776 4.917 -5.603 1.00 0.00 C ATOM 718 C PHE A 49 -6.262 6.229 -6.213 1.00 0.00 C ATOM 719 O PHE A 49 -6.599 7.171 -5.499 1.00 0.00 O ATOM 720 CB PHE A 49 -6.974 4.087 -5.132 1.00 0.00 C ATOM 721 CG PHE A 49 -6.691 2.614 -5.062 1.00 0.00 C ATOM 722 CD1 PHE A 49 -6.590 1.859 -6.220 1.00 0.00 C ATOM 723 CD2 PHE A 49 -6.525 1.985 -3.839 1.00 0.00 C ATOM 724 CE1 PHE A 49 -6.331 0.503 -6.157 1.00 0.00 C ATOM 725 CE2 PHE A 49 -6.265 0.629 -3.772 1.00 0.00 C ATOM 726 CZ PHE A 49 -6.167 -0.112 -4.932 1.00 0.00 C ATOM 0 H PHE A 49 -5.303 5.601 -3.677 1.00 0.00 H new ATOM 0 HA PHE A 49 -5.233 4.359 -6.366 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -7.284 4.437 -4.147 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -7.812 4.256 -5.808 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -6.715 2.335 -7.181 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -6.600 2.560 -2.928 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -6.257 -0.075 -7.066 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -6.139 0.150 -2.812 1.00 0.00 H new ATOM 0 HZ PHE A 49 -5.962 -1.171 -4.882 1.00 0.00 H new ATOM 736 N ALA A 50 -6.293 6.280 -7.541 1.00 0.00 N ATOM 737 CA ALA A 50 -6.738 7.474 -8.249 1.00 0.00 C ATOM 738 C ALA A 50 -8.092 7.947 -7.733 1.00 0.00 C ATOM 739 O ALA A 50 -8.483 9.094 -7.948 1.00 0.00 O ATOM 740 CB ALA A 50 -6.806 7.206 -9.746 1.00 0.00 C ATOM 0 H ALA A 50 -6.015 5.509 -8.148 1.00 0.00 H new ATOM 0 HA ALA A 50 -6.012 8.266 -8.065 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -7.140 8.106 -10.262 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -5.818 6.924 -10.110 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -7.509 6.396 -9.939 1.00 0.00 H new ATOM 746 N ASP A 51 -8.804 7.055 -7.052 1.00 0.00 N ATOM 747 CA ASP A 51 -10.115 7.382 -6.505 1.00 0.00 C ATOM 748 C ASP A 51 -10.256 6.855 -5.080 1.00 0.00 C ATOM 749 O ASP A 51 -9.801 5.755 -4.765 1.00 0.00 O ATOM 750 CB ASP A 51 -11.220 6.798 -7.387 1.00 0.00 C ATOM 751 CG ASP A 51 -11.926 7.858 -8.208 1.00 0.00 C ATOM 752 OD1 ASP A 51 -11.309 8.911 -8.475 1.00 0.00 O ATOM 753 OD2 ASP A 51 -13.094 7.636 -8.586 1.00 0.00 O ATOM 0 H ASP A 51 -8.495 6.101 -6.866 1.00 0.00 H new ATOM 0 HA ASP A 51 -10.212 8.468 -6.485 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -10.791 6.051 -8.055 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -11.948 6.284 -6.760 1.00 0.00 H new ATOM 758 N ASP A 52 -10.886 7.648 -4.221 1.00 0.00 N ATOM 759 CA ASP A 52 -11.086 7.263 -2.829 1.00 0.00 C ATOM 760 C ASP A 52 -12.170 6.196 -2.710 1.00 0.00 C ATOM 761 O ASP A 52 -12.203 5.438 -1.742 1.00 0.00 O ATOM 762 CB ASP A 52 -11.462 8.484 -1.987 1.00 0.00 C ATOM 763 CG ASP A 52 -12.049 8.104 -0.643 1.00 0.00 C ATOM 764 OD1 ASP A 52 -13.118 7.459 -0.625 1.00 0.00 O ATOM 765 OD2 ASP A 52 -11.440 8.451 0.391 1.00 0.00 O ATOM 0 H ASP A 52 -11.267 8.562 -4.464 1.00 0.00 H new ATOM 0 HA ASP A 52 -10.150 6.848 -2.456 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -10.577 9.101 -1.832 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -12.182 9.092 -2.535 1.00 0.00 H new ATOM 770 N GLN A 53 -13.054 6.145 -3.701 1.00 0.00 N ATOM 771 CA GLN A 53 -14.141 5.173 -3.706 1.00 0.00 C ATOM 772 C GLN A 53 -13.599 3.754 -3.843 1.00 0.00 C ATOM 773 O GLN A 53 -14.260 2.788 -3.460 1.00 0.00 O ATOM 774 CB GLN A 53 -15.115 5.471 -4.847 1.00 0.00 C ATOM 775 CG GLN A 53 -15.769 6.840 -4.746 1.00 0.00 C ATOM 776 CD GLN A 53 -17.058 6.813 -3.948 1.00 0.00 C ATOM 777 OE1 GLN A 53 -17.059 6.498 -2.758 1.00 0.00 O ATOM 778 NE2 GLN A 53 -18.165 7.146 -4.601 1.00 0.00 N ATOM 0 H GLN A 53 -13.039 6.765 -4.511 1.00 0.00 H new ATOM 0 HA GLN A 53 -14.670 5.252 -2.756 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -14.583 5.401 -5.796 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -15.892 4.706 -4.860 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -15.073 7.538 -4.281 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -15.974 7.215 -5.749 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -18.118 7.401 -5.588 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -19.062 7.147 -4.116 1.00 0.00 H new ATOM 787 N ILE A 54 -12.395 3.635 -4.391 1.00 0.00 N ATOM 788 CA ILE A 54 -11.765 2.334 -4.577 1.00 0.00 C ATOM 789 C ILE A 54 -11.028 1.894 -3.316 1.00 0.00 C ATOM 790 O ILE A 54 -11.087 0.730 -2.924 1.00 0.00 O ATOM 791 CB ILE A 54 -10.776 2.351 -5.757 1.00 0.00 C ATOM 792 CG1 ILE A 54 -11.464 2.869 -7.021 1.00 0.00 C ATOM 793 CG2 ILE A 54 -10.206 0.959 -5.991 1.00 0.00 C ATOM 794 CD1 ILE A 54 -10.525 3.044 -8.193 1.00 0.00 C ATOM 0 H ILE A 54 -11.836 4.424 -4.714 1.00 0.00 H new ATOM 0 HA ILE A 54 -12.564 1.625 -4.794 1.00 0.00 H new ATOM 0 HB ILE A 54 -9.954 3.023 -5.512 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -12.258 2.177 -7.302 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -11.938 3.825 -6.800 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -9.509 0.987 -6.828 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -9.684 0.624 -5.095 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -11.017 0.267 -6.218 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -11.082 3.414 -9.054 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -9.745 3.759 -7.931 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -10.069 2.085 -8.441 1.00 0.00 H new ATOM 806 N ALA A 55 -10.335 2.836 -2.685 1.00 0.00 N ATOM 807 CA ALA A 55 -9.589 2.548 -1.466 1.00 0.00 C ATOM 808 C ALA A 55 -10.526 2.167 -0.326 1.00 0.00 C ATOM 809 O ALA A 55 -10.383 1.105 0.279 1.00 0.00 O ATOM 810 CB ALA A 55 -8.735 3.745 -1.073 1.00 0.00 C ATOM 0 H ALA A 55 -10.275 3.805 -2.998 1.00 0.00 H new ATOM 0 HA ALA A 55 -8.935 1.699 -1.663 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -8.184 3.515 -0.161 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.032 3.969 -1.875 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -9.377 4.609 -0.901 1.00 0.00 H new ATOM 816 N GLN A 56 -11.486 3.040 -0.038 1.00 0.00 N ATOM 817 CA GLN A 56 -12.446 2.795 1.032 1.00 0.00 C ATOM 818 C GLN A 56 -13.265 1.539 0.751 1.00 0.00 C ATOM 819 O GLN A 56 -13.406 0.673 1.613 1.00 0.00 O ATOM 820 CB GLN A 56 -13.376 3.998 1.197 1.00 0.00 C ATOM 821 CG GLN A 56 -13.470 4.502 2.629 1.00 0.00 C ATOM 822 CD GLN A 56 -14.363 3.634 3.494 1.00 0.00 C ATOM 823 OE1 GLN A 56 -14.840 2.585 3.059 1.00 0.00 O ATOM 824 NE2 GLN A 56 -14.594 4.068 4.728 1.00 0.00 N ATOM 0 H GLN A 56 -11.620 3.923 -0.531 1.00 0.00 H new ATOM 0 HA GLN A 56 -11.890 2.645 1.958 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -13.025 4.808 0.558 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -14.373 3.726 0.850 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -12.471 4.537 3.064 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -13.853 5.523 2.627 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -14.178 4.943 5.047 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -15.187 3.526 5.357 1.00 0.00 H new ATOM 833 N SER A 57 -13.803 1.449 -0.462 1.00 0.00 N ATOM 834 CA SER A 57 -14.613 0.302 -0.855 1.00 0.00 C ATOM 835 C SER A 57 -13.847 -1.000 -0.642 1.00 0.00 C ATOM 836 O SER A 57 -14.438 -2.041 -0.352 1.00 0.00 O ATOM 837 CB SER A 57 -15.031 0.425 -2.321 1.00 0.00 C ATOM 838 OG SER A 57 -15.731 -0.729 -2.751 1.00 0.00 O ATOM 0 H SER A 57 -13.692 2.156 -1.189 1.00 0.00 H new ATOM 0 HA SER A 57 -15.506 0.287 -0.230 1.00 0.00 H new ATOM 0 HB2 SER A 57 -15.661 1.305 -2.450 1.00 0.00 H new ATOM 0 HB3 SER A 57 -14.148 0.571 -2.943 1.00 0.00 H new ATOM 0 HG SER A 57 -15.988 -0.624 -3.691 1.00 0.00 H new ATOM 844 N LEU A 58 -12.528 -0.936 -0.787 1.00 0.00 N ATOM 845 CA LEU A 58 -11.680 -2.109 -0.611 1.00 0.00 C ATOM 846 C LEU A 58 -11.467 -2.409 0.870 1.00 0.00 C ATOM 847 O LEU A 58 -11.418 -3.571 1.277 1.00 0.00 O ATOM 848 CB LEU A 58 -10.330 -1.896 -1.298 1.00 0.00 C ATOM 849 CG LEU A 58 -10.125 -2.639 -2.619 1.00 0.00 C ATOM 850 CD1 LEU A 58 -8.778 -2.283 -3.228 1.00 0.00 C ATOM 851 CD2 LEU A 58 -10.234 -4.143 -2.407 1.00 0.00 C ATOM 0 H LEU A 58 -12.022 -0.083 -1.026 1.00 0.00 H new ATOM 0 HA LEU A 58 -12.183 -2.961 -1.068 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -10.202 -0.829 -1.481 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -9.542 -2.198 -0.608 1.00 0.00 H new ATOM 0 HG LEU A 58 -10.908 -2.331 -3.312 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -8.650 -2.821 -4.167 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -8.736 -1.210 -3.416 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -7.982 -2.562 -2.538 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -10.086 -4.656 -3.357 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -9.473 -4.466 -1.697 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -11.222 -4.384 -2.015 1.00 0.00 H new ATOM 863 N CYS A 59 -11.343 -1.356 1.670 1.00 0.00 N ATOM 864 CA CYS A 59 -11.137 -1.507 3.106 1.00 0.00 C ATOM 865 C CYS A 59 -12.102 -2.534 3.689 1.00 0.00 C ATOM 866 O CYS A 59 -13.305 -2.484 3.437 1.00 0.00 O ATOM 867 CB CYS A 59 -11.317 -0.162 3.812 1.00 0.00 C ATOM 868 SG CYS A 59 -11.407 -0.281 5.614 1.00 0.00 S ATOM 0 H CYS A 59 -11.381 -0.389 1.349 1.00 0.00 H new ATOM 0 HA CYS A 59 -10.118 -1.860 3.267 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -10.487 0.492 3.543 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -12.228 0.311 3.444 1.00 0.00 H new ATOM 0 HG CYS A 59 -11.557 0.907 6.120 1.00 0.00 H new ATOM 874 N GLY A 60 -11.564 -3.468 4.468 1.00 0.00 N ATOM 875 CA GLY A 60 -12.392 -4.496 5.073 1.00 0.00 C ATOM 876 C GLY A 60 -12.422 -5.772 4.255 1.00 0.00 C ATOM 877 O GLY A 60 -12.656 -6.854 4.790 1.00 0.00 O ATOM 0 H GLY A 60 -10.571 -3.531 4.691 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -12.018 -4.718 6.073 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -13.408 -4.118 5.189 1.00 0.00 H new ATOM 881 N GLU A 61 -12.186 -5.644 2.952 1.00 0.00 N ATOM 882 CA GLU A 61 -12.189 -6.796 2.059 1.00 0.00 C ATOM 883 C GLU A 61 -10.878 -7.570 2.163 1.00 0.00 C ATOM 884 O GLU A 61 -9.796 -6.985 2.121 1.00 0.00 O ATOM 885 CB GLU A 61 -12.418 -6.349 0.613 1.00 0.00 C ATOM 886 CG GLU A 61 -13.824 -5.837 0.349 1.00 0.00 C ATOM 887 CD GLU A 61 -14.834 -6.958 0.202 1.00 0.00 C ATOM 888 OE1 GLU A 61 -14.735 -7.722 -0.780 1.00 0.00 O ATOM 889 OE2 GLU A 61 -15.724 -7.072 1.071 1.00 0.00 O ATOM 0 H GLU A 61 -11.991 -4.754 2.493 1.00 0.00 H new ATOM 0 HA GLU A 61 -13.004 -7.454 2.361 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -11.703 -5.564 0.367 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -12.214 -7.187 -0.054 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -14.128 -5.184 1.167 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -13.822 -5.233 -0.558 1.00 0.00 H new ATOM 896 N ASP A 62 -10.985 -8.887 2.299 1.00 0.00 N ATOM 897 CA ASP A 62 -9.808 -9.742 2.408 1.00 0.00 C ATOM 898 C ASP A 62 -9.337 -10.196 1.030 1.00 0.00 C ATOM 899 O ASP A 62 -10.076 -10.849 0.293 1.00 0.00 O ATOM 900 CB ASP A 62 -10.115 -10.958 3.282 1.00 0.00 C ATOM 901 CG ASP A 62 -10.340 -10.585 4.734 1.00 0.00 C ATOM 902 OD1 ASP A 62 -9.343 -10.444 5.473 1.00 0.00 O ATOM 903 OD2 ASP A 62 -11.514 -10.434 5.132 1.00 0.00 O ATOM 0 H ASP A 62 -11.874 -9.386 2.336 1.00 0.00 H new ATOM 0 HA ASP A 62 -9.010 -9.163 2.872 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -11.001 -11.463 2.898 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -9.290 -11.667 3.216 1.00 0.00 H new ATOM 908 N LEU A 63 -8.102 -9.845 0.687 1.00 0.00 N ATOM 909 CA LEU A 63 -7.532 -10.216 -0.603 1.00 0.00 C ATOM 910 C LEU A 63 -6.370 -11.189 -0.426 1.00 0.00 C ATOM 911 O LEU A 63 -5.629 -11.114 0.556 1.00 0.00 O ATOM 912 CB LEU A 63 -7.057 -8.969 -1.350 1.00 0.00 C ATOM 913 CG LEU A 63 -7.828 -7.680 -1.062 1.00 0.00 C ATOM 914 CD1 LEU A 63 -7.265 -6.527 -1.880 1.00 0.00 C ATOM 915 CD2 LEU A 63 -9.310 -7.869 -1.355 1.00 0.00 C ATOM 0 H LEU A 63 -7.477 -9.304 1.284 1.00 0.00 H new ATOM 0 HA LEU A 63 -8.309 -10.709 -1.187 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -6.007 -8.803 -1.108 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -7.110 -9.169 -2.420 1.00 0.00 H new ATOM 0 HG LEU A 63 -7.714 -7.439 -0.005 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -7.826 -5.618 -1.662 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -6.216 -6.377 -1.623 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -7.349 -6.759 -2.942 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -9.844 -6.942 -1.145 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -9.443 -8.134 -2.404 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -9.706 -8.666 -0.726 1.00 0.00 H new ATOM 927 N ILE A 64 -6.217 -12.100 -1.381 1.00 0.00 N ATOM 928 CA ILE A 64 -5.143 -13.085 -1.332 1.00 0.00 C ATOM 929 C ILE A 64 -4.050 -12.757 -2.343 1.00 0.00 C ATOM 930 O ILE A 64 -4.324 -12.562 -3.528 1.00 0.00 O ATOM 931 CB ILE A 64 -5.671 -14.506 -1.604 1.00 0.00 C ATOM 932 CG1 ILE A 64 -6.873 -14.807 -0.707 1.00 0.00 C ATOM 933 CG2 ILE A 64 -4.568 -15.530 -1.385 1.00 0.00 C ATOM 934 CD1 ILE A 64 -6.491 -15.200 0.704 1.00 0.00 C ATOM 0 H ILE A 64 -6.823 -12.177 -2.198 1.00 0.00 H new ATOM 0 HA ILE A 64 -4.725 -13.048 -0.326 1.00 0.00 H new ATOM 0 HB ILE A 64 -5.994 -14.566 -2.643 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -7.517 -13.928 -0.669 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -7.457 -15.611 -1.154 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -4.956 -16.530 -1.581 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -3.740 -15.323 -2.062 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -4.217 -15.472 -0.355 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -7.393 -15.399 1.283 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -5.872 -16.097 0.677 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -5.933 -14.388 1.169 1.00 0.00 H new ATOM 946 N ILE A 65 -2.810 -12.701 -1.869 1.00 0.00 N ATOM 947 CA ILE A 65 -1.675 -12.402 -2.732 1.00 0.00 C ATOM 948 C ILE A 65 -0.578 -13.450 -2.583 1.00 0.00 C ATOM 949 O ILE A 65 0.220 -13.401 -1.646 1.00 0.00 O ATOM 950 CB ILE A 65 -1.087 -11.011 -2.426 1.00 0.00 C ATOM 951 CG1 ILE A 65 -2.166 -9.936 -2.559 1.00 0.00 C ATOM 952 CG2 ILE A 65 0.082 -10.714 -3.354 1.00 0.00 C ATOM 953 CD1 ILE A 65 -1.735 -8.581 -2.042 1.00 0.00 C ATOM 0 H ILE A 65 -2.566 -12.859 -0.891 1.00 0.00 H new ATOM 0 HA ILE A 65 -2.046 -12.414 -3.757 1.00 0.00 H new ATOM 0 HB ILE A 65 -0.721 -11.006 -1.399 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -2.448 -9.843 -3.608 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -3.056 -10.257 -2.017 1.00 0.00 H new ATOM 0 HG21 ILE A 65 0.487 -9.728 -3.125 1.00 0.00 H new ATOM 0 HG22 ILE A 65 0.858 -11.466 -3.214 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -0.260 -10.735 -4.389 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -2.549 -7.868 -2.168 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -1.481 -8.659 -0.985 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -0.864 -8.239 -2.600 1.00 0.00 H new ATOM 965 N LYS A 66 -0.543 -14.398 -3.512 1.00 0.00 N ATOM 966 CA LYS A 66 0.459 -15.458 -3.487 1.00 0.00 C ATOM 967 C LYS A 66 0.087 -16.533 -2.469 1.00 0.00 C ATOM 968 O LYS A 66 0.889 -17.414 -2.162 1.00 0.00 O ATOM 969 CB LYS A 66 1.835 -14.879 -3.155 1.00 0.00 C ATOM 970 CG LYS A 66 2.057 -13.483 -3.707 1.00 0.00 C ATOM 971 CD LYS A 66 3.459 -13.322 -4.271 1.00 0.00 C ATOM 972 CE LYS A 66 3.601 -14.016 -5.616 1.00 0.00 C ATOM 973 NZ LYS A 66 4.931 -14.670 -5.766 1.00 0.00 N ATOM 0 H LYS A 66 -1.197 -14.455 -4.293 1.00 0.00 H new ATOM 0 HA LYS A 66 0.494 -15.915 -4.476 1.00 0.00 H new ATOM 0 HB2 LYS A 66 1.959 -14.856 -2.072 1.00 0.00 H new ATOM 0 HB3 LYS A 66 2.604 -15.543 -3.550 1.00 0.00 H new ATOM 0 HG2 LYS A 66 1.324 -13.279 -4.488 1.00 0.00 H new ATOM 0 HG3 LYS A 66 1.895 -12.749 -2.918 1.00 0.00 H new ATOM 0 HD2 LYS A 66 3.689 -12.262 -4.381 1.00 0.00 H new ATOM 0 HD3 LYS A 66 4.184 -13.734 -3.569 1.00 0.00 H new ATOM 0 HE2 LYS A 66 2.815 -14.763 -5.724 1.00 0.00 H new ATOM 0 HE3 LYS A 66 3.462 -13.289 -6.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 4.988 -15.132 -6.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 5.681 -13.954 -5.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 5.054 -15.382 -5.018 1.00 0.00 H new ATOM 987 N GLY A 67 -1.135 -16.455 -1.952 1.00 0.00 N ATOM 988 CA GLY A 67 -1.591 -17.427 -0.976 1.00 0.00 C ATOM 989 C GLY A 67 -1.971 -16.789 0.345 1.00 0.00 C ATOM 990 O GLY A 67 -2.948 -17.190 0.978 1.00 0.00 O ATOM 0 H GLY A 67 -1.818 -15.736 -2.192 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -2.451 -17.964 -1.377 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -0.806 -18.164 -0.807 1.00 0.00 H new ATOM 994 N ILE A 68 -1.196 -15.793 0.764 1.00 0.00 N ATOM 995 CA ILE A 68 -1.457 -15.099 2.019 1.00 0.00 C ATOM 996 C ILE A 68 -2.605 -14.106 1.869 1.00 0.00 C ATOM 997 O ILE A 68 -2.882 -13.622 0.771 1.00 0.00 O ATOM 998 CB ILE A 68 -0.208 -14.351 2.518 1.00 0.00 C ATOM 999 CG1 ILE A 68 0.098 -13.159 1.610 1.00 0.00 C ATOM 1000 CG2 ILE A 68 0.984 -15.294 2.583 1.00 0.00 C ATOM 1001 CD1 ILE A 68 -0.529 -11.865 2.078 1.00 0.00 C ATOM 0 H ILE A 68 -0.383 -15.449 0.253 1.00 0.00 H new ATOM 0 HA ILE A 68 -1.731 -15.860 2.750 1.00 0.00 H new ATOM 0 HB ILE A 68 -0.405 -13.976 3.522 1.00 0.00 H new ATOM 0 HG12 ILE A 68 1.178 -13.028 1.548 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -0.255 -13.380 0.603 1.00 0.00 H new ATOM 0 HG21 ILE A 68 1.859 -14.750 2.938 1.00 0.00 H new ATOM 0 HG22 ILE A 68 0.763 -16.113 3.268 1.00 0.00 H new ATOM 0 HG23 ILE A 68 1.184 -15.696 1.590 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -0.269 -11.064 1.386 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -1.613 -11.977 2.113 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -0.158 -11.620 3.073 1.00 0.00 H new ATOM 1013 N SER A 69 -3.269 -13.805 2.981 1.00 0.00 N ATOM 1014 CA SER A 69 -4.389 -12.871 2.974 1.00 0.00 C ATOM 1015 C SER A 69 -4.009 -11.564 3.663 1.00 0.00 C ATOM 1016 O SER A 69 -3.332 -11.564 4.691 1.00 0.00 O ATOM 1017 CB SER A 69 -5.603 -13.492 3.666 1.00 0.00 C ATOM 1018 OG SER A 69 -6.801 -12.848 3.268 1.00 0.00 O ATOM 0 H SER A 69 -3.051 -14.194 3.898 1.00 0.00 H new ATOM 0 HA SER A 69 -4.644 -12.654 1.937 1.00 0.00 H new ATOM 0 HB2 SER A 69 -5.660 -14.554 3.425 1.00 0.00 H new ATOM 0 HB3 SER A 69 -5.488 -13.416 4.747 1.00 0.00 H new ATOM 0 HG SER A 69 -7.563 -13.264 3.723 1.00 0.00 H new ATOM 1024 N VAL A 70 -4.451 -10.450 3.087 1.00 0.00 N ATOM 1025 CA VAL A 70 -4.159 -9.134 3.646 1.00 0.00 C ATOM 1026 C VAL A 70 -5.443 -8.376 3.966 1.00 0.00 C ATOM 1027 O VAL A 70 -6.456 -8.532 3.283 1.00 0.00 O ATOM 1028 CB VAL A 70 -3.306 -8.291 2.680 1.00 0.00 C ATOM 1029 CG1 VAL A 70 -1.948 -8.941 2.461 1.00 0.00 C ATOM 1030 CG2 VAL A 70 -4.033 -8.097 1.358 1.00 0.00 C ATOM 0 H VAL A 70 -5.012 -10.432 2.235 1.00 0.00 H new ATOM 0 HA VAL A 70 -3.598 -9.298 4.566 1.00 0.00 H new ATOM 0 HB VAL A 70 -3.145 -7.310 3.127 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -1.359 -8.331 1.776 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -1.426 -9.023 3.414 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -2.085 -9.935 2.036 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -3.416 -7.499 0.688 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -4.227 -9.069 0.903 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -4.978 -7.584 1.535 1.00 0.00 H new ATOM 1040 N HIS A 71 -5.395 -7.556 5.010 1.00 0.00 N ATOM 1041 CA HIS A 71 -6.554 -6.772 5.421 1.00 0.00 C ATOM 1042 C HIS A 71 -6.407 -5.316 4.987 1.00 0.00 C ATOM 1043 O HIS A 71 -5.517 -4.606 5.456 1.00 0.00 O ATOM 1044 CB HIS A 71 -6.736 -6.848 6.937 1.00 0.00 C ATOM 1045 CG HIS A 71 -7.665 -5.807 7.482 1.00 0.00 C ATOM 1046 ND1 HIS A 71 -8.927 -6.096 7.955 1.00 0.00 N ATOM 1047 CD2 HIS A 71 -7.507 -4.470 7.628 1.00 0.00 C ATOM 1048 CE1 HIS A 71 -9.507 -4.983 8.368 1.00 0.00 C ATOM 1049 NE2 HIS A 71 -8.666 -3.981 8.181 1.00 0.00 N ATOM 0 H HIS A 71 -4.566 -7.417 5.587 1.00 0.00 H new ATOM 0 HA HIS A 71 -7.435 -7.191 4.935 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -7.116 -7.835 7.200 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -5.763 -6.742 7.417 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -6.633 -3.895 7.360 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -10.499 -4.905 8.787 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -8.848 -3.004 8.410 1.00 0.00 H new ATOM 1057 N ILE A 72 -7.286 -4.880 4.090 1.00 0.00 N ATOM 1058 CA ILE A 72 -7.253 -3.510 3.594 1.00 0.00 C ATOM 1059 C ILE A 72 -7.879 -2.547 4.598 1.00 0.00 C ATOM 1060 O ILE A 72 -8.955 -2.809 5.136 1.00 0.00 O ATOM 1061 CB ILE A 72 -7.989 -3.382 2.247 1.00 0.00 C ATOM 1062 CG1 ILE A 72 -7.476 -4.429 1.259 1.00 0.00 C ATOM 1063 CG2 ILE A 72 -7.815 -1.980 1.681 1.00 0.00 C ATOM 1064 CD1 ILE A 72 -6.003 -4.292 0.942 1.00 0.00 C ATOM 0 H ILE A 72 -8.029 -5.455 3.693 1.00 0.00 H new ATOM 0 HA ILE A 72 -6.204 -3.250 3.451 1.00 0.00 H new ATOM 0 HB ILE A 72 -9.052 -3.557 2.412 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -7.660 -5.423 1.667 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -8.047 -4.354 0.334 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -8.340 -1.904 0.729 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -8.225 -1.252 2.381 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -6.755 -1.779 1.527 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -5.709 -5.068 0.235 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -5.815 -3.312 0.504 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -5.422 -4.398 1.858 1.00 0.00 H new ATOM 1076 N SER A 73 -7.200 -1.432 4.842 1.00 0.00 N ATOM 1077 CA SER A 73 -7.688 -0.429 5.782 1.00 0.00 C ATOM 1078 C SER A 73 -7.342 0.978 5.304 1.00 0.00 C ATOM 1079 O SER A 73 -6.188 1.275 5.000 1.00 0.00 O ATOM 1080 CB SER A 73 -7.093 -0.669 7.171 1.00 0.00 C ATOM 1081 OG SER A 73 -8.062 -0.462 8.184 1.00 0.00 O ATOM 0 H SER A 73 -6.310 -1.199 4.402 1.00 0.00 H new ATOM 0 HA SER A 73 -8.773 -0.518 5.839 1.00 0.00 H new ATOM 0 HB2 SER A 73 -6.708 -1.687 7.234 1.00 0.00 H new ATOM 0 HB3 SER A 73 -6.248 0.002 7.329 1.00 0.00 H new ATOM 0 HG SER A 73 -7.657 -0.623 9.062 1.00 0.00 H new