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 94:sc= 0.0188 USER MOD Set 1.2: A 17 MET CE :methyl 158:sc= -2.34! (180deg=-3.42!) USER MOD Single : A 13 CYS SG : rot -73:sc= 0.912 USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.426 USER MOD Single : A 27 SER OG : rot 180:sc= -0.291 USER MOD Single : A 28 GLN : amide:sc= 0.0202 X(o=0.02,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+ -111:sc= -2.18 (180deg=-2.74) USER MOD Single : A 48 THR OG1 : rot -23:sc= 0.0356 USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 GLN : amide:sc= 0 K(o=0,f=-0.88) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 CYS SG : rot 180:sc= -0.0306 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 Single : A 71 HIS : no HD1:sc= -0.347 X(o=-0.35,f=-0.005) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -5.676 6.524 0.005 1.00 0.00 N ATOM 60 CA GLY A 7 -4.813 5.360 0.072 1.00 0.00 C ATOM 61 C GLY A 7 -5.160 4.446 1.230 1.00 0.00 C ATOM 62 O GLY A 7 -5.917 4.824 2.123 1.00 0.00 O ATOM 0 HA2 GLY A 7 -4.887 4.802 -0.862 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.777 5.685 0.168 1.00 0.00 H new ATOM 66 N VAL A 8 -4.606 3.238 1.215 1.00 0.00 N ATOM 67 CA VAL A 8 -4.862 2.266 2.272 1.00 0.00 C ATOM 68 C VAL A 8 -3.583 1.541 2.674 1.00 0.00 C ATOM 69 O VAL A 8 -2.632 1.460 1.896 1.00 0.00 O ATOM 70 CB VAL A 8 -5.913 1.227 1.837 1.00 0.00 C ATOM 71 CG1 VAL A 8 -7.249 1.901 1.566 1.00 0.00 C ATOM 72 CG2 VAL A 8 -5.432 0.465 0.612 1.00 0.00 C ATOM 0 H VAL A 8 -3.977 2.909 0.483 1.00 0.00 H new ATOM 0 HA VAL A 8 -5.245 2.823 3.127 1.00 0.00 H new ATOM 0 HB VAL A 8 -6.052 0.513 2.649 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -7.979 1.152 1.260 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -7.597 2.397 2.472 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -7.130 2.638 0.771 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -6.186 -0.265 0.318 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -5.264 1.163 -0.208 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -4.501 -0.050 0.847 1.00 0.00 H new ATOM 82 N PHE A 9 -3.565 1.016 3.894 1.00 0.00 N ATOM 83 CA PHE A 9 -2.401 0.298 4.401 1.00 0.00 C ATOM 84 C PHE A 9 -2.562 -1.207 4.203 1.00 0.00 C ATOM 85 O PHE A 9 -3.466 -1.825 4.766 1.00 0.00 O ATOM 86 CB PHE A 9 -2.189 0.608 5.884 1.00 0.00 C ATOM 87 CG PHE A 9 -1.546 1.943 6.130 1.00 0.00 C ATOM 88 CD1 PHE A 9 -0.172 2.093 6.032 1.00 0.00 C ATOM 89 CD2 PHE A 9 -2.314 3.047 6.461 1.00 0.00 C ATOM 90 CE1 PHE A 9 0.424 3.319 6.258 1.00 0.00 C ATOM 91 CE2 PHE A 9 -1.724 4.276 6.688 1.00 0.00 C ATOM 92 CZ PHE A 9 -0.353 4.412 6.587 1.00 0.00 C ATOM 0 H PHE A 9 -4.343 1.074 4.551 1.00 0.00 H new ATOM 0 HA PHE A 9 -1.528 0.630 3.839 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -3.151 0.577 6.395 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -1.569 -0.172 6.325 1.00 0.00 H new ATOM 0 HD1 PHE A 9 0.441 1.241 5.776 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -3.386 2.946 6.543 1.00 0.00 H new ATOM 0 HE1 PHE A 9 1.496 3.422 6.177 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -2.334 5.129 6.944 1.00 0.00 H new ATOM 0 HZ PHE A 9 0.110 5.371 6.765 1.00 0.00 H new ATOM 102 N VAL A 10 -1.680 -1.790 3.398 1.00 0.00 N ATOM 103 CA VAL A 10 -1.723 -3.221 3.125 1.00 0.00 C ATOM 104 C VAL A 10 -0.826 -3.992 4.088 1.00 0.00 C ATOM 105 O VAL A 10 0.343 -4.243 3.798 1.00 0.00 O ATOM 106 CB VAL A 10 -1.290 -3.530 1.680 1.00 0.00 C ATOM 107 CG1 VAL A 10 -1.488 -5.006 1.366 1.00 0.00 C ATOM 108 CG2 VAL A 10 -2.058 -2.660 0.695 1.00 0.00 C ATOM 0 H VAL A 10 -0.927 -1.293 2.923 1.00 0.00 H new ATOM 0 HA VAL A 10 -2.757 -3.538 3.263 1.00 0.00 H new ATOM 0 HB VAL A 10 -0.229 -3.301 1.582 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -1.177 -5.205 0.341 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -0.889 -5.607 2.050 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -2.540 -5.265 1.482 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.739 -2.892 -0.321 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -3.126 -2.855 0.793 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -1.860 -1.609 0.906 1.00 0.00 H new ATOM 118 N GLY A 11 -1.383 -4.364 5.237 1.00 0.00 N ATOM 119 CA GLY A 11 -0.620 -5.102 6.226 1.00 0.00 C ATOM 120 C GLY A 11 -0.654 -6.598 5.986 1.00 0.00 C ATOM 121 O GLY A 11 -1.136 -7.056 4.950 1.00 0.00 O ATOM 0 H GLY A 11 -2.349 -4.167 5.500 1.00 0.00 H new ATOM 0 HA2 GLY A 11 0.414 -4.758 6.213 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -1.015 -4.887 7.219 1.00 0.00 H new ATOM 125 N ARG A 12 -0.141 -7.362 6.945 1.00 0.00 N ATOM 126 CA ARG A 12 -0.112 -8.815 6.832 1.00 0.00 C ATOM 127 C ARG A 12 0.810 -9.254 5.699 1.00 0.00 C ATOM 128 O ARG A 12 0.835 -10.428 5.326 1.00 0.00 O ATOM 129 CB ARG A 12 -1.523 -9.356 6.595 1.00 0.00 C ATOM 130 CG ARG A 12 -2.532 -8.907 7.639 1.00 0.00 C ATOM 131 CD ARG A 12 -3.123 -10.090 8.389 1.00 0.00 C ATOM 132 NE ARG A 12 -3.504 -9.738 9.754 1.00 0.00 N ATOM 133 CZ ARG A 12 -2.641 -9.652 10.759 1.00 0.00 C ATOM 134 NH1 ARG A 12 -1.353 -9.891 10.555 1.00 0.00 N ATOM 135 NH2 ARG A 12 -3.065 -9.326 11.974 1.00 0.00 N ATOM 0 H ARG A 12 0.260 -6.998 7.809 1.00 0.00 H new ATOM 0 HA ARG A 12 0.273 -9.220 7.768 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -1.865 -9.036 5.611 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -1.488 -10.445 6.581 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -2.050 -8.231 8.345 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -3.331 -8.345 7.156 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -3.997 -10.459 7.853 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -2.397 -10.903 8.413 1.00 0.00 H new ATOM 0 HE ARG A 12 -4.488 -9.548 9.946 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -1.022 -10.142 9.623 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -0.693 -9.824 11.330 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -4.055 -9.141 12.136 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -2.401 -9.260 12.745 1.00 0.00 H new ATOM 149 N CYS A 13 1.565 -8.305 5.155 1.00 0.00 N ATOM 150 CA CYS A 13 2.488 -8.594 4.064 1.00 0.00 C ATOM 151 C CYS A 13 3.723 -9.329 4.576 1.00 0.00 C ATOM 152 O CYS A 13 3.847 -9.600 5.771 1.00 0.00 O ATOM 153 CB CYS A 13 2.903 -7.299 3.364 1.00 0.00 C ATOM 154 SG CYS A 13 1.863 -6.857 1.953 1.00 0.00 S ATOM 0 H CYS A 13 1.556 -7.329 5.452 1.00 0.00 H new ATOM 0 HA CYS A 13 1.976 -9.238 3.348 1.00 0.00 H new ATOM 0 HB2 CYS A 13 2.881 -6.484 4.088 1.00 0.00 H new ATOM 0 HB3 CYS A 13 3.934 -7.396 3.025 1.00 0.00 H new ATOM 0 HG CYS A 13 2.121 -7.653 0.958 1.00 0.00 H new ATOM 160 N THR A 14 4.635 -9.650 3.663 1.00 0.00 N ATOM 161 CA THR A 14 5.858 -10.356 4.021 1.00 0.00 C ATOM 162 C THR A 14 7.076 -9.710 3.369 1.00 0.00 C ATOM 163 O THR A 14 8.182 -10.246 3.429 1.00 0.00 O ATOM 164 CB THR A 14 5.794 -11.838 3.606 1.00 0.00 C ATOM 165 OG1 THR A 14 5.342 -11.948 2.252 1.00 0.00 O ATOM 166 CG2 THR A 14 4.862 -12.617 4.522 1.00 0.00 C ATOM 0 H THR A 14 4.549 -9.432 2.670 1.00 0.00 H new ATOM 0 HA THR A 14 5.953 -10.294 5.105 1.00 0.00 H new ATOM 0 HB THR A 14 6.796 -12.260 3.690 1.00 0.00 H new ATOM 0 HG1 THR A 14 6.115 -11.996 1.652 1.00 0.00 H new ATOM 0 HG21 THR A 14 4.833 -13.661 4.209 1.00 0.00 H new ATOM 0 HG22 THR A 14 5.225 -12.556 5.548 1.00 0.00 H new ATOM 0 HG23 THR A 14 3.859 -12.194 4.466 1.00 0.00 H new ATOM 174 N GLY A 15 6.865 -8.554 2.747 1.00 0.00 N ATOM 175 CA GLY A 15 7.956 -7.853 2.095 1.00 0.00 C ATOM 176 C GLY A 15 8.169 -8.316 0.667 1.00 0.00 C ATOM 177 O GLY A 15 8.318 -7.498 -0.242 1.00 0.00 O ATOM 0 H GLY A 15 5.959 -8.091 2.683 1.00 0.00 H new ATOM 0 HA2 GLY A 15 7.751 -6.782 2.100 1.00 0.00 H new ATOM 0 HA3 GLY A 15 8.873 -8.005 2.664 1.00 0.00 H new ATOM 181 N ASP A 16 8.185 -9.629 0.468 1.00 0.00 N ATOM 182 CA ASP A 16 8.381 -10.199 -0.860 1.00 0.00 C ATOM 183 C ASP A 16 7.620 -9.399 -1.913 1.00 0.00 C ATOM 184 O ASP A 16 8.177 -9.028 -2.946 1.00 0.00 O ATOM 185 CB ASP A 16 7.928 -11.659 -0.884 1.00 0.00 C ATOM 186 CG ASP A 16 8.583 -12.487 0.204 1.00 0.00 C ATOM 187 OD1 ASP A 16 8.427 -12.134 1.392 1.00 0.00 O ATOM 188 OD2 ASP A 16 9.250 -13.487 -0.132 1.00 0.00 O ATOM 0 H ASP A 16 8.065 -10.319 1.209 1.00 0.00 H new ATOM 0 HA ASP A 16 9.445 -10.153 -1.094 1.00 0.00 H new ATOM 0 HB2 ASP A 16 6.845 -11.702 -0.767 1.00 0.00 H new ATOM 0 HB3 ASP A 16 8.161 -12.093 -1.856 1.00 0.00 H new ATOM 193 N MET A 17 6.346 -9.138 -1.643 1.00 0.00 N ATOM 194 CA MET A 17 5.508 -8.382 -2.568 1.00 0.00 C ATOM 195 C MET A 17 6.119 -7.016 -2.861 1.00 0.00 C ATOM 196 O MET A 17 6.109 -6.124 -2.012 1.00 0.00 O ATOM 197 CB MET A 17 4.101 -8.213 -1.992 1.00 0.00 C ATOM 198 CG MET A 17 3.514 -9.499 -1.435 1.00 0.00 C ATOM 199 SD MET A 17 3.002 -9.339 0.287 1.00 0.00 S ATOM 200 CE MET A 17 2.330 -10.971 0.594 1.00 0.00 C ATOM 0 H MET A 17 5.871 -9.438 -0.792 1.00 0.00 H new ATOM 0 HA MET A 17 5.445 -8.940 -3.502 1.00 0.00 H new ATOM 0 HB2 MET A 17 4.129 -7.463 -1.201 1.00 0.00 H new ATOM 0 HB3 MET A 17 3.442 -7.830 -2.771 1.00 0.00 H new ATOM 0 HG2 MET A 17 2.656 -9.794 -2.039 1.00 0.00 H new ATOM 0 HG3 MET A 17 4.252 -10.297 -1.518 1.00 0.00 H new ATOM 0 HE1 MET A 17 2.334 -11.170 1.666 1.00 0.00 H new ATOM 0 HE2 MET A 17 1.308 -11.020 0.220 1.00 0.00 H new ATOM 0 HE3 MET A 17 2.939 -11.717 0.084 1.00 0.00 H new ATOM 210 N THR A 18 6.651 -6.857 -4.069 1.00 0.00 N ATOM 211 CA THR A 18 7.268 -5.600 -4.473 1.00 0.00 C ATOM 212 C THR A 18 6.212 -4.570 -4.859 1.00 0.00 C ATOM 213 O THR A 18 5.131 -4.922 -5.328 1.00 0.00 O ATOM 214 CB THR A 18 8.229 -5.801 -5.659 1.00 0.00 C ATOM 215 OG1 THR A 18 7.584 -6.554 -6.692 1.00 0.00 O ATOM 216 CG2 THR A 18 9.493 -6.522 -5.214 1.00 0.00 C ATOM 0 H THR A 18 6.667 -7.584 -4.785 1.00 0.00 H new ATOM 0 HA THR A 18 7.833 -5.235 -3.615 1.00 0.00 H new ATOM 0 HB THR A 18 8.505 -4.819 -6.044 1.00 0.00 H new ATOM 0 HG1 THR A 18 8.202 -6.675 -7.443 1.00 0.00 H new ATOM 0 HG21 THR A 18 10.157 -6.653 -6.068 1.00 0.00 H new ATOM 0 HG22 THR A 18 9.998 -5.932 -4.449 1.00 0.00 H new ATOM 0 HG23 THR A 18 9.231 -7.498 -4.806 1.00 0.00 H new ATOM 224 N GLU A 19 6.535 -3.295 -4.659 1.00 0.00 N ATOM 225 CA GLU A 19 5.612 -2.214 -4.987 1.00 0.00 C ATOM 226 C GLU A 19 4.935 -2.466 -6.330 1.00 0.00 C ATOM 227 O GLU A 19 3.763 -2.134 -6.519 1.00 0.00 O ATOM 228 CB GLU A 19 6.352 -0.875 -5.020 1.00 0.00 C ATOM 229 CG GLU A 19 6.932 -0.467 -3.676 1.00 0.00 C ATOM 230 CD GLU A 19 8.376 -0.014 -3.776 1.00 0.00 C ATOM 231 OE1 GLU A 19 9.216 -0.812 -4.241 1.00 0.00 O ATOM 232 OE2 GLU A 19 8.665 1.138 -3.390 1.00 0.00 O ATOM 0 H GLU A 19 7.427 -2.986 -4.272 1.00 0.00 H new ATOM 0 HA GLU A 19 4.845 -2.178 -4.214 1.00 0.00 H new ATOM 0 HB2 GLU A 19 7.158 -0.933 -5.752 1.00 0.00 H new ATOM 0 HB3 GLU A 19 5.667 -0.099 -5.361 1.00 0.00 H new ATOM 0 HG2 GLU A 19 6.331 0.339 -3.255 1.00 0.00 H new ATOM 0 HG3 GLU A 19 6.866 -1.308 -2.986 1.00 0.00 H new ATOM 239 N ASP A 20 5.678 -3.054 -7.261 1.00 0.00 N ATOM 240 CA ASP A 20 5.150 -3.352 -8.586 1.00 0.00 C ATOM 241 C ASP A 20 4.102 -4.457 -8.518 1.00 0.00 C ATOM 242 O ASP A 20 2.956 -4.265 -8.925 1.00 0.00 O ATOM 243 CB ASP A 20 6.282 -3.762 -9.530 1.00 0.00 C ATOM 244 CG ASP A 20 7.233 -2.619 -9.826 1.00 0.00 C ATOM 245 OD1 ASP A 20 6.787 -1.452 -9.791 1.00 0.00 O ATOM 246 OD2 ASP A 20 8.422 -2.890 -10.093 1.00 0.00 O ATOM 0 H ASP A 20 6.649 -3.334 -7.122 1.00 0.00 H new ATOM 0 HA ASP A 20 4.675 -2.450 -8.972 1.00 0.00 H new ATOM 0 HB2 ASP A 20 6.839 -4.588 -9.088 1.00 0.00 H new ATOM 0 HB3 ASP A 20 5.857 -4.128 -10.465 1.00 0.00 H new ATOM 251 N GLU A 21 4.503 -5.615 -8.003 1.00 0.00 N ATOM 252 CA GLU A 21 3.597 -6.753 -7.885 1.00 0.00 C ATOM 253 C GLU A 21 2.226 -6.306 -7.386 1.00 0.00 C ATOM 254 O GLU A 21 1.205 -6.573 -8.021 1.00 0.00 O ATOM 255 CB GLU A 21 4.182 -7.800 -6.935 1.00 0.00 C ATOM 256 CG GLU A 21 5.426 -8.484 -7.475 1.00 0.00 C ATOM 257 CD GLU A 21 5.102 -9.649 -8.390 1.00 0.00 C ATOM 258 OE1 GLU A 21 4.576 -10.667 -7.893 1.00 0.00 O ATOM 259 OE2 GLU A 21 5.375 -9.543 -9.604 1.00 0.00 O ATOM 0 H GLU A 21 5.448 -5.790 -7.661 1.00 0.00 H new ATOM 0 HA GLU A 21 3.478 -7.196 -8.874 1.00 0.00 H new ATOM 0 HB2 GLU A 21 4.424 -7.322 -5.986 1.00 0.00 H new ATOM 0 HB3 GLU A 21 3.423 -8.555 -6.728 1.00 0.00 H new ATOM 0 HG2 GLU A 21 6.029 -7.757 -8.019 1.00 0.00 H new ATOM 0 HG3 GLU A 21 6.031 -8.839 -6.641 1.00 0.00 H new ATOM 266 N LEU A 22 2.211 -5.626 -6.245 1.00 0.00 N ATOM 267 CA LEU A 22 0.966 -5.143 -5.659 1.00 0.00 C ATOM 268 C LEU A 22 0.309 -4.102 -6.560 1.00 0.00 C ATOM 269 O LEU A 22 -0.917 -4.022 -6.642 1.00 0.00 O ATOM 270 CB LEU A 22 1.228 -4.544 -4.276 1.00 0.00 C ATOM 271 CG LEU A 22 1.641 -5.533 -3.184 1.00 0.00 C ATOM 272 CD1 LEU A 22 2.623 -4.886 -2.222 1.00 0.00 C ATOM 273 CD2 LEU A 22 0.418 -6.044 -2.437 1.00 0.00 C ATOM 0 H LEU A 22 3.047 -5.397 -5.707 1.00 0.00 H new ATOM 0 HA LEU A 22 0.288 -5.990 -5.558 1.00 0.00 H new ATOM 0 HB2 LEU A 22 2.010 -3.790 -4.371 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.326 -4.028 -3.949 1.00 0.00 H new ATOM 0 HG LEU A 22 2.134 -6.382 -3.657 1.00 0.00 H new ATOM 0 HD11 LEU A 22 2.905 -5.604 -1.452 1.00 0.00 H new ATOM 0 HD12 LEU A 22 3.512 -4.570 -2.767 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.157 -4.018 -1.755 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.731 -6.746 -1.664 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.103 -5.205 -1.976 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.251 -6.547 -3.135 1.00 0.00 H new ATOM 285 N ARG A 23 1.133 -3.306 -7.234 1.00 0.00 N ATOM 286 CA ARG A 23 0.631 -2.269 -8.129 1.00 0.00 C ATOM 287 C ARG A 23 -0.133 -2.884 -9.299 1.00 0.00 C ATOM 288 O ARG A 23 -1.095 -2.304 -9.797 1.00 0.00 O ATOM 289 CB ARG A 23 1.788 -1.417 -8.654 1.00 0.00 C ATOM 290 CG ARG A 23 1.390 -0.482 -9.785 1.00 0.00 C ATOM 291 CD ARG A 23 2.431 0.606 -9.999 1.00 0.00 C ATOM 292 NE ARG A 23 2.079 1.489 -11.109 1.00 0.00 N ATOM 293 CZ ARG A 23 2.576 2.711 -11.261 1.00 0.00 C ATOM 294 NH1 ARG A 23 3.441 3.194 -10.380 1.00 0.00 N ATOM 295 NH2 ARG A 23 2.208 3.454 -12.297 1.00 0.00 N ATOM 0 H ARG A 23 2.150 -3.359 -7.178 1.00 0.00 H new ATOM 0 HA ARG A 23 -0.052 -1.635 -7.564 1.00 0.00 H new ATOM 0 HB2 ARG A 23 2.196 -0.828 -7.833 1.00 0.00 H new ATOM 0 HB3 ARG A 23 2.585 -2.075 -9.001 1.00 0.00 H new ATOM 0 HG2 ARG A 23 1.265 -1.054 -10.705 1.00 0.00 H new ATOM 0 HG3 ARG A 23 0.426 -0.026 -9.560 1.00 0.00 H new ATOM 0 HD2 ARG A 23 2.534 1.194 -9.087 1.00 0.00 H new ATOM 0 HD3 ARG A 23 3.400 0.147 -10.194 1.00 0.00 H new ATOM 0 HE ARG A 23 1.416 1.148 -11.805 1.00 0.00 H new ATOM 0 HH11 ARG A 23 3.727 2.627 -9.582 1.00 0.00 H new ATOM 0 HH12 ARG A 23 3.821 4.133 -10.500 1.00 0.00 H new ATOM 0 HH21 ARG A 23 1.543 3.087 -12.977 1.00 0.00 H new ATOM 0 HH22 ARG A 23 2.590 4.393 -12.413 1.00 0.00 H new ATOM 309 N GLU A 24 0.304 -4.063 -9.731 1.00 0.00 N ATOM 310 CA GLU A 24 -0.338 -4.755 -10.842 1.00 0.00 C ATOM 311 C GLU A 24 -1.457 -5.664 -10.342 1.00 0.00 C ATOM 312 O GLU A 24 -2.278 -6.143 -11.125 1.00 0.00 O ATOM 313 CB GLU A 24 0.690 -5.577 -11.623 1.00 0.00 C ATOM 314 CG GLU A 24 1.120 -4.931 -12.929 1.00 0.00 C ATOM 315 CD GLU A 24 2.614 -4.691 -12.999 1.00 0.00 C ATOM 316 OE1 GLU A 24 3.363 -5.400 -12.293 1.00 0.00 O ATOM 317 OE2 GLU A 24 3.036 -3.794 -13.758 1.00 0.00 O ATOM 0 H GLU A 24 1.100 -4.558 -9.328 1.00 0.00 H new ATOM 0 HA GLU A 24 -0.770 -4.004 -11.503 1.00 0.00 H new ATOM 0 HB2 GLU A 24 1.569 -5.733 -10.998 1.00 0.00 H new ATOM 0 HB3 GLU A 24 0.271 -6.561 -11.835 1.00 0.00 H new ATOM 0 HG2 GLU A 24 0.819 -5.568 -13.761 1.00 0.00 H new ATOM 0 HG3 GLU A 24 0.598 -3.982 -13.049 1.00 0.00 H new ATOM 324 N PHE A 25 -1.482 -5.898 -9.034 1.00 0.00 N ATOM 325 CA PHE A 25 -2.499 -6.750 -8.430 1.00 0.00 C ATOM 326 C PHE A 25 -3.762 -5.951 -8.114 1.00 0.00 C ATOM 327 O PHE A 25 -4.878 -6.420 -8.334 1.00 0.00 O ATOM 328 CB PHE A 25 -1.960 -7.397 -7.153 1.00 0.00 C ATOM 329 CG PHE A 25 -3.001 -8.154 -6.378 1.00 0.00 C ATOM 330 CD1 PHE A 25 -3.776 -7.513 -5.425 1.00 0.00 C ATOM 331 CD2 PHE A 25 -3.204 -9.506 -6.602 1.00 0.00 C ATOM 332 CE1 PHE A 25 -4.734 -8.206 -4.710 1.00 0.00 C ATOM 333 CE2 PHE A 25 -4.160 -10.205 -5.890 1.00 0.00 C ATOM 334 CZ PHE A 25 -4.928 -9.554 -4.944 1.00 0.00 C ATOM 0 H PHE A 25 -0.810 -5.510 -8.372 1.00 0.00 H new ATOM 0 HA PHE A 25 -2.754 -7.531 -9.146 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -1.148 -8.076 -7.414 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -1.535 -6.623 -6.514 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -3.630 -6.459 -5.239 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -2.608 -10.020 -7.342 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -5.331 -7.695 -3.969 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -4.307 -11.259 -6.073 1.00 0.00 H new ATOM 0 HZ PHE A 25 -5.678 -10.097 -4.389 1.00 0.00 H new ATOM 344 N PHE A 26 -3.574 -4.741 -7.597 1.00 0.00 N ATOM 345 CA PHE A 26 -4.696 -3.877 -7.249 1.00 0.00 C ATOM 346 C PHE A 26 -5.169 -3.084 -8.464 1.00 0.00 C ATOM 347 O PHE A 26 -6.128 -2.318 -8.383 1.00 0.00 O ATOM 348 CB PHE A 26 -4.299 -2.918 -6.124 1.00 0.00 C ATOM 349 CG PHE A 26 -4.422 -3.521 -4.753 1.00 0.00 C ATOM 350 CD1 PHE A 26 -5.668 -3.789 -4.210 1.00 0.00 C ATOM 351 CD2 PHE A 26 -3.292 -3.817 -4.009 1.00 0.00 C ATOM 352 CE1 PHE A 26 -5.783 -4.342 -2.948 1.00 0.00 C ATOM 353 CE2 PHE A 26 -3.401 -4.370 -2.747 1.00 0.00 C ATOM 354 CZ PHE A 26 -4.649 -4.634 -2.216 1.00 0.00 C ATOM 0 H PHE A 26 -2.656 -4.337 -7.410 1.00 0.00 H new ATOM 0 HA PHE A 26 -5.516 -4.509 -6.907 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -3.270 -2.594 -6.279 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -4.925 -2.027 -6.178 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -6.558 -3.564 -4.778 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -2.314 -3.613 -4.420 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -6.760 -4.546 -2.535 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -2.512 -4.595 -2.177 1.00 0.00 H new ATOM 0 HZ PHE A 26 -4.737 -5.068 -1.231 1.00 0.00 H new ATOM 364 N SER A 27 -4.488 -3.276 -9.589 1.00 0.00 N ATOM 365 CA SER A 27 -4.835 -2.576 -10.821 1.00 0.00 C ATOM 366 C SER A 27 -6.064 -3.201 -11.473 1.00 0.00 C ATOM 367 O SER A 27 -6.759 -2.555 -12.258 1.00 0.00 O ATOM 368 CB SER A 27 -3.657 -2.604 -11.797 1.00 0.00 C ATOM 369 OG SER A 27 -3.300 -3.934 -12.128 1.00 0.00 O ATOM 0 H SER A 27 -3.693 -3.910 -9.673 1.00 0.00 H new ATOM 0 HA SER A 27 -5.065 -1.541 -10.569 1.00 0.00 H new ATOM 0 HB2 SER A 27 -3.919 -2.058 -12.703 1.00 0.00 H new ATOM 0 HB3 SER A 27 -2.802 -2.094 -11.354 1.00 0.00 H new ATOM 0 HG SER A 27 -2.546 -3.924 -12.754 1.00 0.00 H new ATOM 375 N GLN A 28 -6.328 -4.461 -11.140 1.00 0.00 N ATOM 376 CA GLN A 28 -7.473 -5.173 -11.693 1.00 0.00 C ATOM 377 C GLN A 28 -8.778 -4.650 -11.101 1.00 0.00 C ATOM 378 O GLN A 28 -9.820 -4.667 -11.757 1.00 0.00 O ATOM 379 CB GLN A 28 -7.344 -6.673 -11.427 1.00 0.00 C ATOM 380 CG GLN A 28 -7.740 -7.078 -10.017 1.00 0.00 C ATOM 381 CD GLN A 28 -7.389 -8.518 -9.701 1.00 0.00 C ATOM 382 OE1 GLN A 28 -7.656 -9.422 -10.494 1.00 0.00 O ATOM 383 NE2 GLN A 28 -6.786 -8.741 -8.539 1.00 0.00 N ATOM 0 H GLN A 28 -5.764 -5.009 -10.490 1.00 0.00 H new ATOM 0 HA GLN A 28 -7.490 -5.002 -12.769 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -7.966 -7.215 -12.140 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -6.313 -6.978 -11.608 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -7.243 -6.422 -9.302 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -8.813 -6.934 -9.890 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -6.584 -7.963 -7.912 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -6.525 -9.691 -8.274 1.00 0.00 H new ATOM 392 N TYR A 29 -8.713 -4.186 -9.858 1.00 0.00 N ATOM 393 CA TYR A 29 -9.889 -3.660 -9.177 1.00 0.00 C ATOM 394 C TYR A 29 -10.202 -2.242 -9.642 1.00 0.00 C ATOM 395 O TYR A 29 -11.326 -1.940 -10.042 1.00 0.00 O ATOM 396 CB TYR A 29 -9.677 -3.676 -7.661 1.00 0.00 C ATOM 397 CG TYR A 29 -9.700 -5.063 -7.061 1.00 0.00 C ATOM 398 CD1 TYR A 29 -10.891 -5.635 -6.632 1.00 0.00 C ATOM 399 CD2 TYR A 29 -8.531 -5.802 -6.921 1.00 0.00 C ATOM 400 CE1 TYR A 29 -10.918 -6.903 -6.082 1.00 0.00 C ATOM 401 CE2 TYR A 29 -8.549 -7.070 -6.374 1.00 0.00 C ATOM 402 CZ TYR A 29 -9.744 -7.615 -5.956 1.00 0.00 C ATOM 403 OH TYR A 29 -9.765 -8.878 -5.409 1.00 0.00 O ATOM 0 H TYR A 29 -7.858 -4.164 -9.302 1.00 0.00 H new ATOM 0 HA TYR A 29 -10.736 -4.299 -9.426 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -8.721 -3.206 -7.431 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -10.451 -3.072 -7.188 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -11.812 -5.079 -6.730 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -7.593 -5.377 -7.246 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -11.853 -7.333 -5.753 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -7.632 -7.631 -6.274 1.00 0.00 H new ATOM 0 HH TYR A 29 -8.856 -9.243 -5.393 1.00 0.00 H new ATOM 413 N GLY A 30 -9.196 -1.373 -9.589 1.00 0.00 N ATOM 414 CA GLY A 30 -9.381 0.003 -10.009 1.00 0.00 C ATOM 415 C GLY A 30 -8.173 0.554 -10.741 1.00 0.00 C ATOM 416 O GLY A 30 -7.688 -0.051 -11.697 1.00 0.00 O ATOM 0 H GLY A 30 -8.256 -1.598 -9.262 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -10.255 0.067 -10.657 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -9.586 0.622 -9.135 1.00 0.00 H new ATOM 420 N ASP A 31 -7.686 1.705 -10.290 1.00 0.00 N ATOM 421 CA ASP A 31 -6.526 2.339 -10.909 1.00 0.00 C ATOM 422 C ASP A 31 -5.545 2.828 -9.849 1.00 0.00 C ATOM 423 O ASP A 31 -5.558 3.999 -9.468 1.00 0.00 O ATOM 424 CB ASP A 31 -6.967 3.507 -11.792 1.00 0.00 C ATOM 425 CG ASP A 31 -6.409 3.412 -13.198 1.00 0.00 C ATOM 426 OD1 ASP A 31 -5.185 3.593 -13.365 1.00 0.00 O ATOM 427 OD2 ASP A 31 -7.198 3.157 -14.133 1.00 0.00 O ATOM 0 H ASP A 31 -8.075 2.218 -9.499 1.00 0.00 H new ATOM 0 HA ASP A 31 -6.023 1.596 -11.528 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -8.056 3.534 -11.837 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -6.644 4.444 -11.338 1.00 0.00 H new ATOM 432 N VAL A 32 -4.694 1.924 -9.374 1.00 0.00 N ATOM 433 CA VAL A 32 -3.706 2.263 -8.358 1.00 0.00 C ATOM 434 C VAL A 32 -2.703 3.284 -8.885 1.00 0.00 C ATOM 435 O VAL A 32 -1.729 2.927 -9.548 1.00 0.00 O ATOM 436 CB VAL A 32 -2.945 1.014 -7.876 1.00 0.00 C ATOM 437 CG1 VAL A 32 -2.613 0.106 -9.049 1.00 0.00 C ATOM 438 CG2 VAL A 32 -1.682 1.416 -7.128 1.00 0.00 C ATOM 0 H VAL A 32 -4.669 0.950 -9.677 1.00 0.00 H new ATOM 0 HA VAL A 32 -4.251 2.694 -7.518 1.00 0.00 H new ATOM 0 HB VAL A 32 -3.586 0.461 -7.190 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -2.075 -0.771 -8.689 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -3.535 -0.209 -9.538 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -1.990 0.646 -9.762 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -1.156 0.521 -6.794 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -1.035 1.992 -7.790 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -1.949 2.024 -6.263 1.00 0.00 H new ATOM 448 N MET A 33 -2.950 4.555 -8.585 1.00 0.00 N ATOM 449 CA MET A 33 -2.066 5.628 -9.029 1.00 0.00 C ATOM 450 C MET A 33 -0.604 5.243 -8.836 1.00 0.00 C ATOM 451 O MET A 33 0.192 5.300 -9.773 1.00 0.00 O ATOM 452 CB MET A 33 -2.372 6.918 -8.262 1.00 0.00 C ATOM 453 CG MET A 33 -3.497 7.736 -8.875 1.00 0.00 C ATOM 454 SD MET A 33 -3.751 9.309 -8.030 1.00 0.00 S ATOM 455 CE MET A 33 -3.941 10.415 -9.425 1.00 0.00 C ATOM 0 H MET A 33 -3.752 4.867 -8.038 1.00 0.00 H new ATOM 0 HA MET A 33 -2.241 5.794 -10.092 1.00 0.00 H new ATOM 0 HB2 MET A 33 -2.635 6.667 -7.234 1.00 0.00 H new ATOM 0 HB3 MET A 33 -1.470 7.529 -8.220 1.00 0.00 H new ATOM 0 HG2 MET A 33 -3.274 7.924 -9.925 1.00 0.00 H new ATOM 0 HG3 MET A 33 -4.420 7.158 -8.844 1.00 0.00 H new ATOM 0 HE1 MET A 33 -4.106 11.430 -9.064 1.00 0.00 H new ATOM 0 HE2 MET A 33 -3.038 10.389 -10.036 1.00 0.00 H new ATOM 0 HE3 MET A 33 -4.794 10.100 -10.025 1.00 0.00 H new ATOM 465 N ASP A 34 -0.255 4.852 -7.615 1.00 0.00 N ATOM 466 CA ASP A 34 1.113 4.457 -7.300 1.00 0.00 C ATOM 467 C ASP A 34 1.163 3.663 -5.998 1.00 0.00 C ATOM 468 O ASP A 34 0.158 3.534 -5.298 1.00 0.00 O ATOM 469 CB ASP A 34 2.012 5.689 -7.195 1.00 0.00 C ATOM 470 CG ASP A 34 3.237 5.589 -8.081 1.00 0.00 C ATOM 471 OD1 ASP A 34 3.863 4.509 -8.108 1.00 0.00 O ATOM 472 OD2 ASP A 34 3.571 6.592 -8.747 1.00 0.00 O ATOM 0 H ASP A 34 -0.901 4.800 -6.827 1.00 0.00 H new ATOM 0 HA ASP A 34 1.476 3.821 -8.107 1.00 0.00 H new ATOM 0 HB2 ASP A 34 1.441 6.576 -7.469 1.00 0.00 H new ATOM 0 HB3 ASP A 34 2.326 5.819 -6.159 1.00 0.00 H new ATOM 477 N VAL A 35 2.339 3.132 -5.679 1.00 0.00 N ATOM 478 CA VAL A 35 2.521 2.352 -4.461 1.00 0.00 C ATOM 479 C VAL A 35 3.868 2.649 -3.813 1.00 0.00 C ATOM 480 O VAL A 35 4.919 2.448 -4.420 1.00 0.00 O ATOM 481 CB VAL A 35 2.423 0.840 -4.743 1.00 0.00 C ATOM 482 CG1 VAL A 35 2.968 0.041 -3.570 1.00 0.00 C ATOM 483 CG2 VAL A 35 0.983 0.447 -5.043 1.00 0.00 C ATOM 0 H VAL A 35 3.180 3.228 -6.248 1.00 0.00 H new ATOM 0 HA VAL A 35 1.721 2.641 -3.779 1.00 0.00 H new ATOM 0 HB VAL A 35 3.029 0.612 -5.620 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.890 -1.024 -3.788 1.00 0.00 H new ATOM 0 HG12 VAL A 35 4.013 0.303 -3.406 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.392 0.271 -2.674 1.00 0.00 H new ATOM 0 HG21 VAL A 35 0.932 -0.624 -5.240 1.00 0.00 H new ATOM 0 HG22 VAL A 35 0.354 0.689 -4.187 1.00 0.00 H new ATOM 0 HG23 VAL A 35 0.631 0.994 -5.918 1.00 0.00 H new ATOM 493 N PHE A 36 3.829 3.129 -2.574 1.00 0.00 N ATOM 494 CA PHE A 36 5.048 3.456 -1.842 1.00 0.00 C ATOM 495 C PHE A 36 5.180 2.591 -0.592 1.00 0.00 C ATOM 496 O PHE A 36 4.182 2.131 -0.036 1.00 0.00 O ATOM 497 CB PHE A 36 5.053 4.936 -1.455 1.00 0.00 C ATOM 498 CG PHE A 36 6.039 5.269 -0.371 1.00 0.00 C ATOM 499 CD1 PHE A 36 7.400 5.268 -0.630 1.00 0.00 C ATOM 500 CD2 PHE A 36 5.604 5.581 0.907 1.00 0.00 C ATOM 501 CE1 PHE A 36 8.309 5.572 0.366 1.00 0.00 C ATOM 502 CE2 PHE A 36 6.508 5.887 1.906 1.00 0.00 C ATOM 503 CZ PHE A 36 7.863 5.883 1.635 1.00 0.00 C ATOM 0 H PHE A 36 2.967 3.300 -2.056 1.00 0.00 H new ATOM 0 HA PHE A 36 5.899 3.255 -2.493 1.00 0.00 H new ATOM 0 HB2 PHE A 36 5.280 5.533 -2.338 1.00 0.00 H new ATOM 0 HB3 PHE A 36 4.054 5.221 -1.126 1.00 0.00 H new ATOM 0 HD1 PHE A 36 7.755 5.027 -1.621 1.00 0.00 H new ATOM 0 HD2 PHE A 36 4.546 5.585 1.125 1.00 0.00 H new ATOM 0 HE1 PHE A 36 9.367 5.566 0.152 1.00 0.00 H new ATOM 0 HE2 PHE A 36 6.156 6.129 2.898 1.00 0.00 H new ATOM 0 HZ PHE A 36 8.571 6.123 2.414 1.00 0.00 H new ATOM 513 N ILE A 37 6.416 2.375 -0.157 1.00 0.00 N ATOM 514 CA ILE A 37 6.678 1.566 1.027 1.00 0.00 C ATOM 515 C ILE A 37 7.286 2.408 2.143 1.00 0.00 C ATOM 516 O ILE A 37 8.493 2.643 2.192 1.00 0.00 O ATOM 517 CB ILE A 37 7.626 0.395 0.709 1.00 0.00 C ATOM 518 CG1 ILE A 37 7.031 -0.488 -0.390 1.00 0.00 C ATOM 519 CG2 ILE A 37 7.896 -0.423 1.964 1.00 0.00 C ATOM 520 CD1 ILE A 37 7.736 -1.818 -0.546 1.00 0.00 C ATOM 0 H ILE A 37 7.252 2.749 -0.606 1.00 0.00 H new ATOM 0 HA ILE A 37 5.719 1.167 1.357 1.00 0.00 H new ATOM 0 HB ILE A 37 8.573 0.800 0.351 1.00 0.00 H new ATOM 0 HG12 ILE A 37 5.979 -0.668 -0.170 1.00 0.00 H new ATOM 0 HG13 ILE A 37 7.072 0.049 -1.338 1.00 0.00 H new ATOM 0 HG21 ILE A 37 8.568 -1.247 1.724 1.00 0.00 H new ATOM 0 HG22 ILE A 37 8.357 0.212 2.720 1.00 0.00 H new ATOM 0 HG23 ILE A 37 6.957 -0.821 2.348 1.00 0.00 H new ATOM 0 HD11 ILE A 37 7.261 -2.391 -1.342 1.00 0.00 H new ATOM 0 HD12 ILE A 37 8.783 -1.648 -0.797 1.00 0.00 H new ATOM 0 HD13 ILE A 37 7.673 -2.375 0.389 1.00 0.00 H new ATOM 532 N PRO A 38 6.430 2.873 3.066 1.00 0.00 N ATOM 533 CA PRO A 38 6.858 3.693 4.203 1.00 0.00 C ATOM 534 C PRO A 38 7.675 2.899 5.217 1.00 0.00 C ATOM 535 O PRO A 38 7.160 1.987 5.864 1.00 0.00 O ATOM 536 CB PRO A 38 5.540 4.157 4.823 1.00 0.00 C ATOM 537 CG PRO A 38 4.548 3.118 4.428 1.00 0.00 C ATOM 538 CD PRO A 38 4.977 2.631 3.072 1.00 0.00 C ATOM 0 HA PRO A 38 7.509 4.510 3.893 1.00 0.00 H new ATOM 0 HB2 PRO A 38 5.619 4.237 5.907 1.00 0.00 H new ATOM 0 HB3 PRO A 38 5.252 5.140 4.451 1.00 0.00 H new ATOM 0 HG2 PRO A 38 4.531 2.301 5.149 1.00 0.00 H new ATOM 0 HG3 PRO A 38 3.541 3.533 4.393 1.00 0.00 H new ATOM 0 HD2 PRO A 38 4.745 1.575 2.932 1.00 0.00 H new ATOM 0 HD3 PRO A 38 4.476 3.176 2.272 1.00 0.00 H new ATOM 546 N LYS A 39 8.949 3.250 5.350 1.00 0.00 N ATOM 547 CA LYS A 39 9.836 2.571 6.287 1.00 0.00 C ATOM 548 C LYS A 39 9.747 3.200 7.674 1.00 0.00 C ATOM 549 O LYS A 39 9.406 4.373 7.830 1.00 0.00 O ATOM 550 CB LYS A 39 11.280 2.624 5.783 1.00 0.00 C ATOM 551 CG LYS A 39 11.537 1.738 4.577 1.00 0.00 C ATOM 552 CD LYS A 39 12.693 0.783 4.823 1.00 0.00 C ATOM 553 CE LYS A 39 12.725 -0.332 3.788 1.00 0.00 C ATOM 554 NZ LYS A 39 11.599 -1.290 3.970 1.00 0.00 N ATOM 0 H LYS A 39 9.391 4.001 4.820 1.00 0.00 H new ATOM 0 HA LYS A 39 9.520 1.530 6.359 1.00 0.00 H new ATOM 0 HB2 LYS A 39 11.529 3.654 5.526 1.00 0.00 H new ATOM 0 HB3 LYS A 39 11.949 2.327 6.591 1.00 0.00 H new ATOM 0 HG2 LYS A 39 10.637 1.169 4.344 1.00 0.00 H new ATOM 0 HG3 LYS A 39 11.755 2.359 3.708 1.00 0.00 H new ATOM 0 HD2 LYS A 39 13.633 1.334 4.795 1.00 0.00 H new ATOM 0 HD3 LYS A 39 12.605 0.353 5.821 1.00 0.00 H new ATOM 0 HE2 LYS A 39 12.677 0.099 2.788 1.00 0.00 H new ATOM 0 HE3 LYS A 39 13.672 -0.867 3.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 11.971 -2.204 4.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 10.934 -0.914 4.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 11.105 -1.421 3.064 1.00 0.00 H new ATOM 568 N PRO A 40 10.060 2.403 8.707 1.00 0.00 N ATOM 569 CA PRO A 40 10.467 1.006 8.534 1.00 0.00 C ATOM 570 C PRO A 40 9.314 0.120 8.074 1.00 0.00 C ATOM 571 O PRO A 40 8.218 0.171 8.632 1.00 0.00 O ATOM 572 CB PRO A 40 10.931 0.596 9.934 1.00 0.00 C ATOM 573 CG PRO A 40 10.196 1.503 10.858 1.00 0.00 C ATOM 574 CD PRO A 40 10.043 2.806 10.123 1.00 0.00 C ATOM 0 HA PRO A 40 11.234 0.896 7.767 1.00 0.00 H new ATOM 0 HB2 PRO A 40 10.699 -0.449 10.138 1.00 0.00 H new ATOM 0 HB3 PRO A 40 12.010 0.710 10.043 1.00 0.00 H new ATOM 0 HG2 PRO A 40 9.224 1.087 11.122 1.00 0.00 H new ATOM 0 HG3 PRO A 40 10.746 1.642 11.789 1.00 0.00 H new ATOM 0 HD2 PRO A 40 9.113 3.309 10.386 1.00 0.00 H new ATOM 0 HD3 PRO A 40 10.855 3.496 10.354 1.00 0.00 H new ATOM 582 N PHE A 41 9.568 -0.693 7.054 1.00 0.00 N ATOM 583 CA PHE A 41 8.552 -1.590 6.519 1.00 0.00 C ATOM 584 C PHE A 41 8.198 -2.677 7.531 1.00 0.00 C ATOM 585 O PHE A 41 8.981 -3.597 7.769 1.00 0.00 O ATOM 586 CB PHE A 41 9.039 -2.230 5.217 1.00 0.00 C ATOM 587 CG PHE A 41 8.274 -3.465 4.833 1.00 0.00 C ATOM 588 CD1 PHE A 41 7.132 -3.374 4.055 1.00 0.00 C ATOM 589 CD2 PHE A 41 8.699 -4.716 5.250 1.00 0.00 C ATOM 590 CE1 PHE A 41 6.426 -4.508 3.701 1.00 0.00 C ATOM 591 CE2 PHE A 41 7.998 -5.854 4.898 1.00 0.00 C ATOM 592 CZ PHE A 41 6.860 -5.750 4.122 1.00 0.00 C ATOM 0 H PHE A 41 10.470 -0.749 6.581 1.00 0.00 H new ATOM 0 HA PHE A 41 7.657 -1.002 6.314 1.00 0.00 H new ATOM 0 HB2 PHE A 41 8.962 -1.500 4.412 1.00 0.00 H new ATOM 0 HB3 PHE A 41 10.094 -2.483 5.318 1.00 0.00 H new ATOM 0 HD1 PHE A 41 6.789 -2.406 3.721 1.00 0.00 H new ATOM 0 HD2 PHE A 41 9.588 -4.803 5.857 1.00 0.00 H new ATOM 0 HE1 PHE A 41 5.536 -4.423 3.096 1.00 0.00 H new ATOM 0 HE2 PHE A 41 8.340 -6.823 5.229 1.00 0.00 H new ATOM 0 HZ PHE A 41 6.311 -6.638 3.845 1.00 0.00 H new ATOM 602 N ARG A 42 7.014 -2.562 8.125 1.00 0.00 N ATOM 603 CA ARG A 42 6.557 -3.531 9.112 1.00 0.00 C ATOM 604 C ARG A 42 5.394 -4.357 8.566 1.00 0.00 C ATOM 605 O ARG A 42 4.229 -4.030 8.791 1.00 0.00 O ATOM 606 CB ARG A 42 6.132 -2.820 10.397 1.00 0.00 C ATOM 607 CG ARG A 42 7.277 -2.580 11.368 1.00 0.00 C ATOM 608 CD ARG A 42 6.795 -1.913 12.646 1.00 0.00 C ATOM 609 NE ARG A 42 5.861 -2.758 13.385 1.00 0.00 N ATOM 610 CZ ARG A 42 5.142 -2.331 14.418 1.00 0.00 C ATOM 611 NH1 ARG A 42 5.251 -1.076 14.831 1.00 0.00 N ATOM 612 NH2 ARG A 42 4.314 -3.160 15.040 1.00 0.00 N ATOM 0 H ARG A 42 6.354 -1.807 7.939 1.00 0.00 H new ATOM 0 HA ARG A 42 7.385 -4.204 9.334 1.00 0.00 H new ATOM 0 HB2 ARG A 42 5.679 -1.863 10.140 1.00 0.00 H new ATOM 0 HB3 ARG A 42 5.364 -3.413 10.893 1.00 0.00 H new ATOM 0 HG2 ARG A 42 7.755 -3.529 11.610 1.00 0.00 H new ATOM 0 HG3 ARG A 42 8.033 -1.955 10.893 1.00 0.00 H new ATOM 0 HD2 ARG A 42 7.651 -1.680 13.279 1.00 0.00 H new ATOM 0 HD3 ARG A 42 6.312 -0.967 12.401 1.00 0.00 H new ATOM 0 HE ARG A 42 5.755 -3.729 13.092 1.00 0.00 H new ATOM 0 HH11 ARG A 42 5.888 -0.436 14.356 1.00 0.00 H new ATOM 0 HH12 ARG A 42 4.698 -0.750 15.624 1.00 0.00 H new ATOM 0 HH21 ARG A 42 4.229 -4.127 14.726 1.00 0.00 H new ATOM 0 HH22 ARG A 42 3.763 -2.831 15.833 1.00 0.00 H new ATOM 626 N ALA A 43 5.721 -5.426 7.847 1.00 0.00 N ATOM 627 CA ALA A 43 4.704 -6.298 7.271 1.00 0.00 C ATOM 628 C ALA A 43 3.503 -5.494 6.786 1.00 0.00 C ATOM 629 O ALA A 43 2.362 -5.948 6.876 1.00 0.00 O ATOM 630 CB ALA A 43 4.267 -7.343 8.288 1.00 0.00 C ATOM 0 H ALA A 43 6.681 -5.709 7.650 1.00 0.00 H new ATOM 0 HA ALA A 43 5.140 -6.805 6.410 1.00 0.00 H new ATOM 0 HB1 ALA A 43 3.508 -7.987 7.845 1.00 0.00 H new ATOM 0 HB2 ALA A 43 5.126 -7.945 8.583 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.854 -6.846 9.166 1.00 0.00 H new ATOM 636 N PHE A 44 3.767 -4.299 6.269 1.00 0.00 N ATOM 637 CA PHE A 44 2.706 -3.431 5.771 1.00 0.00 C ATOM 638 C PHE A 44 3.269 -2.372 4.827 1.00 0.00 C ATOM 639 O PHE A 44 4.357 -1.843 5.050 1.00 0.00 O ATOM 640 CB PHE A 44 1.978 -2.758 6.935 1.00 0.00 C ATOM 641 CG PHE A 44 2.554 -1.422 7.311 1.00 0.00 C ATOM 642 CD1 PHE A 44 3.901 -1.293 7.609 1.00 0.00 C ATOM 643 CD2 PHE A 44 1.748 -0.296 7.365 1.00 0.00 C ATOM 644 CE1 PHE A 44 4.433 -0.065 7.955 1.00 0.00 C ATOM 645 CE2 PHE A 44 2.275 0.934 7.710 1.00 0.00 C ATOM 646 CZ PHE A 44 3.620 1.049 8.005 1.00 0.00 C ATOM 0 H PHE A 44 4.706 -3.909 6.184 1.00 0.00 H new ATOM 0 HA PHE A 44 1.997 -4.047 5.218 1.00 0.00 H new ATOM 0 HB2 PHE A 44 0.928 -2.631 6.671 1.00 0.00 H new ATOM 0 HB3 PHE A 44 2.011 -3.416 7.803 1.00 0.00 H new ATOM 0 HD1 PHE A 44 4.542 -2.161 7.571 1.00 0.00 H new ATOM 0 HD2 PHE A 44 0.696 -0.381 7.135 1.00 0.00 H new ATOM 0 HE1 PHE A 44 5.484 0.023 8.186 1.00 0.00 H new ATOM 0 HE2 PHE A 44 1.637 1.804 7.749 1.00 0.00 H new ATOM 0 HZ PHE A 44 4.034 2.009 8.274 1.00 0.00 H new ATOM 656 N ALA A 45 2.519 -2.068 3.774 1.00 0.00 N ATOM 657 CA ALA A 45 2.941 -1.071 2.797 1.00 0.00 C ATOM 658 C ALA A 45 1.833 -0.057 2.533 1.00 0.00 C ATOM 659 O ALA A 45 0.672 -0.289 2.870 1.00 0.00 O ATOM 660 CB ALA A 45 3.360 -1.747 1.500 1.00 0.00 C ATOM 0 H ALA A 45 1.616 -2.498 3.575 1.00 0.00 H new ATOM 0 HA ALA A 45 3.797 -0.536 3.208 1.00 0.00 H new ATOM 0 HB1 ALA A 45 3.672 -0.991 0.780 1.00 0.00 H new ATOM 0 HB2 ALA A 45 4.189 -2.427 1.695 1.00 0.00 H new ATOM 0 HB3 ALA A 45 2.519 -2.309 1.094 1.00 0.00 H new ATOM 666 N PHE A 46 2.199 1.068 1.927 1.00 0.00 N ATOM 667 CA PHE A 46 1.235 2.118 1.620 1.00 0.00 C ATOM 668 C PHE A 46 0.889 2.120 0.133 1.00 0.00 C ATOM 669 O PHE A 46 1.767 1.995 -0.721 1.00 0.00 O ATOM 670 CB PHE A 46 1.790 3.484 2.027 1.00 0.00 C ATOM 671 CG PHE A 46 0.828 4.615 1.798 1.00 0.00 C ATOM 672 CD1 PHE A 46 -0.201 4.859 2.694 1.00 0.00 C ATOM 673 CD2 PHE A 46 0.952 5.433 0.688 1.00 0.00 C ATOM 674 CE1 PHE A 46 -1.087 5.898 2.487 1.00 0.00 C ATOM 675 CE2 PHE A 46 0.069 6.475 0.475 1.00 0.00 C ATOM 676 CZ PHE A 46 -0.953 6.707 1.376 1.00 0.00 C ATOM 0 H PHE A 46 3.155 1.276 1.639 1.00 0.00 H new ATOM 0 HA PHE A 46 0.326 1.919 2.187 1.00 0.00 H new ATOM 0 HB2 PHE A 46 2.062 3.457 3.082 1.00 0.00 H new ATOM 0 HB3 PHE A 46 2.705 3.677 1.467 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -0.311 4.229 3.564 1.00 0.00 H new ATOM 0 HD2 PHE A 46 1.748 5.255 -0.020 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -1.884 6.078 3.193 1.00 0.00 H new ATOM 0 HE2 PHE A 46 0.178 7.107 -0.394 1.00 0.00 H new ATOM 0 HZ PHE A 46 -1.645 7.519 1.211 1.00 0.00 H new ATOM 686 N VAL A 47 -0.398 2.262 -0.168 1.00 0.00 N ATOM 687 CA VAL A 47 -0.862 2.281 -1.551 1.00 0.00 C ATOM 688 C VAL A 47 -1.804 3.454 -1.798 1.00 0.00 C ATOM 689 O VAL A 47 -2.530 3.883 -0.901 1.00 0.00 O ATOM 690 CB VAL A 47 -1.583 0.971 -1.918 1.00 0.00 C ATOM 691 CG1 VAL A 47 -1.955 0.962 -3.393 1.00 0.00 C ATOM 692 CG2 VAL A 47 -0.716 -0.230 -1.571 1.00 0.00 C ATOM 0 H VAL A 47 -1.138 2.366 0.527 1.00 0.00 H new ATOM 0 HA VAL A 47 0.021 2.390 -2.181 1.00 0.00 H new ATOM 0 HB VAL A 47 -2.502 0.907 -1.335 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -2.464 0.029 -3.634 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -2.617 1.802 -3.607 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.052 1.049 -3.997 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -1.241 -1.147 -1.837 1.00 0.00 H new ATOM 0 HG22 VAL A 47 0.221 -0.175 -2.125 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -0.505 -0.230 -0.502 1.00 0.00 H new ATOM 702 N THR A 48 -1.788 3.970 -3.023 1.00 0.00 N ATOM 703 CA THR A 48 -2.640 5.095 -3.390 1.00 0.00 C ATOM 704 C THR A 48 -3.511 4.754 -4.594 1.00 0.00 C ATOM 705 O THR A 48 -3.033 4.190 -5.578 1.00 0.00 O ATOM 706 CB THR A 48 -1.807 6.349 -3.711 1.00 0.00 C ATOM 707 OG1 THR A 48 -0.920 6.640 -2.625 1.00 0.00 O ATOM 708 CG2 THR A 48 -2.709 7.547 -3.971 1.00 0.00 C ATOM 0 H THR A 48 -1.194 3.627 -3.778 1.00 0.00 H new ATOM 0 HA THR A 48 -3.278 5.303 -2.531 1.00 0.00 H new ATOM 0 HB THR A 48 -1.225 6.150 -4.611 1.00 0.00 H new ATOM 0 HG1 THR A 48 -1.270 6.242 -1.801 1.00 0.00 H new ATOM 0 HG21 THR A 48 -2.097 8.421 -4.196 1.00 0.00 H new ATOM 0 HG22 THR A 48 -3.362 7.334 -4.817 1.00 0.00 H new ATOM 0 HG23 THR A 48 -3.314 7.745 -3.087 1.00 0.00 H new ATOM 716 N PHE A 49 -4.791 5.102 -4.510 1.00 0.00 N ATOM 717 CA PHE A 49 -5.729 4.832 -5.593 1.00 0.00 C ATOM 718 C PHE A 49 -6.159 6.128 -6.274 1.00 0.00 C ATOM 719 O PHE A 49 -6.223 7.183 -5.643 1.00 0.00 O ATOM 720 CB PHE A 49 -6.957 4.092 -5.060 1.00 0.00 C ATOM 721 CG PHE A 49 -6.780 2.602 -5.003 1.00 0.00 C ATOM 722 CD1 PHE A 49 -6.804 1.843 -6.163 1.00 0.00 C ATOM 723 CD2 PHE A 49 -6.589 1.958 -3.791 1.00 0.00 C ATOM 724 CE1 PHE A 49 -6.641 0.471 -6.114 1.00 0.00 C ATOM 725 CE2 PHE A 49 -6.425 0.588 -3.736 1.00 0.00 C ATOM 726 CZ PHE A 49 -6.452 -0.158 -4.899 1.00 0.00 C ATOM 0 H PHE A 49 -5.202 5.571 -3.703 1.00 0.00 H new ATOM 0 HA PHE A 49 -5.226 4.204 -6.328 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -7.188 4.461 -4.061 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -7.814 4.324 -5.692 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -6.952 2.329 -7.116 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -6.568 2.535 -2.878 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -6.661 -0.109 -7.025 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -6.276 0.100 -2.784 1.00 0.00 H new ATOM 0 HZ PHE A 49 -6.326 -1.230 -4.858 1.00 0.00 H new ATOM 736 N ALA A 50 -6.453 6.041 -7.567 1.00 0.00 N ATOM 737 CA ALA A 50 -6.878 7.205 -8.335 1.00 0.00 C ATOM 738 C ALA A 50 -8.257 7.682 -7.890 1.00 0.00 C ATOM 739 O ALA A 50 -8.740 8.721 -8.341 1.00 0.00 O ATOM 740 CB ALA A 50 -6.883 6.884 -9.822 1.00 0.00 C ATOM 0 H ALA A 50 -6.405 5.176 -8.105 1.00 0.00 H new ATOM 0 HA ALA A 50 -6.167 8.010 -8.151 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -7.202 7.762 -10.383 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -5.879 6.598 -10.136 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -7.571 6.061 -10.014 1.00 0.00 H new ATOM 746 N ASP A 51 -8.885 6.916 -7.005 1.00 0.00 N ATOM 747 CA ASP A 51 -10.209 7.261 -6.500 1.00 0.00 C ATOM 748 C ASP A 51 -10.376 6.798 -5.055 1.00 0.00 C ATOM 749 O ASP A 51 -10.069 5.654 -4.721 1.00 0.00 O ATOM 750 CB ASP A 51 -11.293 6.635 -7.378 1.00 0.00 C ATOM 751 CG ASP A 51 -12.208 7.673 -7.997 1.00 0.00 C ATOM 752 OD1 ASP A 51 -13.189 8.071 -7.334 1.00 0.00 O ATOM 753 OD2 ASP A 51 -11.943 8.089 -9.144 1.00 0.00 O ATOM 0 H ASP A 51 -8.499 6.053 -6.623 1.00 0.00 H new ATOM 0 HA ASP A 51 -10.311 8.346 -6.530 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -10.823 6.051 -8.169 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -11.886 5.943 -6.780 1.00 0.00 H new ATOM 758 N ASP A 52 -10.864 7.694 -4.205 1.00 0.00 N ATOM 759 CA ASP A 52 -11.074 7.378 -2.797 1.00 0.00 C ATOM 760 C ASP A 52 -12.125 6.286 -2.636 1.00 0.00 C ATOM 761 O ASP A 52 -12.092 5.515 -1.676 1.00 0.00 O ATOM 762 CB ASP A 52 -11.498 8.630 -2.028 1.00 0.00 C ATOM 763 CG ASP A 52 -13.002 8.721 -1.855 1.00 0.00 C ATOM 764 OD1 ASP A 52 -13.693 9.069 -2.835 1.00 0.00 O ATOM 765 OD2 ASP A 52 -13.487 8.441 -0.739 1.00 0.00 O ATOM 0 H ASP A 52 -11.122 8.646 -4.466 1.00 0.00 H new ATOM 0 HA ASP A 52 -10.132 7.013 -2.388 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -11.022 8.630 -1.048 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -11.141 9.515 -2.555 1.00 0.00 H new ATOM 770 N GLN A 53 -13.058 6.224 -3.580 1.00 0.00 N ATOM 771 CA GLN A 53 -14.120 5.227 -3.541 1.00 0.00 C ATOM 772 C GLN A 53 -13.549 3.818 -3.654 1.00 0.00 C ATOM 773 O GLN A 53 -14.131 2.859 -3.146 1.00 0.00 O ATOM 774 CB GLN A 53 -15.124 5.475 -4.669 1.00 0.00 C ATOM 775 CG GLN A 53 -14.514 5.381 -6.058 1.00 0.00 C ATOM 776 CD GLN A 53 -15.559 5.374 -7.155 1.00 0.00 C ATOM 777 OE1 GLN A 53 -16.063 6.425 -7.555 1.00 0.00 O ATOM 778 NE2 GLN A 53 -15.892 4.187 -7.649 1.00 0.00 N ATOM 0 H GLN A 53 -13.100 6.853 -4.382 1.00 0.00 H new ATOM 0 HA GLN A 53 -14.632 5.316 -2.583 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -15.935 4.751 -4.588 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -15.565 6.464 -4.541 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -13.838 6.222 -6.211 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -13.915 4.473 -6.127 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -15.449 3.342 -7.288 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -16.590 4.120 -8.389 1.00 0.00 H new ATOM 787 N ILE A 54 -12.407 3.700 -4.324 1.00 0.00 N ATOM 788 CA ILE A 54 -11.758 2.408 -4.504 1.00 0.00 C ATOM 789 C ILE A 54 -10.981 2.005 -3.255 1.00 0.00 C ATOM 790 O ILE A 54 -10.943 0.831 -2.887 1.00 0.00 O ATOM 791 CB ILE A 54 -10.798 2.422 -5.709 1.00 0.00 C ATOM 792 CG1 ILE A 54 -11.495 3.014 -6.936 1.00 0.00 C ATOM 793 CG2 ILE A 54 -10.299 1.016 -6.004 1.00 0.00 C ATOM 794 CD1 ILE A 54 -12.569 2.119 -7.512 1.00 0.00 C ATOM 0 H ILE A 54 -11.913 4.484 -4.751 1.00 0.00 H new ATOM 0 HA ILE A 54 -12.549 1.681 -4.689 1.00 0.00 H new ATOM 0 HB ILE A 54 -9.939 3.047 -5.465 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -11.939 3.972 -6.665 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -10.750 3.215 -7.706 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -9.622 1.042 -6.858 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -9.771 0.627 -5.133 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -11.146 0.370 -6.233 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -13.020 2.603 -8.379 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -12.128 1.170 -7.815 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -13.335 1.939 -6.758 1.00 0.00 H new ATOM 806 N ALA A 55 -10.364 2.988 -2.606 1.00 0.00 N ATOM 807 CA ALA A 55 -9.591 2.736 -1.397 1.00 0.00 C ATOM 808 C ALA A 55 -10.505 2.424 -0.217 1.00 0.00 C ATOM 809 O ALA A 55 -10.132 1.675 0.687 1.00 0.00 O ATOM 810 CB ALA A 55 -8.706 3.932 -1.078 1.00 0.00 C ATOM 0 H ALA A 55 -10.385 3.965 -2.898 1.00 0.00 H new ATOM 0 HA ALA A 55 -8.959 1.866 -1.574 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -8.134 3.730 -0.172 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.021 4.110 -1.907 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -9.328 4.814 -0.925 1.00 0.00 H new ATOM 816 N GLN A 56 -11.703 3.001 -0.232 1.00 0.00 N ATOM 817 CA GLN A 56 -12.668 2.783 0.839 1.00 0.00 C ATOM 818 C GLN A 56 -13.506 1.537 0.571 1.00 0.00 C ATOM 819 O GLN A 56 -13.580 0.636 1.407 1.00 0.00 O ATOM 820 CB GLN A 56 -13.580 4.003 0.987 1.00 0.00 C ATOM 821 CG GLN A 56 -13.410 4.731 2.311 1.00 0.00 C ATOM 822 CD GLN A 56 -14.555 5.680 2.606 1.00 0.00 C ATOM 823 OE1 GLN A 56 -15.396 5.943 1.745 1.00 0.00 O ATOM 824 NE2 GLN A 56 -14.594 6.201 3.827 1.00 0.00 N ATOM 0 H GLN A 56 -12.028 3.622 -0.973 1.00 0.00 H new ATOM 0 HA GLN A 56 -12.116 2.635 1.767 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -13.379 4.698 0.171 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -14.618 3.685 0.887 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -13.332 4.000 3.116 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -12.474 5.290 2.297 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -13.877 5.956 4.509 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -15.341 6.846 4.082 1.00 0.00 H new ATOM 833 N SER A 57 -14.136 1.493 -0.598 1.00 0.00 N ATOM 834 CA SER A 57 -14.972 0.359 -0.974 1.00 0.00 C ATOM 835 C SER A 57 -14.237 -0.958 -0.744 1.00 0.00 C ATOM 836 O SER A 57 -14.858 -2.008 -0.577 1.00 0.00 O ATOM 837 CB SER A 57 -15.392 0.473 -2.441 1.00 0.00 C ATOM 838 OG SER A 57 -16.313 -0.548 -2.787 1.00 0.00 O ATOM 0 H SER A 57 -14.084 2.230 -1.302 1.00 0.00 H new ATOM 0 HA SER A 57 -15.863 0.372 -0.346 1.00 0.00 H new ATOM 0 HB2 SER A 57 -15.842 1.449 -2.619 1.00 0.00 H new ATOM 0 HB3 SER A 57 -14.512 0.406 -3.081 1.00 0.00 H new ATOM 0 HG SER A 57 -16.568 -0.453 -3.729 1.00 0.00 H new ATOM 844 N LEU A 58 -12.911 -0.893 -0.735 1.00 0.00 N ATOM 845 CA LEU A 58 -12.089 -2.080 -0.525 1.00 0.00 C ATOM 846 C LEU A 58 -11.867 -2.333 0.963 1.00 0.00 C ATOM 847 O LEU A 58 -11.802 -3.480 1.405 1.00 0.00 O ATOM 848 CB LEU A 58 -10.742 -1.923 -1.233 1.00 0.00 C ATOM 849 CG LEU A 58 -10.650 -2.517 -2.640 1.00 0.00 C ATOM 850 CD1 LEU A 58 -9.324 -2.150 -3.289 1.00 0.00 C ATOM 851 CD2 LEU A 58 -10.824 -4.028 -2.594 1.00 0.00 C ATOM 0 H LEU A 58 -12.382 -0.032 -0.871 1.00 0.00 H new ATOM 0 HA LEU A 58 -12.617 -2.936 -0.946 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -10.507 -0.860 -1.293 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -9.973 -2.385 -0.614 1.00 0.00 H new ATOM 0 HG LEU A 58 -11.455 -2.097 -3.244 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -9.277 -2.581 -4.289 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -9.240 -1.065 -3.357 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -8.504 -2.540 -2.686 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -10.756 -4.433 -3.604 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -10.042 -4.466 -1.974 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -11.799 -4.269 -2.172 1.00 0.00 H new ATOM 863 N CYS A 59 -11.754 -1.254 1.730 1.00 0.00 N ATOM 864 CA CYS A 59 -11.542 -1.359 3.170 1.00 0.00 C ATOM 865 C CYS A 59 -12.500 -2.371 3.788 1.00 0.00 C ATOM 866 O CYS A 59 -13.716 -2.262 3.640 1.00 0.00 O ATOM 867 CB CYS A 59 -11.724 0.007 3.834 1.00 0.00 C ATOM 868 SG CYS A 59 -11.631 -0.033 5.639 1.00 0.00 S ATOM 0 H CYS A 59 -11.806 -0.297 1.380 1.00 0.00 H new ATOM 0 HA CYS A 59 -10.522 -1.703 3.338 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -10.961 0.687 3.456 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -12.690 0.417 3.539 1.00 0.00 H new ATOM 0 HG CYS A 59 -11.794 1.168 6.109 1.00 0.00 H new ATOM 874 N GLY A 60 -11.943 -3.360 4.483 1.00 0.00 N ATOM 875 CA GLY A 60 -12.763 -4.378 5.112 1.00 0.00 C ATOM 876 C GLY A 60 -12.815 -5.660 4.306 1.00 0.00 C ATOM 877 O GLY A 60 -13.282 -6.689 4.793 1.00 0.00 O ATOM 0 H GLY A 60 -10.939 -3.473 4.621 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -12.371 -4.593 6.106 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -13.775 -3.995 5.245 1.00 0.00 H new ATOM 881 N GLU A 61 -12.334 -5.599 3.068 1.00 0.00 N ATOM 882 CA GLU A 61 -12.330 -6.765 2.191 1.00 0.00 C ATOM 883 C GLU A 61 -11.043 -7.566 2.358 1.00 0.00 C ATOM 884 O GLU A 61 -9.945 -7.009 2.334 1.00 0.00 O ATOM 885 CB GLU A 61 -12.491 -6.334 0.732 1.00 0.00 C ATOM 886 CG GLU A 61 -13.832 -5.684 0.433 1.00 0.00 C ATOM 887 CD GLU A 61 -14.926 -6.699 0.167 1.00 0.00 C ATOM 888 OE1 GLU A 61 -15.106 -7.610 1.002 1.00 0.00 O ATOM 889 OE2 GLU A 61 -15.603 -6.583 -0.876 1.00 0.00 O ATOM 0 H GLU A 61 -11.942 -4.755 2.650 1.00 0.00 H new ATOM 0 HA GLU A 61 -13.171 -7.400 2.469 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -11.694 -5.635 0.478 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -12.368 -7.205 0.089 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -14.122 -5.055 1.274 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -13.730 -5.030 -0.433 1.00 0.00 H new ATOM 896 N ASP A 62 -11.186 -8.877 2.525 1.00 0.00 N ATOM 897 CA ASP A 62 -10.035 -9.756 2.694 1.00 0.00 C ATOM 898 C ASP A 62 -9.607 -10.354 1.358 1.00 0.00 C ATOM 899 O ASP A 62 -10.318 -11.177 0.778 1.00 0.00 O ATOM 900 CB ASP A 62 -10.362 -10.873 3.687 1.00 0.00 C ATOM 901 CG ASP A 62 -10.025 -10.494 5.116 1.00 0.00 C ATOM 902 OD1 ASP A 62 -10.847 -9.805 5.756 1.00 0.00 O ATOM 903 OD2 ASP A 62 -8.940 -10.887 5.594 1.00 0.00 O ATOM 0 H ASP A 62 -12.088 -9.354 2.547 1.00 0.00 H new ATOM 0 HA ASP A 62 -9.209 -9.162 3.086 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -11.422 -11.117 3.619 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -9.810 -11.772 3.413 1.00 0.00 H new ATOM 908 N LEU A 63 -8.443 -9.938 0.875 1.00 0.00 N ATOM 909 CA LEU A 63 -7.919 -10.431 -0.394 1.00 0.00 C ATOM 910 C LEU A 63 -6.759 -11.395 -0.167 1.00 0.00 C ATOM 911 O LEU A 63 -6.151 -11.407 0.903 1.00 0.00 O ATOM 912 CB LEU A 63 -7.464 -9.264 -1.271 1.00 0.00 C ATOM 913 CG LEU A 63 -8.261 -7.966 -1.127 1.00 0.00 C ATOM 914 CD1 LEU A 63 -7.531 -6.815 -1.801 1.00 0.00 C ATOM 915 CD2 LEU A 63 -9.657 -8.131 -1.711 1.00 0.00 C ATOM 0 H LEU A 63 -7.843 -9.259 1.343 1.00 0.00 H new ATOM 0 HA LEU A 63 -8.719 -10.968 -0.904 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -6.419 -9.052 -1.046 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -7.508 -9.580 -2.313 1.00 0.00 H new ATOM 0 HG LEU A 63 -8.358 -7.736 -0.066 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -8.112 -5.900 -1.689 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -6.553 -6.683 -1.338 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -7.403 -7.036 -2.861 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -10.210 -7.198 -1.600 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -9.581 -8.385 -2.768 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -10.180 -8.928 -1.183 1.00 0.00 H new ATOM 927 N ILE A 64 -6.457 -12.199 -1.181 1.00 0.00 N ATOM 928 CA ILE A 64 -5.367 -13.163 -1.093 1.00 0.00 C ATOM 929 C ILE A 64 -4.263 -12.837 -2.093 1.00 0.00 C ATOM 930 O ILE A 64 -4.509 -12.747 -3.296 1.00 0.00 O ATOM 931 CB ILE A 64 -5.864 -14.599 -1.342 1.00 0.00 C ATOM 932 CG1 ILE A 64 -7.035 -14.925 -0.413 1.00 0.00 C ATOM 933 CG2 ILE A 64 -4.730 -15.594 -1.144 1.00 0.00 C ATOM 934 CD1 ILE A 64 -6.634 -15.064 1.039 1.00 0.00 C ATOM 0 H ILE A 64 -6.952 -12.202 -2.073 1.00 0.00 H new ATOM 0 HA ILE A 64 -4.968 -13.097 -0.081 1.00 0.00 H new ATOM 0 HB ILE A 64 -6.211 -14.674 -2.373 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -7.787 -14.141 -0.500 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -7.503 -15.853 -0.743 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -5.097 -16.604 -1.324 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -3.924 -15.371 -1.843 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -4.355 -15.520 -0.123 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -7.514 -15.295 1.639 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -5.905 -15.868 1.140 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -6.194 -14.129 1.386 1.00 0.00 H new ATOM 946 N ILE A 65 -3.046 -12.665 -1.588 1.00 0.00 N ATOM 947 CA ILE A 65 -1.904 -12.353 -2.437 1.00 0.00 C ATOM 948 C ILE A 65 -0.773 -13.355 -2.228 1.00 0.00 C ATOM 949 O ILE A 65 -0.238 -13.482 -1.127 1.00 0.00 O ATOM 950 CB ILE A 65 -1.372 -10.933 -2.167 1.00 0.00 C ATOM 951 CG1 ILE A 65 -2.375 -9.887 -2.661 1.00 0.00 C ATOM 952 CG2 ILE A 65 -0.021 -10.737 -2.836 1.00 0.00 C ATOM 953 CD1 ILE A 65 -1.991 -8.468 -2.307 1.00 0.00 C ATOM 0 H ILE A 65 -2.826 -12.737 -0.595 1.00 0.00 H new ATOM 0 HA ILE A 65 -2.253 -12.412 -3.468 1.00 0.00 H new ATOM 0 HB ILE A 65 -1.244 -10.807 -1.092 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -2.470 -9.970 -3.744 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -3.355 -10.106 -2.237 1.00 0.00 H new ATOM 0 HG21 ILE A 65 0.341 -9.729 -2.636 1.00 0.00 H new ATOM 0 HG22 ILE A 65 0.689 -11.463 -2.441 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -0.124 -10.879 -3.912 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -2.746 -7.781 -2.688 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -1.924 -8.369 -1.224 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -1.026 -8.230 -2.754 1.00 0.00 H new ATOM 965 N LYS A 66 -0.414 -14.064 -3.292 1.00 0.00 N ATOM 966 CA LYS A 66 0.655 -15.053 -3.229 1.00 0.00 C ATOM 967 C LYS A 66 0.307 -16.168 -2.248 1.00 0.00 C ATOM 968 O LYS A 66 1.185 -16.886 -1.771 1.00 0.00 O ATOM 969 CB LYS A 66 1.969 -14.387 -2.815 1.00 0.00 C ATOM 970 CG LYS A 66 2.427 -13.299 -3.769 1.00 0.00 C ATOM 971 CD LYS A 66 3.890 -13.467 -4.146 1.00 0.00 C ATOM 972 CE LYS A 66 4.043 -14.208 -5.466 1.00 0.00 C ATOM 973 NZ LYS A 66 4.257 -15.667 -5.262 1.00 0.00 N ATOM 0 H LYS A 66 -0.849 -13.972 -4.210 1.00 0.00 H new ATOM 0 HA LYS A 66 0.772 -15.489 -4.221 1.00 0.00 H new ATOM 0 HB2 LYS A 66 1.852 -13.959 -1.819 1.00 0.00 H new ATOM 0 HB3 LYS A 66 2.746 -15.148 -2.746 1.00 0.00 H new ATOM 0 HG2 LYS A 66 1.813 -13.322 -4.670 1.00 0.00 H new ATOM 0 HG3 LYS A 66 2.279 -12.323 -3.307 1.00 0.00 H new ATOM 0 HD2 LYS A 66 4.363 -12.488 -4.220 1.00 0.00 H new ATOM 0 HD3 LYS A 66 4.410 -14.013 -3.359 1.00 0.00 H new ATOM 0 HE2 LYS A 66 3.152 -14.053 -6.075 1.00 0.00 H new ATOM 0 HE3 LYS A 66 4.884 -13.792 -6.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 4.357 -16.136 -6.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 5.121 -15.816 -4.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 3.443 -16.070 -4.755 1.00 0.00 H new ATOM 987 N GLY A 67 -0.983 -16.309 -1.952 1.00 0.00 N ATOM 988 CA GLY A 67 -1.424 -17.340 -1.031 1.00 0.00 C ATOM 989 C GLY A 67 -1.746 -16.789 0.344 1.00 0.00 C ATOM 990 O GLY A 67 -2.553 -17.364 1.076 1.00 0.00 O ATOM 0 H GLY A 67 -1.729 -15.728 -2.334 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -2.307 -17.833 -1.438 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -0.648 -18.100 -0.942 1.00 0.00 H new ATOM 994 N ILE A 68 -1.113 -15.675 0.697 1.00 0.00 N ATOM 995 CA ILE A 68 -1.337 -15.048 1.993 1.00 0.00 C ATOM 996 C ILE A 68 -2.605 -14.201 1.983 1.00 0.00 C ATOM 997 O ILE A 68 -3.107 -13.829 0.923 1.00 0.00 O ATOM 998 CB ILE A 68 -0.146 -14.163 2.403 1.00 0.00 C ATOM 999 CG1 ILE A 68 -0.143 -12.866 1.593 1.00 0.00 C ATOM 1000 CG2 ILE A 68 1.163 -14.915 2.215 1.00 0.00 C ATOM 1001 CD1 ILE A 68 -0.295 -11.622 2.441 1.00 0.00 C ATOM 0 H ILE A 68 -0.441 -15.189 0.103 1.00 0.00 H new ATOM 0 HA ILE A 68 -1.447 -15.854 2.718 1.00 0.00 H new ATOM 0 HB ILE A 68 -0.248 -13.909 3.458 1.00 0.00 H new ATOM 0 HG12 ILE A 68 0.789 -12.801 1.031 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -0.953 -12.900 0.865 1.00 0.00 H new ATOM 0 HG21 ILE A 68 1.995 -14.276 2.509 1.00 0.00 H new ATOM 0 HG22 ILE A 68 1.159 -15.813 2.833 1.00 0.00 H new ATOM 0 HG23 ILE A 68 1.274 -15.196 1.168 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -0.284 -10.741 1.800 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -1.240 -11.665 2.983 1.00 0.00 H new ATOM 0 HD13 ILE A 68 0.529 -11.563 3.152 1.00 0.00 H new ATOM 1013 N SER A 69 -3.119 -13.900 3.172 1.00 0.00 N ATOM 1014 CA SER A 69 -4.330 -13.098 3.300 1.00 0.00 C ATOM 1015 C SER A 69 -4.012 -11.724 3.881 1.00 0.00 C ATOM 1016 O SER A 69 -3.449 -11.613 4.970 1.00 0.00 O ATOM 1017 CB SER A 69 -5.350 -13.815 4.186 1.00 0.00 C ATOM 1018 OG SER A 69 -6.625 -13.205 4.092 1.00 0.00 O ATOM 0 H SER A 69 -2.716 -14.199 4.060 1.00 0.00 H new ATOM 0 HA SER A 69 -4.754 -12.963 2.305 1.00 0.00 H new ATOM 0 HB2 SER A 69 -5.421 -14.862 3.890 1.00 0.00 H new ATOM 0 HB3 SER A 69 -5.011 -13.799 5.222 1.00 0.00 H new ATOM 0 HG SER A 69 -7.259 -13.683 4.666 1.00 0.00 H new ATOM 1024 N VAL A 70 -4.379 -10.678 3.147 1.00 0.00 N ATOM 1025 CA VAL A 70 -4.135 -9.310 3.588 1.00 0.00 C ATOM 1026 C VAL A 70 -5.442 -8.600 3.922 1.00 0.00 C ATOM 1027 O VAL A 70 -6.513 -9.001 3.467 1.00 0.00 O ATOM 1028 CB VAL A 70 -3.382 -8.501 2.517 1.00 0.00 C ATOM 1029 CG1 VAL A 70 -1.956 -9.007 2.368 1.00 0.00 C ATOM 1030 CG2 VAL A 70 -4.120 -8.561 1.188 1.00 0.00 C ATOM 0 H VAL A 70 -4.847 -10.752 2.244 1.00 0.00 H new ATOM 0 HA VAL A 70 -3.519 -9.371 4.485 1.00 0.00 H new ATOM 0 HB VAL A 70 -3.340 -7.460 2.837 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -1.440 -8.422 1.606 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -1.433 -8.906 3.319 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -1.971 -10.056 2.072 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -3.574 -7.984 0.442 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -4.196 -9.598 0.860 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -5.120 -8.145 1.308 1.00 0.00 H new ATOM 1040 N HIS A 71 -5.347 -7.541 4.721 1.00 0.00 N ATOM 1041 CA HIS A 71 -6.522 -6.773 5.115 1.00 0.00 C ATOM 1042 C HIS A 71 -6.374 -5.309 4.710 1.00 0.00 C ATOM 1043 O HIS A 71 -5.391 -4.654 5.060 1.00 0.00 O ATOM 1044 CB HIS A 71 -6.742 -6.877 6.625 1.00 0.00 C ATOM 1045 CG HIS A 71 -8.009 -6.229 7.092 1.00 0.00 C ATOM 1046 ND1 HIS A 71 -9.107 -6.945 7.522 1.00 0.00 N ATOM 1047 CD2 HIS A 71 -8.351 -4.923 7.194 1.00 0.00 C ATOM 1048 CE1 HIS A 71 -10.068 -6.109 7.868 1.00 0.00 C ATOM 1049 NE2 HIS A 71 -9.635 -4.875 7.679 1.00 0.00 N ATOM 0 H HIS A 71 -4.468 -7.196 5.108 1.00 0.00 H new ATOM 0 HA HIS A 71 -7.388 -7.189 4.600 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -6.755 -7.929 6.910 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -5.898 -6.418 7.139 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -7.730 -4.077 6.941 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -11.042 -6.386 8.242 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -10.168 -4.025 7.863 1.00 0.00 H new ATOM 1057 N ILE A 72 -7.357 -4.802 3.972 1.00 0.00 N ATOM 1058 CA ILE A 72 -7.336 -3.416 3.522 1.00 0.00 C ATOM 1059 C ILE A 72 -7.951 -2.489 4.565 1.00 0.00 C ATOM 1060 O ILE A 72 -9.060 -2.726 5.044 1.00 0.00 O ATOM 1061 CB ILE A 72 -8.091 -3.246 2.190 1.00 0.00 C ATOM 1062 CG1 ILE A 72 -7.785 -4.415 1.252 1.00 0.00 C ATOM 1063 CG2 ILE A 72 -7.720 -1.924 1.536 1.00 0.00 C ATOM 1064 CD1 ILE A 72 -6.337 -4.481 0.821 1.00 0.00 C ATOM 0 H ILE A 72 -8.177 -5.330 3.674 1.00 0.00 H new ATOM 0 HA ILE A 72 -6.290 -3.148 3.374 1.00 0.00 H new ATOM 0 HB ILE A 72 -9.162 -3.240 2.395 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -8.051 -5.348 1.749 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -8.416 -4.335 0.367 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -8.262 -1.819 0.596 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -7.984 -1.102 2.201 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -6.648 -1.903 1.341 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -6.193 -5.334 0.158 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -6.072 -3.564 0.295 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -5.701 -4.593 1.699 1.00 0.00 H new ATOM 1076 N SER A 73 -7.224 -1.432 4.911 1.00 0.00 N ATOM 1077 CA SER A 73 -7.698 -0.469 5.899 1.00 0.00 C ATOM 1078 C SER A 73 -7.353 0.955 5.476 1.00 0.00 C ATOM 1079 O SER A 73 -6.309 1.201 4.874 1.00 0.00 O ATOM 1080 CB SER A 73 -7.085 -0.770 7.269 1.00 0.00 C ATOM 1081 OG SER A 73 -5.676 -0.885 7.183 1.00 0.00 O ATOM 0 H SER A 73 -6.305 -1.220 4.522 1.00 0.00 H new ATOM 0 HA SER A 73 -8.782 -0.557 5.967 1.00 0.00 H new ATOM 0 HB2 SER A 73 -7.346 0.023 7.970 1.00 0.00 H new ATOM 0 HB3 SER A 73 -7.505 -1.695 7.663 1.00 0.00 H new ATOM 0 HG SER A 73 -5.309 -1.076 8.071 1.00 0.00 H new