USER MOD reduce.3.24.130724 H: found=0, std=0, add=645, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 646 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 39 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 70 ASN : amide:sc=-0.00461 K(o=-0.0046,f=-0.91) USER MOD Single : A 14 HIS : no HD1:sc= 0 K(o=0,f=-0.97) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0427 USER MOD Single : A 31 GLN : amide:sc= -0.753 K(o=-0.75,f=0) USER MOD Single : A 37 SER OG : rot 180:sc=-0.00918 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -0.0377 K(o=-0.038,f=-5.7!) USER MOD Single : A 55 THR OG1 : rot -42:sc= 1.19 USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.426 USER MOD Single : A 62 SER OG : rot -56:sc= 0.504 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot -60:sc= 0.272 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 HIS : no HD1:sc= -20.8! C(o=-21!,f=-23!) USER MOD Single : A 79 THR OG1 : rot 120:sc= 1.21 USER MOD ----------------------------------------------------------------- ATOM 99 N GLY A 10 13.602 -0.425 0.017 1.00 0.00 N ATOM 100 CA GLY A 10 14.454 -0.450 1.191 1.00 0.00 C ATOM 101 C GLY A 10 14.253 0.763 2.079 1.00 0.00 C ATOM 102 O GLY A 10 13.933 0.630 3.261 1.00 0.00 O ATOM 0 HA2 GLY A 10 14.251 -1.354 1.765 1.00 0.00 H new ATOM 0 HA3 GLY A 10 15.497 -0.499 0.878 1.00 0.00 H new ATOM 106 N LEU A 11 14.443 1.948 1.510 1.00 0.00 N ATOM 107 CA LEU A 11 14.282 3.190 2.258 1.00 0.00 C ATOM 108 C LEU A 11 12.807 3.488 2.509 1.00 0.00 C ATOM 109 O LEU A 11 12.462 4.508 3.106 1.00 0.00 O ATOM 110 CB LEU A 11 14.928 4.352 1.501 1.00 0.00 C ATOM 111 CG LEU A 11 14.099 4.956 0.367 1.00 0.00 C ATOM 112 CD1 LEU A 11 13.512 3.860 -0.508 1.00 0.00 C ATOM 113 CD2 LEU A 11 12.996 5.843 0.926 1.00 0.00 C ATOM 0 H LEU A 11 14.709 2.075 0.533 1.00 0.00 H new ATOM 0 HA LEU A 11 14.778 3.072 3.221 1.00 0.00 H new ATOM 0 HB2 LEU A 11 15.159 5.142 2.216 1.00 0.00 H new ATOM 0 HB3 LEU A 11 15.876 4.008 1.088 1.00 0.00 H new ATOM 0 HG LEU A 11 14.755 5.571 -0.249 1.00 0.00 H new ATOM 0 HD11 LEU A 11 12.925 4.309 -1.309 1.00 0.00 H new ATOM 0 HD12 LEU A 11 14.319 3.266 -0.938 1.00 0.00 H new ATOM 0 HD13 LEU A 11 12.870 3.218 0.095 1.00 0.00 H new ATOM 0 HD21 LEU A 11 12.416 6.264 0.105 1.00 0.00 H new ATOM 0 HD22 LEU A 11 12.342 5.251 1.565 1.00 0.00 H new ATOM 0 HD23 LEU A 11 13.439 6.651 1.509 1.00 0.00 H new ATOM 125 N LEU A 12 11.942 2.590 2.051 1.00 0.00 N ATOM 126 CA LEU A 12 10.503 2.756 2.227 1.00 0.00 C ATOM 127 C LEU A 12 10.126 2.704 3.704 1.00 0.00 C ATOM 128 O LEU A 12 9.586 3.665 4.252 1.00 0.00 O ATOM 129 CB LEU A 12 9.747 1.671 1.457 1.00 0.00 C ATOM 130 CG LEU A 12 9.368 2.011 0.016 1.00 0.00 C ATOM 131 CD1 LEU A 12 10.477 1.599 -0.940 1.00 0.00 C ATOM 132 CD2 LEU A 12 8.057 1.339 -0.364 1.00 0.00 C ATOM 0 H LEU A 12 12.211 1.740 1.555 1.00 0.00 H new ATOM 0 HA LEU A 12 10.224 3.734 1.834 1.00 0.00 H new ATOM 0 HB2 LEU A 12 10.358 0.768 1.447 1.00 0.00 H new ATOM 0 HB3 LEU A 12 8.835 1.433 2.005 1.00 0.00 H new ATOM 0 HG LEU A 12 9.235 3.090 -0.059 1.00 0.00 H new ATOM 0 HD11 LEU A 12 10.189 1.849 -1.961 1.00 0.00 H new ATOM 0 HD12 LEU A 12 11.395 2.128 -0.682 1.00 0.00 H new ATOM 0 HD13 LEU A 12 10.643 0.525 -0.863 1.00 0.00 H new ATOM 0 HD21 LEU A 12 7.803 1.592 -1.393 1.00 0.00 H new ATOM 0 HD22 LEU A 12 8.162 0.258 -0.272 1.00 0.00 H new ATOM 0 HD23 LEU A 12 7.265 1.684 0.301 1.00 0.00 H new ATOM 144 N VAL A 13 10.416 1.576 4.344 1.00 0.00 N ATOM 145 CA VAL A 13 10.111 1.399 5.759 1.00 0.00 C ATOM 146 C VAL A 13 10.502 2.634 6.564 1.00 0.00 C ATOM 147 O VAL A 13 9.834 2.993 7.534 1.00 0.00 O ATOM 148 CB VAL A 13 10.835 0.170 6.340 1.00 0.00 C ATOM 149 CG1 VAL A 13 10.290 -1.110 5.727 1.00 0.00 C ATOM 150 CG2 VAL A 13 12.335 0.281 6.118 1.00 0.00 C ATOM 0 H VAL A 13 10.862 0.771 3.905 1.00 0.00 H new ATOM 0 HA VAL A 13 9.034 1.246 5.834 1.00 0.00 H new ATOM 0 HB VAL A 13 10.652 0.136 7.414 1.00 0.00 H new ATOM 0 HG11 VAL A 13 10.814 -1.967 6.150 1.00 0.00 H new ATOM 0 HG12 VAL A 13 9.225 -1.192 5.944 1.00 0.00 H new ATOM 0 HG13 VAL A 13 10.440 -1.089 4.648 1.00 0.00 H new ATOM 0 HG21 VAL A 13 12.830 -0.596 6.535 1.00 0.00 H new ATOM 0 HG22 VAL A 13 12.541 0.341 5.049 1.00 0.00 H new ATOM 0 HG23 VAL A 13 12.710 1.178 6.610 1.00 0.00 H new ATOM 160 N HIS A 14 11.589 3.280 6.154 1.00 0.00 N ATOM 161 CA HIS A 14 12.069 4.477 6.837 1.00 0.00 C ATOM 162 C HIS A 14 11.175 5.674 6.529 1.00 0.00 C ATOM 163 O HIS A 14 10.504 6.205 7.415 1.00 0.00 O ATOM 164 CB HIS A 14 13.509 4.782 6.423 1.00 0.00 C ATOM 165 CG HIS A 14 14.481 3.705 6.798 1.00 0.00 C ATOM 166 ND1 HIS A 14 15.368 3.147 5.902 1.00 0.00 N ATOM 167 CD2 HIS A 14 14.703 3.084 7.980 1.00 0.00 C ATOM 168 CE1 HIS A 14 16.093 2.229 6.516 1.00 0.00 C ATOM 169 NE2 HIS A 14 15.709 2.172 7.779 1.00 0.00 N ATOM 0 H HIS A 14 12.154 2.996 5.354 1.00 0.00 H new ATOM 0 HA HIS A 14 12.038 4.290 7.910 1.00 0.00 H new ATOM 0 HB2 HIS A 14 13.544 4.932 5.344 1.00 0.00 H new ATOM 0 HB3 HIS A 14 13.821 5.719 6.885 1.00 0.00 H new ATOM 0 HD2 HIS A 14 14.185 3.271 8.909 1.00 0.00 H new ATOM 0 HE1 HIS A 14 16.867 1.628 6.063 1.00 0.00 H new ATOM 0 HE2 HIS A 14 16.097 1.551 8.489 1.00 0.00 H new ATOM 178 N LYS A 15 11.170 6.094 5.269 1.00 0.00 N ATOM 179 CA LYS A 15 10.359 7.228 4.843 1.00 0.00 C ATOM 180 C LYS A 15 8.880 6.970 5.114 1.00 0.00 C ATOM 181 O LYS A 15 8.247 6.161 4.436 1.00 0.00 O ATOM 182 CB LYS A 15 10.575 7.506 3.354 1.00 0.00 C ATOM 183 CG LYS A 15 9.601 8.519 2.777 1.00 0.00 C ATOM 184 CD LYS A 15 9.385 8.299 1.289 1.00 0.00 C ATOM 185 CE LYS A 15 8.871 9.558 0.608 1.00 0.00 C ATOM 186 NZ LYS A 15 9.191 9.572 -0.846 1.00 0.00 N ATOM 0 H LYS A 15 11.719 5.665 4.524 1.00 0.00 H new ATOM 0 HA LYS A 15 10.669 8.101 5.417 1.00 0.00 H new ATOM 0 HB2 LYS A 15 11.593 7.867 3.204 1.00 0.00 H new ATOM 0 HB3 LYS A 15 10.484 6.571 2.801 1.00 0.00 H new ATOM 0 HG2 LYS A 15 8.647 8.446 3.299 1.00 0.00 H new ATOM 0 HG3 LYS A 15 9.980 9.527 2.946 1.00 0.00 H new ATOM 0 HD2 LYS A 15 10.322 7.991 0.826 1.00 0.00 H new ATOM 0 HD3 LYS A 15 8.673 7.487 1.140 1.00 0.00 H new ATOM 0 HE2 LYS A 15 7.792 9.629 0.743 1.00 0.00 H new ATOM 0 HE3 LYS A 15 9.310 10.434 1.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 8.824 10.446 -1.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 10.222 9.530 -0.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 8.751 8.750 -1.306 1.00 0.00 H new ATOM 200 N ALA A 16 8.334 7.665 6.107 1.00 0.00 N ATOM 201 CA ALA A 16 6.929 7.514 6.464 1.00 0.00 C ATOM 202 C ALA A 16 6.073 7.265 5.227 1.00 0.00 C ATOM 203 O ALA A 16 6.264 7.899 4.190 1.00 0.00 O ATOM 204 CB ALA A 16 6.439 8.746 7.210 1.00 0.00 C ATOM 0 H ALA A 16 8.844 8.338 6.679 1.00 0.00 H new ATOM 0 HA ALA A 16 6.836 6.647 7.118 1.00 0.00 H new ATOM 0 HB1 ALA A 16 5.388 8.620 7.470 1.00 0.00 H new ATOM 0 HB2 ALA A 16 7.025 8.878 8.120 1.00 0.00 H new ATOM 0 HB3 ALA A 16 6.552 9.625 6.575 1.00 0.00 H new ATOM 210 N VAL A 17 5.128 6.338 5.344 1.00 0.00 N ATOM 211 CA VAL A 17 4.241 6.006 4.235 1.00 0.00 C ATOM 212 C VAL A 17 3.421 7.217 3.806 1.00 0.00 C ATOM 213 O VAL A 17 3.068 7.357 2.635 1.00 0.00 O ATOM 214 CB VAL A 17 3.284 4.857 4.606 1.00 0.00 C ATOM 215 CG1 VAL A 17 2.306 4.589 3.473 1.00 0.00 C ATOM 216 CG2 VAL A 17 4.070 3.601 4.951 1.00 0.00 C ATOM 0 H VAL A 17 4.957 5.803 6.196 1.00 0.00 H new ATOM 0 HA VAL A 17 4.875 5.688 3.407 1.00 0.00 H new ATOM 0 HB VAL A 17 2.711 5.153 5.485 1.00 0.00 H new ATOM 0 HG11 VAL A 17 1.638 3.774 3.754 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.720 5.487 3.278 1.00 0.00 H new ATOM 0 HG13 VAL A 17 2.857 4.313 2.574 1.00 0.00 H new ATOM 0 HG21 VAL A 17 3.379 2.799 5.211 1.00 0.00 H new ATOM 0 HG22 VAL A 17 4.669 3.299 4.092 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.726 3.803 5.798 1.00 0.00 H new ATOM 226 N ASP A 18 3.121 8.090 4.761 1.00 0.00 N ATOM 227 CA ASP A 18 2.343 9.291 4.482 1.00 0.00 C ATOM 228 C ASP A 18 3.107 10.230 3.554 1.00 0.00 C ATOM 229 O ASP A 18 2.590 11.267 3.138 1.00 0.00 O ATOM 230 CB ASP A 18 1.995 10.014 5.785 1.00 0.00 C ATOM 231 CG ASP A 18 1.725 11.490 5.574 1.00 0.00 C ATOM 232 OD1 ASP A 18 2.692 12.241 5.328 1.00 0.00 O ATOM 233 OD2 ASP A 18 0.546 11.896 5.656 1.00 0.00 O ATOM 0 H ASP A 18 3.405 7.988 5.735 1.00 0.00 H new ATOM 0 HA ASP A 18 1.421 8.989 3.986 1.00 0.00 H new ATOM 0 HB2 ASP A 18 1.117 9.548 6.233 1.00 0.00 H new ATOM 0 HB3 ASP A 18 2.815 9.895 6.493 1.00 0.00 H new ATOM 238 N LYS A 19 4.343 9.861 3.234 1.00 0.00 N ATOM 239 CA LYS A 19 5.180 10.669 2.354 1.00 0.00 C ATOM 240 C LYS A 19 5.336 10.004 0.990 1.00 0.00 C ATOM 241 O LYS A 19 5.937 10.572 0.078 1.00 0.00 O ATOM 242 CB LYS A 19 6.555 10.889 2.987 1.00 0.00 C ATOM 243 CG LYS A 19 6.654 12.169 3.799 1.00 0.00 C ATOM 244 CD LYS A 19 5.810 12.095 5.061 1.00 0.00 C ATOM 245 CE LYS A 19 6.357 13.005 6.150 1.00 0.00 C ATOM 246 NZ LYS A 19 5.966 14.425 5.934 1.00 0.00 N ATOM 0 H LYS A 19 4.788 9.007 3.571 1.00 0.00 H new ATOM 0 HA LYS A 19 4.693 11.634 2.214 1.00 0.00 H new ATOM 0 HB2 LYS A 19 6.789 10.041 3.631 1.00 0.00 H new ATOM 0 HB3 LYS A 19 7.309 10.909 2.200 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.695 12.352 4.066 1.00 0.00 H new ATOM 0 HG3 LYS A 19 6.328 13.013 3.191 1.00 0.00 H new ATOM 0 HD2 LYS A 19 4.783 12.378 4.830 1.00 0.00 H new ATOM 0 HD3 LYS A 19 5.784 11.067 5.423 1.00 0.00 H new ATOM 0 HE2 LYS A 19 5.990 12.671 7.121 1.00 0.00 H new ATOM 0 HE3 LYS A 19 7.444 12.928 6.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 6.358 15.013 6.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 6.337 14.752 5.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 4.929 14.503 5.935 1.00 0.00 H new ATOM 260 N TRP A 20 4.791 8.800 0.858 1.00 0.00 N ATOM 261 CA TRP A 20 4.870 8.060 -0.396 1.00 0.00 C ATOM 262 C TRP A 20 4.030 8.731 -1.478 1.00 0.00 C ATOM 263 O TRP A 20 3.200 9.593 -1.189 1.00 0.00 O ATOM 264 CB TRP A 20 4.402 6.618 -0.191 1.00 0.00 C ATOM 265 CG TRP A 20 5.261 5.845 0.763 1.00 0.00 C ATOM 266 CD1 TRP A 20 6.284 6.333 1.525 1.00 0.00 C ATOM 267 CD2 TRP A 20 5.173 4.446 1.055 1.00 0.00 C ATOM 268 NE1 TRP A 20 6.837 5.321 2.273 1.00 0.00 N ATOM 269 CE2 TRP A 20 6.173 4.154 2.003 1.00 0.00 C ATOM 270 CE3 TRP A 20 4.346 3.411 0.609 1.00 0.00 C ATOM 271 CZ2 TRP A 20 6.366 2.872 2.510 1.00 0.00 C ATOM 272 CZ3 TRP A 20 4.539 2.139 1.113 1.00 0.00 C ATOM 273 CH2 TRP A 20 5.542 1.878 2.055 1.00 0.00 C ATOM 0 H TRP A 20 4.290 8.316 1.603 1.00 0.00 H new ATOM 0 HA TRP A 20 5.910 8.055 -0.721 1.00 0.00 H new ATOM 0 HB2 TRP A 20 3.377 6.625 0.179 1.00 0.00 H new ATOM 0 HB3 TRP A 20 4.390 6.107 -1.154 1.00 0.00 H new ATOM 0 HD1 TRP A 20 6.610 7.362 1.538 1.00 0.00 H new ATOM 0 HE1 TRP A 20 7.616 5.423 2.924 1.00 0.00 H new ATOM 0 HE3 TRP A 20 3.570 3.602 -0.117 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 7.139 2.669 3.237 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 3.906 1.332 0.775 1.00 0.00 H new ATOM 0 HH2 TRP A 20 5.668 0.873 2.430 1.00 0.00 H new ATOM 284 N THR A 21 4.251 8.330 -2.726 1.00 0.00 N ATOM 285 CA THR A 21 3.516 8.893 -3.851 1.00 0.00 C ATOM 286 C THR A 21 2.747 7.812 -4.602 1.00 0.00 C ATOM 287 O THR A 21 3.093 6.632 -4.539 1.00 0.00 O ATOM 288 CB THR A 21 4.458 9.614 -4.833 1.00 0.00 C ATOM 289 OG1 THR A 21 5.603 8.798 -5.103 1.00 0.00 O ATOM 290 CG2 THR A 21 4.906 10.954 -4.269 1.00 0.00 C ATOM 0 H THR A 21 4.934 7.617 -2.983 1.00 0.00 H new ATOM 0 HA THR A 21 2.812 9.615 -3.439 1.00 0.00 H new ATOM 0 HB THR A 21 3.913 9.792 -5.760 1.00 0.00 H new ATOM 0 HG1 THR A 21 6.196 9.263 -5.730 1.00 0.00 H new ATOM 0 HG21 THR A 21 5.570 11.444 -4.980 1.00 0.00 H new ATOM 0 HG22 THR A 21 4.034 11.584 -4.093 1.00 0.00 H new ATOM 0 HG23 THR A 21 5.435 10.795 -3.329 1.00 0.00 H new ATOM 298 N THR A 22 1.703 8.222 -5.315 1.00 0.00 N ATOM 299 CA THR A 22 0.885 7.288 -6.079 1.00 0.00 C ATOM 300 C THR A 22 1.741 6.195 -6.708 1.00 0.00 C ATOM 301 O THR A 22 1.269 5.083 -6.942 1.00 0.00 O ATOM 302 CB THR A 22 0.096 8.009 -7.188 1.00 0.00 C ATOM 303 OG1 THR A 22 -0.360 9.282 -6.716 1.00 0.00 O ATOM 304 CG2 THR A 22 -1.094 7.174 -7.636 1.00 0.00 C ATOM 0 H THR A 22 1.404 9.195 -5.379 1.00 0.00 H new ATOM 0 HA THR A 22 0.182 6.837 -5.378 1.00 0.00 H new ATOM 0 HB THR A 22 0.760 8.154 -8.040 1.00 0.00 H new ATOM 0 HG1 THR A 22 -0.859 9.735 -7.427 1.00 0.00 H new ATOM 0 HG21 THR A 22 -1.636 7.704 -8.420 1.00 0.00 H new ATOM 0 HG22 THR A 22 -0.742 6.217 -8.021 1.00 0.00 H new ATOM 0 HG23 THR A 22 -1.758 7.002 -6.789 1.00 0.00 H new ATOM 312 N GLU A 23 3.001 6.519 -6.980 1.00 0.00 N ATOM 313 CA GLU A 23 3.922 5.563 -7.583 1.00 0.00 C ATOM 314 C GLU A 23 4.452 4.585 -6.538 1.00 0.00 C ATOM 315 O GLU A 23 4.230 3.379 -6.634 1.00 0.00 O ATOM 316 CB GLU A 23 5.088 6.296 -8.250 1.00 0.00 C ATOM 317 CG GLU A 23 5.665 5.559 -9.447 1.00 0.00 C ATOM 318 CD GLU A 23 6.473 6.465 -10.355 1.00 0.00 C ATOM 319 OE1 GLU A 23 7.469 7.049 -9.879 1.00 0.00 O ATOM 320 OE2 GLU A 23 6.110 6.589 -11.544 1.00 0.00 O ATOM 0 H GLU A 23 3.407 7.436 -6.792 1.00 0.00 H new ATOM 0 HA GLU A 23 3.377 4.999 -8.340 1.00 0.00 H new ATOM 0 HB2 GLU A 23 4.751 7.282 -8.569 1.00 0.00 H new ATOM 0 HB3 GLU A 23 5.877 6.451 -7.514 1.00 0.00 H new ATOM 0 HG2 GLU A 23 6.298 4.744 -9.097 1.00 0.00 H new ATOM 0 HG3 GLU A 23 4.853 5.109 -10.018 1.00 0.00 H new ATOM 327 N GLU A 24 5.154 5.116 -5.542 1.00 0.00 N ATOM 328 CA GLU A 24 5.717 4.290 -4.480 1.00 0.00 C ATOM 329 C GLU A 24 4.642 3.414 -3.844 1.00 0.00 C ATOM 330 O GLU A 24 4.847 2.220 -3.625 1.00 0.00 O ATOM 331 CB GLU A 24 6.372 5.169 -3.412 1.00 0.00 C ATOM 332 CG GLU A 24 7.613 5.897 -3.901 1.00 0.00 C ATOM 333 CD GLU A 24 8.400 5.093 -4.917 1.00 0.00 C ATOM 334 OE1 GLU A 24 9.222 4.251 -4.501 1.00 0.00 O ATOM 335 OE2 GLU A 24 8.192 5.306 -6.131 1.00 0.00 O ATOM 0 H GLU A 24 5.346 6.113 -5.448 1.00 0.00 H new ATOM 0 HA GLU A 24 6.474 3.643 -4.922 1.00 0.00 H new ATOM 0 HB2 GLU A 24 5.646 5.902 -3.061 1.00 0.00 H new ATOM 0 HB3 GLU A 24 6.638 4.549 -2.556 1.00 0.00 H new ATOM 0 HG2 GLU A 24 7.320 6.848 -4.345 1.00 0.00 H new ATOM 0 HG3 GLU A 24 8.254 6.126 -3.050 1.00 0.00 H new ATOM 342 N VAL A 25 3.494 4.017 -3.549 1.00 0.00 N ATOM 343 CA VAL A 25 2.385 3.293 -2.939 1.00 0.00 C ATOM 344 C VAL A 25 2.156 1.954 -3.631 1.00 0.00 C ATOM 345 O VAL A 25 2.058 0.914 -2.979 1.00 0.00 O ATOM 346 CB VAL A 25 1.084 4.114 -2.989 1.00 0.00 C ATOM 347 CG1 VAL A 25 -0.071 3.322 -2.394 1.00 0.00 C ATOM 348 CG2 VAL A 25 1.262 5.439 -2.263 1.00 0.00 C ATOM 0 H VAL A 25 3.308 5.005 -3.723 1.00 0.00 H new ATOM 0 HA VAL A 25 2.655 3.118 -1.898 1.00 0.00 H new ATOM 0 HB VAL A 25 0.849 4.326 -4.032 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -0.982 3.919 -2.438 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -0.212 2.402 -2.961 1.00 0.00 H new ATOM 0 HG13 VAL A 25 0.152 3.077 -1.356 1.00 0.00 H new ATOM 0 HG21 VAL A 25 0.332 6.006 -2.308 1.00 0.00 H new ATOM 0 HG22 VAL A 25 1.522 5.251 -1.221 1.00 0.00 H new ATOM 0 HG23 VAL A 25 2.059 6.010 -2.739 1.00 0.00 H new ATOM 358 N VAL A 26 2.070 1.987 -4.957 1.00 0.00 N ATOM 359 CA VAL A 26 1.853 0.775 -5.739 1.00 0.00 C ATOM 360 C VAL A 26 3.079 -0.129 -5.703 1.00 0.00 C ATOM 361 O VAL A 26 2.960 -1.354 -5.653 1.00 0.00 O ATOM 362 CB VAL A 26 1.516 1.107 -7.205 1.00 0.00 C ATOM 363 CG1 VAL A 26 1.514 -0.157 -8.051 1.00 0.00 C ATOM 364 CG2 VAL A 26 0.176 1.821 -7.296 1.00 0.00 C ATOM 0 H VAL A 26 2.147 2.839 -5.512 1.00 0.00 H new ATOM 0 HA VAL A 26 1.008 0.254 -5.288 1.00 0.00 H new ATOM 0 HB VAL A 26 2.284 1.775 -7.594 1.00 0.00 H new ATOM 0 HG11 VAL A 26 1.274 0.097 -9.084 1.00 0.00 H new ATOM 0 HG12 VAL A 26 2.499 -0.623 -8.011 1.00 0.00 H new ATOM 0 HG13 VAL A 26 0.768 -0.852 -7.665 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -0.045 2.048 -8.339 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -0.606 1.180 -6.890 1.00 0.00 H new ATOM 0 HG23 VAL A 26 0.218 2.748 -6.724 1.00 0.00 H new ATOM 374 N LEU A 27 4.259 0.481 -5.727 1.00 0.00 N ATOM 375 CA LEU A 27 5.510 -0.269 -5.696 1.00 0.00 C ATOM 376 C LEU A 27 5.597 -1.129 -4.439 1.00 0.00 C ATOM 377 O LEU A 27 5.897 -2.321 -4.511 1.00 0.00 O ATOM 378 CB LEU A 27 6.702 0.687 -5.757 1.00 0.00 C ATOM 379 CG LEU A 27 7.220 1.025 -7.156 1.00 0.00 C ATOM 380 CD1 LEU A 27 8.457 1.905 -7.069 1.00 0.00 C ATOM 381 CD2 LEU A 27 7.523 -0.248 -7.934 1.00 0.00 C ATOM 0 H LEU A 27 4.376 1.493 -5.768 1.00 0.00 H new ATOM 0 HA LEU A 27 5.534 -0.925 -6.566 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.423 1.616 -5.260 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.521 0.252 -5.183 1.00 0.00 H new ATOM 0 HG LEU A 27 6.444 1.576 -7.687 1.00 0.00 H new ATOM 0 HD11 LEU A 27 8.811 2.135 -8.074 1.00 0.00 H new ATOM 0 HD12 LEU A 27 8.209 2.831 -6.551 1.00 0.00 H new ATOM 0 HD13 LEU A 27 9.239 1.380 -6.520 1.00 0.00 H new ATOM 0 HD21 LEU A 27 7.890 0.011 -8.927 1.00 0.00 H new ATOM 0 HD22 LEU A 27 8.282 -0.825 -7.406 1.00 0.00 H new ATOM 0 HD23 LEU A 27 6.614 -0.842 -8.027 1.00 0.00 H new ATOM 393 N TRP A 28 5.333 -0.518 -3.291 1.00 0.00 N ATOM 394 CA TRP A 28 5.380 -1.229 -2.018 1.00 0.00 C ATOM 395 C TRP A 28 4.418 -2.412 -2.019 1.00 0.00 C ATOM 396 O TRP A 28 4.736 -3.484 -1.504 1.00 0.00 O ATOM 397 CB TRP A 28 5.040 -0.280 -0.867 1.00 0.00 C ATOM 398 CG TRP A 28 4.617 -0.991 0.383 1.00 0.00 C ATOM 399 CD1 TRP A 28 5.433 -1.538 1.331 1.00 0.00 C ATOM 400 CD2 TRP A 28 3.275 -1.232 0.819 1.00 0.00 C ATOM 401 NE1 TRP A 28 4.680 -2.105 2.330 1.00 0.00 N ATOM 402 CE2 TRP A 28 3.352 -1.930 2.040 1.00 0.00 C ATOM 403 CE3 TRP A 28 2.015 -0.925 0.298 1.00 0.00 C ATOM 404 CZ2 TRP A 28 2.219 -2.325 2.745 1.00 0.00 C ATOM 405 CZ3 TRP A 28 0.890 -1.318 0.999 1.00 0.00 C ATOM 406 CH2 TRP A 28 0.998 -2.011 2.212 1.00 0.00 C ATOM 0 H TRP A 28 5.084 0.468 -3.214 1.00 0.00 H new ATOM 0 HA TRP A 28 6.392 -1.608 -1.880 1.00 0.00 H new ATOM 0 HB2 TRP A 28 5.909 0.340 -0.648 1.00 0.00 H new ATOM 0 HB3 TRP A 28 4.241 0.391 -1.183 1.00 0.00 H new ATOM 0 HD1 TRP A 28 6.512 -1.527 1.300 1.00 0.00 H new ATOM 0 HE1 TRP A 28 5.049 -2.579 3.154 1.00 0.00 H new ATOM 0 HE3 TRP A 28 1.922 -0.390 -0.636 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 2.300 -2.860 3.679 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -0.089 -1.087 0.605 1.00 0.00 H new ATOM 0 HH2 TRP A 28 0.100 -2.303 2.737 1.00 0.00 H new ATOM 417 N LEU A 29 3.241 -2.211 -2.601 1.00 0.00 N ATOM 418 CA LEU A 29 2.232 -3.262 -2.670 1.00 0.00 C ATOM 419 C LEU A 29 2.586 -4.288 -3.742 1.00 0.00 C ATOM 420 O LEU A 29 2.212 -5.456 -3.644 1.00 0.00 O ATOM 421 CB LEU A 29 0.856 -2.658 -2.960 1.00 0.00 C ATOM 422 CG LEU A 29 -0.237 -3.645 -3.371 1.00 0.00 C ATOM 423 CD1 LEU A 29 -0.864 -4.289 -2.144 1.00 0.00 C ATOM 424 CD2 LEU A 29 -1.298 -2.947 -4.210 1.00 0.00 C ATOM 0 H LEU A 29 2.962 -1.330 -3.032 1.00 0.00 H new ATOM 0 HA LEU A 29 2.204 -3.768 -1.705 1.00 0.00 H new ATOM 0 HB2 LEU A 29 0.521 -2.125 -2.070 1.00 0.00 H new ATOM 0 HB3 LEU A 29 0.966 -1.918 -3.753 1.00 0.00 H new ATOM 0 HG LEU A 29 0.218 -4.430 -3.975 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -1.640 -4.988 -2.456 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.098 -4.824 -1.582 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -1.304 -3.517 -1.513 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -2.068 -3.665 -4.494 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -1.749 -2.142 -3.630 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -0.838 -2.534 -5.108 1.00 0.00 H new ATOM 436 N GLU A 30 3.310 -3.842 -4.764 1.00 0.00 N ATOM 437 CA GLU A 30 3.716 -4.722 -5.853 1.00 0.00 C ATOM 438 C GLU A 30 4.873 -5.620 -5.425 1.00 0.00 C ATOM 439 O GLU A 30 5.450 -6.337 -6.242 1.00 0.00 O ATOM 440 CB GLU A 30 4.119 -3.901 -7.079 1.00 0.00 C ATOM 441 CG GLU A 30 2.946 -3.500 -7.957 1.00 0.00 C ATOM 442 CD GLU A 30 3.337 -3.327 -9.412 1.00 0.00 C ATOM 443 OE1 GLU A 30 3.809 -4.310 -10.021 1.00 0.00 O ATOM 444 OE2 GLU A 30 3.171 -2.208 -9.941 1.00 0.00 O ATOM 0 H GLU A 30 3.627 -2.877 -4.860 1.00 0.00 H new ATOM 0 HA GLU A 30 2.866 -5.353 -6.111 1.00 0.00 H new ATOM 0 HB2 GLU A 30 4.638 -3.001 -6.748 1.00 0.00 H new ATOM 0 HB3 GLU A 30 4.827 -4.477 -7.675 1.00 0.00 H new ATOM 0 HG2 GLU A 30 2.166 -4.257 -7.882 1.00 0.00 H new ATOM 0 HG3 GLU A 30 2.521 -2.567 -7.586 1.00 0.00 H new ATOM 451 N GLN A 31 5.207 -5.573 -4.140 1.00 0.00 N ATOM 452 CA GLN A 31 6.296 -6.380 -3.604 1.00 0.00 C ATOM 453 C GLN A 31 5.759 -7.497 -2.714 1.00 0.00 C ATOM 454 O GLN A 31 6.365 -8.564 -2.605 1.00 0.00 O ATOM 455 CB GLN A 31 7.267 -5.503 -2.811 1.00 0.00 C ATOM 456 CG GLN A 31 8.258 -4.750 -3.684 1.00 0.00 C ATOM 457 CD GLN A 31 9.147 -3.817 -2.886 1.00 0.00 C ATOM 458 OE1 GLN A 31 10.269 -4.170 -2.522 1.00 0.00 O ATOM 459 NE2 GLN A 31 8.649 -2.617 -2.610 1.00 0.00 N ATOM 0 H GLN A 31 4.739 -4.985 -3.451 1.00 0.00 H new ATOM 0 HA GLN A 31 6.827 -6.831 -4.442 1.00 0.00 H new ATOM 0 HB2 GLN A 31 6.697 -4.785 -2.221 1.00 0.00 H new ATOM 0 HB3 GLN A 31 7.817 -6.128 -2.108 1.00 0.00 H new ATOM 0 HG2 GLN A 31 8.879 -5.466 -4.222 1.00 0.00 H new ATOM 0 HG3 GLN A 31 7.713 -4.175 -4.433 1.00 0.00 H new ATOM 0 HE21 GLN A 31 7.714 -2.367 -2.932 1.00 0.00 H new ATOM 0 HE22 GLN A 31 9.202 -1.946 -2.076 1.00 0.00 H new ATOM 468 N LEU A 32 4.619 -7.245 -2.080 1.00 0.00 N ATOM 469 CA LEU A 32 4.000 -8.229 -1.199 1.00 0.00 C ATOM 470 C LEU A 32 3.635 -9.495 -1.968 1.00 0.00 C ATOM 471 O LEU A 32 3.577 -10.584 -1.399 1.00 0.00 O ATOM 472 CB LEU A 32 2.750 -7.640 -0.542 1.00 0.00 C ATOM 473 CG LEU A 32 2.855 -6.185 -0.085 1.00 0.00 C ATOM 474 CD1 LEU A 32 1.664 -5.811 0.784 1.00 0.00 C ATOM 475 CD2 LEU A 32 4.158 -5.955 0.667 1.00 0.00 C ATOM 0 H LEU A 32 4.105 -6.368 -2.160 1.00 0.00 H new ATOM 0 HA LEU A 32 4.721 -8.491 -0.425 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.922 -7.720 -1.246 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.494 -8.254 0.322 1.00 0.00 H new ATOM 0 HG LEU A 32 2.850 -5.546 -0.968 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.756 -4.772 1.100 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.744 -5.937 0.214 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.638 -6.456 1.662 1.00 0.00 H new ATOM 0 HD21 LEU A 32 4.216 -4.914 0.985 1.00 0.00 H new ATOM 0 HD22 LEU A 32 4.193 -6.604 1.542 1.00 0.00 H new ATOM 0 HD23 LEU A 32 5.000 -6.182 0.013 1.00 0.00 H new ATOM 487 N GLY A 33 3.393 -9.344 -3.267 1.00 0.00 N ATOM 488 CA GLY A 33 3.039 -10.483 -4.093 1.00 0.00 C ATOM 489 C GLY A 33 2.706 -10.085 -5.517 1.00 0.00 C ATOM 490 O GLY A 33 2.491 -8.912 -5.822 1.00 0.00 O ATOM 0 H GLY A 33 3.436 -8.453 -3.762 1.00 0.00 H new ATOM 0 HA2 GLY A 33 3.866 -11.193 -4.101 1.00 0.00 H new ATOM 0 HA3 GLY A 33 2.184 -10.995 -3.653 1.00 0.00 H new ATOM 494 N PRO A 34 2.661 -11.078 -6.418 1.00 0.00 N ATOM 495 CA PRO A 34 2.353 -10.849 -7.833 1.00 0.00 C ATOM 496 C PRO A 34 0.897 -10.452 -8.053 1.00 0.00 C ATOM 497 O PRO A 34 0.562 -9.819 -9.054 1.00 0.00 O ATOM 498 CB PRO A 34 2.641 -12.206 -8.482 1.00 0.00 C ATOM 499 CG PRO A 34 2.467 -13.196 -7.383 1.00 0.00 C ATOM 500 CD PRO A 34 2.906 -12.500 -6.124 1.00 0.00 C ATOM 0 HA PRO A 34 2.937 -10.028 -8.250 1.00 0.00 H new ATOM 0 HB2 PRO A 34 1.955 -12.404 -9.306 1.00 0.00 H new ATOM 0 HB3 PRO A 34 3.650 -12.243 -8.892 1.00 0.00 H new ATOM 0 HG2 PRO A 34 1.428 -13.518 -7.309 1.00 0.00 H new ATOM 0 HG3 PRO A 34 3.065 -14.089 -7.564 1.00 0.00 H new ATOM 0 HD2 PRO A 34 2.334 -12.836 -5.259 1.00 0.00 H new ATOM 0 HD3 PRO A 34 3.957 -12.690 -5.905 1.00 0.00 H new ATOM 508 N TRP A 35 0.038 -10.827 -7.112 1.00 0.00 N ATOM 509 CA TRP A 35 -1.382 -10.508 -7.204 1.00 0.00 C ATOM 510 C TRP A 35 -1.618 -9.014 -7.018 1.00 0.00 C ATOM 511 O TRP A 35 -2.692 -8.502 -7.332 1.00 0.00 O ATOM 512 CB TRP A 35 -2.171 -11.296 -6.156 1.00 0.00 C ATOM 513 CG TRP A 35 -1.555 -11.250 -4.791 1.00 0.00 C ATOM 514 CD1 TRP A 35 -0.931 -12.275 -4.138 1.00 0.00 C ATOM 515 CD2 TRP A 35 -1.506 -10.122 -3.910 1.00 0.00 C ATOM 516 NE1 TRP A 35 -0.497 -11.852 -2.905 1.00 0.00 N ATOM 517 CE2 TRP A 35 -0.836 -10.535 -2.741 1.00 0.00 C ATOM 518 CE3 TRP A 35 -1.959 -8.803 -3.996 1.00 0.00 C ATOM 519 CZ2 TRP A 35 -0.613 -9.675 -1.669 1.00 0.00 C ATOM 520 CZ3 TRP A 35 -1.737 -7.952 -2.931 1.00 0.00 C ATOM 521 CH2 TRP A 35 -1.068 -8.390 -1.780 1.00 0.00 C ATOM 0 H TRP A 35 0.300 -11.352 -6.277 1.00 0.00 H new ATOM 0 HA TRP A 35 -1.729 -10.790 -8.198 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -3.185 -10.901 -6.103 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -2.250 -12.335 -6.476 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -0.798 -13.271 -4.533 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -0.002 -12.426 -2.222 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -2.474 -8.455 -4.880 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -0.099 -10.011 -0.781 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -2.085 -6.931 -2.986 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -0.909 -7.700 -0.965 1.00 0.00 H new ATOM 532 N ALA A 36 -0.608 -8.319 -6.506 1.00 0.00 N ATOM 533 CA ALA A 36 -0.705 -6.882 -6.281 1.00 0.00 C ATOM 534 C ALA A 36 -1.052 -6.146 -7.571 1.00 0.00 C ATOM 535 O ALA A 36 -1.851 -5.210 -7.567 1.00 0.00 O ATOM 536 CB ALA A 36 0.597 -6.349 -5.701 1.00 0.00 C ATOM 0 H ALA A 36 0.287 -8.728 -6.239 1.00 0.00 H new ATOM 0 HA ALA A 36 -1.508 -6.705 -5.565 1.00 0.00 H new ATOM 0 HB1 ALA A 36 0.510 -5.275 -5.538 1.00 0.00 H new ATOM 0 HB2 ALA A 36 0.802 -6.844 -4.752 1.00 0.00 H new ATOM 0 HB3 ALA A 36 1.413 -6.546 -6.397 1.00 0.00 H new ATOM 542 N SER A 37 -0.446 -6.576 -8.673 1.00 0.00 N ATOM 543 CA SER A 37 -0.687 -5.955 -9.970 1.00 0.00 C ATOM 544 C SER A 37 -2.161 -6.049 -10.351 1.00 0.00 C ATOM 545 O SER A 37 -2.623 -5.364 -11.265 1.00 0.00 O ATOM 546 CB SER A 37 0.173 -6.621 -11.046 1.00 0.00 C ATOM 547 OG SER A 37 -0.385 -6.431 -12.335 1.00 0.00 O ATOM 0 H SER A 37 0.216 -7.352 -8.694 1.00 0.00 H new ATOM 0 HA SER A 37 -0.414 -4.902 -9.898 1.00 0.00 H new ATOM 0 HB2 SER A 37 1.181 -6.207 -11.018 1.00 0.00 H new ATOM 0 HB3 SER A 37 0.260 -7.687 -10.838 1.00 0.00 H new ATOM 0 HG SER A 37 0.184 -6.865 -13.005 1.00 0.00 H new ATOM 553 N LEU A 38 -2.895 -6.901 -9.644 1.00 0.00 N ATOM 554 CA LEU A 38 -4.318 -7.086 -9.907 1.00 0.00 C ATOM 555 C LEU A 38 -5.146 -6.016 -9.201 1.00 0.00 C ATOM 556 O LEU A 38 -6.340 -5.868 -9.463 1.00 0.00 O ATOM 557 CB LEU A 38 -4.765 -8.476 -9.451 1.00 0.00 C ATOM 558 CG LEU A 38 -4.033 -9.658 -10.087 1.00 0.00 C ATOM 559 CD1 LEU A 38 -4.345 -10.944 -9.338 1.00 0.00 C ATOM 560 CD2 LEU A 38 -4.410 -9.790 -11.556 1.00 0.00 C ATOM 0 H LEU A 38 -2.529 -7.475 -8.884 1.00 0.00 H new ATOM 0 HA LEU A 38 -4.479 -6.994 -10.981 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -4.643 -8.538 -8.370 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -5.830 -8.580 -9.659 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.961 -9.475 -10.022 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -3.815 -11.775 -9.805 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -4.026 -10.847 -8.300 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.418 -11.133 -9.371 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.880 -10.636 -11.993 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -5.485 -9.951 -11.643 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -4.136 -8.878 -12.085 1.00 0.00 H new ATOM 572 N TYR A 39 -4.503 -5.273 -8.307 1.00 0.00 N ATOM 573 CA TYR A 39 -5.180 -4.217 -7.563 1.00 0.00 C ATOM 574 C TYR A 39 -4.537 -2.861 -7.837 1.00 0.00 C ATOM 575 O TYR A 39 -5.215 -1.833 -7.861 1.00 0.00 O ATOM 576 CB TYR A 39 -5.145 -4.518 -6.064 1.00 0.00 C ATOM 577 CG TYR A 39 -5.674 -5.889 -5.709 1.00 0.00 C ATOM 578 CD1 TYR A 39 -4.875 -7.019 -5.842 1.00 0.00 C ATOM 579 CD2 TYR A 39 -6.971 -6.056 -5.242 1.00 0.00 C ATOM 580 CE1 TYR A 39 -5.354 -8.274 -5.520 1.00 0.00 C ATOM 581 CE2 TYR A 39 -7.458 -7.307 -4.916 1.00 0.00 C ATOM 582 CZ TYR A 39 -6.646 -8.413 -5.057 1.00 0.00 C ATOM 583 OH TYR A 39 -7.127 -9.661 -4.734 1.00 0.00 O ATOM 0 H TYR A 39 -3.515 -5.382 -8.080 1.00 0.00 H new ATOM 0 HA TYR A 39 -6.218 -4.180 -7.895 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -4.118 -4.431 -5.708 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -5.730 -3.764 -5.537 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -3.863 -6.914 -6.203 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -7.610 -5.193 -5.132 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -4.720 -9.142 -5.630 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -8.469 -7.418 -4.553 1.00 0.00 H new ATOM 0 HH TYR A 39 -8.053 -9.584 -4.423 1.00 0.00 H new ATOM 593 N ARG A 40 -3.224 -2.866 -8.042 1.00 0.00 N ATOM 594 CA ARG A 40 -2.488 -1.637 -8.313 1.00 0.00 C ATOM 595 C ARG A 40 -3.318 -0.683 -9.165 1.00 0.00 C ATOM 596 O ARG A 40 -3.338 0.524 -8.923 1.00 0.00 O ATOM 597 CB ARG A 40 -1.169 -1.953 -9.020 1.00 0.00 C ATOM 598 CG ARG A 40 -1.336 -2.322 -10.485 1.00 0.00 C ATOM 599 CD ARG A 40 -0.008 -2.708 -11.118 1.00 0.00 C ATOM 600 NE ARG A 40 0.704 -1.547 -11.645 1.00 0.00 N ATOM 601 CZ ARG A 40 1.731 -1.633 -12.483 1.00 0.00 C ATOM 602 NH1 ARG A 40 2.163 -2.820 -12.888 1.00 0.00 N ATOM 603 NH2 ARG A 40 2.327 -0.531 -12.919 1.00 0.00 N ATOM 0 H ARG A 40 -2.648 -3.708 -8.026 1.00 0.00 H new ATOM 0 HA ARG A 40 -2.275 -1.153 -7.360 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -0.510 -1.088 -8.945 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -0.676 -2.775 -8.501 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -2.038 -3.151 -10.575 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -1.767 -1.480 -11.026 1.00 0.00 H new ATOM 0 HD2 ARG A 40 0.615 -3.210 -10.377 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -0.184 -3.422 -11.923 1.00 0.00 H new ATOM 0 HE ARG A 40 0.396 -0.619 -11.354 1.00 0.00 H new ATOM 0 HH11 ARG A 40 1.706 -3.669 -12.556 1.00 0.00 H new ATOM 0 HH12 ARG A 40 2.952 -2.883 -13.532 1.00 0.00 H new ATOM 0 HH21 ARG A 40 1.997 0.383 -12.611 1.00 0.00 H new ATOM 0 HH22 ARG A 40 3.116 -0.598 -13.562 1.00 0.00 H new ATOM 617 N ASP A 41 -4.002 -1.232 -10.163 1.00 0.00 N ATOM 618 CA ASP A 41 -4.835 -0.430 -11.052 1.00 0.00 C ATOM 619 C ASP A 41 -5.725 0.518 -10.253 1.00 0.00 C ATOM 620 O ASP A 41 -5.817 1.707 -10.561 1.00 0.00 O ATOM 621 CB ASP A 41 -5.695 -1.335 -11.935 1.00 0.00 C ATOM 622 CG ASP A 41 -5.987 -0.716 -13.287 1.00 0.00 C ATOM 623 OD1 ASP A 41 -5.040 -0.214 -13.926 1.00 0.00 O ATOM 624 OD2 ASP A 41 -7.164 -0.734 -13.707 1.00 0.00 O ATOM 0 H ASP A 41 -3.996 -2.229 -10.377 1.00 0.00 H new ATOM 0 HA ASP A 41 -4.178 0.165 -11.687 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -5.186 -2.288 -12.077 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -6.635 -1.548 -11.426 1.00 0.00 H new ATOM 629 N ARG A 42 -6.380 -0.017 -9.228 1.00 0.00 N ATOM 630 CA ARG A 42 -7.265 0.781 -8.387 1.00 0.00 C ATOM 631 C ARG A 42 -6.508 1.941 -7.748 1.00 0.00 C ATOM 632 O ARG A 42 -7.011 3.063 -7.681 1.00 0.00 O ATOM 633 CB ARG A 42 -7.894 -0.092 -7.300 1.00 0.00 C ATOM 634 CG ARG A 42 -8.562 -1.348 -7.837 1.00 0.00 C ATOM 635 CD ARG A 42 -9.371 -2.053 -6.760 1.00 0.00 C ATOM 636 NE ARG A 42 -8.516 -2.719 -5.781 1.00 0.00 N ATOM 637 CZ ARG A 42 -8.027 -2.118 -4.703 1.00 0.00 C ATOM 638 NH1 ARG A 42 -8.307 -0.844 -4.466 1.00 0.00 N ATOM 639 NH2 ARG A 42 -7.256 -2.791 -3.859 1.00 0.00 N ATOM 0 H ARG A 42 -6.315 -0.999 -8.960 1.00 0.00 H new ATOM 0 HA ARG A 42 -8.055 1.189 -9.018 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -7.123 -0.378 -6.585 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -8.632 0.497 -6.755 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -9.214 -1.087 -8.671 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -7.803 -2.027 -8.226 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -10.007 -1.328 -6.252 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -10.030 -2.787 -7.224 1.00 0.00 H new ATOM 0 HE ARG A 42 -8.282 -3.700 -5.934 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -8.899 -0.323 -5.113 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -7.930 -0.385 -3.637 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -7.038 -3.771 -4.038 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -6.881 -2.328 -3.031 1.00 0.00 H new ATOM 653 N PHE A 43 -5.296 1.663 -7.279 1.00 0.00 N ATOM 654 CA PHE A 43 -4.470 2.683 -6.644 1.00 0.00 C ATOM 655 C PHE A 43 -4.223 3.852 -7.593 1.00 0.00 C ATOM 656 O PHE A 43 -4.565 4.996 -7.289 1.00 0.00 O ATOM 657 CB PHE A 43 -3.135 2.083 -6.198 1.00 0.00 C ATOM 658 CG PHE A 43 -3.233 1.272 -4.938 1.00 0.00 C ATOM 659 CD1 PHE A 43 -4.315 0.434 -4.720 1.00 0.00 C ATOM 660 CD2 PHE A 43 -2.243 1.346 -3.971 1.00 0.00 C ATOM 661 CE1 PHE A 43 -4.409 -0.313 -3.561 1.00 0.00 C ATOM 662 CE2 PHE A 43 -2.331 0.601 -2.810 1.00 0.00 C ATOM 663 CZ PHE A 43 -3.415 -0.230 -2.606 1.00 0.00 C ATOM 0 H PHE A 43 -4.864 0.740 -7.327 1.00 0.00 H new ATOM 0 HA PHE A 43 -5.004 3.055 -5.770 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -2.744 1.453 -6.997 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -2.416 2.888 -6.047 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -5.094 0.364 -5.465 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -1.393 1.993 -4.126 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -5.259 -0.961 -3.402 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -1.553 0.669 -2.064 1.00 0.00 H new ATOM 0 HZ PHE A 43 -3.485 -0.814 -1.700 1.00 0.00 H new ATOM 673 N LEU A 44 -3.628 3.557 -8.743 1.00 0.00 N ATOM 674 CA LEU A 44 -3.334 4.583 -9.738 1.00 0.00 C ATOM 675 C LEU A 44 -4.599 5.342 -10.127 1.00 0.00 C ATOM 676 O LEU A 44 -4.667 6.564 -9.994 1.00 0.00 O ATOM 677 CB LEU A 44 -2.703 3.951 -10.980 1.00 0.00 C ATOM 678 CG LEU A 44 -1.307 3.356 -10.793 1.00 0.00 C ATOM 679 CD1 LEU A 44 -0.540 4.117 -9.723 1.00 0.00 C ATOM 680 CD2 LEU A 44 -1.400 1.879 -10.437 1.00 0.00 C ATOM 0 H LEU A 44 -3.339 2.616 -9.010 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.629 5.289 -9.299 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -3.366 3.165 -11.340 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.652 4.708 -11.763 1.00 0.00 H new ATOM 0 HG LEU A 44 -0.765 3.449 -11.734 1.00 0.00 H new ATOM 0 HD11 LEU A 44 0.451 3.679 -9.604 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.442 5.161 -10.019 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.079 4.057 -8.777 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -0.397 1.472 -10.308 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.961 1.763 -9.510 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -1.908 1.343 -11.238 1.00 0.00 H new ATOM 692 N SER A 45 -5.599 4.609 -10.606 1.00 0.00 N ATOM 693 CA SER A 45 -6.861 5.213 -11.016 1.00 0.00 C ATOM 694 C SER A 45 -7.418 6.109 -9.914 1.00 0.00 C ATOM 695 O SER A 45 -7.844 7.235 -10.171 1.00 0.00 O ATOM 696 CB SER A 45 -7.879 4.128 -11.370 1.00 0.00 C ATOM 697 OG SER A 45 -8.826 4.603 -12.311 1.00 0.00 O ATOM 0 H SER A 45 -5.560 3.596 -10.720 1.00 0.00 H new ATOM 0 HA SER A 45 -6.672 5.826 -11.898 1.00 0.00 H new ATOM 0 HB2 SER A 45 -7.362 3.259 -11.777 1.00 0.00 H new ATOM 0 HB3 SER A 45 -8.393 3.799 -10.467 1.00 0.00 H new ATOM 0 HG SER A 45 -9.464 3.890 -12.522 1.00 0.00 H new ATOM 703 N GLU A 46 -7.410 5.600 -8.686 1.00 0.00 N ATOM 704 CA GLU A 46 -7.915 6.354 -7.544 1.00 0.00 C ATOM 705 C GLU A 46 -6.824 7.242 -6.953 1.00 0.00 C ATOM 706 O GLU A 46 -6.996 7.825 -5.882 1.00 0.00 O ATOM 707 CB GLU A 46 -8.450 5.402 -6.472 1.00 0.00 C ATOM 708 CG GLU A 46 -9.761 4.734 -6.851 1.00 0.00 C ATOM 709 CD GLU A 46 -10.896 5.726 -7.015 1.00 0.00 C ATOM 710 OE1 GLU A 46 -11.031 6.294 -8.120 1.00 0.00 O ATOM 711 OE2 GLU A 46 -11.648 5.935 -6.041 1.00 0.00 O ATOM 0 H GLU A 46 -7.060 4.670 -8.456 1.00 0.00 H new ATOM 0 HA GLU A 46 -8.728 6.991 -7.893 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -7.703 4.633 -6.276 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -8.589 5.955 -5.543 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -9.628 4.183 -7.782 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -10.028 4.006 -6.085 1.00 0.00 H new ATOM 718 N ARG A 47 -5.702 7.338 -7.658 1.00 0.00 N ATOM 719 CA ARG A 47 -4.582 8.153 -7.203 1.00 0.00 C ATOM 720 C ARG A 47 -4.371 7.996 -5.699 1.00 0.00 C ATOM 721 O ARG A 47 -4.088 8.967 -4.997 1.00 0.00 O ATOM 722 CB ARG A 47 -4.822 9.625 -7.544 1.00 0.00 C ATOM 723 CG ARG A 47 -5.017 9.882 -9.029 1.00 0.00 C ATOM 724 CD ARG A 47 -3.709 9.755 -9.793 1.00 0.00 C ATOM 725 NE ARG A 47 -2.704 10.704 -9.320 1.00 0.00 N ATOM 726 CZ ARG A 47 -1.625 11.040 -10.017 1.00 0.00 C ATOM 727 NH1 ARG A 47 -1.412 10.508 -11.213 1.00 0.00 N ATOM 728 NH2 ARG A 47 -0.757 11.911 -9.519 1.00 0.00 N ATOM 0 H ARG A 47 -5.544 6.862 -8.546 1.00 0.00 H new ATOM 0 HA ARG A 47 -3.684 7.810 -7.717 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -5.702 9.975 -7.005 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -3.976 10.214 -7.190 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -5.743 9.175 -9.429 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -5.430 10.880 -9.175 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -3.326 8.740 -9.690 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -3.892 9.920 -10.855 1.00 0.00 H new ATOM 0 HE ARG A 47 -2.839 11.132 -8.404 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -2.078 9.839 -11.600 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -0.582 10.768 -11.746 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -0.918 12.323 -8.600 1.00 0.00 H new ATOM 0 HH22 ARG A 47 0.072 12.169 -10.055 1.00 0.00 H new ATOM 742 N VAL A 48 -4.510 6.767 -5.212 1.00 0.00 N ATOM 743 CA VAL A 48 -4.335 6.482 -3.793 1.00 0.00 C ATOM 744 C VAL A 48 -2.890 6.709 -3.362 1.00 0.00 C ATOM 745 O VAL A 48 -2.017 5.883 -3.623 1.00 0.00 O ATOM 746 CB VAL A 48 -4.738 5.034 -3.457 1.00 0.00 C ATOM 747 CG1 VAL A 48 -4.489 4.738 -1.986 1.00 0.00 C ATOM 748 CG2 VAL A 48 -6.195 4.790 -3.820 1.00 0.00 C ATOM 0 H VAL A 48 -4.743 5.952 -5.780 1.00 0.00 H new ATOM 0 HA VAL A 48 -4.986 7.167 -3.250 1.00 0.00 H new ATOM 0 HB VAL A 48 -4.122 4.356 -4.048 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -4.780 3.710 -1.767 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -3.431 4.871 -1.762 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -5.078 5.420 -1.373 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -6.463 3.762 -3.576 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -6.830 5.474 -3.257 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -6.337 4.959 -4.887 1.00 0.00 H new ATOM 758 N ASN A 49 -2.646 7.835 -2.700 1.00 0.00 N ATOM 759 CA ASN A 49 -1.306 8.171 -2.232 1.00 0.00 C ATOM 760 C ASN A 49 -1.014 7.501 -0.893 1.00 0.00 C ATOM 761 O ASN A 49 -1.918 6.997 -0.228 1.00 0.00 O ATOM 762 CB ASN A 49 -1.155 9.688 -2.099 1.00 0.00 C ATOM 763 CG ASN A 49 -2.079 10.271 -1.047 1.00 0.00 C ATOM 764 OD1 ASN A 49 -3.229 9.852 -0.913 1.00 0.00 O ATOM 765 ND2 ASN A 49 -1.578 11.243 -0.293 1.00 0.00 N ATOM 0 H ASN A 49 -3.358 8.530 -2.475 1.00 0.00 H new ATOM 0 HA ASN A 49 -0.589 7.804 -2.966 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -0.122 9.927 -1.844 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -1.362 10.157 -3.061 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -2.152 11.673 0.432 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -0.619 11.559 -0.439 1.00 0.00 H new ATOM 772 N GLY A 50 0.258 7.499 -0.503 1.00 0.00 N ATOM 773 CA GLY A 50 0.647 6.888 0.755 1.00 0.00 C ATOM 774 C GLY A 50 -0.258 7.294 1.901 1.00 0.00 C ATOM 775 O GLY A 50 -0.884 6.446 2.536 1.00 0.00 O ATOM 0 H GLY A 50 1.025 7.909 -1.036 1.00 0.00 H new ATOM 0 HA2 GLY A 50 0.630 5.803 0.649 1.00 0.00 H new ATOM 0 HA3 GLY A 50 1.674 7.169 0.990 1.00 0.00 H new ATOM 779 N ARG A 51 -0.326 8.594 2.167 1.00 0.00 N ATOM 780 CA ARG A 51 -1.159 9.110 3.247 1.00 0.00 C ATOM 781 C ARG A 51 -2.508 8.398 3.281 1.00 0.00 C ATOM 782 O ARG A 51 -2.920 7.874 4.317 1.00 0.00 O ATOM 783 CB ARG A 51 -1.369 10.617 3.082 1.00 0.00 C ATOM 784 CG ARG A 51 -1.955 11.288 4.313 1.00 0.00 C ATOM 785 CD ARG A 51 -3.409 10.894 4.524 1.00 0.00 C ATOM 786 NE ARG A 51 -4.175 11.955 5.173 1.00 0.00 N ATOM 787 CZ ARG A 51 -4.635 13.025 4.534 1.00 0.00 C ATOM 788 NH1 ARG A 51 -4.408 13.175 3.236 1.00 0.00 N ATOM 789 NH2 ARG A 51 -5.325 13.947 5.193 1.00 0.00 N ATOM 0 H ARG A 51 0.185 9.309 1.650 1.00 0.00 H new ATOM 0 HA ARG A 51 -0.645 8.923 4.190 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -0.414 11.085 2.844 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -2.030 10.792 2.233 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -1.371 11.013 5.191 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -1.882 12.370 4.208 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -3.863 10.655 3.562 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -3.455 9.990 5.131 1.00 0.00 H new ATOM 0 HE ARG A 51 -4.367 11.870 6.171 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -3.879 12.468 2.726 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -4.762 13.998 2.748 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -5.503 13.835 6.191 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -5.678 14.768 4.702 1.00 0.00 H new ATOM 803 N LEU A 52 -3.192 8.384 2.142 1.00 0.00 N ATOM 804 CA LEU A 52 -4.496 7.736 2.041 1.00 0.00 C ATOM 805 C LEU A 52 -4.393 6.250 2.369 1.00 0.00 C ATOM 806 O LEU A 52 -5.271 5.686 3.022 1.00 0.00 O ATOM 807 CB LEU A 52 -5.071 7.921 0.636 1.00 0.00 C ATOM 808 CG LEU A 52 -6.434 7.277 0.378 1.00 0.00 C ATOM 809 CD1 LEU A 52 -7.516 7.979 1.183 1.00 0.00 C ATOM 810 CD2 LEU A 52 -6.766 7.308 -1.106 1.00 0.00 C ATOM 0 H LEU A 52 -2.866 8.813 1.276 1.00 0.00 H new ATOM 0 HA LEU A 52 -5.164 8.203 2.765 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -5.153 8.989 0.436 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -4.358 7.516 -0.083 1.00 0.00 H new ATOM 0 HG LEU A 52 -6.389 6.236 0.698 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -8.479 7.508 0.987 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -7.285 7.904 2.246 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -7.561 9.029 0.894 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -7.739 6.846 -1.271 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -6.792 8.341 -1.451 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -6.005 6.759 -1.661 1.00 0.00 H new ATOM 822 N LEU A 53 -3.314 5.623 1.915 1.00 0.00 N ATOM 823 CA LEU A 53 -3.094 4.202 2.163 1.00 0.00 C ATOM 824 C LEU A 53 -3.107 3.901 3.658 1.00 0.00 C ATOM 825 O LEU A 53 -3.585 2.850 4.086 1.00 0.00 O ATOM 826 CB LEU A 53 -1.763 3.758 1.553 1.00 0.00 C ATOM 827 CG LEU A 53 -1.512 2.250 1.514 1.00 0.00 C ATOM 828 CD1 LEU A 53 -2.458 1.577 0.532 1.00 0.00 C ATOM 829 CD2 LEU A 53 -0.064 1.959 1.148 1.00 0.00 C ATOM 0 H LEU A 53 -2.578 6.076 1.373 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.906 3.647 1.693 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -1.707 4.142 0.534 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.955 4.226 2.115 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.703 1.844 2.507 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -2.265 0.504 0.518 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -3.489 1.756 0.839 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.300 1.988 -0.465 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.096 0.881 1.125 1.00 0.00 H new ATOM 0 HD22 LEU A 53 0.155 2.379 0.166 1.00 0.00 H new ATOM 0 HD23 LEU A 53 0.596 2.408 1.890 1.00 0.00 H new ATOM 841 N LEU A 54 -2.582 4.831 4.448 1.00 0.00 N ATOM 842 CA LEU A 54 -2.535 4.667 5.896 1.00 0.00 C ATOM 843 C LEU A 54 -3.935 4.734 6.497 1.00 0.00 C ATOM 844 O LEU A 54 -4.363 3.824 7.208 1.00 0.00 O ATOM 845 CB LEU A 54 -1.647 5.743 6.523 1.00 0.00 C ATOM 846 CG LEU A 54 -0.139 5.551 6.354 1.00 0.00 C ATOM 847 CD1 LEU A 54 0.591 6.872 6.540 1.00 0.00 C ATOM 848 CD2 LEU A 54 0.379 4.510 7.336 1.00 0.00 C ATOM 0 H LEU A 54 -2.183 5.707 4.110 1.00 0.00 H new ATOM 0 HA LEU A 54 -2.113 3.685 6.112 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -1.921 6.707 6.094 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.869 5.794 7.589 1.00 0.00 H new ATOM 0 HG LEU A 54 0.052 5.193 5.342 1.00 0.00 H new ATOM 0 HD11 LEU A 54 1.663 6.716 6.416 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.241 7.589 5.798 1.00 0.00 H new ATOM 0 HD13 LEU A 54 0.394 7.259 7.540 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.454 4.386 7.202 1.00 0.00 H new ATOM 0 HD22 LEU A 54 0.176 4.839 8.355 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.121 3.559 7.155 1.00 0.00 H new ATOM 860 N THR A 55 -4.648 5.818 6.206 1.00 0.00 N ATOM 861 CA THR A 55 -6.000 6.004 6.716 1.00 0.00 C ATOM 862 C THR A 55 -6.869 4.786 6.427 1.00 0.00 C ATOM 863 O THR A 55 -7.760 4.446 7.207 1.00 0.00 O ATOM 864 CB THR A 55 -6.665 7.252 6.103 1.00 0.00 C ATOM 865 OG1 THR A 55 -6.901 7.045 4.706 1.00 0.00 O ATOM 866 CG2 THR A 55 -5.791 8.481 6.299 1.00 0.00 C ATOM 0 H THR A 55 -4.310 6.581 5.619 1.00 0.00 H new ATOM 0 HA THR A 55 -5.915 6.139 7.794 1.00 0.00 H new ATOM 0 HB THR A 55 -7.616 7.417 6.610 1.00 0.00 H new ATOM 0 HG1 THR A 55 -6.121 6.610 4.303 1.00 0.00 H new ATOM 0 HG21 THR A 55 -6.280 9.350 5.858 1.00 0.00 H new ATOM 0 HG22 THR A 55 -5.638 8.652 7.364 1.00 0.00 H new ATOM 0 HG23 THR A 55 -4.827 8.323 5.815 1.00 0.00 H new ATOM 874 N LEU A 56 -6.606 4.131 5.302 1.00 0.00 N ATOM 875 CA LEU A 56 -7.364 2.948 4.909 1.00 0.00 C ATOM 876 C LEU A 56 -7.217 1.838 5.946 1.00 0.00 C ATOM 877 O LEU A 56 -6.105 1.487 6.342 1.00 0.00 O ATOM 878 CB LEU A 56 -6.897 2.448 3.541 1.00 0.00 C ATOM 879 CG LEU A 56 -7.232 3.345 2.349 1.00 0.00 C ATOM 880 CD1 LEU A 56 -6.428 2.931 1.127 1.00 0.00 C ATOM 881 CD2 LEU A 56 -8.724 3.298 2.049 1.00 0.00 C ATOM 0 H LEU A 56 -5.873 4.399 4.645 1.00 0.00 H new ATOM 0 HA LEU A 56 -8.416 3.226 4.847 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -5.816 2.312 3.576 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -7.336 1.466 3.366 1.00 0.00 H new ATOM 0 HG LEU A 56 -6.965 4.371 2.604 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -6.680 3.581 0.289 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -5.364 3.017 1.346 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -6.663 1.898 0.869 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -8.944 3.942 1.198 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -9.016 2.274 1.815 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -9.281 3.644 2.920 1.00 0.00 H new ATOM 893 N THR A 57 -8.346 1.288 6.381 1.00 0.00 N ATOM 894 CA THR A 57 -8.344 0.218 7.370 1.00 0.00 C ATOM 895 C THR A 57 -9.040 -1.028 6.834 1.00 0.00 C ATOM 896 O THR A 57 -9.724 -0.976 5.813 1.00 0.00 O ATOM 897 CB THR A 57 -9.035 0.657 8.675 1.00 0.00 C ATOM 898 OG1 THR A 57 -10.404 0.989 8.417 1.00 0.00 O ATOM 899 CG2 THR A 57 -8.324 1.855 9.287 1.00 0.00 C ATOM 0 H THR A 57 -9.274 1.566 6.063 1.00 0.00 H new ATOM 0 HA THR A 57 -7.300 -0.015 7.581 1.00 0.00 H new ATOM 0 HB THR A 57 -8.990 -0.172 9.381 1.00 0.00 H new ATOM 0 HG1 THR A 57 -10.837 1.265 9.252 1.00 0.00 H new ATOM 0 HG21 THR A 57 -8.830 2.147 10.207 1.00 0.00 H new ATOM 0 HG22 THR A 57 -7.290 1.590 9.509 1.00 0.00 H new ATOM 0 HG23 THR A 57 -8.342 2.687 8.583 1.00 0.00 H new ATOM 907 N GLU A 58 -8.861 -2.146 7.531 1.00 0.00 N ATOM 908 CA GLU A 58 -9.473 -3.405 7.124 1.00 0.00 C ATOM 909 C GLU A 58 -10.885 -3.177 6.590 1.00 0.00 C ATOM 910 O GLU A 58 -11.384 -3.952 5.775 1.00 0.00 O ATOM 911 CB GLU A 58 -9.513 -4.383 8.300 1.00 0.00 C ATOM 912 CG GLU A 58 -10.328 -5.635 8.024 1.00 0.00 C ATOM 913 CD GLU A 58 -10.787 -6.324 9.294 1.00 0.00 C ATOM 914 OE1 GLU A 58 -11.541 -5.699 10.069 1.00 0.00 O ATOM 915 OE2 GLU A 58 -10.393 -7.488 9.513 1.00 0.00 O ATOM 0 H GLU A 58 -8.298 -2.205 8.379 1.00 0.00 H new ATOM 0 HA GLU A 58 -8.866 -3.832 6.326 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -8.494 -4.672 8.556 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -9.928 -3.874 9.170 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -11.198 -5.372 7.423 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -9.731 -6.330 7.434 1.00 0.00 H new ATOM 922 N GLU A 59 -11.521 -2.108 7.057 1.00 0.00 N ATOM 923 CA GLU A 59 -12.876 -1.778 6.629 1.00 0.00 C ATOM 924 C GLU A 59 -12.858 -1.019 5.305 1.00 0.00 C ATOM 925 O GLU A 59 -13.320 -1.525 4.282 1.00 0.00 O ATOM 926 CB GLU A 59 -13.584 -0.943 7.698 1.00 0.00 C ATOM 927 CG GLU A 59 -14.542 0.089 7.128 1.00 0.00 C ATOM 928 CD GLU A 59 -15.648 0.456 8.098 1.00 0.00 C ATOM 929 OE1 GLU A 59 -15.394 1.279 9.002 1.00 0.00 O ATOM 930 OE2 GLU A 59 -16.767 -0.079 7.953 1.00 0.00 O ATOM 0 H GLU A 59 -11.121 -1.456 7.731 1.00 0.00 H new ATOM 0 HA GLU A 59 -13.422 -2.711 6.487 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -14.134 -1.609 8.362 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -12.835 -0.435 8.305 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -13.986 0.987 6.860 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -14.983 -0.298 6.209 1.00 0.00 H new ATOM 937 N GLU A 60 -12.321 0.197 5.333 1.00 0.00 N ATOM 938 CA GLU A 60 -12.244 1.025 4.136 1.00 0.00 C ATOM 939 C GLU A 60 -11.838 0.193 2.923 1.00 0.00 C ATOM 940 O GLU A 60 -12.374 0.367 1.829 1.00 0.00 O ATOM 941 CB GLU A 60 -11.247 2.167 4.342 1.00 0.00 C ATOM 942 CG GLU A 60 -11.365 2.841 5.699 1.00 0.00 C ATOM 943 CD GLU A 60 -10.612 4.156 5.765 1.00 0.00 C ATOM 944 OE1 GLU A 60 -10.505 4.831 4.719 1.00 0.00 O ATOM 945 OE2 GLU A 60 -10.129 4.509 6.860 1.00 0.00 O ATOM 0 H GLU A 60 -11.933 0.630 6.171 1.00 0.00 H new ATOM 0 HA GLU A 60 -13.233 1.445 3.952 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -10.235 1.780 4.225 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -11.395 2.913 3.561 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -12.417 3.018 5.923 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -10.984 2.169 6.468 1.00 0.00 H new ATOM 952 N PHE A 61 -10.886 -0.711 3.126 1.00 0.00 N ATOM 953 CA PHE A 61 -10.405 -1.570 2.050 1.00 0.00 C ATOM 954 C PHE A 61 -11.523 -2.469 1.531 1.00 0.00 C ATOM 955 O PHE A 61 -11.625 -2.722 0.331 1.00 0.00 O ATOM 956 CB PHE A 61 -9.232 -2.425 2.536 1.00 0.00 C ATOM 957 CG PHE A 61 -7.975 -1.638 2.773 1.00 0.00 C ATOM 958 CD1 PHE A 61 -7.330 -1.005 1.723 1.00 0.00 C ATOM 959 CD2 PHE A 61 -7.439 -1.532 4.046 1.00 0.00 C ATOM 960 CE1 PHE A 61 -6.173 -0.280 1.938 1.00 0.00 C ATOM 961 CE2 PHE A 61 -6.282 -0.808 4.267 1.00 0.00 C ATOM 962 CZ PHE A 61 -5.648 -0.182 3.212 1.00 0.00 C ATOM 0 H PHE A 61 -10.432 -0.868 4.026 1.00 0.00 H new ATOM 0 HA PHE A 61 -10.067 -0.932 1.234 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -9.517 -2.927 3.461 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -9.031 -3.203 1.800 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -7.736 -1.079 0.725 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -7.930 -2.020 4.875 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -5.680 0.209 1.111 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -5.874 -0.732 5.264 1.00 0.00 H new ATOM 0 HZ PHE A 61 -4.744 0.383 3.383 1.00 0.00 H new ATOM 972 N SER A 62 -12.360 -2.950 2.445 1.00 0.00 N ATOM 973 CA SER A 62 -13.469 -3.825 2.082 1.00 0.00 C ATOM 974 C SER A 62 -14.620 -3.022 1.483 1.00 0.00 C ATOM 975 O SER A 62 -15.684 -3.567 1.189 1.00 0.00 O ATOM 976 CB SER A 62 -13.956 -4.601 3.306 1.00 0.00 C ATOM 977 OG SER A 62 -14.995 -3.904 3.972 1.00 0.00 O ATOM 0 H SER A 62 -12.291 -2.748 3.443 1.00 0.00 H new ATOM 0 HA SER A 62 -13.112 -4.531 1.332 1.00 0.00 H new ATOM 0 HB2 SER A 62 -14.312 -5.584 2.999 1.00 0.00 H new ATOM 0 HB3 SER A 62 -13.125 -4.763 3.992 1.00 0.00 H new ATOM 0 HG SER A 62 -14.685 -3.006 4.212 1.00 0.00 H new ATOM 983 N ARG A 63 -14.399 -1.724 1.306 1.00 0.00 N ATOM 984 CA ARG A 63 -15.418 -0.844 0.745 1.00 0.00 C ATOM 985 C ARG A 63 -15.002 -0.343 -0.635 1.00 0.00 C ATOM 986 O ARG A 63 -13.815 -0.171 -0.912 1.00 0.00 O ATOM 987 CB ARG A 63 -15.668 0.342 1.677 1.00 0.00 C ATOM 988 CG ARG A 63 -16.147 -0.061 3.062 1.00 0.00 C ATOM 989 CD ARG A 63 -17.520 -0.713 3.008 1.00 0.00 C ATOM 990 NE ARG A 63 -18.527 0.178 2.436 1.00 0.00 N ATOM 991 CZ ARG A 63 -19.828 0.066 2.676 1.00 0.00 C ATOM 992 NH1 ARG A 63 -20.279 -0.892 3.473 1.00 0.00 N ATOM 993 NH2 ARG A 63 -20.682 0.915 2.118 1.00 0.00 N ATOM 0 H ARG A 63 -13.523 -1.258 1.543 1.00 0.00 H new ATOM 0 HA ARG A 63 -16.340 -1.416 0.642 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -14.747 0.917 1.774 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -16.409 1.000 1.223 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -15.432 -0.752 3.509 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -16.185 0.818 3.705 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -17.465 -1.626 2.415 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -17.823 -1.004 4.014 1.00 0.00 H new ATOM 0 HE ARG A 63 -18.213 0.927 1.819 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -19.626 -1.546 3.904 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -21.279 -0.975 3.655 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -20.339 1.654 1.504 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -21.681 0.828 2.303 1.00 0.00 H new ATOM 1007 N ALA A 64 -15.987 -0.110 -1.496 1.00 0.00 N ATOM 1008 CA ALA A 64 -15.723 0.374 -2.846 1.00 0.00 C ATOM 1009 C ALA A 64 -15.059 1.746 -2.817 1.00 0.00 C ATOM 1010 O ALA A 64 -15.129 2.476 -1.828 1.00 0.00 O ATOM 1011 CB ALA A 64 -17.015 0.427 -3.649 1.00 0.00 C ATOM 0 H ALA A 64 -16.975 -0.248 -1.283 1.00 0.00 H new ATOM 0 HA ALA A 64 -15.037 -0.322 -3.328 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -16.804 0.790 -4.655 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -17.448 -0.571 -3.707 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -17.719 1.100 -3.161 1.00 0.00 H new ATOM 1017 N PRO A 65 -14.397 2.107 -3.927 1.00 0.00 N ATOM 1018 CA PRO A 65 -14.307 1.246 -5.110 1.00 0.00 C ATOM 1019 C PRO A 65 -13.432 0.020 -4.869 1.00 0.00 C ATOM 1020 O PRO A 65 -13.634 -1.028 -5.483 1.00 0.00 O ATOM 1021 CB PRO A 65 -13.672 2.157 -6.164 1.00 0.00 C ATOM 1022 CG PRO A 65 -12.908 3.168 -5.380 1.00 0.00 C ATOM 1023 CD PRO A 65 -13.686 3.383 -4.112 1.00 0.00 C ATOM 0 HA PRO A 65 -15.280 0.849 -5.400 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -13.017 1.595 -6.830 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -14.431 2.630 -6.787 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -11.900 2.814 -5.164 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -12.806 4.099 -5.938 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -13.029 3.603 -3.270 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -14.379 4.220 -4.203 1.00 0.00 H new ATOM 1031 N TYR A 66 -12.461 0.159 -3.973 1.00 0.00 N ATOM 1032 CA TYR A 66 -11.555 -0.937 -3.653 1.00 0.00 C ATOM 1033 C TYR A 66 -12.325 -2.235 -3.432 1.00 0.00 C ATOM 1034 O TYR A 66 -11.933 -3.296 -3.920 1.00 0.00 O ATOM 1035 CB TYR A 66 -10.733 -0.600 -2.407 1.00 0.00 C ATOM 1036 CG TYR A 66 -10.310 0.849 -2.335 1.00 0.00 C ATOM 1037 CD1 TYR A 66 -9.962 1.550 -3.483 1.00 0.00 C ATOM 1038 CD2 TYR A 66 -10.258 1.518 -1.118 1.00 0.00 C ATOM 1039 CE1 TYR A 66 -9.574 2.874 -3.422 1.00 0.00 C ATOM 1040 CE2 TYR A 66 -9.872 2.843 -1.048 1.00 0.00 C ATOM 1041 CZ TYR A 66 -9.531 3.517 -2.202 1.00 0.00 C ATOM 1042 OH TYR A 66 -9.145 4.836 -2.136 1.00 0.00 O ATOM 0 H TYR A 66 -12.281 1.020 -3.456 1.00 0.00 H new ATOM 0 HA TYR A 66 -10.881 -1.076 -4.499 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -11.317 -0.844 -1.520 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -9.844 -1.231 -2.387 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -9.996 1.051 -4.440 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -10.524 0.994 -0.212 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -9.306 3.403 -4.324 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -9.838 3.348 -0.094 1.00 0.00 H new ATOM 0 HH TYR A 66 -9.170 5.138 -1.204 1.00 0.00 H new ATOM 1052 N THR A 67 -13.427 -2.143 -2.693 1.00 0.00 N ATOM 1053 CA THR A 67 -14.254 -3.308 -2.406 1.00 0.00 C ATOM 1054 C THR A 67 -13.420 -4.584 -2.391 1.00 0.00 C ATOM 1055 O THR A 67 -13.838 -5.616 -2.918 1.00 0.00 O ATOM 1056 CB THR A 67 -15.387 -3.461 -3.438 1.00 0.00 C ATOM 1057 OG1 THR A 67 -16.353 -4.408 -2.969 1.00 0.00 O ATOM 1058 CG2 THR A 67 -14.837 -3.913 -4.782 1.00 0.00 C ATOM 0 H THR A 67 -13.767 -1.273 -2.283 1.00 0.00 H new ATOM 0 HA THR A 67 -14.690 -3.150 -1.420 1.00 0.00 H new ATOM 0 HB THR A 67 -15.865 -2.490 -3.567 1.00 0.00 H new ATOM 0 HG1 THR A 67 -15.921 -5.277 -2.836 1.00 0.00 H new ATOM 0 HG21 THR A 67 -15.656 -4.014 -5.495 1.00 0.00 H new ATOM 0 HG22 THR A 67 -14.124 -3.175 -5.150 1.00 0.00 H new ATOM 0 HG23 THR A 67 -14.336 -4.874 -4.666 1.00 0.00 H new ATOM 1066 N ILE A 68 -12.240 -4.508 -1.785 1.00 0.00 N ATOM 1067 CA ILE A 68 -11.349 -5.658 -1.701 1.00 0.00 C ATOM 1068 C ILE A 68 -12.066 -6.867 -1.110 1.00 0.00 C ATOM 1069 O ILE A 68 -12.096 -7.049 0.107 1.00 0.00 O ATOM 1070 CB ILE A 68 -10.105 -5.346 -0.848 1.00 0.00 C ATOM 1071 CG1 ILE A 68 -9.302 -4.205 -1.478 1.00 0.00 C ATOM 1072 CG2 ILE A 68 -9.241 -6.588 -0.696 1.00 0.00 C ATOM 1073 CD1 ILE A 68 -7.957 -3.980 -0.823 1.00 0.00 C ATOM 0 H ILE A 68 -11.879 -3.662 -1.345 1.00 0.00 H new ATOM 0 HA ILE A 68 -11.033 -5.887 -2.719 1.00 0.00 H new ATOM 0 HB ILE A 68 -10.432 -5.032 0.143 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -9.151 -4.419 -2.536 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -9.884 -3.286 -1.419 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -8.366 -6.351 -0.091 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -9.817 -7.375 -0.209 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -8.920 -6.930 -1.680 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -7.443 -3.157 -1.320 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -8.101 -3.735 0.229 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -7.356 -4.886 -0.905 1.00 0.00 H new ATOM 1085 N GLU A 69 -12.641 -7.691 -1.980 1.00 0.00 N ATOM 1086 CA GLU A 69 -13.358 -8.884 -1.543 1.00 0.00 C ATOM 1087 C GLU A 69 -12.401 -10.060 -1.371 1.00 0.00 C ATOM 1088 O GLU A 69 -12.694 -11.179 -1.791 1.00 0.00 O ATOM 1089 CB GLU A 69 -14.453 -9.245 -2.548 1.00 0.00 C ATOM 1090 CG GLU A 69 -15.391 -8.093 -2.867 1.00 0.00 C ATOM 1091 CD GLU A 69 -16.770 -8.563 -3.287 1.00 0.00 C ATOM 1092 OE1 GLU A 69 -16.855 -9.429 -4.182 1.00 0.00 O ATOM 1093 OE2 GLU A 69 -17.764 -8.064 -2.720 1.00 0.00 O ATOM 0 H GLU A 69 -12.625 -7.555 -2.991 1.00 0.00 H new ATOM 0 HA GLU A 69 -13.818 -8.668 -0.579 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -13.987 -9.590 -3.471 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -15.035 -10.078 -2.154 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -15.481 -7.450 -1.992 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -14.959 -7.488 -3.664 1.00 0.00 H new ATOM 1100 N ASN A 70 -11.255 -9.798 -0.750 1.00 0.00 N ATOM 1101 CA ASN A 70 -10.255 -10.835 -0.523 1.00 0.00 C ATOM 1102 C ASN A 70 -9.480 -10.570 0.764 1.00 0.00 C ATOM 1103 O ASN A 70 -8.674 -9.643 0.837 1.00 0.00 O ATOM 1104 CB ASN A 70 -9.288 -10.907 -1.707 1.00 0.00 C ATOM 1105 CG ASN A 70 -8.435 -12.161 -1.682 1.00 0.00 C ATOM 1106 OD1 ASN A 70 -8.882 -13.220 -1.239 1.00 0.00 O ATOM 1107 ND2 ASN A 70 -7.201 -12.047 -2.157 1.00 0.00 N ATOM 0 H ASN A 70 -10.996 -8.877 -0.395 1.00 0.00 H new ATOM 0 HA ASN A 70 -10.772 -11.789 -0.425 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -9.855 -10.875 -2.638 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -8.640 -10.030 -1.698 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -6.581 -12.857 -2.165 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -6.873 -11.150 -2.514 1.00 0.00 H new ATOM 1114 N SER A 71 -9.730 -11.393 1.778 1.00 0.00 N ATOM 1115 CA SER A 71 -9.059 -11.246 3.065 1.00 0.00 C ATOM 1116 C SER A 71 -7.545 -11.197 2.885 1.00 0.00 C ATOM 1117 O SER A 71 -6.899 -10.209 3.234 1.00 0.00 O ATOM 1118 CB SER A 71 -9.437 -12.401 3.995 1.00 0.00 C ATOM 1119 OG SER A 71 -10.789 -12.303 4.406 1.00 0.00 O ATOM 0 H SER A 71 -10.392 -12.168 1.733 1.00 0.00 H new ATOM 0 HA SER A 71 -9.385 -10.307 3.513 1.00 0.00 H new ATOM 0 HB2 SER A 71 -9.277 -13.351 3.484 1.00 0.00 H new ATOM 0 HB3 SER A 71 -8.786 -12.396 4.870 1.00 0.00 H new ATOM 0 HG SER A 71 -11.006 -13.053 4.998 1.00 0.00 H new ATOM 1125 N SER A 72 -6.985 -12.271 2.337 1.00 0.00 N ATOM 1126 CA SER A 72 -5.547 -12.354 2.114 1.00 0.00 C ATOM 1127 C SER A 72 -4.978 -10.992 1.727 1.00 0.00 C ATOM 1128 O SER A 72 -3.978 -10.541 2.287 1.00 0.00 O ATOM 1129 CB SER A 72 -5.237 -13.378 1.021 1.00 0.00 C ATOM 1130 OG SER A 72 -3.849 -13.663 0.967 1.00 0.00 O ATOM 0 H SER A 72 -7.506 -13.096 2.039 1.00 0.00 H new ATOM 0 HA SER A 72 -5.078 -12.674 3.045 1.00 0.00 H new ATOM 0 HB2 SER A 72 -5.793 -14.296 1.211 1.00 0.00 H new ATOM 0 HB3 SER A 72 -5.571 -12.997 0.056 1.00 0.00 H new ATOM 0 HG SER A 72 -3.677 -14.321 0.261 1.00 0.00 H new ATOM 1136 N HIS A 73 -5.623 -10.341 0.764 1.00 0.00 N ATOM 1137 CA HIS A 73 -5.183 -9.030 0.300 1.00 0.00 C ATOM 1138 C HIS A 73 -5.070 -8.052 1.465 1.00 0.00 C ATOM 1139 O HIS A 73 -4.040 -7.401 1.644 1.00 0.00 O ATOM 1140 CB HIS A 73 -6.155 -8.483 -0.747 1.00 0.00 C ATOM 1141 CG HIS A 73 -5.519 -7.534 -1.715 1.00 0.00 C ATOM 1142 ND1 HIS A 73 -5.892 -6.211 -1.826 1.00 0.00 N ATOM 1143 CD2 HIS A 73 -4.529 -7.722 -2.619 1.00 0.00 C ATOM 1144 CE1 HIS A 73 -5.160 -5.626 -2.758 1.00 0.00 C ATOM 1145 NE2 HIS A 73 -4.325 -6.521 -3.254 1.00 0.00 N ATOM 0 H HIS A 73 -6.452 -10.700 0.290 1.00 0.00 H new ATOM 0 HA HIS A 73 -4.198 -9.144 -0.154 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -6.588 -9.317 -1.299 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -6.976 -7.976 -0.239 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -3.999 -8.644 -2.806 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -5.232 -4.592 -3.062 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -3.640 -6.348 -3.989 1.00 0.00 H new ATOM 1154 N ARG A 74 -6.134 -7.952 2.255 1.00 0.00 N ATOM 1155 CA ARG A 74 -6.154 -7.052 3.401 1.00 0.00 C ATOM 1156 C ARG A 74 -5.112 -7.467 4.436 1.00 0.00 C ATOM 1157 O ARG A 74 -4.352 -6.636 4.934 1.00 0.00 O ATOM 1158 CB ARG A 74 -7.544 -7.035 4.040 1.00 0.00 C ATOM 1159 CG ARG A 74 -8.567 -6.235 3.251 1.00 0.00 C ATOM 1160 CD ARG A 74 -9.706 -5.757 4.138 1.00 0.00 C ATOM 1161 NE ARG A 74 -10.513 -6.867 4.637 1.00 0.00 N ATOM 1162 CZ ARG A 74 -11.299 -7.610 3.864 1.00 0.00 C ATOM 1163 NH1 ARG A 74 -11.383 -7.361 2.565 1.00 0.00 N ATOM 1164 NH2 ARG A 74 -12.003 -8.603 4.392 1.00 0.00 N ATOM 0 H ARG A 74 -6.994 -8.484 2.122 1.00 0.00 H new ATOM 0 HA ARG A 74 -5.912 -6.050 3.048 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -7.899 -8.060 4.144 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -7.468 -6.620 5.045 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -8.080 -5.377 2.788 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -8.966 -6.849 2.444 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -9.299 -5.197 4.980 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -10.340 -5.072 3.576 1.00 0.00 H new ATOM 0 HE ARG A 74 -10.471 -7.084 5.633 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -10.844 -6.598 2.156 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -11.987 -7.933 1.974 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -11.941 -8.797 5.392 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -12.606 -9.173 3.798 1.00 0.00 H new ATOM 1178 N ARG A 75 -5.084 -8.757 4.756 1.00 0.00 N ATOM 1179 CA ARG A 75 -4.138 -9.281 5.733 1.00 0.00 C ATOM 1180 C ARG A 75 -2.705 -8.919 5.351 1.00 0.00 C ATOM 1181 O ARG A 75 -1.900 -8.544 6.204 1.00 0.00 O ATOM 1182 CB ARG A 75 -4.277 -10.801 5.845 1.00 0.00 C ATOM 1183 CG ARG A 75 -3.292 -11.433 6.814 1.00 0.00 C ATOM 1184 CD ARG A 75 -1.995 -11.817 6.119 1.00 0.00 C ATOM 1185 NE ARG A 75 -1.151 -12.659 6.962 1.00 0.00 N ATOM 1186 CZ ARG A 75 -0.136 -13.379 6.499 1.00 0.00 C ATOM 1187 NH1 ARG A 75 0.160 -13.360 5.207 1.00 0.00 N ATOM 1188 NH2 ARG A 75 0.586 -14.121 7.329 1.00 0.00 N ATOM 0 H ARG A 75 -5.706 -9.458 4.353 1.00 0.00 H new ATOM 0 HA ARG A 75 -4.365 -8.829 6.699 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -5.291 -11.042 6.163 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -4.138 -11.244 4.859 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -3.079 -10.736 7.624 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -3.741 -12.318 7.265 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -2.223 -12.344 5.192 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -1.449 -10.914 5.846 1.00 0.00 H new ATOM 0 HE ARG A 75 -1.352 -12.696 7.961 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -0.393 -12.791 4.566 1.00 0.00 H new ATOM 0 HH12 ARG A 75 0.940 -13.914 4.854 1.00 0.00 H new ATOM 0 HH21 ARG A 75 0.361 -14.139 8.324 1.00 0.00 H new ATOM 0 HH22 ARG A 75 1.365 -14.674 6.972 1.00 0.00 H new ATOM 1202 N VAL A 76 -2.395 -9.032 4.063 1.00 0.00 N ATOM 1203 CA VAL A 76 -1.060 -8.716 3.568 1.00 0.00 C ATOM 1204 C VAL A 76 -0.819 -7.211 3.561 1.00 0.00 C ATOM 1205 O VAL A 76 0.160 -6.726 4.128 1.00 0.00 O ATOM 1206 CB VAL A 76 -0.844 -9.267 2.146 1.00 0.00 C ATOM 1207 CG1 VAL A 76 0.558 -8.942 1.655 1.00 0.00 C ATOM 1208 CG2 VAL A 76 -1.096 -10.766 2.112 1.00 0.00 C ATOM 0 H VAL A 76 -3.050 -9.340 3.344 1.00 0.00 H new ATOM 0 HA VAL A 76 -0.350 -9.191 4.245 1.00 0.00 H new ATOM 0 HB VAL A 76 -1.558 -8.787 1.476 1.00 0.00 H new ATOM 0 HG11 VAL A 76 0.692 -9.339 0.649 1.00 0.00 H new ATOM 0 HG12 VAL A 76 0.697 -7.861 1.640 1.00 0.00 H new ATOM 0 HG13 VAL A 76 1.291 -9.393 2.324 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -0.939 -11.139 1.100 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -0.408 -11.266 2.794 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -2.122 -10.969 2.418 1.00 0.00 H new ATOM 1218 N ILE A 77 -1.719 -6.476 2.915 1.00 0.00 N ATOM 1219 CA ILE A 77 -1.605 -5.026 2.835 1.00 0.00 C ATOM 1220 C ILE A 77 -1.484 -4.406 4.223 1.00 0.00 C ATOM 1221 O ILE A 77 -0.458 -3.816 4.564 1.00 0.00 O ATOM 1222 CB ILE A 77 -2.815 -4.405 2.113 1.00 0.00 C ATOM 1223 CG1 ILE A 77 -2.766 -4.729 0.618 1.00 0.00 C ATOM 1224 CG2 ILE A 77 -2.849 -2.900 2.333 1.00 0.00 C ATOM 1225 CD1 ILE A 77 -3.945 -4.184 -0.158 1.00 0.00 C ATOM 0 H ILE A 77 -2.535 -6.862 2.440 1.00 0.00 H new ATOM 0 HA ILE A 77 -0.702 -4.812 2.264 1.00 0.00 H new ATOM 0 HB ILE A 77 -3.727 -4.834 2.529 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -1.846 -4.324 0.197 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -2.726 -5.811 0.490 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -3.710 -2.476 1.816 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -2.926 -2.690 3.400 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -1.935 -2.454 1.941 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -3.843 -4.452 -1.210 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -4.868 -4.608 0.237 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -3.974 -3.099 -0.061 1.00 0.00 H new ATOM 1237 N LEU A 78 -2.536 -4.546 5.021 1.00 0.00 N ATOM 1238 CA LEU A 78 -2.548 -4.002 6.375 1.00 0.00 C ATOM 1239 C LEU A 78 -1.275 -4.382 7.125 1.00 0.00 C ATOM 1240 O LEU A 78 -0.434 -3.530 7.415 1.00 0.00 O ATOM 1241 CB LEU A 78 -3.773 -4.508 7.139 1.00 0.00 C ATOM 1242 CG LEU A 78 -5.042 -3.665 7.005 1.00 0.00 C ATOM 1243 CD1 LEU A 78 -5.572 -3.722 5.580 1.00 0.00 C ATOM 1244 CD2 LEU A 78 -6.102 -4.136 7.990 1.00 0.00 C ATOM 0 H LEU A 78 -3.392 -5.032 4.754 1.00 0.00 H new ATOM 0 HA LEU A 78 -2.596 -2.915 6.303 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -3.995 -5.520 6.800 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -3.515 -4.575 8.196 1.00 0.00 H new ATOM 0 HG LEU A 78 -4.794 -2.629 7.238 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -6.475 -3.117 5.503 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -4.817 -3.336 4.895 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -5.804 -4.755 5.319 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -6.998 -3.525 7.880 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -6.347 -5.179 7.789 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -5.721 -4.042 9.007 1.00 0.00 H new ATOM 1256 N THR A 79 -1.137 -5.667 7.435 1.00 0.00 N ATOM 1257 CA THR A 79 0.033 -6.160 8.150 1.00 0.00 C ATOM 1258 C THR A 79 1.297 -5.437 7.700 1.00 0.00 C ATOM 1259 O THR A 79 1.963 -4.778 8.499 1.00 0.00 O ATOM 1260 CB THR A 79 0.221 -7.675 7.943 1.00 0.00 C ATOM 1261 OG1 THR A 79 -0.869 -8.389 8.536 1.00 0.00 O ATOM 1262 CG2 THR A 79 1.533 -8.146 8.552 1.00 0.00 C ATOM 0 H THR A 79 -1.822 -6.386 7.202 1.00 0.00 H new ATOM 0 HA THR A 79 -0.138 -5.964 9.209 1.00 0.00 H new ATOM 0 HB THR A 79 0.245 -7.873 6.871 1.00 0.00 H new ATOM 0 HG1 THR A 79 -1.335 -8.906 7.846 1.00 0.00 H new ATOM 0 HG21 THR A 79 1.643 -9.219 8.393 1.00 0.00 H new ATOM 0 HG22 THR A 79 2.363 -7.622 8.078 1.00 0.00 H new ATOM 0 HG23 THR A 79 1.534 -7.935 9.621 1.00 0.00 H new ATOM 1270 N GLU A 80 1.622 -5.564 6.417 1.00 0.00 N ATOM 1271 CA GLU A 80 2.807 -4.921 5.863 1.00 0.00 C ATOM 1272 C GLU A 80 2.770 -3.414 6.100 1.00 0.00 C ATOM 1273 O GLU A 80 3.803 -2.784 6.331 1.00 0.00 O ATOM 1274 CB GLU A 80 2.917 -5.210 4.364 1.00 0.00 C ATOM 1275 CG GLU A 80 3.248 -6.658 4.047 1.00 0.00 C ATOM 1276 CD GLU A 80 4.741 -6.910 3.959 1.00 0.00 C ATOM 1277 OE1 GLU A 80 5.448 -6.077 3.354 1.00 0.00 O ATOM 1278 OE2 GLU A 80 5.202 -7.940 4.494 1.00 0.00 O ATOM 0 H GLU A 80 1.082 -6.106 5.743 1.00 0.00 H new ATOM 0 HA GLU A 80 3.681 -5.329 6.370 1.00 0.00 H new ATOM 0 HB2 GLU A 80 1.975 -4.947 3.882 1.00 0.00 H new ATOM 0 HB3 GLU A 80 3.686 -4.568 3.934 1.00 0.00 H new ATOM 0 HG2 GLU A 80 2.820 -7.301 4.816 1.00 0.00 H new ATOM 0 HG3 GLU A 80 2.780 -6.935 3.102 1.00 0.00 H new ATOM 1285 N LEU A 81 1.573 -2.841 6.040 1.00 0.00 N ATOM 1286 CA LEU A 81 1.399 -1.407 6.248 1.00 0.00 C ATOM 1287 C LEU A 81 1.705 -1.025 7.693 1.00 0.00 C ATOM 1288 O LEU A 81 2.290 0.025 7.956 1.00 0.00 O ATOM 1289 CB LEU A 81 -0.027 -0.989 5.888 1.00 0.00 C ATOM 1290 CG LEU A 81 -0.203 0.451 5.405 1.00 0.00 C ATOM 1291 CD1 LEU A 81 0.395 0.626 4.018 1.00 0.00 C ATOM 1292 CD2 LEU A 81 -1.675 0.838 5.406 1.00 0.00 C ATOM 0 H LEU A 81 0.708 -3.347 5.849 1.00 0.00 H new ATOM 0 HA LEU A 81 2.099 -0.883 5.598 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -0.395 -1.659 5.111 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -0.660 -1.137 6.763 1.00 0.00 H new ATOM 0 HG LEU A 81 0.326 1.111 6.092 1.00 0.00 H new ATOM 0 HD11 LEU A 81 0.260 1.657 3.691 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.459 0.391 4.048 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -0.105 -0.045 3.319 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -1.781 1.866 5.059 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -2.227 0.172 4.742 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -2.073 0.753 6.417 1.00 0.00 H new ATOM 1304 N GLU A 82 1.306 -1.886 8.624 1.00 0.00 N ATOM 1305 CA GLU A 82 1.539 -1.638 10.042 1.00 0.00 C ATOM 1306 C GLU A 82 3.032 -1.532 10.338 1.00 0.00 C ATOM 1307 O GLU A 82 3.436 -0.954 11.347 1.00 0.00 O ATOM 1308 CB GLU A 82 0.919 -2.754 10.886 1.00 0.00 C ATOM 1309 CG GLU A 82 1.203 -2.623 12.373 1.00 0.00 C ATOM 1310 CD GLU A 82 0.448 -1.473 13.011 1.00 0.00 C ATOM 1311 OE1 GLU A 82 -0.723 -1.252 12.638 1.00 0.00 O ATOM 1312 OE2 GLU A 82 1.029 -0.796 13.885 1.00 0.00 O ATOM 0 H GLU A 82 0.821 -2.760 8.422 1.00 0.00 H new ATOM 0 HA GLU A 82 1.067 -0.690 10.301 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -0.160 -2.759 10.730 1.00 0.00 H new ATOM 0 HB3 GLU A 82 1.296 -3.715 10.536 1.00 0.00 H new ATOM 0 HG2 GLU A 82 0.933 -3.553 12.874 1.00 0.00 H new ATOM 0 HG3 GLU A 82 2.273 -2.479 12.524 1.00 0.00 H new ATOM 1319 N ARG A 83 3.846 -2.094 9.451 1.00 0.00 N ATOM 1320 CA ARG A 83 5.295 -2.065 9.617 1.00 0.00 C ATOM 1321 C ARG A 83 5.888 -0.806 8.991 1.00 0.00 C ATOM 1322 O ARG A 83 6.502 0.011 9.677 1.00 0.00 O ATOM 1323 CB ARG A 83 5.927 -3.307 8.987 1.00 0.00 C ATOM 1324 CG ARG A 83 5.181 -4.595 9.299 1.00 0.00 C ATOM 1325 CD ARG A 83 5.997 -5.818 8.912 1.00 0.00 C ATOM 1326 NE ARG A 83 5.386 -7.056 9.389 1.00 0.00 N ATOM 1327 CZ ARG A 83 5.441 -7.464 10.652 1.00 0.00 C ATOM 1328 NH1 ARG A 83 6.076 -6.736 11.560 1.00 0.00 N ATOM 1329 NH2 ARG A 83 4.860 -8.603 11.008 1.00 0.00 N ATOM 0 H ARG A 83 3.527 -2.575 8.610 1.00 0.00 H new ATOM 0 HA ARG A 83 5.513 -2.057 10.685 1.00 0.00 H new ATOM 0 HB2 ARG A 83 5.969 -3.174 7.906 1.00 0.00 H new ATOM 0 HB3 ARG A 83 6.955 -3.399 9.337 1.00 0.00 H new ATOM 0 HG2 ARG A 83 4.948 -4.633 10.363 1.00 0.00 H new ATOM 0 HG3 ARG A 83 4.231 -4.606 8.764 1.00 0.00 H new ATOM 0 HD2 ARG A 83 6.098 -5.858 7.827 1.00 0.00 H new ATOM 0 HD3 ARG A 83 7.003 -5.728 9.323 1.00 0.00 H new ATOM 0 HE ARG A 83 4.890 -7.639 8.715 1.00 0.00 H new ATOM 0 HH11 ARG A 83 6.524 -5.860 11.289 1.00 0.00 H new ATOM 0 HH12 ARG A 83 6.117 -7.052 12.529 1.00 0.00 H new ATOM 0 HH21 ARG A 83 4.371 -9.165 10.312 1.00 0.00 H new ATOM 0 HH22 ARG A 83 4.903 -8.916 11.978 1.00 0.00 H new ATOM 1343 N VAL A 84 5.701 -0.657 7.683 1.00 0.00 N ATOM 1344 CA VAL A 84 6.217 0.502 6.964 1.00 0.00 C ATOM 1345 C VAL A 84 5.785 1.801 7.634 1.00 0.00 C ATOM 1346 O VAL A 84 6.513 2.794 7.613 1.00 0.00 O ATOM 1347 CB VAL A 84 5.743 0.510 5.499 1.00 0.00 C ATOM 1348 CG1 VAL A 84 6.419 -0.603 4.713 1.00 0.00 C ATOM 1349 CG2 VAL A 84 4.229 0.380 5.428 1.00 0.00 C ATOM 0 H VAL A 84 5.196 -1.324 7.100 1.00 0.00 H new ATOM 0 HA VAL A 84 7.304 0.430 6.986 1.00 0.00 H new ATOM 0 HB VAL A 84 6.024 1.462 5.050 1.00 0.00 H new ATOM 0 HG11 VAL A 84 6.072 -0.582 3.680 1.00 0.00 H new ATOM 0 HG12 VAL A 84 7.499 -0.460 4.736 1.00 0.00 H new ATOM 0 HG13 VAL A 84 6.171 -1.566 5.159 1.00 0.00 H new ATOM 0 HG21 VAL A 84 3.912 0.387 4.385 1.00 0.00 H new ATOM 0 HG22 VAL A 84 3.922 -0.556 5.894 1.00 0.00 H new ATOM 0 HG23 VAL A 84 3.767 1.216 5.954 1.00 0.00 H new ATOM 1359 N ARG A 85 4.597 1.787 8.228 1.00 0.00 N ATOM 1360 CA ARG A 85 4.067 2.965 8.905 1.00 0.00 C ATOM 1361 C ARG A 85 4.753 3.174 10.251 1.00 0.00 C ATOM 1362 O ARG A 85 5.063 4.302 10.633 1.00 0.00 O ATOM 1363 CB ARG A 85 2.556 2.827 9.106 1.00 0.00 C ATOM 1364 CG ARG A 85 2.176 1.904 10.251 1.00 0.00 C ATOM 1365 CD ARG A 85 0.692 1.996 10.572 1.00 0.00 C ATOM 1366 NE ARG A 85 0.356 3.245 11.250 1.00 0.00 N ATOM 1367 CZ ARG A 85 -0.873 3.748 11.297 1.00 0.00 C ATOM 1368 NH1 ARG A 85 -1.876 3.112 10.708 1.00 0.00 N ATOM 1369 NH2 ARG A 85 -1.100 4.890 11.934 1.00 0.00 N ATOM 0 H ARG A 85 3.983 0.973 8.255 1.00 0.00 H new ATOM 0 HA ARG A 85 4.266 3.834 8.277 1.00 0.00 H new ATOM 0 HB2 ARG A 85 2.131 3.814 9.290 1.00 0.00 H new ATOM 0 HB3 ARG A 85 2.108 2.453 8.185 1.00 0.00 H new ATOM 0 HG2 ARG A 85 2.430 0.876 9.991 1.00 0.00 H new ATOM 0 HG3 ARG A 85 2.757 2.162 11.136 1.00 0.00 H new ATOM 0 HD2 ARG A 85 0.116 1.918 9.650 1.00 0.00 H new ATOM 0 HD3 ARG A 85 0.404 1.153 11.200 1.00 0.00 H new ATOM 0 HE ARG A 85 1.106 3.759 11.713 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -1.705 2.234 10.217 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -2.818 3.500 10.746 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -0.331 5.382 12.388 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -2.044 5.275 11.969 1.00 0.00 H new