USER MOD reduce.3.24.130724 H: found=0, std=0, add=816, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 817 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 72 ASN : amide:sc= -1.65! C(o=-0.79!,f=-9.3!) USER MOD Set 1.2: A 82 LYS NZ :NH3+ 154:sc= 0.861 (180deg=-1.09) USER MOD Set 2.1: A 23 TYR OH : rot 161:sc= 0.421 USER MOD Set 2.2: A 46 HIS : no HD1:sc= -0.152 K(o=0.27,f=-1) USER MOD Set 3.1: A 30 ASN :FLIP amide:sc= 0.0394 F(o=-1.4,f=0.21) USER MOD Set 3.2: A 33 THR OG1 : rot -1:sc= 0.17 USER MOD Set 4.1: A 27 ASN :FLIP amide:sc= -0.846! F(o=-2.2,f=-1.3!) USER MOD Set 4.2: A 29 HIS : no HD1:sc= -0.414 K(o=-1.3,f=-1.9) USER MOD Single : A 16 CYS SG : rot 65:sc= 0.302 USER MOD Single : A 17 GLN : amide:sc= 0.856 K(o=0.86,f=-3.4!) USER MOD Single : A 18 MET CE :methyl -176:sc= 0 (180deg=-0.0208) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot -66:sc= 0.954 USER MOD Single : A 25 ASN : amide:sc= -1.93 K(o=-1.9,f=-5.8!) USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.227! USER MOD Single : A 34 SER OG : rot -130:sc= -0.89 USER MOD Single : A 42 ASN : amide:sc= -3.45! C(o=-3.4!,f=-4.4!) USER MOD Single : A 47 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000379) USER MOD Single : A 48 HIS :FLIP no HE2:sc= -5.93! C(o=-10!,f=-5.9!) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ -143:sc= -0.527 (180deg=-2.08!) USER MOD Single : A 60 LYS NZ :NH3+ -157:sc= -0.0652 (180deg=-0.373) USER MOD Single : A 61 CYS SG : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= -1.87 K(o=-1.9,f=-4.6!) USER MOD Single : A 64 HIS : no HE2:sc= 0.137 K(o=0.14,f=-1.6) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= 0.392 K(o=0.39,f=-1.9!) USER MOD Single : A 68 GLN : amide:sc= -0.0497 K(o=-0.05,f=-1.2) USER MOD Single : A 69 ASN : amide:sc= -0.383 X(o=-0.38,f=-0.012) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 ASN : amide:sc= -0.937 K(o=-0.94,f=-4.6!) USER MOD Single : A 93 GLN : amide:sc=-0.00392 K(o=-0.0039,f=-1.1) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot 87:sc= 0.707 USER MOD Single : A 102 TYR OH : rot 180:sc= -0.137 USER MOD Single : A 105 THR OG1 : rot -72:sc= 0.933 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 HIS : no HD1:sc= -0.104 X(o=-0.1,f=0.0073) USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 98 N ASP A 10 12.574 7.296 -1.334 1.00 0.00 N ATOM 99 CA ASP A 10 12.296 7.479 -2.754 1.00 0.00 C ATOM 100 C ASP A 10 12.053 6.138 -3.437 1.00 0.00 C ATOM 101 O ASP A 10 11.038 5.944 -4.105 1.00 0.00 O ATOM 102 CB ASP A 10 13.457 8.209 -3.432 1.00 0.00 C ATOM 103 CG ASP A 10 13.070 8.785 -4.780 1.00 0.00 C ATOM 104 OD1 ASP A 10 11.861 8.997 -5.009 1.00 0.00 O ATOM 105 OD2 ASP A 10 13.976 9.026 -5.603 1.00 0.00 O ATOM 0 HA ASP A 10 11.393 8.082 -2.848 1.00 0.00 H new ATOM 0 HB2 ASP A 10 13.806 9.013 -2.783 1.00 0.00 H new ATOM 0 HB3 ASP A 10 14.291 7.519 -3.561 1.00 0.00 H new ATOM 110 N ALA A 11 12.993 5.213 -3.268 1.00 0.00 N ATOM 111 CA ALA A 11 12.881 3.889 -3.867 1.00 0.00 C ATOM 112 C ALA A 11 11.468 3.336 -3.716 1.00 0.00 C ATOM 113 O ALA A 11 10.890 2.810 -4.667 1.00 0.00 O ATOM 114 CB ALA A 11 13.892 2.940 -3.243 1.00 0.00 C ATOM 0 H ALA A 11 13.841 5.357 -2.720 1.00 0.00 H new ATOM 0 HA ALA A 11 13.095 3.980 -4.932 1.00 0.00 H new ATOM 0 HB1 ALA A 11 13.797 1.955 -3.700 1.00 0.00 H new ATOM 0 HB2 ALA A 11 14.900 3.321 -3.409 1.00 0.00 H new ATOM 0 HB3 ALA A 11 13.705 2.862 -2.172 1.00 0.00 H new ATOM 120 N LEU A 12 10.916 3.458 -2.513 1.00 0.00 N ATOM 121 CA LEU A 12 9.570 2.969 -2.236 1.00 0.00 C ATOM 122 C LEU A 12 8.520 3.875 -2.870 1.00 0.00 C ATOM 123 O LEU A 12 7.659 3.414 -3.621 1.00 0.00 O ATOM 124 CB LEU A 12 9.339 2.880 -0.726 1.00 0.00 C ATOM 125 CG LEU A 12 8.087 2.125 -0.282 1.00 0.00 C ATOM 126 CD1 LEU A 12 8.259 0.630 -0.502 1.00 0.00 C ATOM 127 CD2 LEU A 12 7.777 2.418 1.179 1.00 0.00 C ATOM 0 H LEU A 12 11.380 3.891 -1.715 1.00 0.00 H new ATOM 0 HA LEU A 12 9.475 1.974 -2.671 1.00 0.00 H new ATOM 0 HB2 LEU A 12 10.207 2.401 -0.274 1.00 0.00 H new ATOM 0 HB3 LEU A 12 9.289 3.893 -0.326 1.00 0.00 H new ATOM 0 HG LEU A 12 7.247 2.467 -0.887 1.00 0.00 H new ATOM 0 HD11 LEU A 12 7.357 0.109 -0.180 1.00 0.00 H new ATOM 0 HD12 LEU A 12 8.432 0.436 -1.560 1.00 0.00 H new ATOM 0 HD13 LEU A 12 9.111 0.273 0.077 1.00 0.00 H new ATOM 0 HD21 LEU A 12 6.882 1.872 1.478 1.00 0.00 H new ATOM 0 HD22 LEU A 12 8.617 2.105 1.799 1.00 0.00 H new ATOM 0 HD23 LEU A 12 7.609 3.487 1.308 1.00 0.00 H new ATOM 139 N LEU A 13 8.599 5.165 -2.566 1.00 0.00 N ATOM 140 CA LEU A 13 7.656 6.138 -3.109 1.00 0.00 C ATOM 141 C LEU A 13 7.452 5.922 -4.605 1.00 0.00 C ATOM 142 O LEU A 13 6.324 5.955 -5.099 1.00 0.00 O ATOM 143 CB LEU A 13 8.156 7.561 -2.850 1.00 0.00 C ATOM 144 CG LEU A 13 7.288 8.689 -3.410 1.00 0.00 C ATOM 145 CD1 LEU A 13 6.091 8.939 -2.506 1.00 0.00 C ATOM 146 CD2 LEU A 13 8.108 9.960 -3.576 1.00 0.00 C ATOM 0 H LEU A 13 9.306 5.562 -1.947 1.00 0.00 H new ATOM 0 HA LEU A 13 6.698 5.999 -2.607 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.249 7.702 -1.773 1.00 0.00 H new ATOM 0 HB3 LEU A 13 9.157 7.656 -3.272 1.00 0.00 H new ATOM 0 HG LEU A 13 6.920 8.387 -4.391 1.00 0.00 H new ATOM 0 HD11 LEU A 13 5.485 9.745 -2.920 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.491 8.032 -2.437 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.438 9.220 -1.512 1.00 0.00 H new ATOM 0 HD21 LEU A 13 7.475 10.752 -3.975 1.00 0.00 H new ATOM 0 HD22 LEU A 13 8.505 10.266 -2.608 1.00 0.00 H new ATOM 0 HD23 LEU A 13 8.933 9.774 -4.264 1.00 0.00 H new ATOM 158 N LEU A 14 8.549 5.700 -5.320 1.00 0.00 N ATOM 159 CA LEU A 14 8.490 5.475 -6.761 1.00 0.00 C ATOM 160 C LEU A 14 7.769 4.170 -7.080 1.00 0.00 C ATOM 161 O LEU A 14 7.006 4.090 -8.041 1.00 0.00 O ATOM 162 CB LEU A 14 9.901 5.450 -7.350 1.00 0.00 C ATOM 163 CG LEU A 14 10.016 4.962 -8.795 1.00 0.00 C ATOM 164 CD1 LEU A 14 9.366 5.952 -9.747 1.00 0.00 C ATOM 165 CD2 LEU A 14 11.474 4.738 -9.168 1.00 0.00 C ATOM 0 H LEU A 14 9.490 5.671 -4.927 1.00 0.00 H new ATOM 0 HA LEU A 14 7.930 6.295 -7.210 1.00 0.00 H new ATOM 0 HB2 LEU A 14 10.315 6.457 -7.293 1.00 0.00 H new ATOM 0 HB3 LEU A 14 10.524 4.814 -6.722 1.00 0.00 H new ATOM 0 HG LEU A 14 9.490 4.011 -8.879 1.00 0.00 H new ATOM 0 HD11 LEU A 14 9.458 5.587 -10.770 1.00 0.00 H new ATOM 0 HD12 LEU A 14 8.311 6.061 -9.494 1.00 0.00 H new ATOM 0 HD13 LEU A 14 9.862 6.919 -9.661 1.00 0.00 H new ATOM 0 HD21 LEU A 14 11.537 4.391 -10.199 1.00 0.00 H new ATOM 0 HD22 LEU A 14 12.024 5.674 -9.066 1.00 0.00 H new ATOM 0 HD23 LEU A 14 11.908 3.988 -8.506 1.00 0.00 H new ATOM 177 N TRP A 15 8.016 3.150 -6.265 1.00 0.00 N ATOM 178 CA TRP A 15 7.388 1.848 -6.460 1.00 0.00 C ATOM 179 C TRP A 15 5.869 1.973 -6.478 1.00 0.00 C ATOM 180 O TRP A 15 5.213 1.541 -7.427 1.00 0.00 O ATOM 181 CB TRP A 15 7.819 0.881 -5.356 1.00 0.00 C ATOM 182 CG TRP A 15 7.432 -0.541 -5.626 1.00 0.00 C ATOM 183 CD1 TRP A 15 7.978 -1.376 -6.558 1.00 0.00 C ATOM 184 CD2 TRP A 15 6.412 -1.293 -4.958 1.00 0.00 C ATOM 185 NE1 TRP A 15 7.359 -2.603 -6.510 1.00 0.00 N ATOM 186 CE2 TRP A 15 6.396 -2.577 -5.537 1.00 0.00 C ATOM 187 CE3 TRP A 15 5.513 -1.007 -3.928 1.00 0.00 C ATOM 188 CZ2 TRP A 15 5.515 -3.571 -5.118 1.00 0.00 C ATOM 189 CZ3 TRP A 15 4.639 -1.994 -3.514 1.00 0.00 C ATOM 190 CH2 TRP A 15 4.646 -3.263 -4.107 1.00 0.00 C ATOM 0 H TRP A 15 8.646 3.199 -5.464 1.00 0.00 H new ATOM 0 HA TRP A 15 7.713 1.457 -7.424 1.00 0.00 H new ATOM 0 HB2 TRP A 15 8.901 0.939 -5.235 1.00 0.00 H new ATOM 0 HB3 TRP A 15 7.375 1.198 -4.412 1.00 0.00 H new ATOM 0 HD1 TRP A 15 8.778 -1.112 -7.233 1.00 0.00 H new ATOM 0 HE1 TRP A 15 7.581 -3.403 -7.103 1.00 0.00 H new ATOM 0 HE3 TRP A 15 5.501 -0.032 -3.464 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 5.518 -4.550 -5.575 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 3.938 -1.783 -2.720 1.00 0.00 H new ATOM 0 HH2 TRP A 15 3.952 -4.013 -3.759 1.00 0.00 H new ATOM 201 N CYS A 16 5.315 2.566 -5.426 1.00 0.00 N ATOM 202 CA CYS A 16 3.872 2.747 -5.322 1.00 0.00 C ATOM 203 C CYS A 16 3.356 3.648 -6.440 1.00 0.00 C ATOM 204 O CYS A 16 2.248 3.456 -6.942 1.00 0.00 O ATOM 205 CB CYS A 16 3.509 3.343 -3.961 1.00 0.00 C ATOM 206 SG CYS A 16 4.494 2.700 -2.588 1.00 0.00 S ATOM 0 H CYS A 16 5.844 2.930 -4.633 1.00 0.00 H new ATOM 0 HA CYS A 16 3.399 1.770 -5.420 1.00 0.00 H new ATOM 0 HB2 CYS A 16 3.631 4.425 -4.006 1.00 0.00 H new ATOM 0 HB3 CYS A 16 2.455 3.149 -3.761 1.00 0.00 H new ATOM 0 HG CYS A 16 5.737 3.044 -2.747 1.00 0.00 H new ATOM 212 N GLN A 17 4.163 4.633 -6.821 1.00 0.00 N ATOM 213 CA GLN A 17 3.786 5.564 -7.876 1.00 0.00 C ATOM 214 C GLN A 17 3.644 4.843 -9.213 1.00 0.00 C ATOM 215 O GLN A 17 2.694 5.081 -9.959 1.00 0.00 O ATOM 216 CB GLN A 17 4.824 6.682 -7.994 1.00 0.00 C ATOM 217 CG GLN A 17 4.693 7.750 -6.920 1.00 0.00 C ATOM 218 CD GLN A 17 5.790 8.793 -6.997 1.00 0.00 C ATOM 219 OE1 GLN A 17 6.899 8.510 -7.450 1.00 0.00 O ATOM 220 NE2 GLN A 17 5.485 10.006 -6.553 1.00 0.00 N ATOM 0 H GLN A 17 5.082 4.806 -6.414 1.00 0.00 H new ATOM 0 HA GLN A 17 2.822 5.999 -7.614 1.00 0.00 H new ATOM 0 HB2 GLN A 17 5.822 6.247 -7.942 1.00 0.00 H new ATOM 0 HB3 GLN A 17 4.731 7.151 -8.974 1.00 0.00 H new ATOM 0 HG2 GLN A 17 3.724 8.240 -7.016 1.00 0.00 H new ATOM 0 HG3 GLN A 17 4.715 7.277 -5.938 1.00 0.00 H new ATOM 0 HE21 GLN A 17 4.552 10.195 -6.186 1.00 0.00 H new ATOM 0 HE22 GLN A 17 6.183 10.749 -6.579 1.00 0.00 H new ATOM 229 N MET A 18 4.593 3.963 -9.509 1.00 0.00 N ATOM 230 CA MET A 18 4.572 3.207 -10.756 1.00 0.00 C ATOM 231 C MET A 18 3.332 2.323 -10.836 1.00 0.00 C ATOM 232 O MET A 18 2.619 2.325 -11.840 1.00 0.00 O ATOM 233 CB MET A 18 5.833 2.349 -10.878 1.00 0.00 C ATOM 234 CG MET A 18 7.100 3.158 -11.106 1.00 0.00 C ATOM 235 SD MET A 18 8.400 2.202 -11.909 1.00 0.00 S ATOM 236 CE MET A 18 8.715 0.948 -10.669 1.00 0.00 C ATOM 0 H MET A 18 5.387 3.755 -8.903 1.00 0.00 H new ATOM 0 HA MET A 18 4.543 3.918 -11.582 1.00 0.00 H new ATOM 0 HB2 MET A 18 5.949 1.757 -9.970 1.00 0.00 H new ATOM 0 HB3 MET A 18 5.707 1.647 -11.703 1.00 0.00 H new ATOM 0 HG2 MET A 18 6.865 4.029 -11.717 1.00 0.00 H new ATOM 0 HG3 MET A 18 7.466 3.530 -10.149 1.00 0.00 H new ATOM 0 HE1 MET A 18 9.547 0.320 -10.989 1.00 0.00 H new ATOM 0 HE2 MET A 18 8.965 1.427 -9.722 1.00 0.00 H new ATOM 0 HE3 MET A 18 7.825 0.332 -10.540 1.00 0.00 H new ATOM 246 N LYS A 19 3.079 1.569 -9.772 1.00 0.00 N ATOM 247 CA LYS A 19 1.925 0.681 -9.720 1.00 0.00 C ATOM 248 C LYS A 19 0.623 1.478 -9.745 1.00 0.00 C ATOM 249 O LYS A 19 -0.219 1.284 -10.621 1.00 0.00 O ATOM 250 CB LYS A 19 1.979 -0.187 -8.461 1.00 0.00 C ATOM 251 CG LYS A 19 3.290 -0.937 -8.296 1.00 0.00 C ATOM 252 CD LYS A 19 3.602 -1.789 -9.515 1.00 0.00 C ATOM 253 CE LYS A 19 4.636 -2.859 -9.197 1.00 0.00 C ATOM 254 NZ LYS A 19 4.756 -3.858 -10.296 1.00 0.00 N ATOM 0 H LYS A 19 3.659 1.556 -8.933 1.00 0.00 H new ATOM 0 HA LYS A 19 1.954 0.037 -10.599 1.00 0.00 H new ATOM 0 HB2 LYS A 19 1.819 0.444 -7.587 1.00 0.00 H new ATOM 0 HB3 LYS A 19 1.160 -0.906 -8.490 1.00 0.00 H new ATOM 0 HG2 LYS A 19 4.099 -0.225 -8.132 1.00 0.00 H new ATOM 0 HG3 LYS A 19 3.239 -1.571 -7.411 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.687 -2.261 -9.874 1.00 0.00 H new ATOM 0 HD3 LYS A 19 3.970 -1.153 -10.320 1.00 0.00 H new ATOM 0 HE2 LYS A 19 5.604 -2.389 -9.026 1.00 0.00 H new ATOM 0 HE3 LYS A 19 4.361 -3.367 -8.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 5.470 -4.570 -10.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 3.838 -4.325 -10.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 5.044 -3.377 -11.172 1.00 0.00 H new ATOM 268 N THR A 20 0.466 2.376 -8.777 1.00 0.00 N ATOM 269 CA THR A 20 -0.730 3.202 -8.688 1.00 0.00 C ATOM 270 C THR A 20 -0.983 3.946 -9.994 1.00 0.00 C ATOM 271 O THR A 20 -2.129 4.210 -10.358 1.00 0.00 O ATOM 272 CB THR A 20 -0.624 4.225 -7.541 1.00 0.00 C ATOM 273 OG1 THR A 20 0.418 5.166 -7.819 1.00 0.00 O ATOM 274 CG2 THR A 20 -0.343 3.527 -6.219 1.00 0.00 C ATOM 0 H THR A 20 1.153 2.549 -8.044 1.00 0.00 H new ATOM 0 HA THR A 20 -1.564 2.529 -8.488 1.00 0.00 H new ATOM 0 HB THR A 20 -1.576 4.750 -7.462 1.00 0.00 H new ATOM 0 HG1 THR A 20 1.284 4.708 -7.805 1.00 0.00 H new ATOM 0 HG21 THR A 20 -0.272 4.269 -5.424 1.00 0.00 H new ATOM 0 HG22 THR A 20 -1.152 2.832 -5.996 1.00 0.00 H new ATOM 0 HG23 THR A 20 0.597 2.980 -6.289 1.00 0.00 H new ATOM 282 N ALA A 21 0.094 4.281 -10.698 1.00 0.00 N ATOM 283 CA ALA A 21 -0.013 4.992 -11.965 1.00 0.00 C ATOM 284 C ALA A 21 -1.145 4.429 -12.817 1.00 0.00 C ATOM 285 O ALA A 21 -1.895 5.178 -13.443 1.00 0.00 O ATOM 286 CB ALA A 21 1.306 4.922 -12.722 1.00 0.00 C ATOM 0 H ALA A 21 1.050 4.071 -10.412 1.00 0.00 H new ATOM 0 HA ALA A 21 -0.241 6.036 -11.750 1.00 0.00 H new ATOM 0 HB1 ALA A 21 1.212 5.457 -13.667 1.00 0.00 H new ATOM 0 HB2 ALA A 21 2.094 5.379 -12.123 1.00 0.00 H new ATOM 0 HB3 ALA A 21 1.558 3.880 -12.919 1.00 0.00 H new ATOM 292 N GLY A 22 -1.262 3.105 -12.838 1.00 0.00 N ATOM 293 CA GLY A 22 -2.305 2.464 -13.618 1.00 0.00 C ATOM 294 C GLY A 22 -3.633 3.186 -13.513 1.00 0.00 C ATOM 295 O GLY A 22 -4.327 3.373 -14.512 1.00 0.00 O ATOM 0 H GLY A 22 -0.653 2.464 -12.329 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -1.999 2.422 -14.663 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -2.427 1.435 -13.280 1.00 0.00 H new ATOM 299 N TYR A 23 -3.990 3.590 -12.298 1.00 0.00 N ATOM 300 CA TYR A 23 -5.248 4.292 -12.065 1.00 0.00 C ATOM 301 C TYR A 23 -5.021 5.798 -11.969 1.00 0.00 C ATOM 302 O TYR A 23 -4.056 6.269 -11.368 1.00 0.00 O ATOM 303 CB TYR A 23 -5.911 3.782 -10.785 1.00 0.00 C ATOM 304 CG TYR A 23 -5.600 2.334 -10.478 1.00 0.00 C ATOM 305 CD1 TYR A 23 -4.410 1.975 -9.857 1.00 0.00 C ATOM 306 CD2 TYR A 23 -6.498 1.326 -10.806 1.00 0.00 C ATOM 307 CE1 TYR A 23 -4.122 0.652 -9.576 1.00 0.00 C ATOM 308 CE2 TYR A 23 -6.219 0.002 -10.527 1.00 0.00 C ATOM 309 CZ TYR A 23 -5.030 -0.330 -9.912 1.00 0.00 C ATOM 310 OH TYR A 23 -4.748 -1.647 -9.632 1.00 0.00 O ATOM 0 H TYR A 23 -3.427 3.444 -11.460 1.00 0.00 H new ATOM 0 HA TYR A 23 -5.907 4.095 -12.911 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -5.588 4.400 -9.947 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -6.991 3.903 -10.872 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -3.698 2.742 -9.589 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -7.430 1.582 -11.287 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -3.191 0.389 -9.096 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -6.928 -0.769 -10.789 1.00 0.00 H new ATOM 0 HH TYR A 23 -5.578 -2.169 -9.642 1.00 0.00 H new ATOM 320 N PRO A 24 -5.934 6.572 -12.575 1.00 0.00 N ATOM 321 CA PRO A 24 -5.857 8.036 -12.572 1.00 0.00 C ATOM 322 C PRO A 24 -6.128 8.627 -11.192 1.00 0.00 C ATOM 323 O PRO A 24 -5.377 9.476 -10.712 1.00 0.00 O ATOM 324 CB PRO A 24 -6.954 8.450 -13.556 1.00 0.00 C ATOM 325 CG PRO A 24 -7.925 7.320 -13.540 1.00 0.00 C ATOM 326 CD PRO A 24 -7.110 6.078 -13.310 1.00 0.00 C ATOM 0 HA PRO A 24 -4.864 8.393 -12.844 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -7.428 9.383 -13.251 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -6.549 8.610 -14.555 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -8.665 7.453 -12.751 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -8.470 7.260 -14.482 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -7.662 5.336 -12.733 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -6.826 5.604 -14.250 1.00 0.00 H new ATOM 334 N ASN A 25 -7.206 8.173 -10.561 1.00 0.00 N ATOM 335 CA ASN A 25 -7.575 8.658 -9.235 1.00 0.00 C ATOM 336 C ASN A 25 -6.460 8.393 -8.229 1.00 0.00 C ATOM 337 O ASN A 25 -6.109 9.264 -7.432 1.00 0.00 O ATOM 338 CB ASN A 25 -8.869 7.989 -8.768 1.00 0.00 C ATOM 339 CG ASN A 25 -9.519 8.729 -7.615 1.00 0.00 C ATOM 340 OD1 ASN A 25 -9.650 8.195 -6.514 1.00 0.00 O ATOM 341 ND2 ASN A 25 -9.930 9.967 -7.865 1.00 0.00 N ATOM 0 H ASN A 25 -7.839 7.471 -10.945 1.00 0.00 H new ATOM 0 HA ASN A 25 -7.733 9.735 -9.299 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -9.569 7.935 -9.602 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -8.656 6.964 -8.464 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -10.375 10.515 -7.129 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -9.801 10.370 -8.793 1.00 0.00 H new ATOM 348 N VAL A 26 -5.906 7.186 -8.271 1.00 0.00 N ATOM 349 CA VAL A 26 -4.829 6.807 -7.364 1.00 0.00 C ATOM 350 C VAL A 26 -3.540 7.548 -7.701 1.00 0.00 C ATOM 351 O VAL A 26 -3.039 7.465 -8.821 1.00 0.00 O ATOM 352 CB VAL A 26 -4.563 5.291 -7.412 1.00 0.00 C ATOM 353 CG1 VAL A 26 -3.645 4.873 -6.273 1.00 0.00 C ATOM 354 CG2 VAL A 26 -5.873 4.519 -7.360 1.00 0.00 C ATOM 0 H VAL A 26 -6.185 6.453 -8.924 1.00 0.00 H new ATOM 0 HA VAL A 26 -5.150 7.081 -6.359 1.00 0.00 H new ATOM 0 HB VAL A 26 -4.065 5.057 -8.353 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.469 3.799 -6.323 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.695 5.401 -6.359 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -4.113 5.119 -5.320 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -5.667 3.449 -7.395 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -6.399 4.757 -6.436 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -6.493 4.797 -8.212 1.00 0.00 H new ATOM 364 N ASN A 27 -3.008 8.274 -6.723 1.00 0.00 N ATOM 365 CA ASN A 27 -1.777 9.031 -6.916 1.00 0.00 C ATOM 366 C ASN A 27 -0.953 9.065 -5.632 1.00 0.00 C ATOM 367 O ASN A 27 -1.418 9.539 -4.595 1.00 0.00 O ATOM 368 CB ASN A 27 -2.096 10.458 -7.367 1.00 0.00 C ATOM 369 CG ASN A 27 -2.631 10.509 -8.785 1.00 0.00 C ATOM 370 OD1 ASN A 27 -1.784 10.919 -9.723 1.00 0.00 O flip ATOM 371 ND2 ASN A 27 -3.792 10.182 -9.035 1.00 0.00 N flip ATOM 0 H ASN A 27 -3.410 8.354 -5.789 1.00 0.00 H new ATOM 0 HA ASN A 27 -1.192 8.534 -7.690 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -2.829 10.895 -6.689 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -1.195 11.068 -7.299 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -4.408 9.873 -8.283 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -4.137 10.220 -9.994 1.00 0.00 H new ATOM 378 N VAL A 28 0.274 8.560 -5.709 1.00 0.00 N ATOM 379 CA VAL A 28 1.164 8.533 -4.554 1.00 0.00 C ATOM 380 C VAL A 28 2.240 9.608 -4.666 1.00 0.00 C ATOM 381 O VAL A 28 3.328 9.360 -5.186 1.00 0.00 O ATOM 382 CB VAL A 28 1.841 7.159 -4.398 1.00 0.00 C ATOM 383 CG1 VAL A 28 2.661 7.109 -3.119 1.00 0.00 C ATOM 384 CG2 VAL A 28 0.802 6.048 -4.419 1.00 0.00 C ATOM 0 H VAL A 28 0.675 8.164 -6.559 1.00 0.00 H new ATOM 0 HA VAL A 28 0.549 8.727 -3.675 1.00 0.00 H new ATOM 0 HB VAL A 28 2.517 7.009 -5.240 1.00 0.00 H new ATOM 0 HG11 VAL A 28 3.132 6.130 -3.027 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.431 7.880 -3.150 1.00 0.00 H new ATOM 0 HG13 VAL A 28 2.010 7.281 -2.262 1.00 0.00 H new ATOM 0 HG21 VAL A 28 1.298 5.084 -4.308 1.00 0.00 H new ATOM 0 HG22 VAL A 28 0.099 6.192 -3.598 1.00 0.00 H new ATOM 0 HG23 VAL A 28 0.263 6.072 -5.366 1.00 0.00 H new ATOM 394 N HIS A 29 1.930 10.803 -4.173 1.00 0.00 N ATOM 395 CA HIS A 29 2.871 11.916 -4.216 1.00 0.00 C ATOM 396 C HIS A 29 3.648 12.020 -2.907 1.00 0.00 C ATOM 397 O HIS A 29 4.839 12.331 -2.905 1.00 0.00 O ATOM 398 CB HIS A 29 2.131 13.226 -4.490 1.00 0.00 C ATOM 399 CG HIS A 29 1.327 13.207 -5.753 1.00 0.00 C ATOM 400 ND1 HIS A 29 0.141 13.895 -5.900 1.00 0.00 N ATOM 401 CD2 HIS A 29 1.544 12.580 -6.933 1.00 0.00 C ATOM 402 CE1 HIS A 29 -0.338 13.689 -7.114 1.00 0.00 C ATOM 403 NE2 HIS A 29 0.497 12.895 -7.761 1.00 0.00 N ATOM 0 H HIS A 29 1.034 11.025 -3.739 1.00 0.00 H new ATOM 0 HA HIS A 29 3.579 11.732 -5.024 1.00 0.00 H new ATOM 0 HB2 HIS A 29 1.469 13.442 -3.651 1.00 0.00 H new ATOM 0 HB3 HIS A 29 2.855 14.039 -4.542 1.00 0.00 H new ATOM 0 HD2 HIS A 29 2.386 11.949 -7.177 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -1.255 14.099 -7.510 1.00 0.00 H new ATOM 0 HE2 HIS A 29 0.382 12.569 -8.721 1.00 0.00 H new ATOM 412 N ASN A 30 2.967 11.759 -1.797 1.00 0.00 N ATOM 413 CA ASN A 30 3.593 11.826 -0.481 1.00 0.00 C ATOM 414 C ASN A 30 3.245 10.595 0.349 1.00 0.00 C ATOM 415 O ASN A 30 2.583 9.675 -0.131 1.00 0.00 O ATOM 416 CB ASN A 30 3.150 13.093 0.253 1.00 0.00 C ATOM 417 CG ASN A 30 1.754 13.533 -0.142 1.00 0.00 C ATOM 418 OD1 ASN A 30 0.782 12.647 0.036 1.00 0.00 O flip ATOM 419 ND2 ASN A 30 1.553 14.658 -0.601 1.00 0.00 N flip ATOM 0 H ASN A 30 1.981 11.499 -1.782 1.00 0.00 H new ATOM 0 HA ASN A 30 4.674 11.855 -0.620 1.00 0.00 H new ATOM 0 HB2 ASN A 30 3.181 12.916 1.328 1.00 0.00 H new ATOM 0 HB3 ASN A 30 3.855 13.897 0.041 1.00 0.00 H new ATOM 0 HD21 ASN A 30 2.331 15.307 -0.720 1.00 0.00 H new ATOM 0 HD22 ASN A 30 0.608 14.941 -0.862 1.00 0.00 H new ATOM 426 N PHE A 31 3.697 10.585 1.598 1.00 0.00 N ATOM 427 CA PHE A 31 3.435 9.466 2.497 1.00 0.00 C ATOM 428 C PHE A 31 2.536 9.896 3.653 1.00 0.00 C ATOM 429 O PHE A 31 2.576 9.314 4.737 1.00 0.00 O ATOM 430 CB PHE A 31 4.749 8.902 3.041 1.00 0.00 C ATOM 431 CG PHE A 31 5.470 8.015 2.067 1.00 0.00 C ATOM 432 CD1 PHE A 31 4.870 6.865 1.581 1.00 0.00 C ATOM 433 CD2 PHE A 31 6.748 8.334 1.635 1.00 0.00 C ATOM 434 CE1 PHE A 31 5.532 6.047 0.685 1.00 0.00 C ATOM 435 CE2 PHE A 31 7.414 7.521 0.737 1.00 0.00 C ATOM 436 CZ PHE A 31 6.805 6.376 0.261 1.00 0.00 C ATOM 0 H PHE A 31 4.246 11.338 2.011 1.00 0.00 H new ATOM 0 HA PHE A 31 2.922 8.690 1.930 1.00 0.00 H new ATOM 0 HB2 PHE A 31 5.402 9.729 3.319 1.00 0.00 H new ATOM 0 HB3 PHE A 31 4.544 8.338 3.951 1.00 0.00 H new ATOM 0 HD1 PHE A 31 3.874 6.605 1.906 1.00 0.00 H new ATOM 0 HD2 PHE A 31 7.229 9.228 2.004 1.00 0.00 H new ATOM 0 HE1 PHE A 31 5.054 5.151 0.317 1.00 0.00 H new ATOM 0 HE2 PHE A 31 8.409 7.781 0.408 1.00 0.00 H new ATOM 0 HZ PHE A 31 7.323 5.739 -0.441 1.00 0.00 H new ATOM 446 N THR A 32 1.724 10.922 3.413 1.00 0.00 N ATOM 447 CA THR A 32 0.817 11.432 4.433 1.00 0.00 C ATOM 448 C THR A 32 -0.586 11.630 3.870 1.00 0.00 C ATOM 449 O THR A 32 -1.519 10.912 4.230 1.00 0.00 O ATOM 450 CB THR A 32 1.318 12.768 5.014 1.00 0.00 C ATOM 451 OG1 THR A 32 1.267 13.788 4.010 1.00 0.00 O ATOM 452 CG2 THR A 32 2.741 12.632 5.533 1.00 0.00 C ATOM 0 H THR A 32 1.677 11.415 2.521 1.00 0.00 H new ATOM 0 HA THR A 32 0.785 10.688 5.229 1.00 0.00 H new ATOM 0 HB THR A 32 0.669 13.044 5.845 1.00 0.00 H new ATOM 0 HG1 THR A 32 1.585 14.635 4.387 1.00 0.00 H new ATOM 0 HG21 THR A 32 3.073 13.588 5.938 1.00 0.00 H new ATOM 0 HG22 THR A 32 2.772 11.875 6.317 1.00 0.00 H new ATOM 0 HG23 THR A 32 3.399 12.336 4.716 1.00 0.00 H new ATOM 460 N THR A 33 -0.730 12.611 2.984 1.00 0.00 N ATOM 461 CA THR A 33 -2.020 12.903 2.372 1.00 0.00 C ATOM 462 C THR A 33 -2.233 12.072 1.112 1.00 0.00 C ATOM 463 O THR A 33 -2.866 12.523 0.158 1.00 0.00 O ATOM 464 CB THR A 33 -2.146 14.397 2.014 1.00 0.00 C ATOM 465 OG1 THR A 33 -1.143 14.757 1.057 1.00 0.00 O ATOM 466 CG2 THR A 33 -2.005 15.265 3.255 1.00 0.00 C ATOM 0 H THR A 33 0.031 13.216 2.675 1.00 0.00 H new ATOM 0 HA THR A 33 -2.783 12.646 3.107 1.00 0.00 H new ATOM 0 HB THR A 33 -3.134 14.563 1.585 1.00 0.00 H new ATOM 0 HG1 THR A 33 -0.586 13.976 0.857 1.00 0.00 H new ATOM 0 HG21 THR A 33 -2.097 16.315 2.977 1.00 0.00 H new ATOM 0 HG22 THR A 33 -2.787 15.008 3.969 1.00 0.00 H new ATOM 0 HG23 THR A 33 -1.029 15.095 3.709 1.00 0.00 H new ATOM 474 N SER A 34 -1.701 10.854 1.117 1.00 0.00 N ATOM 475 CA SER A 34 -1.830 9.959 -0.027 1.00 0.00 C ATOM 476 C SER A 34 -2.491 8.646 0.381 1.00 0.00 C ATOM 477 O SER A 34 -3.117 7.973 -0.438 1.00 0.00 O ATOM 478 CB SER A 34 -0.457 9.682 -0.643 1.00 0.00 C ATOM 479 OG SER A 34 -0.556 8.765 -1.719 1.00 0.00 O ATOM 0 H SER A 34 -1.177 10.464 1.900 1.00 0.00 H new ATOM 0 HA SER A 34 -2.461 10.448 -0.769 1.00 0.00 H new ATOM 0 HB2 SER A 34 -0.018 10.615 -0.996 1.00 0.00 H new ATOM 0 HB3 SER A 34 0.213 9.283 0.119 1.00 0.00 H new ATOM 0 HG SER A 34 0.103 8.049 -1.600 1.00 0.00 H new ATOM 485 N TRP A 35 -2.348 8.289 1.653 1.00 0.00 N ATOM 486 CA TRP A 35 -2.930 7.057 2.172 1.00 0.00 C ATOM 487 C TRP A 35 -4.035 7.359 3.178 1.00 0.00 C ATOM 488 O TRP A 35 -4.611 6.449 3.773 1.00 0.00 O ATOM 489 CB TRP A 35 -1.850 6.194 2.824 1.00 0.00 C ATOM 490 CG TRP A 35 -0.581 6.128 2.029 1.00 0.00 C ATOM 491 CD1 TRP A 35 0.413 7.064 1.995 1.00 0.00 C ATOM 492 CD2 TRP A 35 -0.172 5.073 1.154 1.00 0.00 C ATOM 493 NE1 TRP A 35 1.416 6.654 1.151 1.00 0.00 N ATOM 494 CE2 TRP A 35 1.082 5.435 0.622 1.00 0.00 C ATOM 495 CE3 TRP A 35 -0.740 3.856 0.768 1.00 0.00 C ATOM 496 CZ2 TRP A 35 1.773 4.624 -0.274 1.00 0.00 C ATOM 497 CZ3 TRP A 35 -0.053 3.052 -0.121 1.00 0.00 C ATOM 498 CH2 TRP A 35 1.193 3.438 -0.634 1.00 0.00 C ATOM 0 H TRP A 35 -1.834 8.836 2.344 1.00 0.00 H new ATOM 0 HA TRP A 35 -3.366 6.510 1.336 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -1.629 6.589 3.815 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -2.236 5.184 2.962 1.00 0.00 H new ATOM 0 HD1 TRP A 35 0.411 7.990 2.550 1.00 0.00 H new ATOM 0 HE1 TRP A 35 2.271 7.173 0.951 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -1.699 3.549 1.158 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 2.733 4.920 -0.671 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -0.484 2.110 -0.426 1.00 0.00 H new ATOM 0 HH2 TRP A 35 1.705 2.787 -1.327 1.00 0.00 H new ATOM 509 N ARG A 36 -4.325 8.643 3.365 1.00 0.00 N ATOM 510 CA ARG A 36 -5.360 9.064 4.302 1.00 0.00 C ATOM 511 C ARG A 36 -6.726 8.536 3.875 1.00 0.00 C ATOM 512 O ARG A 36 -7.512 8.077 4.705 1.00 0.00 O ATOM 513 CB ARG A 36 -5.398 10.591 4.399 1.00 0.00 C ATOM 514 CG ARG A 36 -6.553 11.118 5.235 1.00 0.00 C ATOM 515 CD ARG A 36 -7.784 11.382 4.379 1.00 0.00 C ATOM 516 NE ARG A 36 -7.543 12.418 3.379 1.00 0.00 N ATOM 517 CZ ARG A 36 -8.512 13.032 2.710 1.00 0.00 C ATOM 518 NH1 ARG A 36 -9.781 12.716 2.933 1.00 0.00 N ATOM 519 NH2 ARG A 36 -8.214 13.965 1.815 1.00 0.00 N ATOM 0 H ARG A 36 -3.858 9.409 2.880 1.00 0.00 H new ATOM 0 HA ARG A 36 -5.120 8.650 5.281 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -4.460 10.943 4.828 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -5.467 11.009 3.395 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -6.798 10.397 6.015 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -6.252 12.038 5.735 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -8.084 10.460 3.881 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -8.613 11.682 5.019 1.00 0.00 H new ATOM 0 HE ARG A 36 -6.578 12.685 3.184 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -10.015 11.999 3.620 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -10.523 13.190 2.417 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -7.240 14.211 1.640 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -8.959 14.436 1.302 1.00 0.00 H new ATOM 533 N ASP A 37 -7.002 8.605 2.578 1.00 0.00 N ATOM 534 CA ASP A 37 -8.274 8.134 2.041 1.00 0.00 C ATOM 535 C ASP A 37 -8.375 6.615 2.140 1.00 0.00 C ATOM 536 O ASP A 37 -9.256 6.084 2.816 1.00 0.00 O ATOM 537 CB ASP A 37 -8.431 8.574 0.585 1.00 0.00 C ATOM 538 CG ASP A 37 -9.381 7.682 -0.191 1.00 0.00 C ATOM 539 OD1 ASP A 37 -10.591 7.695 0.116 1.00 0.00 O ATOM 540 OD2 ASP A 37 -8.912 6.970 -1.103 1.00 0.00 O ATOM 0 H ASP A 37 -6.363 8.982 1.879 1.00 0.00 H new ATOM 0 HA ASP A 37 -9.076 8.573 2.634 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -8.796 9.601 0.556 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -7.455 8.569 0.100 1.00 0.00 H new ATOM 545 N GLY A 38 -7.468 5.920 1.460 1.00 0.00 N ATOM 546 CA GLY A 38 -7.474 4.469 1.483 1.00 0.00 C ATOM 547 C GLY A 38 -7.223 3.866 0.116 1.00 0.00 C ATOM 548 O GLY A 38 -6.445 2.921 -0.021 1.00 0.00 O ATOM 0 H GLY A 38 -6.729 6.336 0.893 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -6.711 4.117 2.178 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -8.435 4.119 1.860 1.00 0.00 H new ATOM 552 N LEU A 39 -7.886 4.410 -0.899 1.00 0.00 N ATOM 553 CA LEU A 39 -7.732 3.919 -2.265 1.00 0.00 C ATOM 554 C LEU A 39 -6.299 3.460 -2.521 1.00 0.00 C ATOM 555 O LEU A 39 -6.066 2.330 -2.946 1.00 0.00 O ATOM 556 CB LEU A 39 -8.117 5.008 -3.266 1.00 0.00 C ATOM 557 CG LEU A 39 -9.616 5.203 -3.502 1.00 0.00 C ATOM 558 CD1 LEU A 39 -9.869 6.463 -4.317 1.00 0.00 C ATOM 559 CD2 LEU A 39 -10.208 3.987 -4.200 1.00 0.00 C ATOM 0 H LEU A 39 -8.535 5.191 -0.802 1.00 0.00 H new ATOM 0 HA LEU A 39 -8.396 3.064 -2.394 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -7.697 5.954 -2.923 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -7.646 4.778 -4.222 1.00 0.00 H new ATOM 0 HG LEU A 39 -10.105 5.316 -2.534 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -10.941 6.585 -4.475 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -9.480 7.328 -3.780 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -9.367 6.380 -5.281 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -11.275 4.143 -4.360 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -9.714 3.843 -5.161 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -10.059 3.103 -3.580 1.00 0.00 H new ATOM 571 N ALA A 40 -5.345 4.345 -2.255 1.00 0.00 N ATOM 572 CA ALA A 40 -3.935 4.030 -2.453 1.00 0.00 C ATOM 573 C ALA A 40 -3.651 2.566 -2.140 1.00 0.00 C ATOM 574 O ALA A 40 -3.146 1.826 -2.985 1.00 0.00 O ATOM 575 CB ALA A 40 -3.067 4.934 -1.590 1.00 0.00 C ATOM 0 H ALA A 40 -5.522 5.285 -1.902 1.00 0.00 H new ATOM 0 HA ALA A 40 -3.693 4.204 -3.501 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -2.017 4.688 -1.747 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -3.241 5.975 -1.863 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -3.320 4.787 -0.540 1.00 0.00 H new ATOM 581 N PHE A 41 -3.977 2.151 -0.920 1.00 0.00 N ATOM 582 CA PHE A 41 -3.755 0.773 -0.496 1.00 0.00 C ATOM 583 C PHE A 41 -4.608 -0.192 -1.314 1.00 0.00 C ATOM 584 O PHE A 41 -4.162 -1.281 -1.670 1.00 0.00 O ATOM 585 CB PHE A 41 -4.076 0.619 0.993 1.00 0.00 C ATOM 586 CG PHE A 41 -3.054 1.251 1.894 1.00 0.00 C ATOM 587 CD1 PHE A 41 -1.736 0.825 1.876 1.00 0.00 C ATOM 588 CD2 PHE A 41 -3.412 2.271 2.761 1.00 0.00 C ATOM 589 CE1 PHE A 41 -0.793 1.405 2.704 1.00 0.00 C ATOM 590 CE2 PHE A 41 -2.474 2.855 3.592 1.00 0.00 C ATOM 591 CZ PHE A 41 -1.163 2.420 3.563 1.00 0.00 C ATOM 0 H PHE A 41 -4.396 2.749 -0.208 1.00 0.00 H new ATOM 0 HA PHE A 41 -2.705 0.532 -0.662 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -5.051 1.063 1.194 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -4.154 -0.442 1.232 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -1.441 0.030 1.207 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -4.436 2.614 2.788 1.00 0.00 H new ATOM 0 HE1 PHE A 41 0.232 1.064 2.679 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -2.766 3.650 4.263 1.00 0.00 H new ATOM 0 HZ PHE A 41 -0.428 2.874 4.212 1.00 0.00 H new ATOM 601 N ASN A 42 -5.839 0.218 -1.606 1.00 0.00 N ATOM 602 CA ASN A 42 -6.755 -0.611 -2.382 1.00 0.00 C ATOM 603 C ASN A 42 -6.366 -0.618 -3.857 1.00 0.00 C ATOM 604 O ASN A 42 -7.012 -1.271 -4.676 1.00 0.00 O ATOM 605 CB ASN A 42 -8.190 -0.106 -2.222 1.00 0.00 C ATOM 606 CG ASN A 42 -8.623 -0.042 -0.770 1.00 0.00 C ATOM 607 OD1 ASN A 42 -8.783 -1.070 -0.112 1.00 0.00 O ATOM 608 ND2 ASN A 42 -8.815 1.170 -0.264 1.00 0.00 N ATOM 0 H ASN A 42 -6.224 1.117 -1.318 1.00 0.00 H new ATOM 0 HA ASN A 42 -6.692 -1.632 -2.005 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -8.275 0.885 -2.667 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -8.866 -0.761 -2.771 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -9.107 1.277 0.707 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -8.670 1.995 -0.847 1.00 0.00 H new ATOM 615 N ALA A 43 -5.308 0.114 -4.188 1.00 0.00 N ATOM 616 CA ALA A 43 -4.832 0.190 -5.564 1.00 0.00 C ATOM 617 C ALA A 43 -3.653 -0.750 -5.790 1.00 0.00 C ATOM 618 O ALA A 43 -3.509 -1.332 -6.867 1.00 0.00 O ATOM 619 CB ALA A 43 -4.442 1.620 -5.909 1.00 0.00 C ATOM 0 H ALA A 43 -4.764 0.663 -3.522 1.00 0.00 H new ATOM 0 HA ALA A 43 -5.644 -0.123 -6.221 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -4.088 1.662 -6.939 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -5.309 2.271 -5.796 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -3.649 1.952 -5.239 1.00 0.00 H new ATOM 625 N ILE A 44 -2.814 -0.895 -4.771 1.00 0.00 N ATOM 626 CA ILE A 44 -1.648 -1.766 -4.860 1.00 0.00 C ATOM 627 C ILE A 44 -2.063 -3.229 -4.972 1.00 0.00 C ATOM 628 O ILE A 44 -1.570 -3.961 -5.830 1.00 0.00 O ATOM 629 CB ILE A 44 -0.725 -1.597 -3.638 1.00 0.00 C ATOM 630 CG1 ILE A 44 -0.250 -0.147 -3.527 1.00 0.00 C ATOM 631 CG2 ILE A 44 0.462 -2.543 -3.737 1.00 0.00 C ATOM 632 CD1 ILE A 44 0.414 0.171 -2.206 1.00 0.00 C ATOM 0 H ILE A 44 -2.919 -0.421 -3.874 1.00 0.00 H new ATOM 0 HA ILE A 44 -1.104 -1.475 -5.759 1.00 0.00 H new ATOM 0 HB ILE A 44 -1.288 -1.845 -2.738 1.00 0.00 H new ATOM 0 HG12 ILE A 44 0.451 0.060 -4.336 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -1.103 0.518 -3.665 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.105 -2.412 -2.867 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.105 -3.572 -3.773 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.028 -2.323 -4.642 1.00 0.00 H new ATOM 0 HD11 ILE A 44 0.725 1.216 -2.197 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -0.291 -0.004 -1.393 1.00 0.00 H new ATOM 0 HD13 ILE A 44 1.287 -0.469 -2.074 1.00 0.00 H new ATOM 644 N VAL A 45 -2.973 -3.649 -4.099 1.00 0.00 N ATOM 645 CA VAL A 45 -3.457 -5.025 -4.100 1.00 0.00 C ATOM 646 C VAL A 45 -4.189 -5.348 -5.398 1.00 0.00 C ATOM 647 O VAL A 45 -3.743 -6.183 -6.185 1.00 0.00 O ATOM 648 CB VAL A 45 -4.399 -5.290 -2.912 1.00 0.00 C ATOM 649 CG1 VAL A 45 -4.931 -6.714 -2.960 1.00 0.00 C ATOM 650 CG2 VAL A 45 -3.684 -5.023 -1.596 1.00 0.00 C ATOM 0 H VAL A 45 -3.390 -3.056 -3.382 1.00 0.00 H new ATOM 0 HA VAL A 45 -2.582 -5.669 -4.009 1.00 0.00 H new ATOM 0 HB VAL A 45 -5.247 -4.609 -2.983 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -5.595 -6.883 -2.112 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -5.482 -6.866 -3.888 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -4.098 -7.415 -2.914 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -4.365 -5.215 -0.767 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -2.817 -5.678 -1.513 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -3.357 -3.984 -1.564 1.00 0.00 H new ATOM 660 N HIS A 46 -5.318 -4.679 -5.615 1.00 0.00 N ATOM 661 CA HIS A 46 -6.114 -4.895 -6.819 1.00 0.00 C ATOM 662 C HIS A 46 -5.216 -5.164 -8.023 1.00 0.00 C ATOM 663 O HIS A 46 -5.545 -5.978 -8.887 1.00 0.00 O ATOM 664 CB HIS A 46 -7.002 -3.681 -7.092 1.00 0.00 C ATOM 665 CG HIS A 46 -7.822 -3.807 -8.339 1.00 0.00 C ATOM 666 ND1 HIS A 46 -7.339 -3.494 -9.593 1.00 0.00 N ATOM 667 CD2 HIS A 46 -9.099 -4.218 -8.522 1.00 0.00 C ATOM 668 CE1 HIS A 46 -8.285 -3.704 -10.491 1.00 0.00 C ATOM 669 NE2 HIS A 46 -9.363 -4.144 -9.867 1.00 0.00 N ATOM 0 H HIS A 46 -5.701 -3.984 -4.974 1.00 0.00 H new ATOM 0 HA HIS A 46 -6.745 -5.769 -6.656 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -7.668 -3.530 -6.243 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -6.375 -2.792 -7.167 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -9.783 -4.544 -7.752 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -8.193 -3.543 -11.555 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -10.247 -4.389 -10.312 1.00 0.00 H new ATOM 678 N LYS A 47 -4.082 -4.475 -8.074 1.00 0.00 N ATOM 679 CA LYS A 47 -3.135 -4.639 -9.172 1.00 0.00 C ATOM 680 C LYS A 47 -2.613 -6.071 -9.231 1.00 0.00 C ATOM 681 O LYS A 47 -2.562 -6.680 -10.299 1.00 0.00 O ATOM 682 CB LYS A 47 -1.965 -3.665 -9.013 1.00 0.00 C ATOM 683 CG LYS A 47 -1.043 -3.621 -10.219 1.00 0.00 C ATOM 684 CD LYS A 47 -1.497 -2.582 -11.230 1.00 0.00 C ATOM 685 CE LYS A 47 -0.352 -2.141 -12.129 1.00 0.00 C ATOM 686 NZ LYS A 47 0.140 -3.255 -12.987 1.00 0.00 N ATOM 0 H LYS A 47 -3.795 -3.797 -7.368 1.00 0.00 H new ATOM 0 HA LYS A 47 -3.657 -4.422 -10.104 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -2.358 -2.665 -8.830 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -1.386 -3.946 -8.133 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -0.028 -3.394 -9.894 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -1.014 -4.602 -10.692 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -2.302 -2.993 -11.839 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -1.904 -1.717 -10.706 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -0.682 -1.316 -12.760 1.00 0.00 H new ATOM 0 HE3 LYS A 47 0.467 -1.766 -11.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 0.909 -2.910 -13.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 0.495 -4.026 -12.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -0.639 -3.608 -13.578 1.00 0.00 H new ATOM 700 N HIS A 48 -2.229 -6.604 -8.075 1.00 0.00 N ATOM 701 CA HIS A 48 -1.713 -7.966 -7.996 1.00 0.00 C ATOM 702 C HIS A 48 -2.852 -8.981 -8.027 1.00 0.00 C ATOM 703 O HIS A 48 -2.781 -9.988 -8.732 1.00 0.00 O ATOM 704 CB HIS A 48 -0.888 -8.148 -6.722 1.00 0.00 C ATOM 705 CG HIS A 48 0.054 -7.016 -6.452 1.00 0.00 C ATOM 706 ND1 HIS A 48 0.211 -6.237 -5.356 1.00 0.00 N flip ATOM 707 CD2 HIS A 48 0.977 -6.568 -7.374 1.00 0.00 C flip ATOM 708 CE1 HIS A 48 1.217 -5.343 -5.632 1.00 0.00 C flip ATOM 709 NE2 HIS A 48 1.662 -5.564 -6.856 1.00 0.00 N flip ATOM 0 H HIS A 48 -2.265 -6.114 -7.181 1.00 0.00 H new ATOM 0 HA HIS A 48 -1.073 -8.137 -8.862 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -1.564 -8.258 -5.874 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -0.318 -9.074 -6.797 1.00 0.00 H new ATOM 0 HD1 HIS A 48 -0.319 -6.302 -4.487 1.00 0.00 H new ATOM 0 HD2 HIS A 48 1.118 -6.974 -8.365 1.00 0.00 H new ATOM 0 HE1 HIS A 48 1.584 -4.583 -4.958 1.00 0.00 H new ATOM 718 N ARG A 49 -3.902 -8.709 -7.259 1.00 0.00 N ATOM 719 CA ARG A 49 -5.055 -9.599 -7.198 1.00 0.00 C ATOM 720 C ARG A 49 -6.355 -8.815 -7.351 1.00 0.00 C ATOM 721 O ARG A 49 -6.962 -8.375 -6.374 1.00 0.00 O ATOM 722 CB ARG A 49 -5.063 -10.367 -5.874 1.00 0.00 C ATOM 723 CG ARG A 49 -3.726 -11.004 -5.532 1.00 0.00 C ATOM 724 CD ARG A 49 -3.602 -12.396 -6.132 1.00 0.00 C ATOM 725 NE ARG A 49 -4.581 -13.323 -5.571 1.00 0.00 N ATOM 726 CZ ARG A 49 -4.563 -14.633 -5.790 1.00 0.00 C ATOM 727 NH1 ARG A 49 -3.619 -15.168 -6.554 1.00 0.00 N ATOM 728 NH2 ARG A 49 -5.488 -15.412 -5.244 1.00 0.00 N ATOM 0 H ARG A 49 -3.978 -7.879 -6.670 1.00 0.00 H new ATOM 0 HA ARG A 49 -4.979 -10.309 -8.022 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -5.348 -9.687 -5.071 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -5.826 -11.145 -5.919 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -2.917 -10.374 -5.901 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -3.616 -11.062 -4.449 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -3.735 -12.338 -7.212 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -2.597 -12.779 -5.955 1.00 0.00 H new ATOM 0 HE ARG A 49 -5.319 -12.944 -4.978 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -2.905 -14.573 -6.974 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -3.607 -16.174 -6.721 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -6.215 -15.005 -4.655 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -5.473 -16.418 -5.413 1.00 0.00 H new ATOM 742 N PRO A 50 -6.794 -8.636 -8.606 1.00 0.00 N ATOM 743 CA PRO A 50 -8.026 -7.906 -8.917 1.00 0.00 C ATOM 744 C PRO A 50 -9.275 -8.666 -8.485 1.00 0.00 C ATOM 745 O PRO A 50 -10.398 -8.218 -8.719 1.00 0.00 O ATOM 746 CB PRO A 50 -7.983 -7.771 -10.441 1.00 0.00 C ATOM 747 CG PRO A 50 -7.142 -8.912 -10.898 1.00 0.00 C ATOM 748 CD PRO A 50 -6.121 -9.134 -9.817 1.00 0.00 C ATOM 0 HA PRO A 50 -8.078 -6.952 -8.392 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -8.983 -7.819 -10.871 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -7.552 -6.816 -10.742 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -7.747 -9.805 -11.052 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -6.660 -8.685 -11.849 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -5.855 -10.187 -9.725 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -5.199 -8.589 -10.017 1.00 0.00 H new ATOM 756 N ASP A 51 -9.073 -9.815 -7.851 1.00 0.00 N ATOM 757 CA ASP A 51 -10.184 -10.637 -7.384 1.00 0.00 C ATOM 758 C ASP A 51 -10.575 -10.262 -5.959 1.00 0.00 C ATOM 759 O ASP A 51 -11.757 -10.108 -5.648 1.00 0.00 O ATOM 760 CB ASP A 51 -9.814 -12.120 -7.452 1.00 0.00 C ATOM 761 CG ASP A 51 -8.969 -12.451 -8.666 1.00 0.00 C ATOM 762 OD1 ASP A 51 -9.485 -12.337 -9.797 1.00 0.00 O ATOM 763 OD2 ASP A 51 -7.790 -12.823 -8.485 1.00 0.00 O ATOM 0 H ASP A 51 -8.150 -10.199 -7.648 1.00 0.00 H new ATOM 0 HA ASP A 51 -11.038 -10.454 -8.036 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -9.271 -12.398 -6.549 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -10.725 -12.718 -7.473 1.00 0.00 H new ATOM 768 N LEU A 52 -9.577 -10.117 -5.095 1.00 0.00 N ATOM 769 CA LEU A 52 -9.815 -9.761 -3.701 1.00 0.00 C ATOM 770 C LEU A 52 -10.885 -8.677 -3.592 1.00 0.00 C ATOM 771 O LEU A 52 -11.956 -8.902 -3.026 1.00 0.00 O ATOM 772 CB LEU A 52 -8.519 -9.282 -3.046 1.00 0.00 C ATOM 773 CG LEU A 52 -7.353 -10.271 -3.063 1.00 0.00 C ATOM 774 CD1 LEU A 52 -6.166 -9.709 -2.296 1.00 0.00 C ATOM 775 CD2 LEU A 52 -7.782 -11.610 -2.479 1.00 0.00 C ATOM 0 H LEU A 52 -8.594 -10.241 -5.336 1.00 0.00 H new ATOM 0 HA LEU A 52 -10.169 -10.651 -3.180 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -8.200 -8.367 -3.545 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -8.734 -9.022 -2.009 1.00 0.00 H new ATOM 0 HG LEU A 52 -7.049 -10.429 -4.098 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -5.346 -10.426 -2.319 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -5.844 -8.775 -2.757 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -6.456 -9.522 -1.262 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -6.940 -12.302 -2.499 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -8.112 -11.469 -1.450 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -8.602 -12.019 -3.070 1.00 0.00 H new ATOM 787 N LEU A 53 -10.588 -7.503 -4.137 1.00 0.00 N ATOM 788 CA LEU A 53 -11.524 -6.386 -4.103 1.00 0.00 C ATOM 789 C LEU A 53 -11.840 -5.897 -5.513 1.00 0.00 C ATOM 790 O LEU A 53 -11.135 -6.226 -6.468 1.00 0.00 O ATOM 791 CB LEU A 53 -10.949 -5.238 -3.271 1.00 0.00 C ATOM 792 CG LEU A 53 -9.717 -4.542 -3.849 1.00 0.00 C ATOM 793 CD1 LEU A 53 -9.470 -3.218 -3.140 1.00 0.00 C ATOM 794 CD2 LEU A 53 -8.495 -5.442 -3.741 1.00 0.00 C ATOM 0 H LEU A 53 -9.706 -7.300 -4.608 1.00 0.00 H new ATOM 0 HA LEU A 53 -12.449 -6.733 -3.642 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -11.730 -4.491 -3.130 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -10.694 -5.623 -2.284 1.00 0.00 H new ATOM 0 HG LEU A 53 -9.901 -4.338 -4.904 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -8.589 -2.737 -3.565 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -10.336 -2.569 -3.269 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -9.308 -3.399 -2.077 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -7.628 -4.930 -4.158 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -8.308 -5.678 -2.693 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -8.672 -6.364 -4.295 1.00 0.00 H new ATOM 806 N ASP A 54 -12.902 -5.108 -5.636 1.00 0.00 N ATOM 807 CA ASP A 54 -13.310 -4.571 -6.929 1.00 0.00 C ATOM 808 C ASP A 54 -13.192 -3.050 -6.948 1.00 0.00 C ATOM 809 O ASP A 54 -14.163 -2.338 -6.688 1.00 0.00 O ATOM 810 CB ASP A 54 -14.746 -4.988 -7.248 1.00 0.00 C ATOM 811 CG ASP A 54 -14.887 -6.486 -7.432 1.00 0.00 C ATOM 812 OD1 ASP A 54 -14.034 -7.082 -8.123 1.00 0.00 O ATOM 813 OD2 ASP A 54 -15.850 -7.062 -6.886 1.00 0.00 O ATOM 0 H ASP A 54 -13.496 -4.826 -4.856 1.00 0.00 H new ATOM 0 HA ASP A 54 -12.644 -4.978 -7.690 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -15.404 -4.660 -6.443 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -15.075 -4.481 -8.155 1.00 0.00 H new ATOM 818 N PHE A 55 -11.997 -2.557 -7.255 1.00 0.00 N ATOM 819 CA PHE A 55 -11.751 -1.121 -7.304 1.00 0.00 C ATOM 820 C PHE A 55 -12.910 -0.394 -7.981 1.00 0.00 C ATOM 821 O PHE A 55 -13.332 0.672 -7.533 1.00 0.00 O ATOM 822 CB PHE A 55 -10.447 -0.831 -8.052 1.00 0.00 C ATOM 823 CG PHE A 55 -9.755 0.419 -7.585 1.00 0.00 C ATOM 824 CD1 PHE A 55 -8.950 0.400 -6.456 1.00 0.00 C ATOM 825 CD2 PHE A 55 -9.909 1.610 -8.275 1.00 0.00 C ATOM 826 CE1 PHE A 55 -8.312 1.548 -6.025 1.00 0.00 C ATOM 827 CE2 PHE A 55 -9.272 2.760 -7.848 1.00 0.00 C ATOM 828 CZ PHE A 55 -8.473 2.729 -6.721 1.00 0.00 C ATOM 0 H PHE A 55 -11.183 -3.132 -7.474 1.00 0.00 H new ATOM 0 HA PHE A 55 -11.664 -0.757 -6.280 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -9.772 -1.678 -7.931 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -10.660 -0.743 -9.117 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -8.820 -0.521 -5.908 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -10.533 1.640 -9.156 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -7.688 1.521 -5.144 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -9.399 3.683 -8.395 1.00 0.00 H new ATOM 0 HZ PHE A 55 -7.976 3.627 -6.385 1.00 0.00 H new ATOM 838 N GLU A 56 -13.418 -0.980 -9.060 1.00 0.00 N ATOM 839 CA GLU A 56 -14.528 -0.387 -9.799 1.00 0.00 C ATOM 840 C GLU A 56 -15.725 -0.149 -8.883 1.00 0.00 C ATOM 841 O GLU A 56 -16.414 0.865 -8.996 1.00 0.00 O ATOM 842 CB GLU A 56 -14.935 -1.292 -10.964 1.00 0.00 C ATOM 843 CG GLU A 56 -14.111 -1.071 -12.222 1.00 0.00 C ATOM 844 CD GLU A 56 -14.385 0.271 -12.872 1.00 0.00 C ATOM 845 OE1 GLU A 56 -15.450 0.414 -13.507 1.00 0.00 O ATOM 846 OE2 GLU A 56 -13.535 1.177 -12.745 1.00 0.00 O ATOM 0 H GLU A 56 -13.080 -1.863 -9.442 1.00 0.00 H new ATOM 0 HA GLU A 56 -14.197 0.574 -10.193 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -14.839 -2.333 -10.655 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -15.987 -1.123 -11.194 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -13.052 -1.141 -11.975 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -14.325 -1.866 -12.936 1.00 0.00 H new ATOM 853 N SER A 57 -15.967 -1.091 -7.977 1.00 0.00 N ATOM 854 CA SER A 57 -17.083 -0.986 -7.045 1.00 0.00 C ATOM 855 C SER A 57 -16.783 0.034 -5.951 1.00 0.00 C ATOM 856 O SER A 57 -17.670 0.763 -5.506 1.00 0.00 O ATOM 857 CB SER A 57 -17.381 -2.350 -6.418 1.00 0.00 C ATOM 858 OG SER A 57 -18.049 -3.198 -7.337 1.00 0.00 O ATOM 0 H SER A 57 -15.405 -1.935 -7.869 1.00 0.00 H new ATOM 0 HA SER A 57 -17.958 -0.650 -7.601 1.00 0.00 H new ATOM 0 HB2 SER A 57 -16.450 -2.818 -6.097 1.00 0.00 H new ATOM 0 HB3 SER A 57 -17.995 -2.218 -5.527 1.00 0.00 H new ATOM 0 HG SER A 57 -18.227 -4.064 -6.914 1.00 0.00 H new ATOM 864 N LEU A 58 -15.527 0.080 -5.521 1.00 0.00 N ATOM 865 CA LEU A 58 -15.108 1.010 -4.479 1.00 0.00 C ATOM 866 C LEU A 58 -15.412 2.450 -4.881 1.00 0.00 C ATOM 867 O LEU A 58 -15.534 2.764 -6.065 1.00 0.00 O ATOM 868 CB LEU A 58 -13.613 0.853 -4.198 1.00 0.00 C ATOM 869 CG LEU A 58 -13.154 -0.542 -3.769 1.00 0.00 C ATOM 870 CD1 LEU A 58 -11.639 -0.593 -3.655 1.00 0.00 C ATOM 871 CD2 LEU A 58 -13.804 -0.934 -2.450 1.00 0.00 C ATOM 0 H LEU A 58 -14.781 -0.516 -5.878 1.00 0.00 H new ATOM 0 HA LEU A 58 -15.668 0.778 -3.573 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -13.063 1.134 -5.096 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -13.334 1.561 -3.418 1.00 0.00 H new ATOM 0 HG LEU A 58 -13.464 -1.257 -4.531 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -11.331 -1.593 -3.349 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -11.193 -0.356 -4.621 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -11.305 0.133 -2.913 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -13.467 -1.929 -2.160 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -13.524 -0.216 -1.679 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -14.888 -0.938 -2.565 1.00 0.00 H new ATOM 883 N LYS A 59 -15.533 3.324 -3.886 1.00 0.00 N ATOM 884 CA LYS A 59 -15.819 4.732 -4.135 1.00 0.00 C ATOM 885 C LYS A 59 -14.729 5.621 -3.543 1.00 0.00 C ATOM 886 O LYS A 59 -14.082 5.257 -2.562 1.00 0.00 O ATOM 887 CB LYS A 59 -17.178 5.109 -3.541 1.00 0.00 C ATOM 888 CG LYS A 59 -17.804 6.334 -4.185 1.00 0.00 C ATOM 889 CD LYS A 59 -18.488 5.985 -5.497 1.00 0.00 C ATOM 890 CE LYS A 59 -19.889 5.438 -5.267 1.00 0.00 C ATOM 891 NZ LYS A 59 -19.880 3.964 -5.054 1.00 0.00 N ATOM 0 H LYS A 59 -15.437 3.081 -2.900 1.00 0.00 H new ATOM 0 HA LYS A 59 -15.844 4.888 -5.214 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -17.859 4.265 -3.648 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -17.061 5.290 -2.473 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -18.529 6.775 -3.501 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -17.035 7.086 -4.363 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -18.542 6.872 -6.128 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -17.892 5.247 -6.034 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -20.332 5.928 -4.400 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -20.518 5.677 -6.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -20.719 3.543 -5.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -19.021 3.557 -5.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -19.894 3.761 -4.034 1.00 0.00 H new ATOM 905 N LYS A 60 -14.533 6.788 -4.146 1.00 0.00 N ATOM 906 CA LYS A 60 -13.524 7.732 -3.678 1.00 0.00 C ATOM 907 C LYS A 60 -14.114 8.697 -2.656 1.00 0.00 C ATOM 908 O LYS A 60 -13.776 9.881 -2.639 1.00 0.00 O ATOM 909 CB LYS A 60 -12.942 8.514 -4.858 1.00 0.00 C ATOM 910 CG LYS A 60 -13.980 8.921 -5.890 1.00 0.00 C ATOM 911 CD LYS A 60 -14.143 7.861 -6.965 1.00 0.00 C ATOM 912 CE LYS A 60 -13.194 8.096 -8.130 1.00 0.00 C ATOM 913 NZ LYS A 60 -13.554 9.319 -8.900 1.00 0.00 N ATOM 0 H LYS A 60 -15.060 7.104 -4.961 1.00 0.00 H new ATOM 0 HA LYS A 60 -12.727 7.165 -3.197 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -12.447 9.409 -4.481 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -12.178 7.907 -5.344 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -14.937 9.091 -5.397 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -13.687 9.865 -6.350 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -13.958 6.876 -6.537 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -15.171 7.863 -7.326 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -12.175 8.190 -7.755 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -13.212 7.231 -8.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -13.171 9.248 -9.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -14.589 9.409 -8.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -13.154 10.156 -8.429 1.00 0.00 H new ATOM 927 N CYS A 61 -14.995 8.184 -1.805 1.00 0.00 N ATOM 928 CA CYS A 61 -15.632 9.001 -0.778 1.00 0.00 C ATOM 929 C CYS A 61 -15.373 8.429 0.611 1.00 0.00 C ATOM 930 O CYS A 61 -14.808 9.099 1.474 1.00 0.00 O ATOM 931 CB CYS A 61 -17.137 9.095 -1.032 1.00 0.00 C ATOM 932 SG CYS A 61 -18.010 10.196 0.105 1.00 0.00 S ATOM 0 H CYS A 61 -15.285 7.206 -1.806 1.00 0.00 H new ATOM 0 HA CYS A 61 -15.200 10.001 -0.825 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -17.301 9.440 -2.053 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -17.570 8.097 -0.959 1.00 0.00 H new ATOM 0 HG CYS A 61 -19.276 10.211 -0.191 1.00 0.00 H new ATOM 938 N ASN A 62 -15.791 7.184 0.819 1.00 0.00 N ATOM 939 CA ASN A 62 -15.607 6.522 2.106 1.00 0.00 C ATOM 940 C ASN A 62 -14.156 6.089 2.291 1.00 0.00 C ATOM 941 O ASN A 62 -13.569 5.457 1.414 1.00 0.00 O ATOM 942 CB ASN A 62 -16.531 5.306 2.214 1.00 0.00 C ATOM 943 CG ASN A 62 -16.946 5.021 3.645 1.00 0.00 C ATOM 944 OD1 ASN A 62 -16.849 3.888 4.116 1.00 0.00 O ATOM 945 ND2 ASN A 62 -17.410 6.051 4.343 1.00 0.00 N ATOM 0 H ASN A 62 -16.259 6.614 0.114 1.00 0.00 H new ATOM 0 HA ASN A 62 -15.859 7.233 2.892 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -17.421 5.474 1.607 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -16.026 4.432 1.804 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -17.704 5.920 5.311 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -17.473 6.973 3.911 1.00 0.00 H new ATOM 952 N ALA A 63 -13.583 6.433 3.440 1.00 0.00 N ATOM 953 CA ALA A 63 -12.202 6.079 3.742 1.00 0.00 C ATOM 954 C ALA A 63 -12.132 5.043 4.859 1.00 0.00 C ATOM 955 O ALA A 63 -11.546 3.974 4.692 1.00 0.00 O ATOM 956 CB ALA A 63 -11.410 7.321 4.121 1.00 0.00 C ATOM 0 H ALA A 63 -14.055 6.957 4.177 1.00 0.00 H new ATOM 0 HA ALA A 63 -11.762 5.640 2.847 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -10.380 7.042 4.344 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -11.423 8.028 3.291 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -11.859 7.785 5.000 1.00 0.00 H new ATOM 962 N HIS A 64 -12.735 5.368 5.999 1.00 0.00 N ATOM 963 CA HIS A 64 -12.742 4.465 7.144 1.00 0.00 C ATOM 964 C HIS A 64 -12.859 3.013 6.690 1.00 0.00 C ATOM 965 O HIS A 64 -12.177 2.131 7.215 1.00 0.00 O ATOM 966 CB HIS A 64 -13.894 4.812 8.087 1.00 0.00 C ATOM 967 CG HIS A 64 -13.673 4.354 9.496 1.00 0.00 C ATOM 968 ND1 HIS A 64 -12.788 3.351 9.832 1.00 0.00 N ATOM 969 CD2 HIS A 64 -14.227 4.770 10.659 1.00 0.00 C ATOM 970 CE1 HIS A 64 -12.809 3.169 11.141 1.00 0.00 C ATOM 971 NE2 HIS A 64 -13.674 4.017 11.666 1.00 0.00 N ATOM 0 H HIS A 64 -13.225 6.249 6.154 1.00 0.00 H new ATOM 0 HA HIS A 64 -11.799 4.585 7.676 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -14.043 5.892 8.084 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -14.812 4.363 7.707 1.00 0.00 H new ATOM 0 HD1 HIS A 64 -12.208 2.831 9.173 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -14.966 5.549 10.774 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -12.219 2.449 11.688 1.00 0.00 H new ATOM 980 N TYR A 65 -13.727 2.771 5.715 1.00 0.00 N ATOM 981 CA TYR A 65 -13.936 1.426 5.193 1.00 0.00 C ATOM 982 C TYR A 65 -12.821 1.036 4.228 1.00 0.00 C ATOM 983 O TYR A 65 -12.127 0.041 4.433 1.00 0.00 O ATOM 984 CB TYR A 65 -15.290 1.334 4.488 1.00 0.00 C ATOM 985 CG TYR A 65 -15.422 0.129 3.585 1.00 0.00 C ATOM 986 CD1 TYR A 65 -15.852 -1.095 4.084 1.00 0.00 C ATOM 987 CD2 TYR A 65 -15.116 0.213 2.232 1.00 0.00 C ATOM 988 CE1 TYR A 65 -15.973 -2.199 3.263 1.00 0.00 C ATOM 989 CE2 TYR A 65 -15.236 -0.885 1.403 1.00 0.00 C ATOM 990 CZ TYR A 65 -15.665 -2.089 1.923 1.00 0.00 C ATOM 991 OH TYR A 65 -15.784 -3.186 1.100 1.00 0.00 O ATOM 0 H TYR A 65 -14.298 3.489 5.270 1.00 0.00 H new ATOM 0 HA TYR A 65 -13.923 0.732 6.034 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -16.080 1.303 5.239 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -15.446 2.238 3.899 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -16.096 -1.184 5.132 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -14.778 1.153 1.822 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -16.307 -3.143 3.668 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -14.995 -0.802 0.353 1.00 0.00 H new ATOM 0 HH TYR A 65 -15.530 -2.939 0.186 1.00 0.00 H new ATOM 1001 N ASN A 66 -12.653 1.831 3.176 1.00 0.00 N ATOM 1002 CA ASN A 66 -11.622 1.570 2.178 1.00 0.00 C ATOM 1003 C ASN A 66 -10.292 1.234 2.845 1.00 0.00 C ATOM 1004 O ASN A 66 -9.468 0.510 2.285 1.00 0.00 O ATOM 1005 CB ASN A 66 -11.453 2.783 1.261 1.00 0.00 C ATOM 1006 CG ASN A 66 -12.475 2.807 0.140 1.00 0.00 C ATOM 1007 OD1 ASN A 66 -13.291 1.894 0.009 1.00 0.00 O ATOM 1008 ND2 ASN A 66 -12.435 3.855 -0.674 1.00 0.00 N ATOM 0 H ASN A 66 -13.217 2.661 2.993 1.00 0.00 H new ATOM 0 HA ASN A 66 -11.936 0.713 1.582 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -11.542 3.696 1.850 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -10.450 2.776 0.835 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -13.098 3.927 -1.446 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -11.741 4.588 -0.528 1.00 0.00 H new ATOM 1015 N LEU A 67 -10.088 1.765 4.046 1.00 0.00 N ATOM 1016 CA LEU A 67 -8.858 1.522 4.792 1.00 0.00 C ATOM 1017 C LEU A 67 -8.888 0.151 5.459 1.00 0.00 C ATOM 1018 O LEU A 67 -8.051 -0.706 5.177 1.00 0.00 O ATOM 1019 CB LEU A 67 -8.654 2.611 5.846 1.00 0.00 C ATOM 1020 CG LEU A 67 -8.223 3.982 5.321 1.00 0.00 C ATOM 1021 CD1 LEU A 67 -8.563 5.070 6.328 1.00 0.00 C ATOM 1022 CD2 LEU A 67 -6.734 3.989 5.007 1.00 0.00 C ATOM 0 H LEU A 67 -10.759 2.367 4.524 1.00 0.00 H new ATOM 0 HA LEU A 67 -8.025 1.545 4.089 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -9.585 2.732 6.399 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -7.904 2.264 6.557 1.00 0.00 H new ATOM 0 HG LEU A 67 -8.769 4.185 4.400 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -8.249 6.038 5.938 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -9.639 5.081 6.503 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -8.045 4.872 7.266 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -6.445 4.972 4.635 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -6.170 3.764 5.912 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -6.519 3.236 4.249 1.00 0.00 H new ATOM 1034 N GLN A 68 -9.859 -0.049 6.343 1.00 0.00 N ATOM 1035 CA GLN A 68 -9.999 -1.318 7.050 1.00 0.00 C ATOM 1036 C GLN A 68 -10.022 -2.486 6.071 1.00 0.00 C ATOM 1037 O GLN A 68 -9.393 -3.517 6.306 1.00 0.00 O ATOM 1038 CB GLN A 68 -11.275 -1.318 7.893 1.00 0.00 C ATOM 1039 CG GLN A 68 -12.507 -1.777 7.131 1.00 0.00 C ATOM 1040 CD GLN A 68 -13.717 -1.954 8.028 1.00 0.00 C ATOM 1041 OE1 GLN A 68 -13.593 -2.016 9.251 1.00 0.00 O ATOM 1042 NE2 GLN A 68 -14.897 -2.036 7.423 1.00 0.00 N ATOM 0 H GLN A 68 -10.560 0.650 6.587 1.00 0.00 H new ATOM 0 HA GLN A 68 -9.138 -1.436 7.708 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -11.130 -1.967 8.757 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -11.448 -0.312 8.275 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -12.740 -1.050 6.353 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -12.289 -2.721 6.631 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -14.954 -1.980 6.406 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -15.746 -2.155 7.975 1.00 0.00 H new ATOM 1051 N ASN A 69 -10.751 -2.317 4.972 1.00 0.00 N ATOM 1052 CA ASN A 69 -10.857 -3.360 3.958 1.00 0.00 C ATOM 1053 C ASN A 69 -9.480 -3.739 3.422 1.00 0.00 C ATOM 1054 O ASN A 69 -9.128 -4.917 3.365 1.00 0.00 O ATOM 1055 CB ASN A 69 -11.752 -2.893 2.808 1.00 0.00 C ATOM 1056 CG ASN A 69 -12.128 -4.024 1.872 1.00 0.00 C ATOM 1057 OD1 ASN A 69 -12.855 -4.943 2.251 1.00 0.00 O ATOM 1058 ND2 ASN A 69 -11.634 -3.963 0.641 1.00 0.00 N ATOM 0 H ASN A 69 -11.276 -1.469 4.761 1.00 0.00 H new ATOM 0 HA ASN A 69 -11.302 -4.240 4.423 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -12.659 -2.446 3.216 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -11.238 -2.114 2.244 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -11.853 -4.696 -0.033 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -11.036 -3.183 0.370 1.00 0.00 H new ATOM 1065 N ALA A 70 -8.704 -2.732 3.033 1.00 0.00 N ATOM 1066 CA ALA A 70 -7.365 -2.960 2.505 1.00 0.00 C ATOM 1067 C ALA A 70 -6.469 -3.620 3.548 1.00 0.00 C ATOM 1068 O ALA A 70 -5.813 -4.624 3.270 1.00 0.00 O ATOM 1069 CB ALA A 70 -6.754 -1.649 2.034 1.00 0.00 C ATOM 0 H ALA A 70 -8.980 -1.751 3.074 1.00 0.00 H new ATOM 0 HA ALA A 70 -7.446 -3.636 1.654 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -5.754 -1.834 1.642 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -7.377 -1.218 1.250 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -6.693 -0.954 2.872 1.00 0.00 H new ATOM 1075 N PHE A 71 -6.445 -3.049 4.747 1.00 0.00 N ATOM 1076 CA PHE A 71 -5.627 -3.581 5.831 1.00 0.00 C ATOM 1077 C PHE A 71 -6.027 -5.017 6.158 1.00 0.00 C ATOM 1078 O PHE A 71 -5.175 -5.864 6.423 1.00 0.00 O ATOM 1079 CB PHE A 71 -5.763 -2.705 7.078 1.00 0.00 C ATOM 1080 CG PHE A 71 -5.178 -1.331 6.912 1.00 0.00 C ATOM 1081 CD1 PHE A 71 -3.884 -1.168 6.446 1.00 0.00 C ATOM 1082 CD2 PHE A 71 -5.923 -0.204 7.222 1.00 0.00 C ATOM 1083 CE1 PHE A 71 -3.342 0.096 6.293 1.00 0.00 C ATOM 1084 CE2 PHE A 71 -5.387 1.061 7.071 1.00 0.00 C ATOM 1085 CZ PHE A 71 -4.095 1.211 6.604 1.00 0.00 C ATOM 0 H PHE A 71 -6.982 -2.218 4.993 1.00 0.00 H new ATOM 0 HA PHE A 71 -4.587 -3.577 5.505 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -6.818 -2.613 7.335 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -5.273 -3.201 7.916 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -3.292 -2.037 6.199 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -6.934 -0.316 7.586 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -2.331 0.210 5.931 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -5.977 1.931 7.318 1.00 0.00 H new ATOM 0 HZ PHE A 71 -3.675 2.199 6.482 1.00 0.00 H new ATOM 1095 N ASN A 72 -7.328 -5.282 6.139 1.00 0.00 N ATOM 1096 CA ASN A 72 -7.842 -6.615 6.436 1.00 0.00 C ATOM 1097 C ASN A 72 -7.512 -7.587 5.308 1.00 0.00 C ATOM 1098 O ASN A 72 -6.798 -8.570 5.510 1.00 0.00 O ATOM 1099 CB ASN A 72 -9.356 -6.564 6.655 1.00 0.00 C ATOM 1100 CG ASN A 72 -9.731 -5.824 7.924 1.00 0.00 C ATOM 1101 OD1 ASN A 72 -9.146 -6.047 8.983 1.00 0.00 O ATOM 1102 ND2 ASN A 72 -10.715 -4.936 7.821 1.00 0.00 N ATOM 0 H ASN A 72 -8.047 -4.592 5.921 1.00 0.00 H new ATOM 0 HA ASN A 72 -7.362 -6.968 7.349 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -9.828 -6.078 5.801 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -9.748 -7.580 6.700 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -11.013 -4.407 8.641 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -11.172 -4.783 6.922 1.00 0.00 H new ATOM 1109 N LEU A 73 -8.036 -7.307 4.120 1.00 0.00 N ATOM 1110 CA LEU A 73 -7.798 -8.157 2.958 1.00 0.00 C ATOM 1111 C LEU A 73 -6.352 -8.642 2.927 1.00 0.00 C ATOM 1112 O LEU A 73 -6.089 -9.827 2.724 1.00 0.00 O ATOM 1113 CB LEU A 73 -8.122 -7.397 1.671 1.00 0.00 C ATOM 1114 CG LEU A 73 -9.573 -7.472 1.194 1.00 0.00 C ATOM 1115 CD1 LEU A 73 -9.814 -6.485 0.063 1.00 0.00 C ATOM 1116 CD2 LEU A 73 -9.917 -8.887 0.753 1.00 0.00 C ATOM 0 H LEU A 73 -8.629 -6.498 3.936 1.00 0.00 H new ATOM 0 HA LEU A 73 -8.452 -9.026 3.033 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -7.862 -6.348 1.817 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -7.479 -7.777 0.877 1.00 0.00 H new ATOM 0 HG LEU A 73 -10.224 -7.205 2.027 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -10.852 -6.552 -0.264 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -9.609 -5.473 0.413 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -9.155 -6.721 -0.772 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -10.953 -8.922 0.417 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -9.260 -9.183 -0.065 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -9.784 -9.572 1.591 1.00 0.00 H new ATOM 1128 N ALA A 74 -5.419 -7.718 3.130 1.00 0.00 N ATOM 1129 CA ALA A 74 -4.000 -8.052 3.129 1.00 0.00 C ATOM 1130 C ALA A 74 -3.613 -8.809 4.396 1.00 0.00 C ATOM 1131 O ALA A 74 -2.876 -9.792 4.340 1.00 0.00 O ATOM 1132 CB ALA A 74 -3.161 -6.790 2.990 1.00 0.00 C ATOM 0 H ALA A 74 -5.620 -6.732 3.297 1.00 0.00 H new ATOM 0 HA ALA A 74 -3.806 -8.701 2.275 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -2.104 -7.054 2.991 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -3.409 -6.289 2.054 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -3.368 -6.121 3.825 1.00 0.00 H new ATOM 1138 N GLU A 75 -4.116 -8.343 5.535 1.00 0.00 N ATOM 1139 CA GLU A 75 -3.821 -8.977 6.815 1.00 0.00 C ATOM 1140 C GLU A 75 -4.363 -10.403 6.854 1.00 0.00 C ATOM 1141 O GLU A 75 -4.048 -11.174 7.760 1.00 0.00 O ATOM 1142 CB GLU A 75 -4.417 -8.160 7.963 1.00 0.00 C ATOM 1143 CG GLU A 75 -4.255 -8.816 9.324 1.00 0.00 C ATOM 1144 CD GLU A 75 -5.417 -9.725 9.677 1.00 0.00 C ATOM 1145 OE1 GLU A 75 -6.563 -9.391 9.306 1.00 0.00 O ATOM 1146 OE2 GLU A 75 -5.182 -10.766 10.323 1.00 0.00 O ATOM 0 H GLU A 75 -4.729 -7.530 5.598 1.00 0.00 H new ATOM 0 HA GLU A 75 -2.738 -9.016 6.931 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -3.944 -7.178 7.983 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -5.478 -7.998 7.771 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -3.330 -9.393 9.337 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -4.159 -8.043 10.086 1.00 0.00 H new ATOM 1153 N LYS A 76 -5.181 -10.746 5.864 1.00 0.00 N ATOM 1154 CA LYS A 76 -5.768 -12.078 5.783 1.00 0.00 C ATOM 1155 C LYS A 76 -5.186 -12.858 4.608 1.00 0.00 C ATOM 1156 O LYS A 76 -4.554 -13.897 4.794 1.00 0.00 O ATOM 1157 CB LYS A 76 -7.288 -11.980 5.641 1.00 0.00 C ATOM 1158 CG LYS A 76 -8.018 -13.257 6.019 1.00 0.00 C ATOM 1159 CD LYS A 76 -7.985 -13.494 7.520 1.00 0.00 C ATOM 1160 CE LYS A 76 -9.097 -12.734 8.229 1.00 0.00 C ATOM 1161 NZ LYS A 76 -8.753 -12.446 9.649 1.00 0.00 N ATOM 0 H LYS A 76 -5.452 -10.119 5.106 1.00 0.00 H new ATOM 0 HA LYS A 76 -5.529 -12.610 6.704 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -7.651 -11.165 6.267 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -7.532 -11.723 4.610 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -9.053 -13.199 5.681 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -7.562 -14.104 5.506 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -8.085 -14.560 7.723 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -7.019 -13.182 7.918 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -9.289 -11.798 7.705 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -10.018 -13.316 8.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -9.535 -11.928 10.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -8.595 -13.340 10.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -7.889 -11.869 9.687 1.00 0.00 H new ATOM 1175 N GLU A 77 -5.403 -12.348 3.400 1.00 0.00 N ATOM 1176 CA GLU A 77 -4.900 -12.998 2.196 1.00 0.00 C ATOM 1177 C GLU A 77 -3.376 -13.080 2.217 1.00 0.00 C ATOM 1178 O GLU A 77 -2.803 -14.159 2.377 1.00 0.00 O ATOM 1179 CB GLU A 77 -5.362 -12.241 0.949 1.00 0.00 C ATOM 1180 CG GLU A 77 -6.871 -12.087 0.855 1.00 0.00 C ATOM 1181 CD GLU A 77 -7.555 -13.340 0.341 1.00 0.00 C ATOM 1182 OE1 GLU A 77 -6.992 -14.440 0.522 1.00 0.00 O ATOM 1183 OE2 GLU A 77 -8.653 -13.219 -0.241 1.00 0.00 O ATOM 0 H GLU A 77 -5.923 -11.487 3.229 1.00 0.00 H new ATOM 0 HA GLU A 77 -5.301 -14.011 2.168 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -4.903 -11.252 0.944 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -5.003 -12.764 0.063 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -7.269 -11.838 1.839 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -7.107 -11.252 0.195 1.00 0.00 H new ATOM 1190 N LEU A 78 -2.726 -11.933 2.056 1.00 0.00 N ATOM 1191 CA LEU A 78 -1.268 -11.873 2.058 1.00 0.00 C ATOM 1192 C LEU A 78 -0.701 -12.430 3.360 1.00 0.00 C ATOM 1193 O LEU A 78 0.241 -13.221 3.351 1.00 0.00 O ATOM 1194 CB LEU A 78 -0.797 -10.432 1.859 1.00 0.00 C ATOM 1195 CG LEU A 78 -1.471 -9.656 0.726 1.00 0.00 C ATOM 1196 CD1 LEU A 78 -1.066 -8.190 0.767 1.00 0.00 C ATOM 1197 CD2 LEU A 78 -1.120 -10.270 -0.623 1.00 0.00 C ATOM 0 H LEU A 78 -3.185 -11.032 1.922 1.00 0.00 H new ATOM 0 HA LEU A 78 -0.903 -12.485 1.233 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -0.955 -9.887 2.790 1.00 0.00 H new ATOM 0 HB3 LEU A 78 0.277 -10.444 1.675 1.00 0.00 H new ATOM 0 HG LEU A 78 -2.551 -9.717 0.862 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -1.555 -7.654 -0.046 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -1.367 -7.756 1.720 1.00 0.00 H new ATOM 0 HD13 LEU A 78 0.015 -8.108 0.657 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -1.608 -9.706 -1.418 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -0.040 -10.239 -0.767 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -1.461 -11.305 -0.651 1.00 0.00 H new ATOM 1209 N GLY A 79 -1.284 -12.012 4.480 1.00 0.00 N ATOM 1210 CA GLY A 79 -0.826 -12.480 5.774 1.00 0.00 C ATOM 1211 C GLY A 79 0.116 -11.499 6.445 1.00 0.00 C ATOM 1212 O GLY A 79 1.087 -11.900 7.087 1.00 0.00 O ATOM 0 H GLY A 79 -2.066 -11.357 4.513 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -1.687 -12.652 6.420 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -0.321 -13.439 5.653 1.00 0.00 H new ATOM 1216 N LEU A 80 -0.170 -10.211 6.297 1.00 0.00 N ATOM 1217 CA LEU A 80 0.660 -9.169 6.892 1.00 0.00 C ATOM 1218 C LEU A 80 0.082 -8.710 8.227 1.00 0.00 C ATOM 1219 O LEU A 80 -1.134 -8.715 8.425 1.00 0.00 O ATOM 1220 CB LEU A 80 0.779 -7.979 5.939 1.00 0.00 C ATOM 1221 CG LEU A 80 1.384 -8.276 4.567 1.00 0.00 C ATOM 1222 CD1 LEU A 80 1.090 -7.142 3.596 1.00 0.00 C ATOM 1223 CD2 LEU A 80 2.884 -8.506 4.682 1.00 0.00 C ATOM 0 H LEU A 80 -0.971 -9.862 5.770 1.00 0.00 H new ATOM 0 HA LEU A 80 1.652 -9.585 7.070 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.215 -7.556 5.792 1.00 0.00 H new ATOM 0 HB3 LEU A 80 1.384 -7.211 6.422 1.00 0.00 H new ATOM 0 HG LEU A 80 0.926 -9.186 4.180 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.529 -7.372 2.625 1.00 0.00 H new ATOM 0 HD12 LEU A 80 0.012 -7.025 3.489 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.519 -6.216 3.978 1.00 0.00 H new ATOM 0 HD21 LEU A 80 3.297 -8.716 3.695 1.00 0.00 H new ATOM 0 HD22 LEU A 80 3.358 -7.614 5.092 1.00 0.00 H new ATOM 0 HD23 LEU A 80 3.073 -9.353 5.342 1.00 0.00 H new ATOM 1235 N THR A 81 0.961 -8.310 9.140 1.00 0.00 N ATOM 1236 CA THR A 81 0.539 -7.846 10.456 1.00 0.00 C ATOM 1237 C THR A 81 0.089 -6.391 10.408 1.00 0.00 C ATOM 1238 O THR A 81 0.859 -5.504 10.042 1.00 0.00 O ATOM 1239 CB THR A 81 1.671 -7.988 11.491 1.00 0.00 C ATOM 1240 OG1 THR A 81 2.133 -9.343 11.530 1.00 0.00 O ATOM 1241 CG2 THR A 81 1.195 -7.570 12.874 1.00 0.00 C ATOM 0 H THR A 81 1.970 -8.298 8.992 1.00 0.00 H new ATOM 0 HA THR A 81 -0.300 -8.473 10.758 1.00 0.00 H new ATOM 0 HB THR A 81 2.490 -7.334 11.192 1.00 0.00 H new ATOM 0 HG1 THR A 81 2.854 -9.424 12.189 1.00 0.00 H new ATOM 0 HG21 THR A 81 2.011 -7.679 13.588 1.00 0.00 H new ATOM 0 HG22 THR A 81 0.872 -6.529 12.848 1.00 0.00 H new ATOM 0 HG23 THR A 81 0.360 -8.202 13.178 1.00 0.00 H new ATOM 1249 N LYS A 82 -1.164 -6.151 10.780 1.00 0.00 N ATOM 1250 CA LYS A 82 -1.718 -4.803 10.781 1.00 0.00 C ATOM 1251 C LYS A 82 -0.966 -3.907 11.760 1.00 0.00 C ATOM 1252 O LYS A 82 -1.172 -3.983 12.973 1.00 0.00 O ATOM 1253 CB LYS A 82 -3.204 -4.840 11.146 1.00 0.00 C ATOM 1254 CG LYS A 82 -4.119 -5.035 9.950 1.00 0.00 C ATOM 1255 CD LYS A 82 -5.558 -4.681 10.285 1.00 0.00 C ATOM 1256 CE LYS A 82 -6.210 -5.756 11.142 1.00 0.00 C ATOM 1257 NZ LYS A 82 -6.831 -6.826 10.312 1.00 0.00 N ATOM 0 H LYS A 82 -1.815 -6.874 11.085 1.00 0.00 H new ATOM 0 HA LYS A 82 -1.607 -4.391 9.778 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -3.375 -5.647 11.859 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -3.469 -3.910 11.648 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -3.774 -4.415 9.122 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -4.067 -6.071 9.616 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -5.586 -3.727 10.812 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -6.127 -4.554 9.364 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -5.463 -6.196 11.803 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -6.970 -5.302 11.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -6.866 -7.711 10.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -7.797 -6.544 10.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -6.265 -6.970 9.452 1.00 0.00 H new ATOM 1271 N LEU A 83 -0.094 -3.058 11.227 1.00 0.00 N ATOM 1272 CA LEU A 83 0.688 -2.145 12.055 1.00 0.00 C ATOM 1273 C LEU A 83 -0.068 -0.842 12.292 1.00 0.00 C ATOM 1274 O LEU A 83 0.124 -0.178 13.312 1.00 0.00 O ATOM 1275 CB LEU A 83 2.035 -1.853 11.392 1.00 0.00 C ATOM 1276 CG LEU A 83 2.675 -3.015 10.632 1.00 0.00 C ATOM 1277 CD1 LEU A 83 3.822 -2.519 9.764 1.00 0.00 C ATOM 1278 CD2 LEU A 83 3.162 -4.083 11.601 1.00 0.00 C ATOM 0 H LEU A 83 0.090 -2.982 10.226 1.00 0.00 H new ATOM 0 HA LEU A 83 0.860 -2.624 13.019 1.00 0.00 H new ATOM 0 HB2 LEU A 83 1.904 -1.021 10.700 1.00 0.00 H new ATOM 0 HB3 LEU A 83 2.732 -1.521 12.162 1.00 0.00 H new ATOM 0 HG LEU A 83 1.920 -3.458 9.983 1.00 0.00 H new ATOM 0 HD11 LEU A 83 4.265 -3.360 9.231 1.00 0.00 H new ATOM 0 HD12 LEU A 83 3.446 -1.791 9.045 1.00 0.00 H new ATOM 0 HD13 LEU A 83 4.578 -2.050 10.393 1.00 0.00 H new ATOM 0 HD21 LEU A 83 3.615 -4.902 11.042 1.00 0.00 H new ATOM 0 HD22 LEU A 83 3.901 -3.652 12.276 1.00 0.00 H new ATOM 0 HD23 LEU A 83 2.319 -4.461 12.180 1.00 0.00 H new ATOM 1290 N LEU A 84 -0.929 -0.482 11.346 1.00 0.00 N ATOM 1291 CA LEU A 84 -1.717 0.741 11.453 1.00 0.00 C ATOM 1292 C LEU A 84 -3.209 0.429 11.459 1.00 0.00 C ATOM 1293 O LEU A 84 -3.613 -0.726 11.319 1.00 0.00 O ATOM 1294 CB LEU A 84 -1.386 1.687 10.297 1.00 0.00 C ATOM 1295 CG LEU A 84 0.081 2.097 10.164 1.00 0.00 C ATOM 1296 CD1 LEU A 84 0.306 2.856 8.865 1.00 0.00 C ATOM 1297 CD2 LEU A 84 0.509 2.939 11.357 1.00 0.00 C ATOM 0 H LEU A 84 -1.099 -1.020 10.496 1.00 0.00 H new ATOM 0 HA LEU A 84 -1.463 1.226 12.395 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -1.696 1.213 9.366 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -1.986 2.590 10.410 1.00 0.00 H new ATOM 0 HG LEU A 84 0.691 1.194 10.144 1.00 0.00 H new ATOM 0 HD11 LEU A 84 1.355 3.140 8.787 1.00 0.00 H new ATOM 0 HD12 LEU A 84 0.038 2.220 8.021 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -0.314 3.752 8.855 1.00 0.00 H new ATOM 0 HD21 LEU A 84 1.556 3.222 11.246 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -0.106 3.837 11.408 1.00 0.00 H new ATOM 0 HD23 LEU A 84 0.385 2.362 12.273 1.00 0.00 H new ATOM 1309 N ASP A 85 -4.024 1.465 11.621 1.00 0.00 N ATOM 1310 CA ASP A 85 -5.473 1.302 11.642 1.00 0.00 C ATOM 1311 C ASP A 85 -6.142 2.259 10.660 1.00 0.00 C ATOM 1312 O ASP A 85 -5.586 3.291 10.285 1.00 0.00 O ATOM 1313 CB ASP A 85 -6.014 1.539 13.052 1.00 0.00 C ATOM 1314 CG ASP A 85 -5.839 0.330 13.950 1.00 0.00 C ATOM 1315 OD1 ASP A 85 -6.141 -0.794 13.497 1.00 0.00 O ATOM 1316 OD2 ASP A 85 -5.402 0.508 15.107 1.00 0.00 O ATOM 0 H ASP A 85 -3.706 2.427 11.740 1.00 0.00 H new ATOM 0 HA ASP A 85 -5.703 0.280 11.340 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -5.503 2.394 13.495 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -7.072 1.795 12.994 1.00 0.00 H new ATOM 1321 N PRO A 86 -7.364 1.909 10.231 1.00 0.00 N ATOM 1322 CA PRO A 86 -8.134 2.723 9.286 1.00 0.00 C ATOM 1323 C PRO A 86 -8.619 4.028 9.907 1.00 0.00 C ATOM 1324 O PRO A 86 -9.213 4.866 9.228 1.00 0.00 O ATOM 1325 CB PRO A 86 -9.323 1.825 8.932 1.00 0.00 C ATOM 1326 CG PRO A 86 -9.476 0.919 10.104 1.00 0.00 C ATOM 1327 CD PRO A 86 -8.087 0.692 10.636 1.00 0.00 C ATOM 0 HA PRO A 86 -7.537 3.023 8.425 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -10.226 2.412 8.765 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -9.135 1.262 8.018 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -10.116 1.368 10.863 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -9.941 -0.023 9.811 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -8.087 0.566 11.719 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -7.635 -0.204 10.211 1.00 0.00 H new ATOM 1335 N GLU A 87 -8.362 4.195 11.200 1.00 0.00 N ATOM 1336 CA GLU A 87 -8.773 5.400 11.912 1.00 0.00 C ATOM 1337 C GLU A 87 -7.561 6.235 12.313 1.00 0.00 C ATOM 1338 O GLU A 87 -7.612 7.464 12.311 1.00 0.00 O ATOM 1339 CB GLU A 87 -9.587 5.032 13.155 1.00 0.00 C ATOM 1340 CG GLU A 87 -8.975 3.908 13.973 1.00 0.00 C ATOM 1341 CD GLU A 87 -9.588 3.791 15.354 1.00 0.00 C ATOM 1342 OE1 GLU A 87 -9.154 4.529 16.262 1.00 0.00 O ATOM 1343 OE2 GLU A 87 -10.504 2.959 15.527 1.00 0.00 O ATOM 0 H GLU A 87 -7.871 3.511 11.776 1.00 0.00 H new ATOM 0 HA GLU A 87 -9.395 5.993 11.242 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -9.690 5.915 13.786 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -10.592 4.741 12.848 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -9.104 2.965 13.441 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -7.902 4.076 14.069 1.00 0.00 H new ATOM 1350 N ASP A 88 -6.471 5.558 12.658 1.00 0.00 N ATOM 1351 CA ASP A 88 -5.245 6.236 13.061 1.00 0.00 C ATOM 1352 C ASP A 88 -4.623 6.981 11.884 1.00 0.00 C ATOM 1353 O ASP A 88 -4.258 8.151 11.999 1.00 0.00 O ATOM 1354 CB ASP A 88 -4.243 5.229 13.630 1.00 0.00 C ATOM 1355 CG ASP A 88 -4.512 4.906 15.087 1.00 0.00 C ATOM 1356 OD1 ASP A 88 -5.367 4.035 15.354 1.00 0.00 O ATOM 1357 OD2 ASP A 88 -3.868 5.523 15.961 1.00 0.00 O ATOM 0 H ASP A 88 -6.412 4.540 12.667 1.00 0.00 H new ATOM 0 HA ASP A 88 -5.498 6.962 13.834 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -4.282 4.311 13.044 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -3.234 5.628 13.530 1.00 0.00 H new ATOM 1362 N VAL A 89 -4.504 6.294 10.753 1.00 0.00 N ATOM 1363 CA VAL A 89 -3.927 6.890 9.553 1.00 0.00 C ATOM 1364 C VAL A 89 -4.819 7.998 9.006 1.00 0.00 C ATOM 1365 O VAL A 89 -4.350 9.096 8.708 1.00 0.00 O ATOM 1366 CB VAL A 89 -3.705 5.835 8.454 1.00 0.00 C ATOM 1367 CG1 VAL A 89 -3.264 6.499 7.158 1.00 0.00 C ATOM 1368 CG2 VAL A 89 -2.685 4.801 8.906 1.00 0.00 C ATOM 0 H VAL A 89 -4.799 5.324 10.642 1.00 0.00 H new ATOM 0 HA VAL A 89 -2.964 7.312 9.841 1.00 0.00 H new ATOM 0 HB VAL A 89 -4.650 5.323 8.270 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -3.112 5.738 6.393 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -4.033 7.198 6.827 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -2.331 7.038 7.324 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -2.541 4.063 8.117 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -1.737 5.294 9.119 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -3.046 4.303 9.806 1.00 0.00 H new ATOM 1378 N ASN A 90 -6.108 7.703 8.877 1.00 0.00 N ATOM 1379 CA ASN A 90 -7.068 8.675 8.365 1.00 0.00 C ATOM 1380 C ASN A 90 -7.010 9.972 9.168 1.00 0.00 C ATOM 1381 O ASN A 90 -7.646 10.096 10.214 1.00 0.00 O ATOM 1382 CB ASN A 90 -8.484 8.097 8.410 1.00 0.00 C ATOM 1383 CG ASN A 90 -9.528 9.091 7.938 1.00 0.00 C ATOM 1384 OD1 ASN A 90 -9.214 10.243 7.637 1.00 0.00 O ATOM 1385 ND2 ASN A 90 -10.778 8.647 7.871 1.00 0.00 N ATOM 0 H ASN A 90 -6.512 6.799 9.120 1.00 0.00 H new ATOM 0 HA ASN A 90 -6.806 8.897 7.330 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -8.529 7.203 7.787 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -8.715 7.787 9.429 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -11.524 9.269 7.560 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -10.992 7.684 8.130 1.00 0.00 H new ATOM 1392 N VAL A 91 -6.241 10.935 8.670 1.00 0.00 N ATOM 1393 CA VAL A 91 -6.100 12.223 9.339 1.00 0.00 C ATOM 1394 C VAL A 91 -5.562 13.283 8.384 1.00 0.00 C ATOM 1395 O VAL A 91 -5.030 12.962 7.321 1.00 0.00 O ATOM 1396 CB VAL A 91 -5.163 12.122 10.558 1.00 0.00 C ATOM 1397 CG1 VAL A 91 -3.733 11.858 10.112 1.00 0.00 C ATOM 1398 CG2 VAL A 91 -5.243 13.390 11.396 1.00 0.00 C ATOM 0 H VAL A 91 -5.706 10.848 7.806 1.00 0.00 H new ATOM 0 HA VAL A 91 -7.094 12.515 9.677 1.00 0.00 H new ATOM 0 HB VAL A 91 -5.486 11.284 11.175 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -3.086 11.790 10.986 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -3.692 10.921 9.556 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -3.395 12.674 9.473 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -4.575 13.302 12.253 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -4.945 14.246 10.790 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -6.266 13.531 11.746 1.00 0.00 H new ATOM 1408 N ASP A 92 -5.705 14.546 8.770 1.00 0.00 N ATOM 1409 CA ASP A 92 -5.232 15.654 7.948 1.00 0.00 C ATOM 1410 C ASP A 92 -3.748 15.500 7.629 1.00 0.00 C ATOM 1411 O ASP A 92 -3.345 15.560 6.468 1.00 0.00 O ATOM 1412 CB ASP A 92 -5.477 16.986 8.661 1.00 0.00 C ATOM 1413 CG ASP A 92 -6.846 17.562 8.356 1.00 0.00 C ATOM 1414 OD1 ASP A 92 -6.990 18.220 7.304 1.00 0.00 O ATOM 1415 OD2 ASP A 92 -7.771 17.356 9.169 1.00 0.00 O ATOM 0 H ASP A 92 -6.144 14.828 9.646 1.00 0.00 H new ATOM 0 HA ASP A 92 -5.789 15.643 7.011 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -5.378 16.843 9.737 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -4.710 17.701 8.363 1.00 0.00 H new ATOM 1420 N GLN A 93 -2.943 15.302 8.667 1.00 0.00 N ATOM 1421 CA GLN A 93 -1.504 15.141 8.497 1.00 0.00 C ATOM 1422 C GLN A 93 -0.984 13.975 9.331 1.00 0.00 C ATOM 1423 O GLN A 93 -0.443 14.153 10.423 1.00 0.00 O ATOM 1424 CB GLN A 93 -0.774 16.428 8.887 1.00 0.00 C ATOM 1425 CG GLN A 93 -1.030 17.584 7.934 1.00 0.00 C ATOM 1426 CD GLN A 93 -0.150 17.528 6.700 1.00 0.00 C ATOM 1427 OE1 GLN A 93 -0.301 16.646 5.855 1.00 0.00 O ATOM 1428 NE2 GLN A 93 0.776 18.472 6.590 1.00 0.00 N ATOM 0 H GLN A 93 -3.262 15.249 9.634 1.00 0.00 H new ATOM 0 HA GLN A 93 -1.311 14.927 7.446 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -1.082 16.721 9.891 1.00 0.00 H new ATOM 0 HB3 GLN A 93 0.297 16.231 8.927 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -2.077 17.575 7.630 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -0.858 18.525 8.456 1.00 0.00 H new ATOM 0 HE21 GLN A 93 0.867 19.184 7.314 1.00 0.00 H new ATOM 0 HE22 GLN A 93 1.397 18.485 5.781 1.00 0.00 H new ATOM 1437 N PRO A 94 -1.149 12.751 8.808 1.00 0.00 N ATOM 1438 CA PRO A 94 -0.703 11.532 9.489 1.00 0.00 C ATOM 1439 C PRO A 94 0.817 11.415 9.531 1.00 0.00 C ATOM 1440 O PRO A 94 1.526 12.170 8.867 1.00 0.00 O ATOM 1441 CB PRO A 94 -1.302 10.410 8.635 1.00 0.00 C ATOM 1442 CG PRO A 94 -1.468 11.011 7.282 1.00 0.00 C ATOM 1443 CD PRO A 94 -1.784 12.464 7.511 1.00 0.00 C ATOM 0 HA PRO A 94 -1.019 11.508 10.532 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -0.644 9.542 8.604 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -2.257 10.072 9.038 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -0.560 10.898 6.690 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -2.270 10.519 6.732 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -1.380 13.093 6.718 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -2.859 12.641 7.542 1.00 0.00 H new ATOM 1451 N ASP A 95 1.311 10.463 10.316 1.00 0.00 N ATOM 1452 CA ASP A 95 2.747 10.246 10.444 1.00 0.00 C ATOM 1453 C ASP A 95 3.277 9.415 9.280 1.00 0.00 C ATOM 1454 O ASP A 95 3.088 8.199 9.237 1.00 0.00 O ATOM 1455 CB ASP A 95 3.064 9.552 11.769 1.00 0.00 C ATOM 1456 CG ASP A 95 3.224 10.533 12.913 1.00 0.00 C ATOM 1457 OD1 ASP A 95 3.591 11.697 12.650 1.00 0.00 O ATOM 1458 OD2 ASP A 95 2.981 10.137 14.072 1.00 0.00 O ATOM 0 H ASP A 95 0.738 9.830 10.873 1.00 0.00 H new ATOM 0 HA ASP A 95 3.239 11.218 10.426 1.00 0.00 H new ATOM 0 HB2 ASP A 95 2.267 8.848 12.007 1.00 0.00 H new ATOM 0 HB3 ASP A 95 3.980 8.971 11.661 1.00 0.00 H new ATOM 1463 N GLU A 96 3.941 10.078 8.339 1.00 0.00 N ATOM 1464 CA GLU A 96 4.495 9.399 7.173 1.00 0.00 C ATOM 1465 C GLU A 96 5.431 8.270 7.596 1.00 0.00 C ATOM 1466 O GLU A 96 5.544 7.253 6.912 1.00 0.00 O ATOM 1467 CB GLU A 96 5.247 10.393 6.286 1.00 0.00 C ATOM 1468 CG GLU A 96 6.625 10.760 6.813 1.00 0.00 C ATOM 1469 CD GLU A 96 7.070 12.141 6.372 1.00 0.00 C ATOM 1470 OE1 GLU A 96 7.679 12.249 5.287 1.00 0.00 O ATOM 1471 OE2 GLU A 96 6.809 13.112 7.112 1.00 0.00 O ATOM 0 H GLU A 96 4.109 11.084 8.361 1.00 0.00 H new ATOM 0 HA GLU A 96 3.668 8.971 6.606 1.00 0.00 H new ATOM 0 HB2 GLU A 96 5.351 9.969 5.287 1.00 0.00 H new ATOM 0 HB3 GLU A 96 4.652 11.301 6.187 1.00 0.00 H new ATOM 0 HG2 GLU A 96 6.617 10.716 7.902 1.00 0.00 H new ATOM 0 HG3 GLU A 96 7.350 10.022 6.469 1.00 0.00 H new ATOM 1478 N LYS A 97 6.101 8.458 8.728 1.00 0.00 N ATOM 1479 CA LYS A 97 7.026 7.456 9.244 1.00 0.00 C ATOM 1480 C LYS A 97 6.275 6.229 9.748 1.00 0.00 C ATOM 1481 O LYS A 97 6.815 5.123 9.769 1.00 0.00 O ATOM 1482 CB LYS A 97 7.873 8.048 10.374 1.00 0.00 C ATOM 1483 CG LYS A 97 8.819 9.144 9.915 1.00 0.00 C ATOM 1484 CD LYS A 97 9.960 8.584 9.083 1.00 0.00 C ATOM 1485 CE LYS A 97 10.451 9.593 8.057 1.00 0.00 C ATOM 1486 NZ LYS A 97 11.854 9.323 7.640 1.00 0.00 N ATOM 0 H LYS A 97 6.021 9.295 9.305 1.00 0.00 H new ATOM 0 HA LYS A 97 7.681 7.149 8.428 1.00 0.00 H new ATOM 0 HB2 LYS A 97 7.211 8.449 11.141 1.00 0.00 H new ATOM 0 HB3 LYS A 97 8.453 7.250 10.838 1.00 0.00 H new ATOM 0 HG2 LYS A 97 8.268 9.880 9.330 1.00 0.00 H new ATOM 0 HG3 LYS A 97 9.222 9.665 10.783 1.00 0.00 H new ATOM 0 HD2 LYS A 97 10.784 8.300 9.738 1.00 0.00 H new ATOM 0 HD3 LYS A 97 9.630 7.678 8.575 1.00 0.00 H new ATOM 0 HE2 LYS A 97 9.801 9.567 7.182 1.00 0.00 H new ATOM 0 HE3 LYS A 97 10.383 10.598 8.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 12.151 10.033 6.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 12.479 9.373 8.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 11.914 8.374 7.218 1.00 0.00 H new ATOM 1500 N SER A 98 5.025 6.431 10.153 1.00 0.00 N ATOM 1501 CA SER A 98 4.200 5.340 10.658 1.00 0.00 C ATOM 1502 C SER A 98 3.515 4.600 9.513 1.00 0.00 C ATOM 1503 O SER A 98 2.973 3.511 9.700 1.00 0.00 O ATOM 1504 CB SER A 98 3.150 5.877 11.634 1.00 0.00 C ATOM 1505 OG SER A 98 3.737 6.223 12.876 1.00 0.00 O ATOM 0 H SER A 98 4.562 7.340 10.141 1.00 0.00 H new ATOM 0 HA SER A 98 4.850 4.639 11.182 1.00 0.00 H new ATOM 0 HB2 SER A 98 2.662 6.751 11.203 1.00 0.00 H new ATOM 0 HB3 SER A 98 2.377 5.125 11.791 1.00 0.00 H new ATOM 0 HG SER A 98 3.046 6.565 13.481 1.00 0.00 H new ATOM 1511 N ILE A 99 3.545 5.200 8.328 1.00 0.00 N ATOM 1512 CA ILE A 99 2.929 4.599 7.152 1.00 0.00 C ATOM 1513 C ILE A 99 3.974 3.924 6.268 1.00 0.00 C ATOM 1514 O ILE A 99 3.862 2.740 5.952 1.00 0.00 O ATOM 1515 CB ILE A 99 2.167 5.645 6.319 1.00 0.00 C ATOM 1516 CG1 ILE A 99 1.051 6.280 7.153 1.00 0.00 C ATOM 1517 CG2 ILE A 99 1.595 5.007 5.060 1.00 0.00 C ATOM 1518 CD1 ILE A 99 0.462 7.524 6.527 1.00 0.00 C ATOM 0 H ILE A 99 3.989 6.102 8.157 1.00 0.00 H new ATOM 0 HA ILE A 99 2.224 3.851 7.513 1.00 0.00 H new ATOM 0 HB ILE A 99 2.865 6.428 6.022 1.00 0.00 H new ATOM 0 HG12 ILE A 99 0.258 5.547 7.301 1.00 0.00 H new ATOM 0 HG13 ILE A 99 1.443 6.530 8.139 1.00 0.00 H new ATOM 0 HG21 ILE A 99 1.059 5.760 4.482 1.00 0.00 H new ATOM 0 HG22 ILE A 99 2.407 4.598 4.459 1.00 0.00 H new ATOM 0 HG23 ILE A 99 0.909 4.206 5.337 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -0.322 7.920 7.172 1.00 0.00 H new ATOM 0 HD12 ILE A 99 1.243 8.274 6.404 1.00 0.00 H new ATOM 0 HD13 ILE A 99 0.040 7.276 5.553 1.00 0.00 H new ATOM 1530 N ILE A 100 4.989 4.687 5.876 1.00 0.00 N ATOM 1531 CA ILE A 100 6.054 4.162 5.031 1.00 0.00 C ATOM 1532 C ILE A 100 6.488 2.774 5.491 1.00 0.00 C ATOM 1533 O ILE A 100 6.888 1.936 4.682 1.00 0.00 O ATOM 1534 CB ILE A 100 7.280 5.094 5.027 1.00 0.00 C ATOM 1535 CG1 ILE A 100 6.902 6.469 4.470 1.00 0.00 C ATOM 1536 CG2 ILE A 100 8.410 4.480 4.215 1.00 0.00 C ATOM 1537 CD1 ILE A 100 7.776 7.590 4.983 1.00 0.00 C ATOM 0 H ILE A 100 5.096 5.669 6.130 1.00 0.00 H new ATOM 0 HA ILE A 100 5.652 4.098 4.020 1.00 0.00 H new ATOM 0 HB ILE A 100 7.624 5.221 6.053 1.00 0.00 H new ATOM 0 HG12 ILE A 100 6.963 6.440 3.382 1.00 0.00 H new ATOM 0 HG13 ILE A 100 5.864 6.683 4.725 1.00 0.00 H new ATOM 0 HG21 ILE A 100 9.269 5.151 4.222 1.00 0.00 H new ATOM 0 HG22 ILE A 100 8.694 3.523 4.652 1.00 0.00 H new ATOM 0 HG23 ILE A 100 8.078 4.326 3.188 1.00 0.00 H new ATOM 0 HD11 ILE A 100 7.450 8.534 4.546 1.00 0.00 H new ATOM 0 HD12 ILE A 100 7.696 7.646 6.069 1.00 0.00 H new ATOM 0 HD13 ILE A 100 8.813 7.400 4.704 1.00 0.00 H new ATOM 1549 N THR A 101 6.402 2.535 6.797 1.00 0.00 N ATOM 1550 CA THR A 101 6.784 1.249 7.364 1.00 0.00 C ATOM 1551 C THR A 101 5.824 0.148 6.927 1.00 0.00 C ATOM 1552 O THR A 101 6.247 -0.957 6.585 1.00 0.00 O ATOM 1553 CB THR A 101 6.819 1.303 8.904 1.00 0.00 C ATOM 1554 OG1 THR A 101 7.551 2.455 9.337 1.00 0.00 O ATOM 1555 CG2 THR A 101 7.456 0.046 9.475 1.00 0.00 C ATOM 0 H THR A 101 6.071 3.216 7.481 1.00 0.00 H new ATOM 0 HA THR A 101 7.784 1.024 6.992 1.00 0.00 H new ATOM 0 HB THR A 101 5.793 1.368 9.267 1.00 0.00 H new ATOM 0 HG1 THR A 101 6.948 3.226 9.386 1.00 0.00 H new ATOM 0 HG21 THR A 101 7.470 0.107 10.563 1.00 0.00 H new ATOM 0 HG22 THR A 101 6.879 -0.826 9.168 1.00 0.00 H new ATOM 0 HG23 THR A 101 8.477 -0.045 9.104 1.00 0.00 H new ATOM 1563 N TYR A 102 4.533 0.456 6.942 1.00 0.00 N ATOM 1564 CA TYR A 102 3.512 -0.508 6.548 1.00 0.00 C ATOM 1565 C TYR A 102 3.601 -0.816 5.056 1.00 0.00 C ATOM 1566 O TYR A 102 3.831 -1.959 4.659 1.00 0.00 O ATOM 1567 CB TYR A 102 2.120 0.024 6.888 1.00 0.00 C ATOM 1568 CG TYR A 102 1.026 -1.012 6.755 1.00 0.00 C ATOM 1569 CD1 TYR A 102 0.680 -1.530 5.513 1.00 0.00 C ATOM 1570 CD2 TYR A 102 0.340 -1.474 7.871 1.00 0.00 C ATOM 1571 CE1 TYR A 102 -0.317 -2.477 5.385 1.00 0.00 C ATOM 1572 CE2 TYR A 102 -0.660 -2.422 7.754 1.00 0.00 C ATOM 1573 CZ TYR A 102 -0.985 -2.919 6.510 1.00 0.00 C ATOM 1574 OH TYR A 102 -1.979 -3.863 6.387 1.00 0.00 O ATOM 0 H TYR A 102 4.168 1.366 7.223 1.00 0.00 H new ATOM 0 HA TYR A 102 3.686 -1.430 7.102 1.00 0.00 H new ATOM 0 HB2 TYR A 102 2.125 0.405 7.909 1.00 0.00 H new ATOM 0 HB3 TYR A 102 1.893 0.866 6.235 1.00 0.00 H new ATOM 0 HD1 TYR A 102 1.200 -1.186 4.631 1.00 0.00 H new ATOM 0 HD2 TYR A 102 0.592 -1.086 8.847 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -0.573 -2.869 4.412 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -1.183 -2.771 8.632 1.00 0.00 H new ATOM 0 HH TYR A 102 -2.348 -4.067 7.272 1.00 0.00 H new ATOM 1584 N VAL A 103 3.417 0.211 4.234 1.00 0.00 N ATOM 1585 CA VAL A 103 3.477 0.053 2.786 1.00 0.00 C ATOM 1586 C VAL A 103 4.764 -0.646 2.363 1.00 0.00 C ATOM 1587 O VAL A 103 4.814 -1.301 1.322 1.00 0.00 O ATOM 1588 CB VAL A 103 3.385 1.412 2.069 1.00 0.00 C ATOM 1589 CG1 VAL A 103 4.543 2.311 2.475 1.00 0.00 C ATOM 1590 CG2 VAL A 103 3.356 1.217 0.560 1.00 0.00 C ATOM 0 H VAL A 103 3.225 1.163 4.546 1.00 0.00 H new ATOM 0 HA VAL A 103 2.622 -0.559 2.499 1.00 0.00 H new ATOM 0 HB VAL A 103 2.457 1.898 2.369 1.00 0.00 H new ATOM 0 HG11 VAL A 103 4.460 3.267 1.958 1.00 0.00 H new ATOM 0 HG12 VAL A 103 4.514 2.478 3.552 1.00 0.00 H new ATOM 0 HG13 VAL A 103 5.486 1.834 2.207 1.00 0.00 H new ATOM 0 HG21 VAL A 103 3.291 2.188 0.069 1.00 0.00 H new ATOM 0 HG22 VAL A 103 4.266 0.709 0.241 1.00 0.00 H new ATOM 0 HG23 VAL A 103 2.490 0.614 0.288 1.00 0.00 H new ATOM 1600 N ALA A 104 5.804 -0.504 3.179 1.00 0.00 N ATOM 1601 CA ALA A 104 7.091 -1.125 2.890 1.00 0.00 C ATOM 1602 C ALA A 104 6.965 -2.643 2.818 1.00 0.00 C ATOM 1603 O ALA A 104 7.723 -3.305 2.109 1.00 0.00 O ATOM 1604 CB ALA A 104 8.115 -0.728 3.943 1.00 0.00 C ATOM 0 H ALA A 104 5.780 0.035 4.045 1.00 0.00 H new ATOM 0 HA ALA A 104 7.429 -0.769 1.917 1.00 0.00 H new ATOM 0 HB1 ALA A 104 9.072 -1.198 3.716 1.00 0.00 H new ATOM 0 HB2 ALA A 104 8.234 0.355 3.944 1.00 0.00 H new ATOM 0 HB3 ALA A 104 7.773 -1.056 4.925 1.00 0.00 H new ATOM 1610 N THR A 105 6.003 -3.188 3.555 1.00 0.00 N ATOM 1611 CA THR A 105 5.779 -4.628 3.576 1.00 0.00 C ATOM 1612 C THR A 105 5.266 -5.124 2.229 1.00 0.00 C ATOM 1613 O THR A 105 5.674 -6.182 1.749 1.00 0.00 O ATOM 1614 CB THR A 105 4.774 -5.025 4.673 1.00 0.00 C ATOM 1615 OG1 THR A 105 3.446 -4.665 4.275 1.00 0.00 O ATOM 1616 CG2 THR A 105 5.115 -4.345 5.991 1.00 0.00 C ATOM 0 H THR A 105 5.366 -2.654 4.146 1.00 0.00 H new ATOM 0 HA THR A 105 6.741 -5.094 3.790 1.00 0.00 H new ATOM 0 HB THR A 105 4.831 -6.104 4.813 1.00 0.00 H new ATOM 0 HG1 THR A 105 3.344 -3.691 4.319 1.00 0.00 H new ATOM 0 HG21 THR A 105 4.391 -4.640 6.751 1.00 0.00 H new ATOM 0 HG22 THR A 105 6.115 -4.643 6.306 1.00 0.00 H new ATOM 0 HG23 THR A 105 5.083 -3.263 5.861 1.00 0.00 H new ATOM 1624 N TYR A 106 4.369 -4.353 1.624 1.00 0.00 N ATOM 1625 CA TYR A 106 3.798 -4.716 0.332 1.00 0.00 C ATOM 1626 C TYR A 106 4.895 -4.934 -0.706 1.00 0.00 C ATOM 1627 O TYR A 106 4.810 -5.843 -1.533 1.00 0.00 O ATOM 1628 CB TYR A 106 2.837 -3.626 -0.148 1.00 0.00 C ATOM 1629 CG TYR A 106 1.478 -3.685 0.512 1.00 0.00 C ATOM 1630 CD1 TYR A 106 1.306 -4.313 1.740 1.00 0.00 C ATOM 1631 CD2 TYR A 106 0.365 -3.113 -0.093 1.00 0.00 C ATOM 1632 CE1 TYR A 106 0.066 -4.370 2.347 1.00 0.00 C ATOM 1633 CE2 TYR A 106 -0.878 -3.164 0.507 1.00 0.00 C ATOM 1634 CZ TYR A 106 -1.023 -3.793 1.727 1.00 0.00 C ATOM 1635 OH TYR A 106 -2.260 -3.848 2.327 1.00 0.00 O ATOM 0 H TYR A 106 4.022 -3.474 2.007 1.00 0.00 H new ATOM 0 HA TYR A 106 3.248 -5.649 0.455 1.00 0.00 H new ATOM 0 HB2 TYR A 106 3.283 -2.650 0.044 1.00 0.00 H new ATOM 0 HB3 TYR A 106 2.712 -3.713 -1.227 1.00 0.00 H new ATOM 0 HD1 TYR A 106 2.157 -4.765 2.229 1.00 0.00 H new ATOM 0 HD2 TYR A 106 0.474 -2.621 -1.048 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -0.050 -4.863 3.301 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -1.733 -2.714 0.024 1.00 0.00 H new ATOM 0 HH TYR A 106 -2.919 -3.394 1.761 1.00 0.00 H new ATOM 1645 N TYR A 107 5.923 -4.097 -0.656 1.00 0.00 N ATOM 1646 CA TYR A 107 7.037 -4.196 -1.592 1.00 0.00 C ATOM 1647 C TYR A 107 7.896 -5.420 -1.289 1.00 0.00 C ATOM 1648 O TYR A 107 8.102 -6.277 -2.148 1.00 0.00 O ATOM 1649 CB TYR A 107 7.894 -2.930 -1.535 1.00 0.00 C ATOM 1650 CG TYR A 107 9.266 -3.099 -2.147 1.00 0.00 C ATOM 1651 CD1 TYR A 107 9.420 -3.271 -3.517 1.00 0.00 C ATOM 1652 CD2 TYR A 107 10.408 -3.086 -1.356 1.00 0.00 C ATOM 1653 CE1 TYR A 107 10.672 -3.427 -4.080 1.00 0.00 C ATOM 1654 CE2 TYR A 107 11.664 -3.240 -1.911 1.00 0.00 C ATOM 1655 CZ TYR A 107 11.791 -3.410 -3.273 1.00 0.00 C ATOM 1656 OH TYR A 107 13.039 -3.563 -3.832 1.00 0.00 O ATOM 0 H TYR A 107 6.009 -3.341 0.023 1.00 0.00 H new ATOM 0 HA TYR A 107 6.626 -4.303 -2.596 1.00 0.00 H new ATOM 0 HB2 TYR A 107 7.372 -2.124 -2.051 1.00 0.00 H new ATOM 0 HB3 TYR A 107 8.005 -2.623 -0.495 1.00 0.00 H new ATOM 0 HD1 TYR A 107 8.547 -3.283 -4.152 1.00 0.00 H new ATOM 0 HD2 TYR A 107 10.312 -2.953 -0.288 1.00 0.00 H new ATOM 0 HE1 TYR A 107 10.774 -3.562 -5.147 1.00 0.00 H new ATOM 0 HE2 TYR A 107 12.541 -3.227 -1.281 1.00 0.00 H new ATOM 0 HH TYR A 107 13.720 -3.526 -3.128 1.00 0.00 H new ATOM 1666 N HIS A 108 8.395 -5.494 -0.059 1.00 0.00 N ATOM 1667 CA HIS A 108 9.232 -6.613 0.360 1.00 0.00 C ATOM 1668 C HIS A 108 8.521 -7.941 0.124 1.00 0.00 C ATOM 1669 O HIS A 108 9.052 -8.831 -0.541 1.00 0.00 O ATOM 1670 CB HIS A 108 9.601 -6.475 1.838 1.00 0.00 C ATOM 1671 CG HIS A 108 10.735 -5.528 2.087 1.00 0.00 C ATOM 1672 ND1 HIS A 108 11.990 -5.944 2.479 1.00 0.00 N ATOM 1673 CD2 HIS A 108 10.797 -4.180 1.996 1.00 0.00 C ATOM 1674 CE1 HIS A 108 12.775 -4.891 2.619 1.00 0.00 C ATOM 1675 NE2 HIS A 108 12.076 -3.808 2.332 1.00 0.00 N ATOM 0 H HIS A 108 8.234 -4.793 0.664 1.00 0.00 H new ATOM 0 HA HIS A 108 10.143 -6.597 -0.238 1.00 0.00 H new ATOM 0 HB2 HIS A 108 8.726 -6.135 2.392 1.00 0.00 H new ATOM 0 HB3 HIS A 108 9.865 -7.457 2.231 1.00 0.00 H new ATOM 0 HD2 HIS A 108 9.991 -3.519 1.712 1.00 0.00 H new ATOM 0 HE1 HIS A 108 13.813 -4.912 2.918 1.00 0.00 H new ATOM 0 HE2 HIS A 108 12.428 -2.851 2.356 1.00 0.00 H new ATOM 1684 N TYR A 109 7.317 -8.069 0.671 1.00 0.00 N ATOM 1685 CA TYR A 109 6.535 -9.290 0.522 1.00 0.00 C ATOM 1686 C TYR A 109 6.456 -9.710 -0.943 1.00 0.00 C ATOM 1687 O TYR A 109 7.094 -10.678 -1.358 1.00 0.00 O ATOM 1688 CB TYR A 109 5.126 -9.091 1.084 1.00 0.00 C ATOM 1689 CG TYR A 109 4.169 -10.205 0.728 1.00 0.00 C ATOM 1690 CD1 TYR A 109 4.247 -11.442 1.358 1.00 0.00 C ATOM 1691 CD2 TYR A 109 3.185 -10.023 -0.236 1.00 0.00 C ATOM 1692 CE1 TYR A 109 3.375 -12.464 1.036 1.00 0.00 C ATOM 1693 CE2 TYR A 109 2.308 -11.038 -0.563 1.00 0.00 C ATOM 1694 CZ TYR A 109 2.408 -12.257 0.075 1.00 0.00 C ATOM 1695 OH TYR A 109 1.536 -13.272 -0.247 1.00 0.00 O ATOM 0 H TYR A 109 6.861 -7.341 1.222 1.00 0.00 H new ATOM 0 HA TYR A 109 7.033 -10.081 1.082 1.00 0.00 H new ATOM 0 HB2 TYR A 109 5.185 -9.007 2.169 1.00 0.00 H new ATOM 0 HB3 TYR A 109 4.726 -8.147 0.713 1.00 0.00 H new ATOM 0 HD1 TYR A 109 5.002 -11.607 2.112 1.00 0.00 H new ATOM 0 HD2 TYR A 109 3.105 -9.070 -0.739 1.00 0.00 H new ATOM 0 HE1 TYR A 109 3.450 -13.419 1.534 1.00 0.00 H new ATOM 0 HE2 TYR A 109 1.548 -10.879 -1.314 1.00 0.00 H new ATOM 0 HH TYR A 109 0.917 -12.963 -0.941 1.00 0.00 H new ATOM 1705 N PHE A 110 5.668 -8.976 -1.721 1.00 0.00 N ATOM 1706 CA PHE A 110 5.504 -9.272 -3.139 1.00 0.00 C ATOM 1707 C PHE A 110 6.855 -9.522 -3.803 1.00 0.00 C ATOM 1708 O PHE A 110 6.995 -10.422 -4.630 1.00 0.00 O ATOM 1709 CB PHE A 110 4.783 -8.119 -3.842 1.00 0.00 C ATOM 1710 CG PHE A 110 3.288 -8.260 -3.847 1.00 0.00 C ATOM 1711 CD1 PHE A 110 2.674 -9.231 -4.621 1.00 0.00 C ATOM 1712 CD2 PHE A 110 2.497 -7.423 -3.077 1.00 0.00 C ATOM 1713 CE1 PHE A 110 1.298 -9.363 -4.628 1.00 0.00 C ATOM 1714 CE2 PHE A 110 1.121 -7.550 -3.080 1.00 0.00 C ATOM 1715 CZ PHE A 110 0.521 -8.522 -3.856 1.00 0.00 C ATOM 0 H PHE A 110 5.133 -8.172 -1.393 1.00 0.00 H new ATOM 0 HA PHE A 110 4.903 -10.177 -3.228 1.00 0.00 H new ATOM 0 HB2 PHE A 110 5.050 -7.182 -3.353 1.00 0.00 H new ATOM 0 HB3 PHE A 110 5.137 -8.053 -4.871 1.00 0.00 H new ATOM 0 HD1 PHE A 110 3.277 -9.892 -5.226 1.00 0.00 H new ATOM 0 HD2 PHE A 110 2.961 -6.662 -2.467 1.00 0.00 H new ATOM 0 HE1 PHE A 110 0.831 -10.123 -5.237 1.00 0.00 H new ATOM 0 HE2 PHE A 110 0.516 -6.890 -2.476 1.00 0.00 H new ATOM 0 HZ PHE A 110 -0.554 -8.624 -3.859 1.00 0.00 H new ATOM 1725 N SER A 111 7.847 -8.717 -3.433 1.00 0.00 N ATOM 1726 CA SER A 111 9.186 -8.847 -3.995 1.00 0.00 C ATOM 1727 C SER A 111 9.735 -10.253 -3.770 1.00 0.00 C ATOM 1728 O SER A 111 10.254 -10.885 -4.691 1.00 0.00 O ATOM 1729 CB SER A 111 10.126 -7.815 -3.371 1.00 0.00 C ATOM 1730 OG SER A 111 11.476 -8.086 -3.706 1.00 0.00 O ATOM 0 H SER A 111 7.748 -7.969 -2.747 1.00 0.00 H new ATOM 0 HA SER A 111 9.122 -8.668 -5.068 1.00 0.00 H new ATOM 0 HB2 SER A 111 9.856 -6.817 -3.716 1.00 0.00 H new ATOM 0 HB3 SER A 111 10.009 -7.820 -2.287 1.00 0.00 H new ATOM 0 HG SER A 111 12.057 -7.411 -3.296 1.00 0.00 H new ATOM 1736 N LYS A 112 9.617 -10.737 -2.538 1.00 0.00 N ATOM 1737 CA LYS A 112 10.099 -12.069 -2.189 1.00 0.00 C ATOM 1738 C LYS A 112 9.791 -13.068 -3.300 1.00 0.00 C ATOM 1739 O LYS A 112 10.652 -13.849 -3.700 1.00 0.00 O ATOM 1740 CB LYS A 112 9.464 -12.536 -0.878 1.00 0.00 C ATOM 1741 CG LYS A 112 9.900 -11.727 0.331 1.00 0.00 C ATOM 1742 CD LYS A 112 9.827 -12.549 1.608 1.00 0.00 C ATOM 1743 CE LYS A 112 10.820 -12.053 2.647 1.00 0.00 C ATOM 1744 NZ LYS A 112 10.374 -12.364 4.034 1.00 0.00 N ATOM 0 H LYS A 112 9.192 -10.227 -1.764 1.00 0.00 H new ATOM 0 HA LYS A 112 11.180 -12.015 -2.063 1.00 0.00 H new ATOM 0 HB2 LYS A 112 8.379 -12.481 -0.970 1.00 0.00 H new ATOM 0 HB3 LYS A 112 9.717 -13.583 -0.714 1.00 0.00 H new ATOM 0 HG2 LYS A 112 10.920 -11.372 0.184 1.00 0.00 H new ATOM 0 HG3 LYS A 112 9.266 -10.845 0.428 1.00 0.00 H new ATOM 0 HD2 LYS A 112 8.817 -12.501 2.016 1.00 0.00 H new ATOM 0 HD3 LYS A 112 10.029 -13.596 1.380 1.00 0.00 H new ATOM 0 HE2 LYS A 112 11.793 -12.511 2.467 1.00 0.00 H new ATOM 0 HE3 LYS A 112 10.950 -10.976 2.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 11.078 -12.010 4.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 9.458 -11.906 4.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 10.275 -13.393 4.144 1.00 0.00 H new