USER MOD reduce.3.24.130724 H: found=0, std=0, add=686, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 687 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 82 SER OG : rot 180:sc= -3.25! USER MOD Set 1.2: A 86 THR OG1 : rot 180:sc= -0.0755 USER MOD Single : A 12 HIS : no HD1:sc= -4.26! C(o=-4.3!,f=-5.9!) USER MOD Single : A 20 ASN : amide:sc= -0.0167 X(o=-0.017,f=0) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot -55:sc= 0.0155 USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.048 USER MOD Single : A 51 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0545) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -3.03 X(o=-3,f=-3.1!) USER MOD Single : A 64 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.0443) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN : amide:sc= -1.03 K(o=-1,f=-2.1!) USER MOD Single : A 69 THR OG1 : rot -55:sc= -0.739 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 8:sc= 0.857 USER MOD Single : A 77 ASN : amide:sc= -4.08! C(o=-4.1!,f=-7.6!) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0.00359 USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 ASN : amide:sc= -1.87 X(o=-1.9,f=-2.3!) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 71 N VAL A 6 12.714 5.692 -1.383 1.00 0.00 N ATOM 72 CA VAL A 6 12.928 5.293 -0.007 1.00 0.00 C ATOM 73 C VAL A 6 14.168 4.413 0.113 1.00 0.00 C ATOM 74 O VAL A 6 14.484 3.644 -0.796 1.00 0.00 O ATOM 75 CB VAL A 6 11.703 4.527 0.527 1.00 0.00 C ATOM 76 CG1 VAL A 6 11.875 3.057 0.285 1.00 0.00 C ATOM 77 CG2 VAL A 6 11.461 4.816 2.005 1.00 0.00 C ATOM 0 HA VAL A 6 13.075 6.196 0.586 1.00 0.00 H new ATOM 0 HB VAL A 6 10.821 4.871 -0.014 1.00 0.00 H new ATOM 0 HG11 VAL A 6 11.005 2.521 0.665 1.00 0.00 H new ATOM 0 HG12 VAL A 6 11.975 2.874 -0.785 1.00 0.00 H new ATOM 0 HG13 VAL A 6 12.770 2.706 0.799 1.00 0.00 H new ATOM 0 HG21 VAL A 6 10.589 4.258 2.347 1.00 0.00 H new ATOM 0 HG22 VAL A 6 12.334 4.513 2.583 1.00 0.00 H new ATOM 0 HG23 VAL A 6 11.286 5.883 2.143 1.00 0.00 H new ATOM 87 N TRP A 7 14.857 4.519 1.239 1.00 0.00 N ATOM 88 CA TRP A 7 16.051 3.723 1.474 1.00 0.00 C ATOM 89 C TRP A 7 15.838 2.774 2.646 1.00 0.00 C ATOM 90 O TRP A 7 15.426 3.191 3.729 1.00 0.00 O ATOM 91 CB TRP A 7 17.249 4.636 1.728 1.00 0.00 C ATOM 92 CG TRP A 7 17.560 5.517 0.557 1.00 0.00 C ATOM 93 CD1 TRP A 7 17.001 6.730 0.271 1.00 0.00 C ATOM 94 CD2 TRP A 7 18.495 5.248 -0.494 1.00 0.00 C ATOM 95 NE1 TRP A 7 17.532 7.231 -0.892 1.00 0.00 N ATOM 96 CE2 TRP A 7 18.452 6.341 -1.380 1.00 0.00 C ATOM 97 CE3 TRP A 7 19.365 4.189 -0.769 1.00 0.00 C ATOM 98 CZ2 TRP A 7 19.248 6.404 -2.522 1.00 0.00 C ATOM 99 CZ3 TRP A 7 20.153 4.253 -1.902 1.00 0.00 C ATOM 100 CH2 TRP A 7 20.090 5.354 -2.767 1.00 0.00 C ATOM 0 H TRP A 7 14.610 5.148 2.003 1.00 0.00 H new ATOM 0 HA TRP A 7 16.254 3.124 0.586 1.00 0.00 H new ATOM 0 HB2 TRP A 7 17.050 5.256 2.602 1.00 0.00 H new ATOM 0 HB3 TRP A 7 18.122 4.027 1.962 1.00 0.00 H new ATOM 0 HD1 TRP A 7 16.251 7.223 0.872 1.00 0.00 H new ATOM 0 HE1 TRP A 7 17.282 8.121 -1.323 1.00 0.00 H new ATOM 0 HE3 TRP A 7 19.420 3.337 -0.108 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 19.202 7.252 -3.190 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 20.829 3.441 -2.125 1.00 0.00 H new ATOM 0 HH2 TRP A 7 20.719 5.374 -3.645 1.00 0.00 H new ATOM 111 N GLY A 8 16.115 1.494 2.421 1.00 0.00 N ATOM 112 CA GLY A 8 15.936 0.505 3.478 1.00 0.00 C ATOM 113 C GLY A 8 16.967 -0.604 3.422 1.00 0.00 C ATOM 114 O GLY A 8 17.849 -0.592 2.564 1.00 0.00 O ATOM 0 H GLY A 8 16.457 1.122 1.535 1.00 0.00 H new ATOM 0 HA2 GLY A 8 15.994 1.001 4.447 1.00 0.00 H new ATOM 0 HA3 GLY A 8 14.939 0.072 3.400 1.00 0.00 H new ATOM 118 N ALA A 9 16.863 -1.565 4.337 1.00 0.00 N ATOM 119 CA ALA A 9 17.804 -2.677 4.378 1.00 0.00 C ATOM 120 C ALA A 9 17.078 -4.014 4.417 1.00 0.00 C ATOM 121 O ALA A 9 16.124 -4.197 5.173 1.00 0.00 O ATOM 122 CB ALA A 9 18.732 -2.549 5.573 1.00 0.00 C ATOM 0 H ALA A 9 16.140 -1.595 5.056 1.00 0.00 H new ATOM 0 HA ALA A 9 18.399 -2.641 3.465 1.00 0.00 H new ATOM 0 HB1 ALA A 9 19.427 -3.389 5.586 1.00 0.00 H new ATOM 0 HB2 ALA A 9 19.291 -1.616 5.501 1.00 0.00 H new ATOM 0 HB3 ALA A 9 18.145 -2.550 6.491 1.00 0.00 H new ATOM 128 N LEU A 10 17.544 -4.949 3.601 1.00 0.00 N ATOM 129 CA LEU A 10 16.943 -6.279 3.538 1.00 0.00 C ATOM 130 C LEU A 10 16.917 -6.925 4.917 1.00 0.00 C ATOM 131 O LEU A 10 17.901 -6.882 5.654 1.00 0.00 O ATOM 132 CB LEU A 10 17.717 -7.162 2.557 1.00 0.00 C ATOM 133 CG LEU A 10 16.859 -8.018 1.622 1.00 0.00 C ATOM 134 CD1 LEU A 10 16.361 -7.194 0.445 1.00 0.00 C ATOM 135 CD2 LEU A 10 17.653 -9.216 1.133 1.00 0.00 C ATOM 0 H LEU A 10 18.336 -4.814 2.973 1.00 0.00 H new ATOM 0 HA LEU A 10 15.916 -6.175 3.187 1.00 0.00 H new ATOM 0 HB2 LEU A 10 18.359 -6.524 1.950 1.00 0.00 H new ATOM 0 HB3 LEU A 10 18.371 -7.822 3.127 1.00 0.00 H new ATOM 0 HG LEU A 10 15.992 -8.376 2.178 1.00 0.00 H new ATOM 0 HD11 LEU A 10 15.753 -7.821 -0.207 1.00 0.00 H new ATOM 0 HD12 LEU A 10 15.760 -6.362 0.812 1.00 0.00 H new ATOM 0 HD13 LEU A 10 17.213 -6.807 -0.114 1.00 0.00 H new ATOM 0 HD21 LEU A 10 17.032 -9.817 0.469 1.00 0.00 H new ATOM 0 HD22 LEU A 10 18.535 -8.872 0.593 1.00 0.00 H new ATOM 0 HD23 LEU A 10 17.963 -9.820 1.986 1.00 0.00 H new ATOM 147 N GLY A 11 15.780 -7.517 5.259 1.00 0.00 N ATOM 148 CA GLY A 11 15.642 -8.156 6.551 1.00 0.00 C ATOM 149 C GLY A 11 15.178 -7.193 7.627 1.00 0.00 C ATOM 150 O GLY A 11 14.861 -7.608 8.741 1.00 0.00 O ATOM 0 H GLY A 11 14.952 -7.566 4.665 1.00 0.00 H new ATOM 0 HA2 GLY A 11 14.931 -8.978 6.472 1.00 0.00 H new ATOM 0 HA3 GLY A 11 16.599 -8.589 6.843 1.00 0.00 H new ATOM 154 N HIS A 12 15.136 -5.901 7.299 1.00 0.00 N ATOM 155 CA HIS A 12 14.708 -4.891 8.248 1.00 0.00 C ATOM 156 C HIS A 12 13.316 -4.383 7.872 1.00 0.00 C ATOM 157 O HIS A 12 12.820 -4.661 6.776 1.00 0.00 O ATOM 158 CB HIS A 12 15.748 -3.761 8.285 1.00 0.00 C ATOM 159 CG HIS A 12 15.189 -2.387 8.455 1.00 0.00 C ATOM 160 ND1 HIS A 12 14.850 -1.596 7.387 1.00 0.00 N ATOM 161 CD2 HIS A 12 14.944 -1.652 9.564 1.00 0.00 C ATOM 162 CE1 HIS A 12 14.423 -0.424 7.825 1.00 0.00 C ATOM 163 NE2 HIS A 12 14.469 -0.434 9.145 1.00 0.00 N ATOM 0 H HIS A 12 15.394 -5.537 6.382 1.00 0.00 H new ATOM 0 HA HIS A 12 14.638 -5.316 9.249 1.00 0.00 H new ATOM 0 HB2 HIS A 12 16.444 -3.956 9.101 1.00 0.00 H new ATOM 0 HB3 HIS A 12 16.325 -3.789 7.360 1.00 0.00 H new ATOM 0 HD2 HIS A 12 15.094 -1.965 10.587 1.00 0.00 H new ATOM 0 HE1 HIS A 12 14.093 0.400 7.209 1.00 0.00 H new ATOM 0 HE2 HIS A 12 14.196 0.338 9.754 1.00 0.00 H new ATOM 172 N GLY A 13 12.686 -3.655 8.787 1.00 0.00 N ATOM 173 CA GLY A 13 11.352 -3.135 8.531 1.00 0.00 C ATOM 174 C GLY A 13 11.348 -2.031 7.494 1.00 0.00 C ATOM 175 O GLY A 13 12.375 -1.749 6.887 1.00 0.00 O ATOM 0 H GLY A 13 13.072 -3.415 9.700 1.00 0.00 H new ATOM 0 HA2 GLY A 13 10.708 -3.947 8.195 1.00 0.00 H new ATOM 0 HA3 GLY A 13 10.929 -2.757 9.461 1.00 0.00 H new ATOM 179 N ILE A 14 10.185 -1.412 7.292 1.00 0.00 N ATOM 180 CA ILE A 14 10.028 -0.325 6.323 1.00 0.00 C ATOM 181 C ILE A 14 8.554 -0.133 5.974 1.00 0.00 C ATOM 182 O ILE A 14 7.820 -1.105 5.778 1.00 0.00 O ATOM 183 CB ILE A 14 10.835 -0.581 5.028 1.00 0.00 C ATOM 184 CG1 ILE A 14 10.751 0.621 4.086 1.00 0.00 C ATOM 185 CG2 ILE A 14 10.346 -1.840 4.334 1.00 0.00 C ATOM 186 CD1 ILE A 14 11.988 1.492 4.123 1.00 0.00 C ATOM 0 H ILE A 14 9.328 -1.648 7.792 1.00 0.00 H new ATOM 0 HA ILE A 14 10.417 0.579 6.790 1.00 0.00 H new ATOM 0 HB ILE A 14 11.880 -0.723 5.302 1.00 0.00 H new ATOM 0 HG12 ILE A 14 10.594 0.266 3.067 1.00 0.00 H new ATOM 0 HG13 ILE A 14 9.882 1.223 4.351 1.00 0.00 H new ATOM 0 HG21 ILE A 14 10.926 -2.003 3.425 1.00 0.00 H new ATOM 0 HG22 ILE A 14 10.468 -2.694 5.001 1.00 0.00 H new ATOM 0 HG23 ILE A 14 9.293 -1.728 4.077 1.00 0.00 H new ATOM 0 HD11 ILE A 14 11.866 2.327 3.433 1.00 0.00 H new ATOM 0 HD12 ILE A 14 12.134 1.874 5.133 1.00 0.00 H new ATOM 0 HD13 ILE A 14 12.857 0.903 3.829 1.00 0.00 H new ATOM 198 N ASP A 15 8.119 1.123 5.915 1.00 0.00 N ATOM 199 CA ASP A 15 6.728 1.429 5.604 1.00 0.00 C ATOM 200 C ASP A 15 6.616 2.376 4.414 1.00 0.00 C ATOM 201 O ASP A 15 7.173 3.475 4.424 1.00 0.00 O ATOM 202 CB ASP A 15 6.037 2.044 6.825 1.00 0.00 C ATOM 203 CG ASP A 15 4.575 2.357 6.571 1.00 0.00 C ATOM 204 OD1 ASP A 15 4.289 3.148 5.648 1.00 0.00 O ATOM 205 OD2 ASP A 15 3.717 1.811 7.295 1.00 0.00 O ATOM 0 H ASP A 15 8.707 1.940 6.078 1.00 0.00 H new ATOM 0 HA ASP A 15 6.234 0.494 5.339 1.00 0.00 H new ATOM 0 HB2 ASP A 15 6.117 1.357 7.667 1.00 0.00 H new ATOM 0 HB3 ASP A 15 6.557 2.959 7.110 1.00 0.00 H new ATOM 210 N LEU A 16 5.877 1.947 3.394 1.00 0.00 N ATOM 211 CA LEU A 16 5.670 2.758 2.198 1.00 0.00 C ATOM 212 C LEU A 16 4.605 3.817 2.471 1.00 0.00 C ATOM 213 O LEU A 16 3.435 3.493 2.671 1.00 0.00 O ATOM 214 CB LEU A 16 5.233 1.864 1.022 1.00 0.00 C ATOM 215 CG LEU A 16 6.234 1.664 -0.139 1.00 0.00 C ATOM 216 CD1 LEU A 16 7.588 2.307 0.131 1.00 0.00 C ATOM 217 CD2 LEU A 16 6.411 0.181 -0.427 1.00 0.00 C ATOM 0 H LEU A 16 5.411 1.040 3.372 1.00 0.00 H new ATOM 0 HA LEU A 16 6.606 3.251 1.936 1.00 0.00 H new ATOM 0 HB2 LEU A 16 4.983 0.881 1.422 1.00 0.00 H new ATOM 0 HB3 LEU A 16 4.316 2.281 0.606 1.00 0.00 H new ATOM 0 HG LEU A 16 5.812 2.164 -1.011 1.00 0.00 H new ATOM 0 HD11 LEU A 16 8.249 2.134 -0.718 1.00 0.00 H new ATOM 0 HD12 LEU A 16 7.459 3.379 0.278 1.00 0.00 H new ATOM 0 HD13 LEU A 16 8.027 1.869 1.027 1.00 0.00 H new ATOM 0 HD21 LEU A 16 7.118 0.051 -1.246 1.00 0.00 H new ATOM 0 HD22 LEU A 16 6.792 -0.320 0.463 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.450 -0.253 -0.705 1.00 0.00 H new ATOM 229 N ASP A 17 5.016 5.081 2.496 1.00 0.00 N ATOM 230 CA ASP A 17 4.088 6.173 2.765 1.00 0.00 C ATOM 231 C ASP A 17 3.529 6.774 1.479 1.00 0.00 C ATOM 232 O ASP A 17 4.275 7.203 0.599 1.00 0.00 O ATOM 233 CB ASP A 17 4.766 7.261 3.595 1.00 0.00 C ATOM 234 CG ASP A 17 4.906 6.871 5.054 1.00 0.00 C ATOM 235 OD1 ASP A 17 4.030 6.138 5.561 1.00 0.00 O ATOM 236 OD2 ASP A 17 5.894 7.297 5.689 1.00 0.00 O ATOM 0 H ASP A 17 5.980 5.373 2.334 1.00 0.00 H new ATOM 0 HA ASP A 17 3.254 5.756 3.330 1.00 0.00 H new ATOM 0 HB2 ASP A 17 5.753 7.469 3.181 1.00 0.00 H new ATOM 0 HB3 ASP A 17 4.189 8.183 3.522 1.00 0.00 H new ATOM 241 N ILE A 18 2.204 6.803 1.393 1.00 0.00 N ATOM 242 CA ILE A 18 1.507 7.349 0.237 1.00 0.00 C ATOM 243 C ILE A 18 1.412 8.873 0.316 1.00 0.00 C ATOM 244 O ILE A 18 0.835 9.414 1.258 1.00 0.00 O ATOM 245 CB ILE A 18 0.085 6.769 0.150 1.00 0.00 C ATOM 246 CG1 ILE A 18 0.141 5.243 0.110 1.00 0.00 C ATOM 247 CG2 ILE A 18 -0.655 7.314 -1.066 1.00 0.00 C ATOM 248 CD1 ILE A 18 -1.078 4.615 -0.518 1.00 0.00 C ATOM 0 H ILE A 18 1.585 6.449 2.122 1.00 0.00 H new ATOM 0 HA ILE A 18 2.078 7.074 -0.650 1.00 0.00 H new ATOM 0 HB ILE A 18 -0.466 7.075 1.039 1.00 0.00 H new ATOM 0 HG12 ILE A 18 1.027 4.934 -0.445 1.00 0.00 H new ATOM 0 HG13 ILE A 18 0.253 4.864 1.126 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -1.657 6.888 -1.103 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -0.725 8.399 -0.993 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -0.113 7.045 -1.973 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -0.972 3.530 -0.514 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -1.965 4.895 0.050 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -1.180 4.965 -1.545 1.00 0.00 H new ATOM 260 N PRO A 19 1.977 9.591 -0.672 1.00 0.00 N ATOM 261 CA PRO A 19 1.946 11.058 -0.691 1.00 0.00 C ATOM 262 C PRO A 19 0.525 11.623 -0.715 1.00 0.00 C ATOM 263 O PRO A 19 -0.307 11.213 -1.525 1.00 0.00 O ATOM 264 CB PRO A 19 2.686 11.422 -1.985 1.00 0.00 C ATOM 265 CG PRO A 19 3.499 10.217 -2.315 1.00 0.00 C ATOM 266 CD PRO A 19 2.699 9.042 -1.836 1.00 0.00 C ATOM 0 HA PRO A 19 2.399 11.476 0.208 1.00 0.00 H new ATOM 0 HB2 PRO A 19 1.986 11.658 -2.787 1.00 0.00 H new ATOM 0 HB3 PRO A 19 3.318 12.299 -1.845 1.00 0.00 H new ATOM 0 HG2 PRO A 19 3.686 10.152 -3.387 1.00 0.00 H new ATOM 0 HG3 PRO A 19 4.471 10.255 -1.824 1.00 0.00 H new ATOM 0 HD2 PRO A 19 2.014 8.679 -2.603 1.00 0.00 H new ATOM 0 HD3 PRO A 19 3.338 8.204 -1.557 1.00 0.00 H new ATOM 274 N ASN A 20 0.270 12.580 0.173 1.00 0.00 N ATOM 275 CA ASN A 20 -1.033 13.243 0.271 1.00 0.00 C ATOM 276 C ASN A 20 -2.212 12.266 0.172 1.00 0.00 C ATOM 277 O ASN A 20 -2.999 12.328 -0.773 1.00 0.00 O ATOM 278 CB ASN A 20 -1.157 14.310 -0.817 1.00 0.00 C ATOM 279 CG ASN A 20 -0.181 15.454 -0.618 1.00 0.00 C ATOM 280 OD1 ASN A 20 0.659 15.724 -1.476 1.00 0.00 O ATOM 281 ND2 ASN A 20 -0.289 16.132 0.518 1.00 0.00 N ATOM 0 H ASN A 20 0.958 12.919 0.845 1.00 0.00 H new ATOM 0 HA ASN A 20 -1.080 13.702 1.259 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -0.984 13.853 -1.791 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -2.174 14.701 -0.825 1.00 0.00 H new ATOM 0 HD21 ASN A 20 0.340 16.912 0.708 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -1.001 15.873 1.201 1.00 0.00 H new ATOM 288 N PHE A 21 -2.338 11.376 1.154 1.00 0.00 N ATOM 289 CA PHE A 21 -3.425 10.410 1.177 1.00 0.00 C ATOM 290 C PHE A 21 -3.925 10.197 2.605 1.00 0.00 C ATOM 291 O PHE A 21 -3.160 10.308 3.563 1.00 0.00 O ATOM 292 CB PHE A 21 -2.953 9.095 0.567 1.00 0.00 C ATOM 293 CG PHE A 21 -3.734 7.891 1.004 1.00 0.00 C ATOM 294 CD1 PHE A 21 -5.056 7.738 0.636 1.00 0.00 C ATOM 295 CD2 PHE A 21 -3.142 6.923 1.790 1.00 0.00 C ATOM 296 CE1 PHE A 21 -5.778 6.633 1.048 1.00 0.00 C ATOM 297 CE2 PHE A 21 -3.853 5.815 2.205 1.00 0.00 C ATOM 298 CZ PHE A 21 -5.175 5.669 1.834 1.00 0.00 C ATOM 0 H PHE A 21 -1.697 11.307 1.944 1.00 0.00 H new ATOM 0 HA PHE A 21 -4.256 10.795 0.586 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -3.007 9.173 -0.519 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -1.904 8.945 0.824 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -5.530 8.488 0.021 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -2.109 7.034 2.084 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -6.812 6.523 0.756 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -3.377 5.064 2.818 1.00 0.00 H new ATOM 0 HZ PHE A 21 -5.736 4.804 2.157 1.00 0.00 H new ATOM 308 N GLN A 22 -5.211 9.891 2.737 1.00 0.00 N ATOM 309 CA GLN A 22 -5.811 9.663 4.047 1.00 0.00 C ATOM 310 C GLN A 22 -6.771 8.480 4.007 1.00 0.00 C ATOM 311 O GLN A 22 -7.776 8.505 3.296 1.00 0.00 O ATOM 312 CB GLN A 22 -6.550 10.918 4.518 1.00 0.00 C ATOM 313 CG GLN A 22 -5.675 11.874 5.313 1.00 0.00 C ATOM 314 CD GLN A 22 -6.299 13.250 5.457 1.00 0.00 C ATOM 315 OE1 GLN A 22 -5.825 14.223 4.870 1.00 0.00 O ATOM 316 NE2 GLN A 22 -7.366 13.337 6.241 1.00 0.00 N ATOM 0 H GLN A 22 -5.858 9.795 1.954 1.00 0.00 H new ATOM 0 HA GLN A 22 -5.010 9.435 4.751 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -6.951 11.441 3.650 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -7.400 10.621 5.132 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -5.492 11.456 6.303 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -4.706 11.968 4.823 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -7.725 12.504 6.708 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -7.827 14.237 6.377 1.00 0.00 H new ATOM 325 N MET A 23 -6.456 7.442 4.775 1.00 0.00 N ATOM 326 CA MET A 23 -7.291 6.248 4.829 1.00 0.00 C ATOM 327 C MET A 23 -8.476 6.455 5.767 1.00 0.00 C ATOM 328 O MET A 23 -8.487 5.951 6.891 1.00 0.00 O ATOM 329 CB MET A 23 -6.467 5.043 5.285 1.00 0.00 C ATOM 330 CG MET A 23 -7.258 3.746 5.332 1.00 0.00 C ATOM 331 SD MET A 23 -7.015 2.730 3.863 1.00 0.00 S ATOM 332 CE MET A 23 -8.178 1.403 4.175 1.00 0.00 C ATOM 0 H MET A 23 -5.628 7.404 5.369 1.00 0.00 H new ATOM 0 HA MET A 23 -7.674 6.057 3.826 1.00 0.00 H new ATOM 0 HB2 MET A 23 -5.619 4.917 4.611 1.00 0.00 H new ATOM 0 HB3 MET A 23 -6.060 5.246 6.275 1.00 0.00 H new ATOM 0 HG2 MET A 23 -6.964 3.178 6.215 1.00 0.00 H new ATOM 0 HG3 MET A 23 -8.318 3.975 5.439 1.00 0.00 H new ATOM 0 HE1 MET A 23 -8.145 0.690 3.352 1.00 0.00 H new ATOM 0 HE2 MET A 23 -7.913 0.898 5.104 1.00 0.00 H new ATOM 0 HE3 MET A 23 -9.184 1.813 4.260 1.00 0.00 H new ATOM 342 N THR A 24 -9.472 7.199 5.298 1.00 0.00 N ATOM 343 CA THR A 24 -10.663 7.473 6.094 1.00 0.00 C ATOM 344 C THR A 24 -11.883 6.771 5.507 1.00 0.00 C ATOM 345 O THR A 24 -11.766 5.982 4.569 1.00 0.00 O ATOM 346 CB THR A 24 -10.915 8.979 6.171 1.00 0.00 C ATOM 347 OG1 THR A 24 -11.249 9.497 4.896 1.00 0.00 O ATOM 348 CG2 THR A 24 -9.723 9.760 6.685 1.00 0.00 C ATOM 0 H THR A 24 -9.478 7.623 4.370 1.00 0.00 H new ATOM 0 HA THR A 24 -10.494 7.088 7.100 1.00 0.00 H new ATOM 0 HB THR A 24 -11.739 9.098 6.875 1.00 0.00 H new ATOM 0 HG1 THR A 24 -11.408 10.461 4.966 1.00 0.00 H new ATOM 0 HG21 THR A 24 -9.969 10.821 6.715 1.00 0.00 H new ATOM 0 HG22 THR A 24 -9.469 9.418 7.688 1.00 0.00 H new ATOM 0 HG23 THR A 24 -8.872 9.603 6.022 1.00 0.00 H new ATOM 356 N ASP A 25 -13.054 7.063 6.065 1.00 0.00 N ATOM 357 CA ASP A 25 -14.296 6.460 5.595 1.00 0.00 C ATOM 358 C ASP A 25 -14.519 6.753 4.115 1.00 0.00 C ATOM 359 O ASP A 25 -15.123 5.957 3.398 1.00 0.00 O ATOM 360 CB ASP A 25 -15.481 6.978 6.414 1.00 0.00 C ATOM 361 CG ASP A 25 -15.568 8.492 6.408 1.00 0.00 C ATOM 362 OD1 ASP A 25 -16.189 9.047 5.477 1.00 0.00 O ATOM 363 OD2 ASP A 25 -15.018 9.122 7.335 1.00 0.00 O ATOM 0 H ASP A 25 -13.168 7.713 6.843 1.00 0.00 H new ATOM 0 HA ASP A 25 -14.217 5.381 5.724 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -16.406 6.562 6.014 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -15.391 6.626 7.442 1.00 0.00 H new ATOM 368 N ASP A 26 -14.025 7.903 3.664 1.00 0.00 N ATOM 369 CA ASP A 26 -14.169 8.302 2.270 1.00 0.00 C ATOM 370 C ASP A 26 -13.468 7.311 1.344 1.00 0.00 C ATOM 371 O ASP A 26 -13.861 7.140 0.190 1.00 0.00 O ATOM 372 CB ASP A 26 -13.601 9.706 2.057 1.00 0.00 C ATOM 373 CG ASP A 26 -14.411 10.513 1.062 1.00 0.00 C ATOM 374 OD1 ASP A 26 -15.651 10.558 1.203 1.00 0.00 O ATOM 375 OD2 ASP A 26 -13.804 11.103 0.142 1.00 0.00 O ATOM 0 H ASP A 26 -13.522 8.574 4.245 1.00 0.00 H new ATOM 0 HA ASP A 26 -15.232 8.308 2.029 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -13.574 10.232 3.011 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -12.572 9.629 1.706 1.00 0.00 H new ATOM 380 N ILE A 27 -12.429 6.661 1.858 1.00 0.00 N ATOM 381 CA ILE A 27 -11.674 5.692 1.086 1.00 0.00 C ATOM 382 C ILE A 27 -12.308 4.298 1.210 1.00 0.00 C ATOM 383 O ILE A 27 -12.538 3.823 2.322 1.00 0.00 O ATOM 384 CB ILE A 27 -10.213 5.643 1.571 1.00 0.00 C ATOM 385 CG1 ILE A 27 -9.566 7.028 1.452 1.00 0.00 C ATOM 386 CG2 ILE A 27 -9.417 4.616 0.784 1.00 0.00 C ATOM 387 CD1 ILE A 27 -9.724 7.661 0.085 1.00 0.00 C ATOM 0 H ILE A 27 -12.092 6.792 2.812 1.00 0.00 H new ATOM 0 HA ILE A 27 -11.692 5.998 0.040 1.00 0.00 H new ATOM 0 HB ILE A 27 -10.210 5.345 2.619 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -10.003 7.689 2.201 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -8.504 6.944 1.683 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -8.388 4.599 1.144 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -9.864 3.631 0.916 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -9.427 4.880 -0.273 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -9.241 8.638 0.078 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -9.261 7.022 -0.667 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -10.784 7.779 -0.141 1.00 0.00 H new ATOM 399 N ASP A 28 -12.606 3.645 0.080 1.00 0.00 N ATOM 400 CA ASP A 28 -13.226 2.328 0.111 1.00 0.00 C ATOM 401 C ASP A 28 -12.293 1.240 -0.413 1.00 0.00 C ATOM 402 O ASP A 28 -12.244 0.146 0.151 1.00 0.00 O ATOM 403 CB ASP A 28 -14.519 2.338 -0.709 1.00 0.00 C ATOM 404 CG ASP A 28 -15.726 1.925 0.111 1.00 0.00 C ATOM 405 OD1 ASP A 28 -15.703 2.124 1.343 1.00 0.00 O ATOM 406 OD2 ASP A 28 -16.694 1.403 -0.481 1.00 0.00 O ATOM 0 H ASP A 28 -12.427 4.009 -0.856 1.00 0.00 H new ATOM 0 HA ASP A 28 -13.449 2.099 1.153 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -14.682 3.337 -1.113 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -14.412 1.664 -1.559 1.00 0.00 H new ATOM 411 N GLU A 29 -11.568 1.515 -1.500 1.00 0.00 N ATOM 412 CA GLU A 29 -10.678 0.504 -2.064 1.00 0.00 C ATOM 413 C GLU A 29 -9.241 1.015 -2.217 1.00 0.00 C ATOM 414 O GLU A 29 -8.983 1.956 -2.966 1.00 0.00 O ATOM 415 CB GLU A 29 -11.222 0.035 -3.418 1.00 0.00 C ATOM 416 CG GLU A 29 -10.536 -1.206 -3.966 1.00 0.00 C ATOM 417 CD GLU A 29 -11.208 -1.736 -5.218 1.00 0.00 C ATOM 418 OE1 GLU A 29 -11.916 -0.954 -5.888 1.00 0.00 O ATOM 419 OE2 GLU A 29 -11.025 -2.931 -5.529 1.00 0.00 O ATOM 0 H GLU A 29 -11.579 2.407 -1.995 1.00 0.00 H new ATOM 0 HA GLU A 29 -10.647 -0.335 -1.368 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -12.289 -0.166 -3.319 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -11.116 0.845 -4.140 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -9.494 -0.974 -4.187 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -10.534 -1.983 -3.202 1.00 0.00 H new ATOM 426 N VAL A 30 -8.305 0.364 -1.517 1.00 0.00 N ATOM 427 CA VAL A 30 -6.885 0.728 -1.592 1.00 0.00 C ATOM 428 C VAL A 30 -6.064 -0.467 -2.065 1.00 0.00 C ATOM 429 O VAL A 30 -6.036 -1.501 -1.405 1.00 0.00 O ATOM 430 CB VAL A 30 -6.321 1.212 -0.234 1.00 0.00 C ATOM 431 CG1 VAL A 30 -4.895 1.717 -0.400 1.00 0.00 C ATOM 432 CG2 VAL A 30 -7.213 2.290 0.362 1.00 0.00 C ATOM 0 H VAL A 30 -8.505 -0.417 -0.892 1.00 0.00 H new ATOM 0 HA VAL A 30 -6.811 1.553 -2.301 1.00 0.00 H new ATOM 0 HB VAL A 30 -6.305 0.368 0.455 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -4.514 2.053 0.564 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -4.265 0.912 -0.778 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -4.883 2.548 -1.105 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.800 2.617 1.316 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -7.265 3.138 -0.321 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -8.214 1.888 0.519 1.00 0.00 H new ATOM 442 N ARG A 31 -5.410 -0.334 -3.216 1.00 0.00 N ATOM 443 CA ARG A 31 -4.615 -1.435 -3.760 1.00 0.00 C ATOM 444 C ARG A 31 -3.130 -1.095 -3.829 1.00 0.00 C ATOM 445 O ARG A 31 -2.743 -0.007 -4.254 1.00 0.00 O ATOM 446 CB ARG A 31 -5.115 -1.832 -5.156 1.00 0.00 C ATOM 447 CG ARG A 31 -6.602 -1.587 -5.374 1.00 0.00 C ATOM 448 CD ARG A 31 -7.268 -2.774 -6.054 1.00 0.00 C ATOM 449 NE ARG A 31 -7.245 -2.654 -7.510 1.00 0.00 N ATOM 450 CZ ARG A 31 -8.123 -1.940 -8.211 1.00 0.00 C ATOM 451 NH1 ARG A 31 -9.094 -1.277 -7.594 1.00 0.00 N ATOM 452 NH2 ARG A 31 -8.031 -1.889 -9.533 1.00 0.00 N ATOM 0 H ARG A 31 -5.413 0.513 -3.785 1.00 0.00 H new ATOM 0 HA ARG A 31 -4.738 -2.275 -3.077 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -4.552 -1.275 -5.905 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -4.903 -2.889 -5.320 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -7.085 -1.397 -4.415 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -6.739 -0.693 -5.983 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -6.761 -3.693 -5.758 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -8.300 -2.855 -5.713 1.00 0.00 H new ATOM 0 HE ARG A 31 -6.512 -3.147 -8.020 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -9.170 -1.313 -6.577 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -9.764 -0.732 -8.137 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -7.288 -2.397 -10.012 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -8.704 -1.342 -10.070 1.00 0.00 H new ATOM 466 N TRP A 32 -2.308 -2.062 -3.434 1.00 0.00 N ATOM 467 CA TRP A 32 -0.858 -1.919 -3.468 1.00 0.00 C ATOM 468 C TRP A 32 -0.299 -2.864 -4.522 1.00 0.00 C ATOM 469 O TRP A 32 0.039 -4.012 -4.226 1.00 0.00 O ATOM 470 CB TRP A 32 -0.245 -2.240 -2.100 1.00 0.00 C ATOM 471 CG TRP A 32 -0.395 -1.147 -1.078 1.00 0.00 C ATOM 472 CD1 TRP A 32 -1.438 -0.960 -0.210 1.00 0.00 C ATOM 473 CD2 TRP A 32 0.540 -0.095 -0.809 1.00 0.00 C ATOM 474 NE1 TRP A 32 -1.205 0.143 0.577 1.00 0.00 N ATOM 475 CE2 TRP A 32 0.002 0.692 0.226 1.00 0.00 C ATOM 476 CE3 TRP A 32 1.779 0.256 -1.347 1.00 0.00 C ATOM 477 CZ2 TRP A 32 0.664 1.809 0.733 1.00 0.00 C ATOM 478 CZ3 TRP A 32 2.434 1.364 -0.844 1.00 0.00 C ATOM 479 CH2 TRP A 32 1.875 2.129 0.186 1.00 0.00 C ATOM 0 H TRP A 32 -2.628 -2.964 -3.082 1.00 0.00 H new ATOM 0 HA TRP A 32 -0.605 -0.888 -3.716 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -0.707 -3.148 -1.713 1.00 0.00 H new ATOM 0 HB3 TRP A 32 0.816 -2.454 -2.232 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -2.315 -1.587 -0.152 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -1.828 0.496 1.303 1.00 0.00 H new ATOM 0 HE3 TRP A 32 2.218 -0.328 -2.142 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 0.236 2.400 1.529 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 3.394 1.644 -1.253 1.00 0.00 H new ATOM 0 HH2 TRP A 32 2.412 2.990 0.556 1.00 0.00 H new ATOM 490 N GLU A 33 -0.237 -2.391 -5.763 1.00 0.00 N ATOM 491 CA GLU A 33 0.243 -3.216 -6.864 1.00 0.00 C ATOM 492 C GLU A 33 1.684 -2.897 -7.239 1.00 0.00 C ATOM 493 O GLU A 33 2.145 -1.764 -7.104 1.00 0.00 O ATOM 494 CB GLU A 33 -0.659 -3.039 -8.086 1.00 0.00 C ATOM 495 CG GLU A 33 -2.119 -3.362 -7.816 1.00 0.00 C ATOM 496 CD GLU A 33 -3.007 -3.092 -9.015 1.00 0.00 C ATOM 497 OE1 GLU A 33 -2.924 -1.980 -9.577 1.00 0.00 O ATOM 498 OE2 GLU A 33 -3.786 -3.993 -9.392 1.00 0.00 O ATOM 0 H GLU A 33 -0.512 -1.446 -6.030 1.00 0.00 H new ATOM 0 HA GLU A 33 0.212 -4.252 -6.527 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -0.582 -2.010 -8.438 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -0.297 -3.679 -8.890 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -2.209 -4.410 -7.531 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.468 -2.770 -6.970 1.00 0.00 H new ATOM 505 N ARG A 34 2.378 -3.917 -7.728 1.00 0.00 N ATOM 506 CA ARG A 34 3.763 -3.786 -8.154 1.00 0.00 C ATOM 507 C ARG A 34 3.993 -4.632 -9.401 1.00 0.00 C ATOM 508 O ARG A 34 3.833 -5.854 -9.368 1.00 0.00 O ATOM 509 CB ARG A 34 4.712 -4.224 -7.036 1.00 0.00 C ATOM 510 CG ARG A 34 6.178 -3.967 -7.348 1.00 0.00 C ATOM 511 CD ARG A 34 7.084 -4.928 -6.597 1.00 0.00 C ATOM 512 NE ARG A 34 7.498 -6.055 -7.432 1.00 0.00 N ATOM 513 CZ ARG A 34 8.458 -5.984 -8.350 1.00 0.00 C ATOM 514 NH1 ARG A 34 9.107 -4.845 -8.556 1.00 0.00 N ATOM 515 NH2 ARG A 34 8.772 -7.057 -9.065 1.00 0.00 N ATOM 0 H ARG A 34 1.996 -4.856 -7.840 1.00 0.00 H new ATOM 0 HA ARG A 34 3.966 -2.740 -8.384 1.00 0.00 H new ATOM 0 HB2 ARG A 34 4.447 -3.699 -6.119 1.00 0.00 H new ATOM 0 HB3 ARG A 34 4.570 -5.288 -6.846 1.00 0.00 H new ATOM 0 HG2 ARG A 34 6.346 -4.069 -8.420 1.00 0.00 H new ATOM 0 HG3 ARG A 34 6.433 -2.941 -7.082 1.00 0.00 H new ATOM 0 HD2 ARG A 34 7.967 -4.394 -6.245 1.00 0.00 H new ATOM 0 HD3 ARG A 34 6.564 -5.302 -5.715 1.00 0.00 H new ATOM 0 HE ARG A 34 7.023 -6.948 -7.303 1.00 0.00 H new ATOM 0 HH11 ARG A 34 8.871 -4.017 -8.009 1.00 0.00 H new ATOM 0 HH12 ARG A 34 9.842 -4.797 -9.261 1.00 0.00 H new ATOM 0 HH21 ARG A 34 8.277 -7.936 -8.910 1.00 0.00 H new ATOM 0 HH22 ARG A 34 9.508 -7.003 -9.769 1.00 0.00 H new ATOM 529 N GLY A 35 4.345 -3.981 -10.504 1.00 0.00 N ATOM 530 CA GLY A 35 4.561 -4.706 -11.740 1.00 0.00 C ATOM 531 C GLY A 35 3.333 -5.488 -12.153 1.00 0.00 C ATOM 532 O GLY A 35 2.285 -4.911 -12.440 1.00 0.00 O ATOM 0 H GLY A 35 4.484 -2.972 -10.564 1.00 0.00 H new ATOM 0 HA2 GLY A 35 4.829 -4.005 -12.531 1.00 0.00 H new ATOM 0 HA3 GLY A 35 5.403 -5.388 -11.619 1.00 0.00 H new ATOM 536 N SER A 36 3.464 -6.803 -12.170 1.00 0.00 N ATOM 537 CA SER A 36 2.357 -7.679 -12.536 1.00 0.00 C ATOM 538 C SER A 36 1.991 -8.600 -11.374 1.00 0.00 C ATOM 539 O SER A 36 1.786 -9.799 -11.561 1.00 0.00 O ATOM 540 CB SER A 36 2.722 -8.509 -13.768 1.00 0.00 C ATOM 541 OG SER A 36 1.562 -9.020 -14.402 1.00 0.00 O ATOM 0 H SER A 36 4.328 -7.292 -11.934 1.00 0.00 H new ATOM 0 HA SER A 36 1.493 -7.058 -12.771 1.00 0.00 H new ATOM 0 HB2 SER A 36 3.283 -7.894 -14.471 1.00 0.00 H new ATOM 0 HB3 SER A 36 3.373 -9.333 -13.475 1.00 0.00 H new ATOM 0 HG SER A 36 1.028 -9.522 -13.752 1.00 0.00 H new ATOM 547 N THR A 37 1.922 -8.034 -10.170 1.00 0.00 N ATOM 548 CA THR A 37 1.591 -8.812 -8.980 1.00 0.00 C ATOM 549 C THR A 37 0.913 -7.945 -7.920 1.00 0.00 C ATOM 550 O THR A 37 1.037 -6.721 -7.932 1.00 0.00 O ATOM 551 CB THR A 37 2.865 -9.439 -8.405 1.00 0.00 C ATOM 552 OG1 THR A 37 3.457 -10.317 -9.344 1.00 0.00 O ATOM 553 CG2 THR A 37 2.640 -10.222 -7.128 1.00 0.00 C ATOM 0 H THR A 37 2.090 -7.043 -9.994 1.00 0.00 H new ATOM 0 HA THR A 37 0.892 -9.597 -9.268 1.00 0.00 H new ATOM 0 HB THR A 37 3.516 -8.595 -8.178 1.00 0.00 H new ATOM 0 HG1 THR A 37 4.270 -10.707 -8.960 1.00 0.00 H new ATOM 0 HG21 THR A 37 3.588 -10.635 -6.783 1.00 0.00 H new ATOM 0 HG22 THR A 37 2.232 -9.561 -6.363 1.00 0.00 H new ATOM 0 HG23 THR A 37 1.938 -11.034 -7.318 1.00 0.00 H new ATOM 561 N LEU A 38 0.214 -8.594 -6.988 1.00 0.00 N ATOM 562 CA LEU A 38 -0.461 -7.885 -5.902 1.00 0.00 C ATOM 563 C LEU A 38 0.341 -8.033 -4.623 1.00 0.00 C ATOM 564 O LEU A 38 0.975 -9.064 -4.395 1.00 0.00 O ATOM 565 CB LEU A 38 -1.877 -8.428 -5.664 1.00 0.00 C ATOM 566 CG LEU A 38 -3.024 -7.612 -6.268 1.00 0.00 C ATOM 567 CD1 LEU A 38 -4.323 -8.386 -6.134 1.00 0.00 C ATOM 568 CD2 LEU A 38 -3.133 -6.259 -5.580 1.00 0.00 C ATOM 0 H LEU A 38 0.101 -9.607 -6.964 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.537 -6.836 -6.188 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.928 -9.440 -6.066 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -2.039 -8.503 -4.589 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.822 -7.438 -7.325 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -5.139 -7.805 -6.564 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -4.237 -9.336 -6.662 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -4.528 -8.574 -5.080 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.953 -5.692 -6.021 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -3.324 -6.406 -4.517 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -2.201 -5.709 -5.709 1.00 0.00 H new ATOM 580 N VAL A 39 0.311 -7.010 -3.787 1.00 0.00 N ATOM 581 CA VAL A 39 1.033 -7.049 -2.533 1.00 0.00 C ATOM 582 C VAL A 39 0.071 -6.915 -1.360 1.00 0.00 C ATOM 583 O VAL A 39 0.177 -7.639 -0.366 1.00 0.00 O ATOM 584 CB VAL A 39 2.099 -5.934 -2.478 1.00 0.00 C ATOM 585 CG1 VAL A 39 2.678 -5.805 -1.080 1.00 0.00 C ATOM 586 CG2 VAL A 39 3.205 -6.206 -3.494 1.00 0.00 C ATOM 0 H VAL A 39 -0.204 -6.146 -3.955 1.00 0.00 H new ATOM 0 HA VAL A 39 1.539 -8.012 -2.463 1.00 0.00 H new ATOM 0 HB VAL A 39 1.618 -4.989 -2.732 1.00 0.00 H new ATOM 0 HG11 VAL A 39 3.427 -5.013 -1.068 1.00 0.00 H new ATOM 0 HG12 VAL A 39 1.881 -5.562 -0.377 1.00 0.00 H new ATOM 0 HG13 VAL A 39 3.142 -6.748 -0.790 1.00 0.00 H new ATOM 0 HG21 VAL A 39 3.949 -5.411 -3.443 1.00 0.00 H new ATOM 0 HG22 VAL A 39 3.679 -7.162 -3.269 1.00 0.00 H new ATOM 0 HG23 VAL A 39 2.778 -6.240 -4.496 1.00 0.00 H new ATOM 596 N ALA A 40 -0.877 -5.992 -1.488 1.00 0.00 N ATOM 597 CA ALA A 40 -1.863 -5.767 -0.435 1.00 0.00 C ATOM 598 C ALA A 40 -2.925 -4.755 -0.852 1.00 0.00 C ATOM 599 O ALA A 40 -2.632 -3.576 -1.039 1.00 0.00 O ATOM 600 CB ALA A 40 -1.172 -5.291 0.831 1.00 0.00 C ATOM 0 H ALA A 40 -0.984 -5.391 -2.305 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.364 -6.717 -0.249 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -1.915 -5.126 1.611 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -0.460 -6.046 1.163 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -0.645 -4.359 0.629 1.00 0.00 H new ATOM 606 N GLU A 41 -4.165 -5.214 -0.976 1.00 0.00 N ATOM 607 CA GLU A 41 -5.262 -4.333 -1.348 1.00 0.00 C ATOM 608 C GLU A 41 -6.426 -4.465 -0.366 1.00 0.00 C ATOM 609 O GLU A 41 -6.577 -5.486 0.305 1.00 0.00 O ATOM 610 CB GLU A 41 -5.727 -4.629 -2.777 1.00 0.00 C ATOM 611 CG GLU A 41 -6.671 -5.815 -2.884 1.00 0.00 C ATOM 612 CD GLU A 41 -6.155 -6.890 -3.819 1.00 0.00 C ATOM 613 OE1 GLU A 41 -4.946 -7.198 -3.756 1.00 0.00 O ATOM 614 OE2 GLU A 41 -6.958 -7.422 -4.614 1.00 0.00 O ATOM 0 H GLU A 41 -4.434 -6.186 -0.825 1.00 0.00 H new ATOM 0 HA GLU A 41 -4.901 -3.305 -1.307 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -6.223 -3.745 -3.178 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -4.853 -4.815 -3.402 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -6.824 -6.243 -1.893 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -7.643 -5.470 -3.235 1.00 0.00 H new ATOM 621 N PHE A 42 -7.237 -3.420 -0.289 1.00 0.00 N ATOM 622 CA PHE A 42 -8.383 -3.389 0.600 1.00 0.00 C ATOM 623 C PHE A 42 -9.663 -3.095 -0.174 1.00 0.00 C ATOM 624 O PHE A 42 -9.658 -2.318 -1.130 1.00 0.00 O ATOM 625 CB PHE A 42 -8.167 -2.320 1.666 1.00 0.00 C ATOM 626 CG PHE A 42 -9.327 -2.163 2.607 1.00 0.00 C ATOM 627 CD1 PHE A 42 -10.367 -1.302 2.296 1.00 0.00 C ATOM 628 CD2 PHE A 42 -9.379 -2.872 3.796 1.00 0.00 C ATOM 629 CE1 PHE A 42 -11.439 -1.151 3.151 1.00 0.00 C ATOM 630 CE2 PHE A 42 -10.451 -2.725 4.658 1.00 0.00 C ATOM 631 CZ PHE A 42 -11.482 -1.863 4.335 1.00 0.00 C ATOM 0 H PHE A 42 -7.117 -2.571 -0.842 1.00 0.00 H new ATOM 0 HA PHE A 42 -8.486 -4.366 1.072 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -7.275 -2.568 2.241 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -7.976 -1.365 1.177 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -10.338 -0.742 1.373 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -8.575 -3.546 4.052 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -12.244 -0.477 2.896 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -10.482 -3.283 5.582 1.00 0.00 H new ATOM 0 HZ PHE A 42 -12.320 -1.746 5.007 1.00 0.00 H new ATOM 748 N PRO A 48 -9.682 -8.225 1.926 1.00 0.00 N ATOM 749 CA PRO A 48 -8.351 -7.801 1.480 1.00 0.00 C ATOM 750 C PRO A 48 -7.490 -8.970 1.012 1.00 0.00 C ATOM 751 O PRO A 48 -7.703 -10.114 1.415 1.00 0.00 O ATOM 752 CB PRO A 48 -7.749 -7.159 2.730 1.00 0.00 C ATOM 753 CG PRO A 48 -8.430 -7.835 3.868 1.00 0.00 C ATOM 754 CD PRO A 48 -9.822 -8.159 3.394 1.00 0.00 C ATOM 0 HA PRO A 48 -8.404 -7.132 0.621 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -6.670 -7.307 2.770 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -7.924 -6.083 2.746 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -7.897 -8.741 4.158 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -8.458 -7.188 4.744 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -10.176 -9.104 3.806 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -10.536 -7.393 3.695 1.00 0.00 H new ATOM 762 N PHE A 49 -6.516 -8.671 0.157 1.00 0.00 N ATOM 763 CA PHE A 49 -5.617 -9.693 -0.372 1.00 0.00 C ATOM 764 C PHE A 49 -4.179 -9.453 0.076 1.00 0.00 C ATOM 765 O PHE A 49 -3.477 -8.613 -0.487 1.00 0.00 O ATOM 766 CB PHE A 49 -5.677 -9.721 -1.906 1.00 0.00 C ATOM 767 CG PHE A 49 -4.560 -10.507 -2.544 1.00 0.00 C ATOM 768 CD1 PHE A 49 -4.695 -11.867 -2.771 1.00 0.00 C ATOM 769 CD2 PHE A 49 -3.373 -9.886 -2.911 1.00 0.00 C ATOM 770 CE1 PHE A 49 -3.670 -12.593 -3.350 1.00 0.00 C ATOM 771 CE2 PHE A 49 -2.347 -10.606 -3.490 1.00 0.00 C ATOM 772 CZ PHE A 49 -2.494 -11.962 -3.710 1.00 0.00 C ATOM 0 H PHE A 49 -6.329 -7.728 -0.185 1.00 0.00 H new ATOM 0 HA PHE A 49 -5.947 -10.654 0.021 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -6.631 -10.147 -2.215 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -5.649 -8.698 -2.280 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -5.611 -12.366 -2.493 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -3.251 -8.826 -2.741 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -3.788 -13.653 -3.521 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -1.430 -10.109 -3.771 1.00 0.00 H new ATOM 0 HZ PHE A 49 -1.692 -12.527 -4.162 1.00 0.00 H new ATOM 782 N LEU A 50 -3.736 -10.211 1.072 1.00 0.00 N ATOM 783 CA LEU A 50 -2.375 -10.094 1.566 1.00 0.00 C ATOM 784 C LEU A 50 -1.477 -11.072 0.811 1.00 0.00 C ATOM 785 O LEU A 50 -1.679 -12.284 0.879 1.00 0.00 O ATOM 786 CB LEU A 50 -2.337 -10.373 3.070 1.00 0.00 C ATOM 787 CG LEU A 50 -2.492 -9.136 3.962 1.00 0.00 C ATOM 788 CD1 LEU A 50 -2.424 -9.514 5.433 1.00 0.00 C ATOM 789 CD2 LEU A 50 -1.427 -8.104 3.630 1.00 0.00 C ATOM 0 H LEU A 50 -4.301 -10.912 1.551 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.011 -9.080 1.399 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.130 -11.080 3.313 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -1.392 -10.860 3.310 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.472 -8.700 3.768 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.537 -8.619 6.044 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.225 -10.215 5.666 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -1.461 -9.979 5.645 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -1.552 -7.232 4.273 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.439 -8.536 3.792 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.525 -7.803 2.587 1.00 0.00 H new ATOM 801 N LYS A 51 -0.508 -10.539 0.062 1.00 0.00 N ATOM 802 CA LYS A 51 0.397 -11.369 -0.740 1.00 0.00 C ATOM 803 C LYS A 51 0.805 -12.664 -0.024 1.00 0.00 C ATOM 804 O LYS A 51 0.142 -13.690 -0.173 1.00 0.00 O ATOM 805 CB LYS A 51 1.633 -10.561 -1.144 1.00 0.00 C ATOM 806 CG LYS A 51 2.679 -11.370 -1.896 1.00 0.00 C ATOM 807 CD LYS A 51 2.198 -11.744 -3.289 1.00 0.00 C ATOM 808 CE LYS A 51 2.821 -13.048 -3.763 1.00 0.00 C ATOM 809 NZ LYS A 51 4.308 -12.975 -3.792 1.00 0.00 N ATOM 0 H LYS A 51 -0.329 -9.537 -0.006 1.00 0.00 H new ATOM 0 HA LYS A 51 -0.148 -11.668 -1.635 1.00 0.00 H new ATOM 0 HB2 LYS A 51 1.320 -9.723 -1.766 1.00 0.00 H new ATOM 0 HB3 LYS A 51 2.089 -10.140 -0.248 1.00 0.00 H new ATOM 0 HG2 LYS A 51 3.601 -10.794 -1.971 1.00 0.00 H new ATOM 0 HG3 LYS A 51 2.913 -12.275 -1.335 1.00 0.00 H new ATOM 0 HD2 LYS A 51 1.112 -11.838 -3.287 1.00 0.00 H new ATOM 0 HD3 LYS A 51 2.447 -10.945 -3.988 1.00 0.00 H new ATOM 0 HE2 LYS A 51 2.510 -13.859 -3.105 1.00 0.00 H new ATOM 0 HE3 LYS A 51 2.450 -13.286 -4.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 4.689 -13.837 -4.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 4.604 -12.145 -4.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 4.670 -12.892 -2.821 1.00 0.00 H new ATOM 823 N SER A 52 1.903 -12.627 0.732 1.00 0.00 N ATOM 824 CA SER A 52 2.378 -13.820 1.432 1.00 0.00 C ATOM 825 C SER A 52 2.365 -13.638 2.947 1.00 0.00 C ATOM 826 O SER A 52 3.084 -14.332 3.667 1.00 0.00 O ATOM 827 CB SER A 52 3.793 -14.171 0.967 1.00 0.00 C ATOM 828 OG SER A 52 3.762 -15.047 -0.147 1.00 0.00 O ATOM 0 H SER A 52 2.474 -11.794 0.874 1.00 0.00 H new ATOM 0 HA SER A 52 1.695 -14.634 1.189 1.00 0.00 H new ATOM 0 HB2 SER A 52 4.328 -13.259 0.702 1.00 0.00 H new ATOM 0 HB3 SER A 52 4.343 -14.637 1.785 1.00 0.00 H new ATOM 0 HG SER A 52 4.678 -15.254 -0.426 1.00 0.00 H new ATOM 834 N GLY A 53 1.545 -12.712 3.430 1.00 0.00 N ATOM 835 CA GLY A 53 1.462 -12.475 4.860 1.00 0.00 C ATOM 836 C GLY A 53 2.675 -11.740 5.415 1.00 0.00 C ATOM 837 O GLY A 53 2.734 -11.464 6.613 1.00 0.00 O ATOM 0 H GLY A 53 0.938 -12.123 2.860 1.00 0.00 H new ATOM 0 HA2 GLY A 53 0.564 -11.896 5.075 1.00 0.00 H new ATOM 0 HA3 GLY A 53 1.356 -13.430 5.375 1.00 0.00 H new ATOM 841 N ALA A 54 3.646 -11.408 4.553 1.00 0.00 N ATOM 842 CA ALA A 54 4.838 -10.694 4.996 1.00 0.00 C ATOM 843 C ALA A 54 4.589 -9.188 5.042 1.00 0.00 C ATOM 844 O ALA A 54 5.506 -8.403 5.296 1.00 0.00 O ATOM 845 CB ALA A 54 6.012 -11.007 4.079 1.00 0.00 C ATOM 0 H ALA A 54 3.625 -11.622 3.556 1.00 0.00 H new ATOM 0 HA ALA A 54 5.079 -11.029 6.005 1.00 0.00 H new ATOM 0 HB1 ALA A 54 6.895 -10.467 4.421 1.00 0.00 H new ATOM 0 HB2 ALA A 54 6.212 -12.078 4.097 1.00 0.00 H new ATOM 0 HB3 ALA A 54 5.771 -10.700 3.061 1.00 0.00 H new ATOM 851 N PHE A 55 3.345 -8.791 4.792 1.00 0.00 N ATOM 852 CA PHE A 55 2.968 -7.387 4.796 1.00 0.00 C ATOM 853 C PHE A 55 1.790 -7.141 5.726 1.00 0.00 C ATOM 854 O PHE A 55 1.024 -8.054 6.033 1.00 0.00 O ATOM 855 CB PHE A 55 2.599 -6.942 3.386 1.00 0.00 C ATOM 856 CG PHE A 55 3.648 -7.255 2.362 1.00 0.00 C ATOM 857 CD1 PHE A 55 4.676 -6.364 2.123 1.00 0.00 C ATOM 858 CD2 PHE A 55 3.601 -8.433 1.637 1.00 0.00 C ATOM 859 CE1 PHE A 55 5.645 -6.639 1.181 1.00 0.00 C ATOM 860 CE2 PHE A 55 4.568 -8.718 0.690 1.00 0.00 C ATOM 861 CZ PHE A 55 5.592 -7.818 0.462 1.00 0.00 C ATOM 0 H PHE A 55 2.578 -9.430 4.583 1.00 0.00 H new ATOM 0 HA PHE A 55 3.821 -6.810 5.153 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.665 -7.423 3.095 1.00 0.00 H new ATOM 0 HB3 PHE A 55 2.416 -5.867 3.390 1.00 0.00 H new ATOM 0 HD1 PHE A 55 4.722 -5.440 2.681 1.00 0.00 H new ATOM 0 HD2 PHE A 55 2.801 -9.137 1.813 1.00 0.00 H new ATOM 0 HE1 PHE A 55 6.444 -5.934 1.005 1.00 0.00 H new ATOM 0 HE2 PHE A 55 4.523 -9.641 0.131 1.00 0.00 H new ATOM 0 HZ PHE A 55 6.349 -8.036 -0.277 1.00 0.00 H new ATOM 871 N GLU A 56 1.644 -5.897 6.157 1.00 0.00 N ATOM 872 CA GLU A 56 0.551 -5.516 7.035 1.00 0.00 C ATOM 873 C GLU A 56 -0.018 -4.169 6.610 1.00 0.00 C ATOM 874 O GLU A 56 0.693 -3.162 6.593 1.00 0.00 O ATOM 875 CB GLU A 56 1.026 -5.455 8.487 1.00 0.00 C ATOM 876 CG GLU A 56 -0.075 -5.721 9.500 1.00 0.00 C ATOM 877 CD GLU A 56 0.092 -4.909 10.769 1.00 0.00 C ATOM 878 OE1 GLU A 56 0.662 -3.801 10.694 1.00 0.00 O ATOM 879 OE2 GLU A 56 -0.348 -5.381 11.839 1.00 0.00 O ATOM 0 H GLU A 56 2.272 -5.132 5.911 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.233 -6.269 6.960 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.824 -6.184 8.630 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.455 -4.471 8.679 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -1.041 -5.491 9.050 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -0.085 -6.782 9.750 1.00 0.00 H new ATOM 886 N ILE A 57 -1.299 -4.158 6.258 1.00 0.00 N ATOM 887 CA ILE A 57 -1.953 -2.930 5.826 1.00 0.00 C ATOM 888 C ILE A 57 -2.309 -2.048 7.021 1.00 0.00 C ATOM 889 O ILE A 57 -3.309 -2.272 7.703 1.00 0.00 O ATOM 890 CB ILE A 57 -3.220 -3.216 4.993 1.00 0.00 C ATOM 891 CG1 ILE A 57 -3.764 -1.914 4.401 1.00 0.00 C ATOM 892 CG2 ILE A 57 -4.285 -3.912 5.833 1.00 0.00 C ATOM 893 CD1 ILE A 57 -4.499 -2.104 3.092 1.00 0.00 C ATOM 0 H ILE A 57 -1.902 -4.981 6.263 1.00 0.00 H new ATOM 0 HA ILE A 57 -1.242 -2.400 5.192 1.00 0.00 H new ATOM 0 HB ILE A 57 -2.950 -3.887 4.178 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -4.437 -1.450 5.122 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -2.937 -1.221 4.246 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -5.166 -4.101 5.220 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -3.893 -4.858 6.206 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -4.558 -3.275 6.674 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -4.856 -1.139 2.732 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -3.824 -2.539 2.355 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -5.347 -2.771 3.245 1.00 0.00 H new ATOM 905 N LEU A 58 -1.474 -1.046 7.271 1.00 0.00 N ATOM 906 CA LEU A 58 -1.685 -0.127 8.382 1.00 0.00 C ATOM 907 C LEU A 58 -3.066 0.522 8.310 1.00 0.00 C ATOM 908 O LEU A 58 -3.641 0.662 7.230 1.00 0.00 O ATOM 909 CB LEU A 58 -0.594 0.949 8.383 1.00 0.00 C ATOM 910 CG LEU A 58 0.365 0.911 9.577 1.00 0.00 C ATOM 911 CD1 LEU A 58 0.798 -0.516 9.880 1.00 0.00 C ATOM 912 CD2 LEU A 58 1.576 1.789 9.308 1.00 0.00 C ATOM 0 H LEU A 58 -0.641 -0.849 6.716 1.00 0.00 H new ATOM 0 HA LEU A 58 -1.631 -0.696 9.310 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.011 0.852 7.467 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -1.073 1.928 8.354 1.00 0.00 H new ATOM 0 HG LEU A 58 -0.160 1.298 10.450 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.478 -0.517 10.732 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -0.078 -1.120 10.115 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.305 -0.935 9.010 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.249 1.753 10.165 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.097 1.428 8.421 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.251 2.817 9.145 1.00 0.00 H new ATOM 924 N ALA A 59 -3.590 0.912 9.467 1.00 0.00 N ATOM 925 CA ALA A 59 -4.903 1.542 9.542 1.00 0.00 C ATOM 926 C ALA A 59 -4.948 2.838 8.736 1.00 0.00 C ATOM 927 O ALA A 59 -6.022 3.317 8.376 1.00 0.00 O ATOM 928 CB ALA A 59 -5.276 1.810 10.992 1.00 0.00 C ATOM 0 H ALA A 59 -3.124 0.802 10.368 1.00 0.00 H new ATOM 0 HA ALA A 59 -5.629 0.854 9.108 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -6.258 2.280 11.034 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -5.301 0.869 11.541 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -4.537 2.473 11.441 1.00 0.00 H new ATOM 934 N ASN A 60 -3.776 3.402 8.454 1.00 0.00 N ATOM 935 CA ASN A 60 -3.692 4.642 7.689 1.00 0.00 C ATOM 936 C ASN A 60 -3.436 4.358 6.211 1.00 0.00 C ATOM 937 O ASN A 60 -2.788 5.144 5.520 1.00 0.00 O ATOM 938 CB ASN A 60 -2.593 5.554 8.248 1.00 0.00 C ATOM 939 CG ASN A 60 -1.337 4.799 8.646 1.00 0.00 C ATOM 940 OD1 ASN A 60 -0.371 4.733 7.888 1.00 0.00 O ATOM 941 ND2 ASN A 60 -1.346 4.229 9.846 1.00 0.00 N ATOM 0 H ASN A 60 -2.875 3.021 8.743 1.00 0.00 H new ATOM 0 HA ASN A 60 -4.650 5.153 7.781 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -2.337 6.305 7.500 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -2.979 6.088 9.116 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -0.529 3.711 10.171 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -2.170 4.309 10.442 1.00 0.00 H new ATOM 948 N GLY A 61 -3.957 3.232 5.729 1.00 0.00 N ATOM 949 CA GLY A 61 -3.784 2.865 4.334 1.00 0.00 C ATOM 950 C GLY A 61 -2.327 2.841 3.907 1.00 0.00 C ATOM 951 O GLY A 61 -2.003 3.207 2.777 1.00 0.00 O ATOM 0 H GLY A 61 -4.497 2.566 6.282 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -4.223 1.882 4.165 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -4.330 3.570 3.707 1.00 0.00 H new ATOM 955 N ASP A 62 -1.450 2.409 4.807 1.00 0.00 N ATOM 956 CA ASP A 62 -0.023 2.341 4.506 1.00 0.00 C ATOM 957 C ASP A 62 0.459 0.894 4.463 1.00 0.00 C ATOM 958 O ASP A 62 -0.167 0.001 5.034 1.00 0.00 O ATOM 959 CB ASP A 62 0.779 3.137 5.540 1.00 0.00 C ATOM 960 CG ASP A 62 1.041 4.560 5.086 1.00 0.00 C ATOM 961 OD1 ASP A 62 1.393 4.748 3.904 1.00 0.00 O ATOM 962 OD2 ASP A 62 0.890 5.485 5.911 1.00 0.00 O ATOM 0 H ASP A 62 -1.700 2.102 5.747 1.00 0.00 H new ATOM 0 HA ASP A 62 0.136 2.782 3.522 1.00 0.00 H new ATOM 0 HB2 ASP A 62 0.236 3.153 6.485 1.00 0.00 H new ATOM 0 HB3 ASP A 62 1.729 2.635 5.726 1.00 0.00 H new ATOM 967 N LEU A 63 1.575 0.670 3.774 1.00 0.00 N ATOM 968 CA LEU A 63 2.145 -0.677 3.647 1.00 0.00 C ATOM 969 C LEU A 63 3.221 -0.920 4.700 1.00 0.00 C ATOM 970 O LEU A 63 4.206 -0.184 4.770 1.00 0.00 O ATOM 971 CB LEU A 63 2.751 -0.852 2.254 1.00 0.00 C ATOM 972 CG LEU A 63 3.037 -2.295 1.842 1.00 0.00 C ATOM 973 CD1 LEU A 63 1.758 -2.993 1.411 1.00 0.00 C ATOM 974 CD2 LEU A 63 4.065 -2.326 0.722 1.00 0.00 C ATOM 0 H LEU A 63 2.104 1.398 3.295 1.00 0.00 H new ATOM 0 HA LEU A 63 1.343 -1.400 3.797 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.073 -0.411 1.523 1.00 0.00 H new ATOM 0 HB3 LEU A 63 3.682 -0.287 2.207 1.00 0.00 H new ATOM 0 HG LEU A 63 3.442 -2.828 2.702 1.00 0.00 H new ATOM 0 HD11 LEU A 63 1.983 -4.019 1.122 1.00 0.00 H new ATOM 0 HD12 LEU A 63 1.049 -2.997 2.239 1.00 0.00 H new ATOM 0 HD13 LEU A 63 1.323 -2.464 0.563 1.00 0.00 H new ATOM 0 HD21 LEU A 63 4.261 -3.360 0.437 1.00 0.00 H new ATOM 0 HD22 LEU A 63 3.682 -1.778 -0.139 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.990 -1.862 1.064 1.00 0.00 H new ATOM 986 N LYS A 64 3.039 -1.958 5.513 1.00 0.00 N ATOM 987 CA LYS A 64 4.011 -2.288 6.549 1.00 0.00 C ATOM 988 C LYS A 64 4.743 -3.584 6.209 1.00 0.00 C ATOM 989 O LYS A 64 4.187 -4.673 6.342 1.00 0.00 O ATOM 990 CB LYS A 64 3.317 -2.421 7.907 1.00 0.00 C ATOM 991 CG LYS A 64 4.145 -1.893 9.067 1.00 0.00 C ATOM 992 CD LYS A 64 3.791 -2.594 10.368 1.00 0.00 C ATOM 993 CE LYS A 64 4.775 -3.706 10.688 1.00 0.00 C ATOM 994 NZ LYS A 64 6.085 -3.173 11.152 1.00 0.00 N ATOM 0 H LYS A 64 2.232 -2.581 5.474 1.00 0.00 H new ATOM 0 HA LYS A 64 4.741 -1.480 6.601 1.00 0.00 H new ATOM 0 HB2 LYS A 64 2.368 -1.885 7.875 1.00 0.00 H new ATOM 0 HB3 LYS A 64 3.084 -3.471 8.086 1.00 0.00 H new ATOM 0 HG2 LYS A 64 5.204 -2.034 8.853 1.00 0.00 H new ATOM 0 HG3 LYS A 64 3.981 -0.821 9.174 1.00 0.00 H new ATOM 0 HD2 LYS A 64 3.782 -1.869 11.182 1.00 0.00 H new ATOM 0 HD3 LYS A 64 2.785 -3.007 10.298 1.00 0.00 H new ATOM 0 HE2 LYS A 64 4.354 -4.353 11.457 1.00 0.00 H new ATOM 0 HE3 LYS A 64 4.927 -4.322 9.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 6.647 -3.944 11.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 6.599 -2.764 10.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 5.926 -2.437 11.870 1.00 0.00 H new ATOM 1008 N ILE A 65 5.993 -3.458 5.769 1.00 0.00 N ATOM 1009 CA ILE A 65 6.795 -4.625 5.410 1.00 0.00 C ATOM 1010 C ILE A 65 7.397 -5.273 6.656 1.00 0.00 C ATOM 1011 O ILE A 65 7.921 -4.582 7.531 1.00 0.00 O ATOM 1012 CB ILE A 65 7.930 -4.253 4.435 1.00 0.00 C ATOM 1013 CG1 ILE A 65 7.450 -3.189 3.434 1.00 0.00 C ATOM 1014 CG2 ILE A 65 8.436 -5.500 3.718 1.00 0.00 C ATOM 1015 CD1 ILE A 65 8.411 -2.941 2.288 1.00 0.00 C ATOM 0 H ILE A 65 6.471 -2.564 5.653 1.00 0.00 H new ATOM 0 HA ILE A 65 6.128 -5.332 4.918 1.00 0.00 H new ATOM 0 HB ILE A 65 8.759 -3.828 5.001 1.00 0.00 H new ATOM 0 HG12 ILE A 65 6.487 -3.497 3.027 1.00 0.00 H new ATOM 0 HG13 ILE A 65 7.286 -2.252 3.966 1.00 0.00 H new ATOM 0 HG21 ILE A 65 9.237 -5.225 3.032 1.00 0.00 H new ATOM 0 HG22 ILE A 65 8.814 -6.213 4.451 1.00 0.00 H new ATOM 0 HG23 ILE A 65 7.619 -5.954 3.158 1.00 0.00 H new ATOM 0 HD11 ILE A 65 8.000 -2.178 1.627 1.00 0.00 H new ATOM 0 HD12 ILE A 65 9.368 -2.601 2.683 1.00 0.00 H new ATOM 0 HD13 ILE A 65 8.557 -3.865 1.729 1.00 0.00 H new ATOM 1027 N LYS A 66 7.313 -6.599 6.739 1.00 0.00 N ATOM 1028 CA LYS A 66 7.845 -7.328 7.889 1.00 0.00 C ATOM 1029 C LYS A 66 9.359 -7.476 7.805 1.00 0.00 C ATOM 1030 O LYS A 66 10.079 -7.194 8.762 1.00 0.00 O ATOM 1031 CB LYS A 66 7.188 -8.708 7.995 1.00 0.00 C ATOM 1032 CG LYS A 66 7.713 -9.547 9.149 1.00 0.00 C ATOM 1033 CD LYS A 66 6.764 -10.684 9.487 1.00 0.00 C ATOM 1034 CE LYS A 66 7.111 -11.321 10.823 1.00 0.00 C ATOM 1035 NZ LYS A 66 8.276 -12.244 10.713 1.00 0.00 N ATOM 0 H LYS A 66 6.883 -7.189 6.027 1.00 0.00 H new ATOM 0 HA LYS A 66 7.612 -6.750 8.783 1.00 0.00 H new ATOM 0 HB2 LYS A 66 6.112 -8.580 8.110 1.00 0.00 H new ATOM 0 HB3 LYS A 66 7.347 -9.249 7.062 1.00 0.00 H new ATOM 0 HG2 LYS A 66 8.691 -9.953 8.890 1.00 0.00 H new ATOM 0 HG3 LYS A 66 7.852 -8.915 10.026 1.00 0.00 H new ATOM 0 HD2 LYS A 66 5.741 -10.309 9.516 1.00 0.00 H new ATOM 0 HD3 LYS A 66 6.804 -11.439 8.702 1.00 0.00 H new ATOM 0 HE2 LYS A 66 7.334 -10.540 11.550 1.00 0.00 H new ATOM 0 HE3 LYS A 66 6.247 -11.870 11.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 8.480 -12.658 11.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 8.055 -13.004 10.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 9.107 -11.716 10.379 1.00 0.00 H new ATOM 1049 N ASN A 67 9.826 -7.918 6.653 1.00 0.00 N ATOM 1050 CA ASN A 67 11.250 -8.113 6.416 1.00 0.00 C ATOM 1051 C ASN A 67 11.581 -7.837 4.955 1.00 0.00 C ATOM 1052 O ASN A 67 11.148 -8.563 4.061 1.00 0.00 O ATOM 1053 CB ASN A 67 11.663 -9.539 6.792 1.00 0.00 C ATOM 1054 CG ASN A 67 12.622 -9.572 7.966 1.00 0.00 C ATOM 1055 OD1 ASN A 67 12.593 -8.697 8.831 1.00 0.00 O ATOM 1056 ND2 ASN A 67 13.481 -10.585 8.000 1.00 0.00 N ATOM 0 H ASN A 67 9.235 -8.152 5.856 1.00 0.00 H new ATOM 0 HA ASN A 67 11.806 -7.414 7.041 1.00 0.00 H new ATOM 0 HB2 ASN A 67 10.773 -10.120 7.036 1.00 0.00 H new ATOM 0 HB3 ASN A 67 12.130 -10.018 5.931 1.00 0.00 H new ATOM 0 HD21 ASN A 67 14.152 -10.659 8.765 1.00 0.00 H new ATOM 0 HD22 ASN A 67 13.470 -11.288 7.261 1.00 0.00 H new ATOM 1063 N LEU A 68 12.340 -6.774 4.719 1.00 0.00 N ATOM 1064 CA LEU A 68 12.716 -6.389 3.369 1.00 0.00 C ATOM 1065 C LEU A 68 13.345 -7.545 2.604 1.00 0.00 C ATOM 1066 O LEU A 68 14.007 -8.408 3.181 1.00 0.00 O ATOM 1067 CB LEU A 68 13.672 -5.203 3.418 1.00 0.00 C ATOM 1068 CG LEU A 68 12.989 -3.860 3.650 1.00 0.00 C ATOM 1069 CD1 LEU A 68 13.888 -2.932 4.449 1.00 0.00 C ATOM 1070 CD2 LEU A 68 12.596 -3.231 2.324 1.00 0.00 C ATOM 0 H LEU A 68 12.707 -6.163 5.449 1.00 0.00 H new ATOM 0 HA LEU A 68 11.809 -6.103 2.837 1.00 0.00 H new ATOM 0 HB2 LEU A 68 14.400 -5.370 4.212 1.00 0.00 H new ATOM 0 HB3 LEU A 68 14.227 -5.159 2.481 1.00 0.00 H new ATOM 0 HG LEU A 68 12.081 -4.027 4.230 1.00 0.00 H new ATOM 0 HD11 LEU A 68 13.382 -1.979 4.604 1.00 0.00 H new ATOM 0 HD12 LEU A 68 14.112 -3.385 5.415 1.00 0.00 H new ATOM 0 HD13 LEU A 68 14.816 -2.765 3.903 1.00 0.00 H new ATOM 0 HD21 LEU A 68 12.109 -2.273 2.506 1.00 0.00 H new ATOM 0 HD22 LEU A 68 13.488 -3.076 1.716 1.00 0.00 H new ATOM 0 HD23 LEU A 68 11.909 -3.893 1.797 1.00 0.00 H new ATOM 1082 N THR A 69 13.127 -7.546 1.296 1.00 0.00 N ATOM 1083 CA THR A 69 13.662 -8.584 0.424 1.00 0.00 C ATOM 1084 C THR A 69 13.879 -8.046 -0.989 1.00 0.00 C ATOM 1085 O THR A 69 13.344 -6.999 -1.354 1.00 0.00 O ATOM 1086 CB THR A 69 12.720 -9.789 0.392 1.00 0.00 C ATOM 1087 OG1 THR A 69 11.371 -9.372 0.294 1.00 0.00 O ATOM 1088 CG2 THR A 69 12.841 -10.672 1.614 1.00 0.00 C ATOM 0 H THR A 69 12.579 -6.834 0.812 1.00 0.00 H new ATOM 0 HA THR A 69 14.626 -8.901 0.822 1.00 0.00 H new ATOM 0 HB THR A 69 13.017 -10.364 -0.485 1.00 0.00 H new ATOM 0 HG1 THR A 69 11.165 -8.755 1.027 1.00 0.00 H new ATOM 0 HG21 THR A 69 12.147 -11.508 1.529 1.00 0.00 H new ATOM 0 HG22 THR A 69 13.860 -11.053 1.688 1.00 0.00 H new ATOM 0 HG23 THR A 69 12.604 -10.093 2.506 1.00 0.00 H new ATOM 1096 N ARG A 70 14.672 -8.767 -1.777 1.00 0.00 N ATOM 1097 CA ARG A 70 14.969 -8.357 -3.153 1.00 0.00 C ATOM 1098 C ARG A 70 13.691 -8.044 -3.926 1.00 0.00 C ATOM 1099 O ARG A 70 13.541 -6.955 -4.481 1.00 0.00 O ATOM 1100 CB ARG A 70 15.761 -9.448 -3.885 1.00 0.00 C ATOM 1101 CG ARG A 70 16.779 -10.176 -3.014 1.00 0.00 C ATOM 1102 CD ARG A 70 16.303 -11.575 -2.653 1.00 0.00 C ATOM 1103 NE ARG A 70 16.663 -11.938 -1.284 1.00 0.00 N ATOM 1104 CZ ARG A 70 17.913 -12.130 -0.872 1.00 0.00 C ATOM 1105 NH1 ARG A 70 18.927 -11.996 -1.718 1.00 0.00 N ATOM 1106 NH2 ARG A 70 18.152 -12.458 0.391 1.00 0.00 N ATOM 0 H ARG A 70 15.121 -9.637 -1.490 1.00 0.00 H new ATOM 0 HA ARG A 70 15.573 -7.451 -3.101 1.00 0.00 H new ATOM 0 HB2 ARG A 70 15.061 -10.178 -4.292 1.00 0.00 H new ATOM 0 HB3 ARG A 70 16.280 -8.998 -4.731 1.00 0.00 H new ATOM 0 HG2 ARG A 70 17.731 -10.239 -3.541 1.00 0.00 H new ATOM 0 HG3 ARG A 70 16.956 -9.604 -2.103 1.00 0.00 H new ATOM 0 HD2 ARG A 70 15.221 -11.632 -2.771 1.00 0.00 H new ATOM 0 HD3 ARG A 70 16.737 -12.296 -3.346 1.00 0.00 H new ATOM 0 HE ARG A 70 15.911 -12.051 -0.604 1.00 0.00 H new ATOM 0 HH11 ARG A 70 18.750 -11.744 -2.690 1.00 0.00 H new ATOM 0 HH12 ARG A 70 19.883 -12.145 -1.396 1.00 0.00 H new ATOM 0 HH21 ARG A 70 17.377 -12.563 1.046 1.00 0.00 H new ATOM 0 HH22 ARG A 70 19.111 -12.605 0.707 1.00 0.00 H new ATOM 1120 N ASP A 71 12.776 -9.006 -3.963 1.00 0.00 N ATOM 1121 CA ASP A 71 11.512 -8.838 -4.672 1.00 0.00 C ATOM 1122 C ASP A 71 10.787 -7.563 -4.237 1.00 0.00 C ATOM 1123 O ASP A 71 9.955 -7.034 -4.974 1.00 0.00 O ATOM 1124 CB ASP A 71 10.609 -10.053 -4.442 1.00 0.00 C ATOM 1125 CG ASP A 71 9.291 -9.947 -5.187 1.00 0.00 C ATOM 1126 OD1 ASP A 71 9.282 -9.375 -6.298 1.00 0.00 O ATOM 1127 OD2 ASP A 71 8.270 -10.436 -4.659 1.00 0.00 O ATOM 0 H ASP A 71 12.886 -9.913 -3.509 1.00 0.00 H new ATOM 0 HA ASP A 71 11.740 -8.751 -5.734 1.00 0.00 H new ATOM 0 HB2 ASP A 71 11.131 -10.955 -4.761 1.00 0.00 H new ATOM 0 HB3 ASP A 71 10.412 -10.159 -3.375 1.00 0.00 H new ATOM 1132 N ASP A 72 11.100 -7.076 -3.038 1.00 0.00 N ATOM 1133 CA ASP A 72 10.462 -5.866 -2.524 1.00 0.00 C ATOM 1134 C ASP A 72 11.140 -4.604 -3.056 1.00 0.00 C ATOM 1135 O ASP A 72 10.593 -3.507 -2.943 1.00 0.00 O ATOM 1136 CB ASP A 72 10.480 -5.863 -0.994 1.00 0.00 C ATOM 1137 CG ASP A 72 9.948 -7.154 -0.403 1.00 0.00 C ATOM 1138 OD1 ASP A 72 9.428 -7.991 -1.171 1.00 0.00 O ATOM 1139 OD2 ASP A 72 10.053 -7.329 0.830 1.00 0.00 O ATOM 0 H ASP A 72 11.785 -7.496 -2.409 1.00 0.00 H new ATOM 0 HA ASP A 72 9.429 -5.866 -2.872 1.00 0.00 H new ATOM 0 HB2 ASP A 72 11.500 -5.702 -0.646 1.00 0.00 H new ATOM 0 HB3 ASP A 72 9.883 -5.027 -0.629 1.00 0.00 H new ATOM 1144 N SER A 73 12.327 -4.759 -3.637 1.00 0.00 N ATOM 1145 CA SER A 73 13.060 -3.619 -4.182 1.00 0.00 C ATOM 1146 C SER A 73 12.571 -3.290 -5.588 1.00 0.00 C ATOM 1147 O SER A 73 12.646 -4.124 -6.490 1.00 0.00 O ATOM 1148 CB SER A 73 14.561 -3.915 -4.205 1.00 0.00 C ATOM 1149 OG SER A 73 15.243 -3.033 -5.081 1.00 0.00 O ATOM 0 H SER A 73 12.800 -5.657 -3.742 1.00 0.00 H new ATOM 0 HA SER A 73 12.880 -2.757 -3.540 1.00 0.00 H new ATOM 0 HB2 SER A 73 14.969 -3.820 -3.199 1.00 0.00 H new ATOM 0 HB3 SER A 73 14.727 -4.945 -4.520 1.00 0.00 H new ATOM 0 HG SER A 73 16.200 -3.242 -5.076 1.00 0.00 H new ATOM 1155 N GLY A 74 12.067 -2.073 -5.770 1.00 0.00 N ATOM 1156 CA GLY A 74 11.573 -1.671 -7.071 1.00 0.00 C ATOM 1157 C GLY A 74 10.628 -0.477 -6.992 1.00 0.00 C ATOM 1158 O GLY A 74 10.882 0.461 -6.239 1.00 0.00 O ATOM 0 H GLY A 74 11.993 -1.362 -5.042 1.00 0.00 H new ATOM 0 HA2 GLY A 74 12.416 -1.421 -7.715 1.00 0.00 H new ATOM 0 HA3 GLY A 74 11.055 -2.510 -7.535 1.00 0.00 H new ATOM 1162 N THR A 75 9.543 -0.500 -7.770 1.00 0.00 N ATOM 1163 CA THR A 75 8.579 0.602 -7.771 1.00 0.00 C ATOM 1164 C THR A 75 7.191 0.105 -7.362 1.00 0.00 C ATOM 1165 O THR A 75 6.695 -0.887 -7.895 1.00 0.00 O ATOM 1166 CB THR A 75 8.535 1.239 -9.167 1.00 0.00 C ATOM 1167 OG1 THR A 75 9.587 2.175 -9.319 1.00 0.00 O ATOM 1168 CG2 THR A 75 7.240 1.958 -9.478 1.00 0.00 C ATOM 0 H THR A 75 9.311 -1.265 -8.404 1.00 0.00 H new ATOM 0 HA THR A 75 8.893 1.352 -7.045 1.00 0.00 H new ATOM 0 HB THR A 75 8.633 0.403 -9.859 1.00 0.00 H new ATOM 0 HG1 THR A 75 9.546 2.571 -10.215 1.00 0.00 H new ATOM 0 HG21 THR A 75 7.290 2.380 -10.482 1.00 0.00 H new ATOM 0 HG22 THR A 75 6.410 1.254 -9.421 1.00 0.00 H new ATOM 0 HG23 THR A 75 7.086 2.759 -8.755 1.00 0.00 H new ATOM 1176 N TYR A 76 6.569 0.808 -6.419 1.00 0.00 N ATOM 1177 CA TYR A 76 5.237 0.443 -5.946 1.00 0.00 C ATOM 1178 C TYR A 76 4.197 1.420 -6.482 1.00 0.00 C ATOM 1179 O TYR A 76 4.504 2.583 -6.741 1.00 0.00 O ATOM 1180 CB TYR A 76 5.196 0.423 -4.416 1.00 0.00 C ATOM 1181 CG TYR A 76 5.933 -0.744 -3.799 1.00 0.00 C ATOM 1182 CD1 TYR A 76 7.316 -0.833 -3.879 1.00 0.00 C ATOM 1183 CD2 TYR A 76 5.249 -1.754 -3.134 1.00 0.00 C ATOM 1184 CE1 TYR A 76 7.997 -1.895 -3.316 1.00 0.00 C ATOM 1185 CE2 TYR A 76 5.923 -2.820 -2.565 1.00 0.00 C ATOM 1186 CZ TYR A 76 7.296 -2.885 -2.659 1.00 0.00 C ATOM 1187 OH TYR A 76 7.969 -3.946 -2.095 1.00 0.00 O ATOM 0 H TYR A 76 6.966 1.632 -5.968 1.00 0.00 H new ATOM 0 HA TYR A 76 5.006 -0.556 -6.315 1.00 0.00 H new ATOM 0 HB2 TYR A 76 5.625 1.351 -4.039 1.00 0.00 H new ATOM 0 HB3 TYR A 76 4.156 0.397 -4.090 1.00 0.00 H new ATOM 0 HD1 TYR A 76 7.869 -0.059 -4.390 1.00 0.00 H new ATOM 0 HD2 TYR A 76 4.173 -1.706 -3.060 1.00 0.00 H new ATOM 0 HE1 TYR A 76 9.073 -1.950 -3.390 1.00 0.00 H new ATOM 0 HE2 TYR A 76 5.376 -3.596 -2.050 1.00 0.00 H new ATOM 0 HH TYR A 76 8.934 -3.782 -2.139 1.00 0.00 H new ATOM 1197 N ASN A 77 2.969 0.942 -6.654 1.00 0.00 N ATOM 1198 CA ASN A 77 1.891 1.780 -7.167 1.00 0.00 C ATOM 1199 C ASN A 77 0.614 1.602 -6.352 1.00 0.00 C ATOM 1200 O ASN A 77 0.083 0.493 -6.245 1.00 0.00 O ATOM 1201 CB ASN A 77 1.619 1.445 -8.636 1.00 0.00 C ATOM 1202 CG ASN A 77 2.181 2.486 -9.585 1.00 0.00 C ATOM 1203 OD1 ASN A 77 2.296 3.661 -9.237 1.00 0.00 O ATOM 1204 ND2 ASN A 77 2.532 2.057 -10.792 1.00 0.00 N ATOM 0 H ASN A 77 2.696 -0.019 -6.446 1.00 0.00 H new ATOM 0 HA ASN A 77 2.206 2.820 -7.083 1.00 0.00 H new ATOM 0 HB2 ASN A 77 2.054 0.473 -8.870 1.00 0.00 H new ATOM 0 HB3 ASN A 77 0.544 1.359 -8.792 1.00 0.00 H new ATOM 0 HD21 ASN A 77 2.915 2.711 -11.474 1.00 0.00 H new ATOM 0 HD22 ASN A 77 2.419 1.073 -11.036 1.00 0.00 H new ATOM 1211 N VAL A 78 0.115 2.701 -5.787 1.00 0.00 N ATOM 1212 CA VAL A 78 -1.111 2.656 -4.998 1.00 0.00 C ATOM 1213 C VAL A 78 -2.277 3.288 -5.752 1.00 0.00 C ATOM 1214 O VAL A 78 -2.154 4.388 -6.300 1.00 0.00 O ATOM 1215 CB VAL A 78 -0.984 3.375 -3.633 1.00 0.00 C ATOM 1216 CG1 VAL A 78 -1.782 2.625 -2.575 1.00 0.00 C ATOM 1217 CG2 VAL A 78 0.472 3.542 -3.203 1.00 0.00 C ATOM 0 H VAL A 78 0.539 3.626 -5.861 1.00 0.00 H new ATOM 0 HA VAL A 78 -1.295 1.597 -4.819 1.00 0.00 H new ATOM 0 HB VAL A 78 -1.395 4.378 -3.745 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -1.688 3.137 -1.617 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -2.832 2.592 -2.867 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -1.399 1.609 -2.482 1.00 0.00 H new ATOM 0 HG21 VAL A 78 0.511 4.051 -2.240 1.00 0.00 H new ATOM 0 HG22 VAL A 78 0.940 2.562 -3.114 1.00 0.00 H new ATOM 0 HG23 VAL A 78 1.006 4.132 -3.948 1.00 0.00 H new ATOM 1227 N THR A 79 -3.413 2.597 -5.750 1.00 0.00 N ATOM 1228 CA THR A 79 -4.617 3.087 -6.406 1.00 0.00 C ATOM 1229 C THR A 79 -5.736 3.227 -5.380 1.00 0.00 C ATOM 1230 O THR A 79 -6.324 2.235 -4.947 1.00 0.00 O ATOM 1231 CB THR A 79 -5.042 2.146 -7.536 1.00 0.00 C ATOM 1232 OG1 THR A 79 -4.046 1.169 -7.780 1.00 0.00 O ATOM 1233 CG2 THR A 79 -5.308 2.867 -8.839 1.00 0.00 C ATOM 0 H THR A 79 -3.523 1.690 -5.297 1.00 0.00 H new ATOM 0 HA THR A 79 -4.407 4.063 -6.844 1.00 0.00 H new ATOM 0 HB THR A 79 -5.969 1.684 -7.196 1.00 0.00 H new ATOM 0 HG1 THR A 79 -4.339 0.577 -8.504 1.00 0.00 H new ATOM 0 HG21 THR A 79 -5.605 2.145 -9.600 1.00 0.00 H new ATOM 0 HG22 THR A 79 -6.108 3.594 -8.696 1.00 0.00 H new ATOM 0 HG23 THR A 79 -4.403 3.382 -9.161 1.00 0.00 H new ATOM 1241 N VAL A 80 -6.007 4.461 -4.979 1.00 0.00 N ATOM 1242 CA VAL A 80 -7.038 4.734 -3.983 1.00 0.00 C ATOM 1243 C VAL A 80 -8.380 5.055 -4.634 1.00 0.00 C ATOM 1244 O VAL A 80 -8.466 5.908 -5.516 1.00 0.00 O ATOM 1245 CB VAL A 80 -6.617 5.905 -3.065 1.00 0.00 C ATOM 1246 CG1 VAL A 80 -7.730 6.272 -2.096 1.00 0.00 C ATOM 1247 CG2 VAL A 80 -5.341 5.565 -2.305 1.00 0.00 C ATOM 0 H VAL A 80 -5.528 5.291 -5.328 1.00 0.00 H new ATOM 0 HA VAL A 80 -7.153 3.830 -3.386 1.00 0.00 H new ATOM 0 HB VAL A 80 -6.422 6.770 -3.699 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -7.404 7.098 -1.464 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -8.616 6.571 -2.656 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -7.968 5.410 -1.473 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -5.064 6.403 -1.666 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -5.508 4.680 -1.691 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -4.537 5.368 -3.014 1.00 0.00 H new ATOM 1257 N TYR A 81 -9.426 4.367 -4.181 1.00 0.00 N ATOM 1258 CA TYR A 81 -10.766 4.581 -4.705 1.00 0.00 C ATOM 1259 C TYR A 81 -11.724 4.993 -3.599 1.00 0.00 C ATOM 1260 O TYR A 81 -11.533 4.652 -2.428 1.00 0.00 O ATOM 1261 CB TYR A 81 -11.295 3.324 -5.373 1.00 0.00 C ATOM 1262 CG TYR A 81 -10.500 2.885 -6.584 1.00 0.00 C ATOM 1263 CD1 TYR A 81 -10.774 3.405 -7.843 1.00 0.00 C ATOM 1264 CD2 TYR A 81 -9.480 1.949 -6.470 1.00 0.00 C ATOM 1265 CE1 TYR A 81 -10.053 3.006 -8.952 1.00 0.00 C ATOM 1266 CE2 TYR A 81 -8.755 1.545 -7.574 1.00 0.00 C ATOM 1267 CZ TYR A 81 -9.045 2.076 -8.813 1.00 0.00 C ATOM 1268 OH TYR A 81 -8.327 1.675 -9.916 1.00 0.00 O ATOM 0 H TYR A 81 -9.367 3.657 -3.451 1.00 0.00 H new ATOM 0 HA TYR A 81 -10.701 5.381 -5.442 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -11.303 2.514 -4.644 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -12.329 3.493 -5.673 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -11.564 4.133 -7.957 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -9.250 1.530 -5.502 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -10.278 3.421 -9.923 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -7.965 0.817 -7.467 1.00 0.00 H new ATOM 0 HH TYR A 81 -7.653 1.016 -9.646 1.00 0.00 H new ATOM 1278 N SER A 82 -12.760 5.714 -3.997 1.00 0.00 N ATOM 1279 CA SER A 82 -13.779 6.196 -3.071 1.00 0.00 C ATOM 1280 C SER A 82 -14.891 5.169 -2.886 1.00 0.00 C ATOM 1281 O SER A 82 -14.899 4.120 -3.529 1.00 0.00 O ATOM 1282 CB SER A 82 -14.373 7.514 -3.572 1.00 0.00 C ATOM 1283 OG SER A 82 -13.907 7.827 -4.873 1.00 0.00 O ATOM 0 H SER A 82 -12.920 5.982 -4.968 1.00 0.00 H new ATOM 0 HA SER A 82 -13.298 6.359 -2.106 1.00 0.00 H new ATOM 0 HB2 SER A 82 -15.461 7.445 -3.580 1.00 0.00 H new ATOM 0 HB3 SER A 82 -14.109 8.319 -2.886 1.00 0.00 H new ATOM 0 HG SER A 82 -14.304 8.673 -5.168 1.00 0.00 H new ATOM 1289 N THR A 83 -15.829 5.488 -2.003 1.00 0.00 N ATOM 1290 CA THR A 83 -16.957 4.606 -1.726 1.00 0.00 C ATOM 1291 C THR A 83 -17.844 4.450 -2.958 1.00 0.00 C ATOM 1292 O THR A 83 -18.499 3.423 -3.137 1.00 0.00 O ATOM 1293 CB THR A 83 -17.781 5.149 -0.557 1.00 0.00 C ATOM 1294 OG1 THR A 83 -18.066 6.524 -0.741 1.00 0.00 O ATOM 1295 CG2 THR A 83 -17.096 4.997 0.784 1.00 0.00 C ATOM 0 H THR A 83 -15.831 6.354 -1.464 1.00 0.00 H new ATOM 0 HA THR A 83 -16.561 3.626 -1.460 1.00 0.00 H new ATOM 0 HB THR A 83 -18.694 4.553 -0.548 1.00 0.00 H new ATOM 0 HG1 THR A 83 -18.595 6.853 0.016 1.00 0.00 H new ATOM 0 HG21 THR A 83 -17.736 5.403 1.568 1.00 0.00 H new ATOM 0 HG22 THR A 83 -16.908 3.941 0.979 1.00 0.00 H new ATOM 0 HG23 THR A 83 -16.150 5.538 0.772 1.00 0.00 H new ATOM 1303 N ASN A 84 -17.864 5.476 -3.803 1.00 0.00 N ATOM 1304 CA ASN A 84 -18.674 5.452 -5.017 1.00 0.00 C ATOM 1305 C ASN A 84 -18.022 4.602 -6.106 1.00 0.00 C ATOM 1306 O ASN A 84 -18.603 4.397 -7.173 1.00 0.00 O ATOM 1307 CB ASN A 84 -18.896 6.875 -5.532 1.00 0.00 C ATOM 1308 CG ASN A 84 -20.286 7.070 -6.105 1.00 0.00 C ATOM 1309 OD1 ASN A 84 -20.539 6.763 -7.271 1.00 0.00 O ATOM 1310 ND2 ASN A 84 -21.197 7.586 -5.288 1.00 0.00 N ATOM 0 H ASN A 84 -17.329 6.334 -3.670 1.00 0.00 H new ATOM 0 HA ASN A 84 -19.635 5.003 -4.767 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -18.739 7.582 -4.718 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -18.155 7.101 -6.298 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -22.149 7.742 -5.619 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -20.945 7.826 -4.329 1.00 0.00 H new ATOM 1317 N GLY A 85 -16.817 4.107 -5.838 1.00 0.00 N ATOM 1318 CA GLY A 85 -16.118 3.287 -6.810 1.00 0.00 C ATOM 1319 C GLY A 85 -15.389 4.114 -7.851 1.00 0.00 C ATOM 1320 O GLY A 85 -15.181 3.663 -8.977 1.00 0.00 O ATOM 0 H GLY A 85 -16.313 4.260 -4.965 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -15.403 2.647 -6.293 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -16.832 2.631 -7.307 1.00 0.00 H new ATOM 1324 N THR A 86 -15.000 5.328 -7.474 1.00 0.00 N ATOM 1325 CA THR A 86 -14.289 6.220 -8.383 1.00 0.00 C ATOM 1326 C THR A 86 -12.816 6.320 -8.001 1.00 0.00 C ATOM 1327 O THR A 86 -12.420 5.920 -6.907 1.00 0.00 O ATOM 1328 CB THR A 86 -14.929 7.611 -8.374 1.00 0.00 C ATOM 1329 OG1 THR A 86 -16.201 7.576 -7.750 1.00 0.00 O ATOM 1330 CG2 THR A 86 -15.114 8.193 -9.758 1.00 0.00 C ATOM 0 H THR A 86 -15.165 5.716 -6.545 1.00 0.00 H new ATOM 0 HA THR A 86 -14.358 5.806 -9.389 1.00 0.00 H new ATOM 0 HB THR A 86 -14.235 8.243 -7.820 1.00 0.00 H new ATOM 0 HG1 THR A 86 -16.592 8.475 -7.753 1.00 0.00 H new ATOM 0 HG21 THR A 86 -15.572 9.179 -9.680 1.00 0.00 H new ATOM 0 HG22 THR A 86 -14.144 8.281 -10.248 1.00 0.00 H new ATOM 0 HG23 THR A 86 -15.759 7.539 -10.345 1.00 0.00 H new ATOM 1338 N ARG A 87 -12.007 6.857 -8.909 1.00 0.00 N ATOM 1339 CA ARG A 87 -10.577 7.009 -8.662 1.00 0.00 C ATOM 1340 C ARG A 87 -10.316 8.193 -7.738 1.00 0.00 C ATOM 1341 O ARG A 87 -10.880 9.272 -7.920 1.00 0.00 O ATOM 1342 CB ARG A 87 -9.811 7.192 -9.978 1.00 0.00 C ATOM 1343 CG ARG A 87 -10.483 6.551 -11.184 1.00 0.00 C ATOM 1344 CD ARG A 87 -11.212 7.582 -12.030 1.00 0.00 C ATOM 1345 NE ARG A 87 -12.470 7.064 -12.561 1.00 0.00 N ATOM 1346 CZ ARG A 87 -13.452 7.833 -13.025 1.00 0.00 C ATOM 1347 NH1 ARG A 87 -13.326 9.155 -13.024 1.00 0.00 N ATOM 1348 NH2 ARG A 87 -14.563 7.280 -13.491 1.00 0.00 N ATOM 0 H ARG A 87 -12.316 7.194 -9.821 1.00 0.00 H new ATOM 0 HA ARG A 87 -10.222 6.099 -8.178 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -9.688 8.258 -10.169 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -8.812 6.771 -9.866 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -9.734 6.044 -11.792 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -11.188 5.791 -10.847 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -11.410 8.469 -11.429 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -10.571 7.893 -12.855 1.00 0.00 H new ATOM 0 HE ARG A 87 -12.604 6.053 -12.577 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -12.473 9.586 -12.666 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -14.082 9.740 -13.381 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -14.665 6.265 -13.494 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -15.316 7.869 -13.847 1.00 0.00 H new ATOM 1362 N ILE A 88 -9.462 7.983 -6.741 1.00 0.00 N ATOM 1363 CA ILE A 88 -9.135 9.033 -5.783 1.00 0.00 C ATOM 1364 C ILE A 88 -7.690 9.501 -5.941 1.00 0.00 C ATOM 1365 O ILE A 88 -7.440 10.646 -6.317 1.00 0.00 O ATOM 1366 CB ILE A 88 -9.359 8.555 -4.333 1.00 0.00 C ATOM 1367 CG1 ILE A 88 -10.830 8.194 -4.118 1.00 0.00 C ATOM 1368 CG2 ILE A 88 -8.920 9.623 -3.337 1.00 0.00 C ATOM 1369 CD1 ILE A 88 -11.762 9.381 -4.216 1.00 0.00 C ATOM 0 H ILE A 88 -8.985 7.097 -6.576 1.00 0.00 H new ATOM 0 HA ILE A 88 -9.802 9.870 -5.990 1.00 0.00 H new ATOM 0 HB ILE A 88 -8.752 7.665 -4.165 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -11.125 7.448 -4.856 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -10.943 7.733 -3.137 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -9.087 9.264 -2.321 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -7.860 9.837 -3.476 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -9.498 10.532 -3.500 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -12.788 9.052 -4.053 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -11.493 10.118 -3.460 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -11.677 9.829 -5.206 1.00 0.00 H new ATOM 1381 N LEU A 89 -6.745 8.619 -5.636 1.00 0.00 N ATOM 1382 CA LEU A 89 -5.331 8.965 -5.734 1.00 0.00 C ATOM 1383 C LEU A 89 -4.499 7.806 -6.276 1.00 0.00 C ATOM 1384 O LEU A 89 -4.558 6.687 -5.765 1.00 0.00 O ATOM 1385 CB LEU A 89 -4.802 9.391 -4.360 1.00 0.00 C ATOM 1386 CG LEU A 89 -3.278 9.510 -4.251 1.00 0.00 C ATOM 1387 CD1 LEU A 89 -2.896 10.671 -3.346 1.00 0.00 C ATOM 1388 CD2 LEU A 89 -2.674 8.207 -3.735 1.00 0.00 C ATOM 0 H LEU A 89 -6.929 7.666 -5.321 1.00 0.00 H new ATOM 0 HA LEU A 89 -5.240 9.794 -6.436 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -5.244 10.353 -4.102 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -5.147 8.672 -3.617 1.00 0.00 H new ATOM 0 HG LEU A 89 -2.877 9.704 -5.246 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -1.810 10.740 -3.281 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -3.294 11.599 -3.757 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -3.310 10.508 -2.351 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -1.591 8.311 -3.664 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -3.082 7.982 -2.750 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -2.917 7.396 -4.422 1.00 0.00 H new ATOM 1400 N ASN A 90 -3.703 8.099 -7.298 1.00 0.00 N ATOM 1401 CA ASN A 90 -2.824 7.110 -7.908 1.00 0.00 C ATOM 1402 C ASN A 90 -1.377 7.550 -7.731 1.00 0.00 C ATOM 1403 O ASN A 90 -0.932 8.509 -8.362 1.00 0.00 O ATOM 1404 CB ASN A 90 -3.151 6.944 -9.394 1.00 0.00 C ATOM 1405 CG ASN A 90 -3.136 5.492 -9.831 1.00 0.00 C ATOM 1406 OD1 ASN A 90 -3.989 5.057 -10.605 1.00 0.00 O ATOM 1407 ND2 ASN A 90 -2.165 4.734 -9.337 1.00 0.00 N ATOM 0 H ASN A 90 -3.649 9.024 -7.725 1.00 0.00 H new ATOM 0 HA ASN A 90 -2.973 6.147 -7.419 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -4.133 7.371 -9.597 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -2.430 7.506 -9.987 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -2.105 3.749 -9.596 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -1.479 5.136 -8.698 1.00 0.00 H new ATOM 1414 N LYS A 91 -0.653 6.872 -6.848 1.00 0.00 N ATOM 1415 CA LYS A 91 0.737 7.237 -6.576 1.00 0.00 C ATOM 1416 C LYS A 91 1.714 6.120 -6.927 1.00 0.00 C ATOM 1417 O LYS A 91 1.348 4.947 -6.998 1.00 0.00 O ATOM 1418 CB LYS A 91 0.904 7.619 -5.103 1.00 0.00 C ATOM 1419 CG LYS A 91 0.113 8.850 -4.698 1.00 0.00 C ATOM 1420 CD LYS A 91 0.948 10.115 -4.821 1.00 0.00 C ATOM 1421 CE LYS A 91 0.090 11.363 -4.706 1.00 0.00 C ATOM 1422 NZ LYS A 91 0.583 12.461 -5.582 1.00 0.00 N ATOM 0 H LYS A 91 -0.998 6.075 -6.312 1.00 0.00 H new ATOM 0 HA LYS A 91 0.971 8.091 -7.212 1.00 0.00 H new ATOM 0 HB2 LYS A 91 0.595 6.779 -4.482 1.00 0.00 H new ATOM 0 HB3 LYS A 91 1.961 7.794 -4.900 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -0.774 8.936 -5.325 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -0.233 8.740 -3.670 1.00 0.00 H new ATOM 0 HD2 LYS A 91 1.712 10.125 -4.044 1.00 0.00 H new ATOM 0 HD3 LYS A 91 1.468 10.117 -5.779 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -0.939 11.121 -4.972 1.00 0.00 H new ATOM 0 HE3 LYS A 91 0.080 11.702 -3.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -0.030 13.294 -5.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 1.556 12.710 -5.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 0.568 12.147 -6.573 1.00 0.00 H new ATOM 1436 N ALA A 92 2.969 6.512 -7.132 1.00 0.00 N ATOM 1437 CA ALA A 92 4.037 5.579 -7.464 1.00 0.00 C ATOM 1438 C ALA A 92 5.322 5.972 -6.741 1.00 0.00 C ATOM 1439 O ALA A 92 5.773 7.113 -6.843 1.00 0.00 O ATOM 1440 CB ALA A 92 4.259 5.550 -8.968 1.00 0.00 C ATOM 0 H ALA A 92 3.272 7.484 -7.072 1.00 0.00 H new ATOM 0 HA ALA A 92 3.747 4.580 -7.138 1.00 0.00 H new ATOM 0 HB1 ALA A 92 5.060 4.849 -9.204 1.00 0.00 H new ATOM 0 HB2 ALA A 92 3.342 5.234 -9.465 1.00 0.00 H new ATOM 0 HB3 ALA A 92 4.535 6.546 -9.314 1.00 0.00 H new ATOM 1446 N LEU A 93 5.902 5.033 -6.000 1.00 0.00 N ATOM 1447 CA LEU A 93 7.128 5.308 -5.254 1.00 0.00 C ATOM 1448 C LEU A 93 8.231 4.313 -5.598 1.00 0.00 C ATOM 1449 O LEU A 93 7.969 3.232 -6.127 1.00 0.00 O ATOM 1450 CB LEU A 93 6.852 5.268 -3.749 1.00 0.00 C ATOM 1451 CG LEU A 93 5.506 5.857 -3.317 1.00 0.00 C ATOM 1452 CD1 LEU A 93 4.377 4.884 -3.618 1.00 0.00 C ATOM 1453 CD2 LEU A 93 5.531 6.203 -1.836 1.00 0.00 C ATOM 0 H LEU A 93 5.547 4.082 -5.899 1.00 0.00 H new ATOM 0 HA LEU A 93 7.468 6.304 -5.538 1.00 0.00 H new ATOM 0 HB2 LEU A 93 6.901 4.232 -3.414 1.00 0.00 H new ATOM 0 HB3 LEU A 93 7.648 5.807 -3.235 1.00 0.00 H new ATOM 0 HG LEU A 93 5.331 6.772 -3.883 1.00 0.00 H new ATOM 0 HD11 LEU A 93 3.428 5.319 -3.304 1.00 0.00 H new ATOM 0 HD12 LEU A 93 4.347 4.681 -4.689 1.00 0.00 H new ATOM 0 HD13 LEU A 93 4.545 3.953 -3.077 1.00 0.00 H new ATOM 0 HD21 LEU A 93 4.568 6.621 -1.544 1.00 0.00 H new ATOM 0 HD22 LEU A 93 5.727 5.302 -1.255 1.00 0.00 H new ATOM 0 HD23 LEU A 93 6.316 6.935 -1.647 1.00 0.00 H new ATOM 1465 N ASP A 94 9.469 4.687 -5.282 1.00 0.00 N ATOM 1466 CA ASP A 94 10.622 3.834 -5.541 1.00 0.00 C ATOM 1467 C ASP A 94 11.199 3.312 -4.226 1.00 0.00 C ATOM 1468 O ASP A 94 11.658 4.088 -3.389 1.00 0.00 O ATOM 1469 CB ASP A 94 11.694 4.608 -6.311 1.00 0.00 C ATOM 1470 CG ASP A 94 11.184 5.135 -7.638 1.00 0.00 C ATOM 1471 OD1 ASP A 94 9.971 5.411 -7.742 1.00 0.00 O ATOM 1472 OD2 ASP A 94 12.000 5.271 -8.575 1.00 0.00 O ATOM 0 H ASP A 94 9.698 5.580 -4.844 1.00 0.00 H new ATOM 0 HA ASP A 94 10.298 2.987 -6.146 1.00 0.00 H new ATOM 0 HB2 ASP A 94 12.044 5.442 -5.702 1.00 0.00 H new ATOM 0 HB3 ASP A 94 12.552 3.959 -6.486 1.00 0.00 H new ATOM 1477 N LEU A 95 11.164 1.997 -4.041 1.00 0.00 N ATOM 1478 CA LEU A 95 11.674 1.390 -2.821 1.00 0.00 C ATOM 1479 C LEU A 95 13.024 0.715 -3.059 1.00 0.00 C ATOM 1480 O LEU A 95 13.087 -0.377 -3.630 1.00 0.00 O ATOM 1481 CB LEU A 95 10.673 0.365 -2.285 1.00 0.00 C ATOM 1482 CG LEU A 95 10.458 0.402 -0.773 1.00 0.00 C ATOM 1483 CD1 LEU A 95 9.503 -0.695 -0.338 1.00 0.00 C ATOM 1484 CD2 LEU A 95 11.786 0.272 -0.043 1.00 0.00 C ATOM 0 H LEU A 95 10.789 1.334 -4.719 1.00 0.00 H new ATOM 0 HA LEU A 95 11.813 2.183 -2.086 1.00 0.00 H new ATOM 0 HB2 LEU A 95 9.714 0.525 -2.777 1.00 0.00 H new ATOM 0 HB3 LEU A 95 11.012 -0.632 -2.564 1.00 0.00 H new ATOM 0 HG LEU A 95 10.014 1.363 -0.515 1.00 0.00 H new ATOM 0 HD11 LEU A 95 9.365 -0.650 0.742 1.00 0.00 H new ATOM 0 HD12 LEU A 95 8.542 -0.558 -0.833 1.00 0.00 H new ATOM 0 HD13 LEU A 95 9.916 -1.666 -0.610 1.00 0.00 H new ATOM 0 HD21 LEU A 95 11.614 0.300 1.033 1.00 0.00 H new ATOM 0 HD22 LEU A 95 12.257 -0.674 -0.310 1.00 0.00 H new ATOM 0 HD23 LEU A 95 12.440 1.096 -0.328 1.00 0.00 H new ATOM 1496 N ARG A 96 14.098 1.364 -2.613 1.00 0.00 N ATOM 1497 CA ARG A 96 15.442 0.818 -2.771 1.00 0.00 C ATOM 1498 C ARG A 96 15.908 0.150 -1.480 1.00 0.00 C ATOM 1499 O ARG A 96 16.071 0.806 -0.446 1.00 0.00 O ATOM 1500 CB ARG A 96 16.433 1.909 -3.194 1.00 0.00 C ATOM 1501 CG ARG A 96 15.778 3.204 -3.656 1.00 0.00 C ATOM 1502 CD ARG A 96 14.935 2.986 -4.905 1.00 0.00 C ATOM 1503 NE ARG A 96 15.563 2.055 -5.840 1.00 0.00 N ATOM 1504 CZ ARG A 96 16.627 2.354 -6.581 1.00 0.00 C ATOM 1505 NH1 ARG A 96 17.186 3.556 -6.499 1.00 0.00 N ATOM 1506 NH2 ARG A 96 17.137 1.449 -7.405 1.00 0.00 N ATOM 0 H ARG A 96 14.063 2.267 -2.140 1.00 0.00 H new ATOM 0 HA ARG A 96 15.407 0.065 -3.559 1.00 0.00 H new ATOM 0 HB2 ARG A 96 17.094 2.129 -2.355 1.00 0.00 H new ATOM 0 HB3 ARG A 96 17.058 1.524 -4.000 1.00 0.00 H new ATOM 0 HG2 ARG A 96 15.152 3.602 -2.857 1.00 0.00 H new ATOM 0 HG3 ARG A 96 16.547 3.950 -3.860 1.00 0.00 H new ATOM 0 HD2 ARG A 96 13.955 2.604 -4.618 1.00 0.00 H new ATOM 0 HD3 ARG A 96 14.771 3.942 -5.402 1.00 0.00 H new ATOM 0 HE ARG A 96 15.162 1.121 -5.930 1.00 0.00 H new ATOM 0 HH11 ARG A 96 16.800 4.256 -5.865 1.00 0.00 H new ATOM 0 HH12 ARG A 96 18.001 3.779 -7.070 1.00 0.00 H new ATOM 0 HH21 ARG A 96 16.714 0.523 -7.471 1.00 0.00 H new ATOM 0 HH22 ARG A 96 17.953 1.679 -7.973 1.00 0.00 H new ATOM 1520 N ILE A 97 16.108 -1.162 -1.545 1.00 0.00 N ATOM 1521 CA ILE A 97 16.539 -1.932 -0.387 1.00 0.00 C ATOM 1522 C ILE A 97 18.001 -2.347 -0.503 1.00 0.00 C ATOM 1523 O ILE A 97 18.359 -3.172 -1.345 1.00 0.00 O ATOM 1524 CB ILE A 97 15.681 -3.199 -0.204 1.00 0.00 C ATOM 1525 CG1 ILE A 97 14.216 -2.917 -0.555 1.00 0.00 C ATOM 1526 CG2 ILE A 97 15.801 -3.717 1.221 1.00 0.00 C ATOM 1527 CD1 ILE A 97 13.429 -4.162 -0.893 1.00 0.00 C ATOM 0 H ILE A 97 15.977 -1.715 -2.392 1.00 0.00 H new ATOM 0 HA ILE A 97 16.417 -1.281 0.479 1.00 0.00 H new ATOM 0 HB ILE A 97 16.050 -3.967 -0.884 1.00 0.00 H new ATOM 0 HG12 ILE A 97 13.740 -2.412 0.285 1.00 0.00 H new ATOM 0 HG13 ILE A 97 14.178 -2.231 -1.402 1.00 0.00 H new ATOM 0 HG21 ILE A 97 15.190 -4.612 1.335 1.00 0.00 H new ATOM 0 HG22 ILE A 97 16.842 -3.959 1.434 1.00 0.00 H new ATOM 0 HG23 ILE A 97 15.457 -2.951 1.917 1.00 0.00 H new ATOM 0 HD11 ILE A 97 12.401 -3.889 -1.131 1.00 0.00 H new ATOM 0 HD12 ILE A 97 13.882 -4.656 -1.752 1.00 0.00 H new ATOM 0 HD13 ILE A 97 13.436 -4.840 -0.039 1.00 0.00 H new ATOM 1539 N LEU A 98 18.843 -1.776 0.352 1.00 0.00 N ATOM 1540 CA LEU A 98 20.248 -2.076 0.363 1.00 0.00 C ATOM 1541 C LEU A 98 20.510 -3.404 1.059 1.00 0.00 C ATOM 1542 O LEU A 98 19.620 -3.986 1.681 1.00 0.00 O ATOM 1543 CB LEU A 98 20.980 -0.950 1.081 1.00 0.00 C ATOM 1544 CG LEU A 98 21.468 0.182 0.179 1.00 0.00 C ATOM 1545 CD1 LEU A 98 22.045 1.316 1.010 1.00 0.00 C ATOM 1546 CD2 LEU A 98 22.499 -0.333 -0.816 1.00 0.00 C ATOM 0 H LEU A 98 18.558 -1.092 1.053 1.00 0.00 H new ATOM 0 HA LEU A 98 20.610 -2.160 -0.662 1.00 0.00 H new ATOM 0 HB2 LEU A 98 20.317 -0.531 1.838 1.00 0.00 H new ATOM 0 HB3 LEU A 98 21.837 -1.371 1.606 1.00 0.00 H new ATOM 0 HG LEU A 98 20.615 0.567 -0.380 1.00 0.00 H new ATOM 0 HD11 LEU A 98 22.387 2.113 0.350 1.00 0.00 H new ATOM 0 HD12 LEU A 98 21.277 1.704 1.679 1.00 0.00 H new ATOM 0 HD13 LEU A 98 22.885 0.946 1.598 1.00 0.00 H new ATOM 0 HD21 LEU A 98 22.835 0.488 -1.450 1.00 0.00 H new ATOM 0 HD22 LEU A 98 23.351 -0.746 -0.276 1.00 0.00 H new ATOM 0 HD23 LEU A 98 22.051 -1.110 -1.436 1.00 0.00 H new