USER MOD reduce.3.24.130724 H: found=0, std=0, add=994, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 995 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 26 THR OG1 : rot 74:sc= 0.196 USER MOD Set 1.2: A 27 ASN : amide:sc= 0.199 X(o=0.39,f=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= -0.134 X(o=-0.13,f=0) USER MOD Single : A 14 CYS SG : rot -24:sc= -0.268 USER MOD Single : A 16 GLN : amide:sc= -0.02 X(o=-0.02,f=0) USER MOD Single : A 20 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 21 CYS SG : rot 74:sc= -4.1! USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 HIS :FLIP no HD1:sc= -8.18! C(o=-10!,f=-8.2!) USER MOD Single : A 31 THR OG1 : rot -73:sc= 0.859 USER MOD Single : A 34 SER OG : rot 180:sc= -0.0106 USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 42 GLN : amide:sc= -0.0536 X(o=-0.054,f=-0.36) USER MOD Single : A 43 THR OG1 : rot -27:sc= 0.0296 USER MOD Single : A 51 CYS SG : rot 140:sc= -1.79! USER MOD Single : A 52 GLN : amide:sc= 0 K(o=0,f=-2.3!) USER MOD Single : A 55 ASN : amide:sc= -1.63 K(o=-1.6,f=-13!) USER MOD Single : A 56 ASN : amide:sc= -0.214 X(o=-0.21,f=-0.15) USER MOD Single : A 60 HIS : no HD1:sc= -0.245 X(o=-0.24,f=-0.011) USER MOD Single : A 61 SER OG : rot 104:sc= -0.174 USER MOD Single : A 63 ASN : amide:sc= -0.024 K(o=-0.024,f=-2.1) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN :FLIP amide:sc= -1.45 F(o=-2.1,f=-1.4) USER MOD Single : A 75 GLN : amide:sc= -0.0828 K(o=-0.083,f=-1.1) USER MOD Single : A 78 CYS SG : rot -145:sc= -1.51! USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 ASN : amide:sc= 0.799 K(o=0.8,f=-2.4) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 68:sc= 0.605 USER MOD Single : A 89 CYS SG : rot 132:sc= -1.48! USER MOD Single : A 90 CYS SG : rot -22:sc= 0.0472 USER MOD Single : A 92 THR OG1 : rot 70:sc= -0.381 USER MOD Single : A 95 MET CE :methyl -158:sc= -1.52 (180deg=-3.31!) 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 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 THR OG1 : rot 73:sc= -0.0539 USER MOD Single : A 120 SER OG : rot -58:sc= 1.23 USER MOD Single : A 123 SER OG : rot -77:sc= 1.01 USER MOD Single : A 125 THR OG1 : rot -93:sc= 1.03 USER MOD Single : A 131 THR OG1 : rot -53:sc= 0.319 USER MOD ----------------------------------------------------------------- ATOM 98 N PRO A 10 11.733 0.630 7.070 1.00 0.00 N ATOM 99 CA PRO A 10 11.199 -0.270 6.043 1.00 0.00 C ATOM 100 C PRO A 10 10.375 0.470 4.995 1.00 0.00 C ATOM 101 O PRO A 10 9.905 -0.127 4.027 1.00 0.00 O ATOM 102 CB PRO A 10 10.312 -1.230 6.840 1.00 0.00 C ATOM 103 CG PRO A 10 9.918 -0.463 8.055 1.00 0.00 C ATOM 104 CD PRO A 10 11.086 0.429 8.377 1.00 0.00 C ATOM 0 HA PRO A 10 11.992 -0.765 5.483 1.00 0.00 H new ATOM 0 HB2 PRO A 10 9.438 -1.533 6.263 1.00 0.00 H new ATOM 0 HB3 PRO A 10 10.851 -2.140 7.104 1.00 0.00 H new ATOM 0 HG2 PRO A 10 9.018 0.123 7.872 1.00 0.00 H new ATOM 0 HG3 PRO A 10 9.698 -1.133 8.886 1.00 0.00 H new ATOM 0 HD2 PRO A 10 10.762 1.373 8.814 1.00 0.00 H new ATOM 0 HD3 PRO A 10 11.763 -0.038 9.093 1.00 0.00 H new ATOM 112 N TRP A 11 10.205 1.772 5.194 1.00 0.00 N ATOM 113 CA TRP A 11 9.438 2.593 4.265 1.00 0.00 C ATOM 114 C TRP A 11 10.353 3.250 3.236 1.00 0.00 C ATOM 115 O TRP A 11 10.032 3.302 2.049 1.00 0.00 O ATOM 116 CB TRP A 11 8.654 3.664 5.025 1.00 0.00 C ATOM 117 CG TRP A 11 9.421 4.936 5.220 1.00 0.00 C ATOM 118 CD1 TRP A 11 10.157 5.290 6.314 1.00 0.00 C ATOM 119 CD2 TRP A 11 9.524 6.024 4.295 1.00 0.00 C ATOM 120 NE1 TRP A 11 10.713 6.533 6.125 1.00 0.00 N ATOM 121 CE2 TRP A 11 10.341 7.004 4.893 1.00 0.00 C ATOM 122 CE3 TRP A 11 9.010 6.265 3.018 1.00 0.00 C ATOM 123 CZ2 TRP A 11 10.651 8.204 4.259 1.00 0.00 C ATOM 124 CZ3 TRP A 11 9.318 7.457 2.390 1.00 0.00 C ATOM 125 CH2 TRP A 11 10.133 8.413 3.009 1.00 0.00 C ATOM 0 H TRP A 11 10.588 2.282 5.990 1.00 0.00 H new ATOM 0 HA TRP A 11 8.737 1.944 3.740 1.00 0.00 H new ATOM 0 HB2 TRP A 11 7.734 3.883 4.484 1.00 0.00 H new ATOM 0 HB3 TRP A 11 8.365 3.270 5.999 1.00 0.00 H new ATOM 0 HD1 TRP A 11 10.284 4.683 7.198 1.00 0.00 H new ATOM 0 HE1 TRP A 11 11.306 7.025 6.793 1.00 0.00 H new ATOM 0 HE3 TRP A 11 8.383 5.533 2.531 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 11.277 8.943 4.736 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 8.923 7.655 1.404 1.00 0.00 H new ATOM 0 HH2 TRP A 11 10.357 9.333 2.490 1.00 0.00 H new ATOM 136 N LYS A 12 11.493 3.751 3.699 1.00 0.00 N ATOM 137 CA LYS A 12 12.455 4.403 2.820 1.00 0.00 C ATOM 138 C LYS A 12 12.680 3.582 1.554 1.00 0.00 C ATOM 139 O LYS A 12 12.719 4.126 0.451 1.00 0.00 O ATOM 140 CB LYS A 12 13.785 4.610 3.549 1.00 0.00 C ATOM 141 CG LYS A 12 13.666 5.457 4.804 1.00 0.00 C ATOM 142 CD LYS A 12 13.341 6.904 4.471 1.00 0.00 C ATOM 143 CE LYS A 12 14.567 7.648 3.964 1.00 0.00 C ATOM 144 NZ LYS A 12 14.504 9.102 4.281 1.00 0.00 N ATOM 0 H LYS A 12 11.773 3.718 4.679 1.00 0.00 H new ATOM 0 HA LYS A 12 12.049 5.373 2.535 1.00 0.00 H new ATOM 0 HB2 LYS A 12 14.199 3.637 3.815 1.00 0.00 H new ATOM 0 HB3 LYS A 12 14.493 5.082 2.868 1.00 0.00 H new ATOM 0 HG2 LYS A 12 12.888 5.047 5.448 1.00 0.00 H new ATOM 0 HG3 LYS A 12 14.600 5.412 5.364 1.00 0.00 H new ATOM 0 HD2 LYS A 12 12.556 6.937 3.716 1.00 0.00 H new ATOM 0 HD3 LYS A 12 12.952 7.404 5.358 1.00 0.00 H new ATOM 0 HE2 LYS A 12 15.463 7.218 4.410 1.00 0.00 H new ATOM 0 HE3 LYS A 12 14.652 7.515 2.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 15.357 9.574 3.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 13.662 9.519 3.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 14.448 9.231 5.312 1.00 0.00 H new ATOM 158 N GLN A 13 12.825 2.272 1.722 1.00 0.00 N ATOM 159 CA GLN A 13 13.044 1.377 0.592 1.00 0.00 C ATOM 160 C GLN A 13 11.729 1.052 -0.108 1.00 0.00 C ATOM 161 O GLN A 13 11.661 1.015 -1.337 1.00 0.00 O ATOM 162 CB GLN A 13 13.720 0.087 1.060 1.00 0.00 C ATOM 163 CG GLN A 13 12.911 -0.684 2.091 1.00 0.00 C ATOM 164 CD GLN A 13 13.751 -1.679 2.866 1.00 0.00 C ATOM 165 OE1 GLN A 13 13.463 -2.877 2.877 1.00 0.00 O ATOM 166 NE2 GLN A 13 14.797 -1.189 3.520 1.00 0.00 N ATOM 0 H GLN A 13 12.795 1.807 2.629 1.00 0.00 H new ATOM 0 HA GLN A 13 13.697 1.883 -0.119 1.00 0.00 H new ATOM 0 HB2 GLN A 13 13.898 -0.554 0.197 1.00 0.00 H new ATOM 0 HB3 GLN A 13 14.695 0.330 1.483 1.00 0.00 H new ATOM 0 HG2 GLN A 13 12.453 0.019 2.787 1.00 0.00 H new ATOM 0 HG3 GLN A 13 12.100 -1.212 1.590 1.00 0.00 H new ATOM 0 HE21 GLN A 13 14.999 -0.190 3.484 1.00 0.00 H new ATOM 0 HE22 GLN A 13 15.399 -1.812 4.059 1.00 0.00 H new ATOM 175 N CYS A 14 10.687 0.816 0.682 1.00 0.00 N ATOM 176 CA CYS A 14 9.373 0.492 0.137 1.00 0.00 C ATOM 177 C CYS A 14 8.972 1.490 -0.944 1.00 0.00 C ATOM 178 O CYS A 14 8.390 1.116 -1.963 1.00 0.00 O ATOM 179 CB CYS A 14 8.325 0.481 1.251 1.00 0.00 C ATOM 180 SG CYS A 14 6.695 -0.098 0.725 1.00 0.00 S ATOM 0 H CYS A 14 10.726 0.843 1.701 1.00 0.00 H new ATOM 0 HA CYS A 14 9.427 -0.500 -0.311 1.00 0.00 H new ATOM 0 HB2 CYS A 14 8.680 -0.154 2.063 1.00 0.00 H new ATOM 0 HB3 CYS A 14 8.228 1.489 1.654 1.00 0.00 H new ATOM 0 HG CYS A 14 6.560 0.090 -0.554 1.00 0.00 H new ATOM 186 N ALA A 15 9.285 2.761 -0.715 1.00 0.00 N ATOM 187 CA ALA A 15 8.958 3.812 -1.670 1.00 0.00 C ATOM 188 C ALA A 15 9.375 3.420 -3.083 1.00 0.00 C ATOM 189 O ALA A 15 8.614 3.591 -4.035 1.00 0.00 O ATOM 190 CB ALA A 15 9.623 5.119 -1.265 1.00 0.00 C ATOM 0 H ALA A 15 9.765 3.088 0.124 1.00 0.00 H new ATOM 0 HA ALA A 15 7.877 3.950 -1.664 1.00 0.00 H new ATOM 0 HB1 ALA A 15 9.370 5.895 -1.987 1.00 0.00 H new ATOM 0 HB2 ALA A 15 9.272 5.415 -0.276 1.00 0.00 H new ATOM 0 HB3 ALA A 15 10.704 4.985 -1.241 1.00 0.00 H new ATOM 196 N GLN A 16 10.589 2.895 -3.212 1.00 0.00 N ATOM 197 CA GLN A 16 11.108 2.480 -4.511 1.00 0.00 C ATOM 198 C GLN A 16 10.165 1.485 -5.181 1.00 0.00 C ATOM 199 O GLN A 16 9.659 1.736 -6.274 1.00 0.00 O ATOM 200 CB GLN A 16 12.497 1.859 -4.354 1.00 0.00 C ATOM 201 CG GLN A 16 13.517 2.799 -3.733 1.00 0.00 C ATOM 202 CD GLN A 16 13.983 3.873 -4.696 1.00 0.00 C ATOM 203 OE1 GLN A 16 14.974 3.700 -5.405 1.00 0.00 O ATOM 204 NE2 GLN A 16 13.268 4.992 -4.726 1.00 0.00 N ATOM 0 H GLN A 16 11.232 2.747 -2.434 1.00 0.00 H new ATOM 0 HA GLN A 16 11.183 3.364 -5.144 1.00 0.00 H new ATOM 0 HB2 GLN A 16 12.418 0.964 -3.737 1.00 0.00 H new ATOM 0 HB3 GLN A 16 12.857 1.541 -5.333 1.00 0.00 H new ATOM 0 HG2 GLN A 16 13.082 3.270 -2.852 1.00 0.00 H new ATOM 0 HG3 GLN A 16 14.378 2.222 -3.394 1.00 0.00 H new ATOM 0 HE21 GLN A 16 12.453 5.093 -4.121 1.00 0.00 H new ATOM 0 HE22 GLN A 16 13.534 5.750 -5.354 1.00 0.00 H new ATOM 213 N TRP A 17 9.936 0.358 -4.518 1.00 0.00 N ATOM 214 CA TRP A 17 9.054 -0.675 -5.050 1.00 0.00 C ATOM 215 C TRP A 17 7.796 -0.060 -5.652 1.00 0.00 C ATOM 216 O TRP A 17 7.387 -0.414 -6.758 1.00 0.00 O ATOM 217 CB TRP A 17 8.675 -1.668 -3.950 1.00 0.00 C ATOM 218 CG TRP A 17 7.900 -2.847 -4.455 1.00 0.00 C ATOM 219 CD1 TRP A 17 8.344 -3.816 -5.309 1.00 0.00 C ATOM 220 CD2 TRP A 17 6.544 -3.179 -4.138 1.00 0.00 C ATOM 221 NE1 TRP A 17 7.346 -4.730 -5.542 1.00 0.00 N ATOM 222 CE2 TRP A 17 6.232 -4.363 -4.835 1.00 0.00 C ATOM 223 CE3 TRP A 17 5.563 -2.594 -3.333 1.00 0.00 C ATOM 224 CZ2 TRP A 17 4.981 -4.969 -4.750 1.00 0.00 C ATOM 225 CZ3 TRP A 17 4.322 -3.196 -3.250 1.00 0.00 C ATOM 226 CH2 TRP A 17 4.040 -4.374 -3.954 1.00 0.00 C ATOM 0 H TRP A 17 10.348 0.136 -3.612 1.00 0.00 H new ATOM 0 HA TRP A 17 9.590 -1.204 -5.838 1.00 0.00 H new ATOM 0 HB2 TRP A 17 9.583 -2.022 -3.461 1.00 0.00 H new ATOM 0 HB3 TRP A 17 8.085 -1.152 -3.192 1.00 0.00 H new ATOM 0 HD1 TRP A 17 9.334 -3.857 -5.738 1.00 0.00 H new ATOM 0 HE1 TRP A 17 7.422 -5.550 -6.144 1.00 0.00 H new ATOM 0 HE3 TRP A 17 5.771 -1.687 -2.785 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 4.761 -5.876 -5.293 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 3.556 -2.751 -2.632 1.00 0.00 H new ATOM 0 HH2 TRP A 17 3.061 -4.821 -3.867 1.00 0.00 H new ATOM 237 N LEU A 18 7.184 0.863 -4.917 1.00 0.00 N ATOM 238 CA LEU A 18 5.971 1.529 -5.379 1.00 0.00 C ATOM 239 C LEU A 18 6.200 2.204 -6.728 1.00 0.00 C ATOM 240 O LEU A 18 5.473 1.954 -7.690 1.00 0.00 O ATOM 241 CB LEU A 18 5.510 2.562 -4.351 1.00 0.00 C ATOM 242 CG LEU A 18 4.970 2.004 -3.034 1.00 0.00 C ATOM 243 CD1 LEU A 18 5.139 3.019 -1.914 1.00 0.00 C ATOM 244 CD2 LEU A 18 3.507 1.609 -3.181 1.00 0.00 C ATOM 0 H LEU A 18 7.508 1.167 -3.999 1.00 0.00 H new ATOM 0 HA LEU A 18 5.195 0.773 -5.499 1.00 0.00 H new ATOM 0 HB2 LEU A 18 6.349 3.221 -4.126 1.00 0.00 H new ATOM 0 HB3 LEU A 18 4.734 3.177 -4.807 1.00 0.00 H new ATOM 0 HG LEU A 18 5.543 1.113 -2.778 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.749 2.604 -0.985 1.00 0.00 H new ATOM 0 HD12 LEU A 18 6.197 3.253 -1.791 1.00 0.00 H new ATOM 0 HD13 LEU A 18 4.593 3.929 -2.162 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.140 1.214 -2.234 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.920 2.484 -3.461 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.412 0.846 -3.954 1.00 0.00 H new ATOM 256 N ILE A 19 7.216 3.058 -6.791 1.00 0.00 N ATOM 257 CA ILE A 19 7.543 3.766 -8.023 1.00 0.00 C ATOM 258 C ILE A 19 7.711 2.795 -9.187 1.00 0.00 C ATOM 259 O ILE A 19 7.234 3.047 -10.294 1.00 0.00 O ATOM 260 CB ILE A 19 8.831 4.596 -7.870 1.00 0.00 C ATOM 261 CG1 ILE A 19 8.692 5.585 -6.712 1.00 0.00 C ATOM 262 CG2 ILE A 19 9.145 5.329 -9.166 1.00 0.00 C ATOM 263 CD1 ILE A 19 9.984 6.289 -6.360 1.00 0.00 C ATOM 0 H ILE A 19 7.827 3.276 -6.004 1.00 0.00 H new ATOM 0 HA ILE A 19 6.711 4.438 -8.232 1.00 0.00 H new ATOM 0 HB ILE A 19 9.657 3.921 -7.648 1.00 0.00 H new ATOM 0 HG12 ILE A 19 7.940 6.331 -6.970 1.00 0.00 H new ATOM 0 HG13 ILE A 19 8.326 5.054 -5.833 1.00 0.00 H new ATOM 0 HG21 ILE A 19 10.058 5.911 -9.043 1.00 0.00 H new ATOM 0 HG22 ILE A 19 9.282 4.605 -9.969 1.00 0.00 H new ATOM 0 HG23 ILE A 19 8.320 5.996 -9.416 1.00 0.00 H new ATOM 0 HD11 ILE A 19 9.810 6.975 -5.531 1.00 0.00 H new ATOM 0 HD12 ILE A 19 10.733 5.552 -6.070 1.00 0.00 H new ATOM 0 HD13 ILE A 19 10.341 6.848 -7.225 1.00 0.00 H new ATOM 275 N HIS A 20 8.392 1.683 -8.929 1.00 0.00 N ATOM 276 CA HIS A 20 8.622 0.672 -9.955 1.00 0.00 C ATOM 277 C HIS A 20 7.342 -0.106 -10.247 1.00 0.00 C ATOM 278 O HIS A 20 7.137 -0.584 -11.363 1.00 0.00 O ATOM 279 CB HIS A 20 9.727 -0.289 -9.515 1.00 0.00 C ATOM 280 CG HIS A 20 11.103 0.171 -9.889 1.00 0.00 C ATOM 281 ND1 HIS A 20 11.730 -0.203 -11.059 1.00 0.00 N ATOM 282 CD2 HIS A 20 11.973 0.979 -9.239 1.00 0.00 C ATOM 283 CE1 HIS A 20 12.926 0.354 -11.112 1.00 0.00 C ATOM 284 NE2 HIS A 20 13.098 1.077 -10.021 1.00 0.00 N ATOM 0 H HIS A 20 8.794 1.459 -8.019 1.00 0.00 H new ATOM 0 HA HIS A 20 8.934 1.180 -10.867 1.00 0.00 H new ATOM 0 HB2 HIS A 20 9.677 -0.417 -8.434 1.00 0.00 H new ATOM 0 HB3 HIS A 20 9.546 -1.267 -9.961 1.00 0.00 H new ATOM 0 HD2 HIS A 20 11.813 1.457 -8.284 1.00 0.00 H new ATOM 0 HE1 HIS A 20 13.642 0.238 -11.912 1.00 0.00 H new ATOM 0 HE2 HIS A 20 13.931 1.620 -9.795 1.00 0.00 H new ATOM 293 N CYS A 21 6.487 -0.229 -9.238 1.00 0.00 N ATOM 294 CA CYS A 21 5.228 -0.951 -9.387 1.00 0.00 C ATOM 295 C CYS A 21 4.248 -0.162 -10.248 1.00 0.00 C ATOM 296 O CYS A 21 3.117 -0.592 -10.475 1.00 0.00 O ATOM 297 CB CYS A 21 4.611 -1.229 -8.015 1.00 0.00 C ATOM 298 SG CYS A 21 5.483 -2.489 -7.056 1.00 0.00 S ATOM 0 H CYS A 21 6.642 0.161 -8.309 1.00 0.00 H new ATOM 0 HA CYS A 21 5.437 -1.899 -9.883 1.00 0.00 H new ATOM 0 HB2 CYS A 21 4.591 -0.301 -7.443 1.00 0.00 H new ATOM 0 HB3 CYS A 21 3.576 -1.542 -8.151 1.00 0.00 H new ATOM 0 HG CYS A 21 6.602 -1.999 -6.612 1.00 0.00 H new ATOM 304 N LYS A 22 4.688 0.998 -10.725 1.00 0.00 N ATOM 305 CA LYS A 22 3.851 1.849 -11.562 1.00 0.00 C ATOM 306 C LYS A 22 2.678 2.411 -10.764 1.00 0.00 C ATOM 307 O LYS A 22 1.536 2.391 -11.223 1.00 0.00 O ATOM 308 CB LYS A 22 3.330 1.062 -12.767 1.00 0.00 C ATOM 309 CG LYS A 22 4.425 0.367 -13.558 1.00 0.00 C ATOM 310 CD LYS A 22 5.204 1.351 -14.415 1.00 0.00 C ATOM 311 CE LYS A 22 5.798 0.674 -15.640 1.00 0.00 C ATOM 312 NZ LYS A 22 4.860 0.698 -16.796 1.00 0.00 N ATOM 0 H LYS A 22 5.621 1.370 -10.546 1.00 0.00 H new ATOM 0 HA LYS A 22 4.461 2.681 -11.915 1.00 0.00 H new ATOM 0 HB2 LYS A 22 2.614 0.317 -12.422 1.00 0.00 H new ATOM 0 HB3 LYS A 22 2.790 1.740 -13.428 1.00 0.00 H new ATOM 0 HG2 LYS A 22 5.106 -0.138 -12.873 1.00 0.00 H new ATOM 0 HG3 LYS A 22 3.984 -0.401 -14.194 1.00 0.00 H new ATOM 0 HD2 LYS A 22 4.547 2.162 -14.729 1.00 0.00 H new ATOM 0 HD3 LYS A 22 6.002 1.799 -13.823 1.00 0.00 H new ATOM 0 HE2 LYS A 22 6.727 1.173 -15.916 1.00 0.00 H new ATOM 0 HE3 LYS A 22 6.050 -0.359 -15.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 5.302 0.227 -17.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 3.983 0.200 -16.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 4.639 1.684 -17.044 1.00 0.00 H new ATOM 326 N VAL A 23 2.969 2.914 -9.569 1.00 0.00 N ATOM 327 CA VAL A 23 1.939 3.485 -8.709 1.00 0.00 C ATOM 328 C VAL A 23 2.274 4.923 -8.330 1.00 0.00 C ATOM 329 O VAL A 23 1.382 5.742 -8.107 1.00 0.00 O ATOM 330 CB VAL A 23 1.758 2.656 -7.423 1.00 0.00 C ATOM 331 CG1 VAL A 23 1.315 1.240 -7.759 1.00 0.00 C ATOM 332 CG2 VAL A 23 3.046 2.642 -6.613 1.00 0.00 C ATOM 0 H VAL A 23 3.909 2.938 -9.174 1.00 0.00 H new ATOM 0 HA VAL A 23 1.009 3.469 -9.277 1.00 0.00 H new ATOM 0 HB VAL A 23 0.980 3.121 -6.818 1.00 0.00 H new ATOM 0 HG11 VAL A 23 1.192 0.669 -6.839 1.00 0.00 H new ATOM 0 HG12 VAL A 23 0.366 1.273 -8.295 1.00 0.00 H new ATOM 0 HG13 VAL A 23 2.069 0.762 -8.385 1.00 0.00 H new ATOM 0 HG21 VAL A 23 2.900 2.052 -5.708 1.00 0.00 H new ATOM 0 HG22 VAL A 23 3.846 2.201 -7.209 1.00 0.00 H new ATOM 0 HG23 VAL A 23 3.316 3.662 -6.341 1.00 0.00 H new ATOM 342 N LEU A 24 3.566 5.224 -8.258 1.00 0.00 N ATOM 343 CA LEU A 24 4.021 6.565 -7.907 1.00 0.00 C ATOM 344 C LEU A 24 5.107 7.041 -8.866 1.00 0.00 C ATOM 345 O LEU A 24 5.866 6.249 -9.425 1.00 0.00 O ATOM 346 CB LEU A 24 4.548 6.586 -6.471 1.00 0.00 C ATOM 347 CG LEU A 24 3.538 6.226 -5.380 1.00 0.00 C ATOM 348 CD1 LEU A 24 4.249 5.954 -4.063 1.00 0.00 C ATOM 349 CD2 LEU A 24 2.512 7.338 -5.215 1.00 0.00 C ATOM 0 H LEU A 24 4.317 4.558 -8.438 1.00 0.00 H new ATOM 0 HA LEU A 24 3.171 7.242 -7.986 1.00 0.00 H new ATOM 0 HB2 LEU A 24 5.388 5.894 -6.403 1.00 0.00 H new ATOM 0 HB3 LEU A 24 4.938 7.582 -6.263 1.00 0.00 H new ATOM 0 HG LEU A 24 3.015 5.318 -5.681 1.00 0.00 H new ATOM 0 HD11 LEU A 24 3.515 5.700 -3.299 1.00 0.00 H new ATOM 0 HD12 LEU A 24 4.944 5.124 -4.189 1.00 0.00 H new ATOM 0 HD13 LEU A 24 4.799 6.844 -3.756 1.00 0.00 H new ATOM 0 HD21 LEU A 24 1.802 7.065 -4.435 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.019 8.262 -4.937 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.980 7.485 -6.155 1.00 0.00 H new ATOM 361 N PRO A 25 5.187 8.366 -9.060 1.00 0.00 N ATOM 362 CA PRO A 25 6.179 8.977 -9.949 1.00 0.00 C ATOM 363 C PRO A 25 7.595 8.875 -9.395 1.00 0.00 C ATOM 364 O PRO A 25 7.792 8.654 -8.199 1.00 0.00 O ATOM 365 CB PRO A 25 5.737 10.441 -10.020 1.00 0.00 C ATOM 366 CG PRO A 25 4.988 10.673 -8.753 1.00 0.00 C ATOM 367 CD PRO A 25 4.315 9.369 -8.426 1.00 0.00 C ATOM 0 HA PRO A 25 6.217 8.481 -10.919 1.00 0.00 H new ATOM 0 HB2 PRO A 25 6.594 11.110 -10.101 1.00 0.00 H new ATOM 0 HB3 PRO A 25 5.107 10.623 -10.891 1.00 0.00 H new ATOM 0 HG2 PRO A 25 5.661 10.977 -7.951 1.00 0.00 H new ATOM 0 HG3 PRO A 25 4.255 11.471 -8.873 1.00 0.00 H new ATOM 0 HD2 PRO A 25 4.241 9.214 -7.350 1.00 0.00 H new ATOM 0 HD3 PRO A 25 3.301 9.329 -8.824 1.00 0.00 H new ATOM 375 N THR A 26 8.582 9.036 -10.271 1.00 0.00 N ATOM 376 CA THR A 26 9.981 8.961 -9.870 1.00 0.00 C ATOM 377 C THR A 26 10.372 10.159 -9.012 1.00 0.00 C ATOM 378 O THR A 26 11.244 10.059 -8.150 1.00 0.00 O ATOM 379 CB THR A 26 10.914 8.894 -11.093 1.00 0.00 C ATOM 380 OG1 THR A 26 10.781 10.085 -11.877 1.00 0.00 O ATOM 381 CG2 THR A 26 10.595 7.678 -11.951 1.00 0.00 C ATOM 0 H THR A 26 8.438 9.219 -11.264 1.00 0.00 H new ATOM 0 HA THR A 26 10.093 8.047 -9.287 1.00 0.00 H new ATOM 0 HB THR A 26 11.940 8.808 -10.735 1.00 0.00 H new ATOM 0 HG1 THR A 26 11.222 10.830 -11.418 1.00 0.00 H new ATOM 0 HG21 THR A 26 11.267 7.652 -12.809 1.00 0.00 H new ATOM 0 HG22 THR A 26 10.725 6.771 -11.360 1.00 0.00 H new ATOM 0 HG23 THR A 26 9.564 7.739 -12.299 1.00 0.00 H new ATOM 389 N ASN A 27 9.721 11.292 -9.254 1.00 0.00 N ATOM 390 CA ASN A 27 10.001 12.511 -8.503 1.00 0.00 C ATOM 391 C ASN A 27 8.875 12.814 -7.519 1.00 0.00 C ATOM 392 O ASN A 27 8.648 13.968 -7.155 1.00 0.00 O ATOM 393 CB ASN A 27 10.190 13.691 -9.458 1.00 0.00 C ATOM 394 CG ASN A 27 11.450 13.563 -10.293 1.00 0.00 C ATOM 395 OD1 ASN A 27 11.436 12.968 -11.371 1.00 0.00 O ATOM 396 ND2 ASN A 27 12.548 14.122 -9.797 1.00 0.00 N ATOM 0 H ASN A 27 8.996 11.392 -9.964 1.00 0.00 H new ATOM 0 HA ASN A 27 10.921 12.358 -7.939 1.00 0.00 H new ATOM 0 HB2 ASN A 27 9.326 13.763 -10.118 1.00 0.00 H new ATOM 0 HB3 ASN A 27 10.230 14.617 -8.884 1.00 0.00 H new ATOM 0 HD21 ASN A 27 13.426 14.068 -10.314 1.00 0.00 H new ATOM 0 HD22 ASN A 27 12.513 14.605 -8.899 1.00 0.00 H new ATOM 403 N HIS A 28 8.173 11.769 -7.092 1.00 0.00 N ATOM 404 CA HIS A 28 7.071 11.923 -6.148 1.00 0.00 C ATOM 405 C HIS A 28 7.520 12.692 -4.910 1.00 0.00 C ATOM 406 O HIS A 28 8.656 13.160 -4.835 1.00 0.00 O ATOM 407 CB HIS A 28 6.524 10.555 -5.743 1.00 0.00 C ATOM 408 CG HIS A 28 5.084 10.583 -5.330 1.00 0.00 C ATOM 409 ND1 HIS A 28 4.009 11.165 -5.910 1.00 0.00 N flip ATOM 410 CD2 HIS A 28 4.615 9.962 -4.192 1.00 0.00 C flip ATOM 411 CE1 HIS A 28 2.920 10.886 -5.121 1.00 0.00 C flip ATOM 412 NE2 HIS A 28 3.313 10.158 -4.091 1.00 0.00 N flip ATOM 0 H HIS A 28 8.347 10.807 -7.384 1.00 0.00 H new ATOM 0 HA HIS A 28 6.281 12.490 -6.639 1.00 0.00 H new ATOM 0 HB2 HIS A 28 6.640 9.865 -6.578 1.00 0.00 H new ATOM 0 HB3 HIS A 28 7.122 10.163 -4.920 1.00 0.00 H new ATOM 0 HD2 HIS A 28 5.218 9.403 -3.492 1.00 0.00 H new ATOM 0 HE1 HIS A 28 1.907 11.209 -5.312 1.00 0.00 H new ATOM 0 HE2 HIS A 28 2.713 9.807 -3.345 1.00 0.00 H new ATOM 421 N ARG A 29 6.620 12.821 -3.940 1.00 0.00 N ATOM 422 CA ARG A 29 6.923 13.535 -2.706 1.00 0.00 C ATOM 423 C ARG A 29 7.536 12.596 -1.671 1.00 0.00 C ATOM 424 O ARG A 29 8.390 12.998 -0.881 1.00 0.00 O ATOM 425 CB ARG A 29 5.656 14.177 -2.139 1.00 0.00 C ATOM 426 CG ARG A 29 4.575 13.173 -1.774 1.00 0.00 C ATOM 427 CD ARG A 29 3.211 13.837 -1.668 1.00 0.00 C ATOM 428 NE ARG A 29 3.125 14.731 -0.516 1.00 0.00 N ATOM 429 CZ ARG A 29 2.266 15.740 -0.431 1.00 0.00 C ATOM 430 NH1 ARG A 29 1.422 15.982 -1.424 1.00 0.00 N ATOM 431 NH2 ARG A 29 2.249 16.510 0.650 1.00 0.00 N ATOM 0 H ARG A 29 5.675 12.440 -3.985 1.00 0.00 H new ATOM 0 HA ARG A 29 7.647 14.317 -2.937 1.00 0.00 H new ATOM 0 HB2 ARG A 29 5.917 14.755 -1.253 1.00 0.00 H new ATOM 0 HB3 ARG A 29 5.256 14.879 -2.871 1.00 0.00 H new ATOM 0 HG2 ARG A 29 4.540 12.385 -2.526 1.00 0.00 H new ATOM 0 HG3 ARG A 29 4.824 12.697 -0.825 1.00 0.00 H new ATOM 0 HD2 ARG A 29 3.010 14.400 -2.579 1.00 0.00 H new ATOM 0 HD3 ARG A 29 2.440 13.071 -1.590 1.00 0.00 H new ATOM 0 HE ARG A 29 3.760 14.571 0.266 1.00 0.00 H new ATOM 0 HH11 ARG A 29 1.431 15.392 -2.256 1.00 0.00 H new ATOM 0 HH12 ARG A 29 0.763 16.758 -1.356 1.00 0.00 H new ATOM 0 HH21 ARG A 29 2.896 16.327 1.417 1.00 0.00 H new ATOM 0 HH22 ARG A 29 1.589 17.285 0.714 1.00 0.00 H new ATOM 445 N VAL A 30 7.095 11.342 -1.682 1.00 0.00 N ATOM 446 CA VAL A 30 7.600 10.345 -0.745 1.00 0.00 C ATOM 447 C VAL A 30 9.088 10.092 -0.962 1.00 0.00 C ATOM 448 O VAL A 30 9.758 9.495 -0.119 1.00 0.00 O ATOM 449 CB VAL A 30 6.839 9.013 -0.878 1.00 0.00 C ATOM 450 CG1 VAL A 30 5.338 9.245 -0.793 1.00 0.00 C ATOM 451 CG2 VAL A 30 7.207 8.318 -2.180 1.00 0.00 C ATOM 0 H VAL A 30 6.389 10.992 -2.330 1.00 0.00 H new ATOM 0 HA VAL A 30 7.444 10.745 0.257 1.00 0.00 H new ATOM 0 HB VAL A 30 7.129 8.364 -0.052 1.00 0.00 H new ATOM 0 HG11 VAL A 30 4.817 8.293 -0.889 1.00 0.00 H new ATOM 0 HG12 VAL A 30 5.094 9.697 0.168 1.00 0.00 H new ATOM 0 HG13 VAL A 30 5.027 9.912 -1.597 1.00 0.00 H new ATOM 0 HG21 VAL A 30 6.660 7.378 -2.258 1.00 0.00 H new ATOM 0 HG22 VAL A 30 6.947 8.960 -3.021 1.00 0.00 H new ATOM 0 HG23 VAL A 30 8.278 8.117 -2.195 1.00 0.00 H new ATOM 461 N THR A 31 9.601 10.551 -2.100 1.00 0.00 N ATOM 462 CA THR A 31 11.010 10.374 -2.429 1.00 0.00 C ATOM 463 C THR A 31 11.868 11.444 -1.765 1.00 0.00 C ATOM 464 O THR A 31 13.028 11.203 -1.430 1.00 0.00 O ATOM 465 CB THR A 31 11.241 10.418 -3.952 1.00 0.00 C ATOM 466 OG1 THR A 31 10.965 11.731 -4.451 1.00 0.00 O ATOM 467 CG2 THR A 31 10.357 9.403 -4.662 1.00 0.00 C ATOM 0 H THR A 31 9.062 11.048 -2.809 1.00 0.00 H new ATOM 0 HA THR A 31 11.302 9.393 -2.053 1.00 0.00 H new ATOM 0 HB THR A 31 12.284 10.168 -4.147 1.00 0.00 H new ATOM 0 HG1 THR A 31 9.997 11.883 -4.454 1.00 0.00 H new ATOM 0 HG21 THR A 31 10.537 9.452 -5.736 1.00 0.00 H new ATOM 0 HG22 THR A 31 10.590 8.402 -4.300 1.00 0.00 H new ATOM 0 HG23 THR A 31 9.310 9.628 -4.459 1.00 0.00 H new ATOM 475 N TRP A 32 11.292 12.626 -1.578 1.00 0.00 N ATOM 476 CA TRP A 32 12.006 13.734 -0.953 1.00 0.00 C ATOM 477 C TRP A 32 12.515 13.342 0.430 1.00 0.00 C ATOM 478 O TRP A 32 11.763 12.820 1.253 1.00 0.00 O ATOM 479 CB TRP A 32 11.096 14.958 -0.847 1.00 0.00 C ATOM 480 CG TRP A 32 11.028 15.760 -2.111 1.00 0.00 C ATOM 481 CD1 TRP A 32 10.670 15.308 -3.350 1.00 0.00 C ATOM 482 CD2 TRP A 32 11.329 17.152 -2.261 1.00 0.00 C ATOM 483 NE1 TRP A 32 10.730 16.336 -4.260 1.00 0.00 N ATOM 484 CE2 TRP A 32 11.131 17.477 -3.617 1.00 0.00 C ATOM 485 CE3 TRP A 32 11.744 18.155 -1.381 1.00 0.00 C ATOM 486 CZ2 TRP A 32 11.335 18.763 -4.111 1.00 0.00 C ATOM 487 CZ3 TRP A 32 11.947 19.430 -1.874 1.00 0.00 C ATOM 488 CH2 TRP A 32 11.742 19.725 -3.228 1.00 0.00 C ATOM 0 H TRP A 32 10.333 12.842 -1.850 1.00 0.00 H new ATOM 0 HA TRP A 32 12.864 13.981 -1.579 1.00 0.00 H new ATOM 0 HB2 TRP A 32 10.091 14.632 -0.578 1.00 0.00 H new ATOM 0 HB3 TRP A 32 11.451 15.597 -0.039 1.00 0.00 H new ATOM 0 HD1 TRP A 32 10.382 14.293 -3.580 1.00 0.00 H new ATOM 0 HE1 TRP A 32 10.511 16.261 -5.253 1.00 0.00 H new ATOM 0 HE3 TRP A 32 11.903 17.938 -0.335 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 11.177 18.993 -5.154 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 12.269 20.213 -1.203 1.00 0.00 H new ATOM 0 HH2 TRP A 32 11.909 20.732 -3.582 1.00 0.00 H new ATOM 499 N ASP A 33 13.795 13.597 0.678 1.00 0.00 N ATOM 500 CA ASP A 33 14.404 13.272 1.963 1.00 0.00 C ATOM 501 C ASP A 33 13.527 13.749 3.116 1.00 0.00 C ATOM 502 O ASP A 33 13.356 13.045 4.111 1.00 0.00 O ATOM 503 CB ASP A 33 15.793 13.904 2.067 1.00 0.00 C ATOM 504 CG ASP A 33 16.660 13.226 3.110 1.00 0.00 C ATOM 505 OD1 ASP A 33 16.708 11.978 3.122 1.00 0.00 O ATOM 506 OD2 ASP A 33 17.292 13.944 3.913 1.00 0.00 O ATOM 0 H ASP A 33 14.431 14.028 0.007 1.00 0.00 H new ATOM 0 HA ASP A 33 14.500 12.188 2.028 1.00 0.00 H new ATOM 0 HB2 ASP A 33 16.287 13.850 1.097 1.00 0.00 H new ATOM 0 HB3 ASP A 33 15.691 14.961 2.315 1.00 0.00 H new ATOM 511 N SER A 34 12.975 14.950 2.976 1.00 0.00 N ATOM 512 CA SER A 34 12.119 15.524 4.008 1.00 0.00 C ATOM 513 C SER A 34 10.912 14.630 4.272 1.00 0.00 C ATOM 514 O SER A 34 10.472 14.482 5.412 1.00 0.00 O ATOM 515 CB SER A 34 11.653 16.921 3.595 1.00 0.00 C ATOM 516 OG SER A 34 10.711 16.853 2.539 1.00 0.00 O ATOM 0 H SER A 34 13.105 15.545 2.158 1.00 0.00 H new ATOM 0 HA SER A 34 12.701 15.600 4.927 1.00 0.00 H new ATOM 0 HB2 SER A 34 11.208 17.427 4.452 1.00 0.00 H new ATOM 0 HB3 SER A 34 12.511 17.517 3.283 1.00 0.00 H new ATOM 0 HG SER A 34 10.428 17.759 2.295 1.00 0.00 H new ATOM 522 N ALA A 35 10.380 14.035 3.209 1.00 0.00 N ATOM 523 CA ALA A 35 9.225 13.153 3.324 1.00 0.00 C ATOM 524 C ALA A 35 9.371 12.211 4.514 1.00 0.00 C ATOM 525 O ALA A 35 10.475 11.987 5.008 1.00 0.00 O ATOM 526 CB ALA A 35 9.037 12.360 2.040 1.00 0.00 C ATOM 0 H ALA A 35 10.731 14.148 2.258 1.00 0.00 H new ATOM 0 HA ALA A 35 8.342 13.770 3.489 1.00 0.00 H new ATOM 0 HB1 ALA A 35 8.171 11.706 2.140 1.00 0.00 H new ATOM 0 HB2 ALA A 35 8.879 13.046 1.208 1.00 0.00 H new ATOM 0 HB3 ALA A 35 9.926 11.759 1.850 1.00 0.00 H new ATOM 532 N GLN A 36 8.249 11.662 4.969 1.00 0.00 N ATOM 533 CA GLN A 36 8.253 10.745 6.102 1.00 0.00 C ATOM 534 C GLN A 36 7.169 9.683 5.947 1.00 0.00 C ATOM 535 O GLN A 36 6.217 9.859 5.187 1.00 0.00 O ATOM 536 CB GLN A 36 8.046 11.514 7.409 1.00 0.00 C ATOM 537 CG GLN A 36 9.160 12.502 7.716 1.00 0.00 C ATOM 538 CD GLN A 36 8.776 13.498 8.792 1.00 0.00 C ATOM 539 OE1 GLN A 36 7.869 13.252 9.587 1.00 0.00 O ATOM 540 NE2 GLN A 36 9.466 14.632 8.822 1.00 0.00 N ATOM 0 H GLN A 36 7.326 11.836 4.570 1.00 0.00 H new ATOM 0 HA GLN A 36 9.222 10.248 6.131 1.00 0.00 H new ATOM 0 HB2 GLN A 36 7.099 12.051 7.359 1.00 0.00 H new ATOM 0 HB3 GLN A 36 7.966 10.802 8.231 1.00 0.00 H new ATOM 0 HG2 GLN A 36 10.048 11.955 8.033 1.00 0.00 H new ATOM 0 HG3 GLN A 36 9.424 13.040 6.806 1.00 0.00 H new ATOM 0 HE21 GLN A 36 10.210 14.794 8.143 1.00 0.00 H new ATOM 0 HE22 GLN A 36 9.252 15.341 9.524 1.00 0.00 H new ATOM 549 N VAL A 37 7.320 8.579 6.672 1.00 0.00 N ATOM 550 CA VAL A 37 6.354 7.489 6.616 1.00 0.00 C ATOM 551 C VAL A 37 4.939 8.018 6.418 1.00 0.00 C ATOM 552 O VAL A 37 4.186 7.513 5.585 1.00 0.00 O ATOM 553 CB VAL A 37 6.397 6.634 7.896 1.00 0.00 C ATOM 554 CG1 VAL A 37 7.565 5.661 7.851 1.00 0.00 C ATOM 555 CG2 VAL A 37 6.481 7.524 9.127 1.00 0.00 C ATOM 0 H VAL A 37 8.103 8.416 7.305 1.00 0.00 H new ATOM 0 HA VAL A 37 6.628 6.867 5.764 1.00 0.00 H new ATOM 0 HB VAL A 37 5.476 6.054 7.956 1.00 0.00 H new ATOM 0 HG11 VAL A 37 7.578 5.066 8.764 1.00 0.00 H new ATOM 0 HG12 VAL A 37 7.456 5.002 6.990 1.00 0.00 H new ATOM 0 HG13 VAL A 37 8.499 6.217 7.767 1.00 0.00 H new ATOM 0 HG21 VAL A 37 6.511 6.904 10.023 1.00 0.00 H new ATOM 0 HG22 VAL A 37 7.385 8.131 9.076 1.00 0.00 H new ATOM 0 HG23 VAL A 37 5.608 8.175 9.165 1.00 0.00 H new ATOM 565 N PHE A 38 4.582 9.040 7.189 1.00 0.00 N ATOM 566 CA PHE A 38 3.255 9.639 7.099 1.00 0.00 C ATOM 567 C PHE A 38 2.910 9.982 5.653 1.00 0.00 C ATOM 568 O PHE A 38 1.930 9.480 5.102 1.00 0.00 O ATOM 569 CB PHE A 38 3.182 10.899 7.964 1.00 0.00 C ATOM 570 CG PHE A 38 1.801 11.194 8.478 1.00 0.00 C ATOM 571 CD1 PHE A 38 0.685 10.897 7.712 1.00 0.00 C ATOM 572 CD2 PHE A 38 1.619 11.766 9.727 1.00 0.00 C ATOM 573 CE1 PHE A 38 -0.586 11.168 8.182 1.00 0.00 C ATOM 574 CE2 PHE A 38 0.351 12.038 10.202 1.00 0.00 C ATOM 575 CZ PHE A 38 -0.754 11.738 9.429 1.00 0.00 C ATOM 0 H PHE A 38 5.193 9.471 7.883 1.00 0.00 H new ATOM 0 HA PHE A 38 2.530 8.912 7.465 1.00 0.00 H new ATOM 0 HB2 PHE A 38 3.860 10.789 8.810 1.00 0.00 H new ATOM 0 HB3 PHE A 38 3.534 11.751 7.382 1.00 0.00 H new ATOM 0 HD1 PHE A 38 0.810 10.449 6.737 1.00 0.00 H new ATOM 0 HD2 PHE A 38 2.479 12.002 10.336 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -1.448 10.934 7.574 1.00 0.00 H new ATOM 0 HE2 PHE A 38 0.223 12.485 11.177 1.00 0.00 H new ATOM 0 HZ PHE A 38 -1.747 11.949 9.799 1.00 0.00 H new ATOM 585 N ASP A 39 3.721 10.840 5.044 1.00 0.00 N ATOM 586 CA ASP A 39 3.503 11.250 3.662 1.00 0.00 C ATOM 587 C ASP A 39 3.079 10.062 2.803 1.00 0.00 C ATOM 588 O ASP A 39 2.014 10.078 2.185 1.00 0.00 O ATOM 589 CB ASP A 39 4.772 11.882 3.089 1.00 0.00 C ATOM 590 CG ASP A 39 4.957 13.319 3.536 1.00 0.00 C ATOM 591 OD1 ASP A 39 4.019 14.123 3.351 1.00 0.00 O ATOM 592 OD2 ASP A 39 6.038 13.638 4.073 1.00 0.00 O ATOM 0 H ASP A 39 4.536 11.265 5.486 1.00 0.00 H new ATOM 0 HA ASP A 39 2.701 11.988 3.650 1.00 0.00 H new ATOM 0 HB2 ASP A 39 5.637 11.295 3.397 1.00 0.00 H new ATOM 0 HB3 ASP A 39 4.733 11.846 2.000 1.00 0.00 H new ATOM 597 N LEU A 40 3.919 9.034 2.769 1.00 0.00 N ATOM 598 CA LEU A 40 3.633 7.837 1.985 1.00 0.00 C ATOM 599 C LEU A 40 2.383 7.133 2.504 1.00 0.00 C ATOM 600 O LEU A 40 1.692 6.442 1.756 1.00 0.00 O ATOM 601 CB LEU A 40 4.825 6.880 2.024 1.00 0.00 C ATOM 602 CG LEU A 40 4.563 5.460 1.521 1.00 0.00 C ATOM 603 CD1 LEU A 40 4.210 5.475 0.041 1.00 0.00 C ATOM 604 CD2 LEU A 40 5.773 4.573 1.774 1.00 0.00 C ATOM 0 H LEU A 40 4.804 9.005 3.275 1.00 0.00 H new ATOM 0 HA LEU A 40 3.455 8.142 0.954 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.631 7.311 1.430 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.183 6.820 3.052 1.00 0.00 H new ATOM 0 HG LEU A 40 3.716 5.050 2.071 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.027 4.456 -0.300 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.314 6.076 -0.113 1.00 0.00 H new ATOM 0 HD13 LEU A 40 5.036 5.904 -0.526 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.569 3.566 1.410 1.00 0.00 H new ATOM 0 HD22 LEU A 40 6.638 4.980 1.250 1.00 0.00 H new ATOM 0 HD23 LEU A 40 5.980 4.537 2.843 1.00 0.00 H new ATOM 616 N ALA A 41 2.099 7.314 3.790 1.00 0.00 N ATOM 617 CA ALA A 41 0.931 6.699 4.408 1.00 0.00 C ATOM 618 C ALA A 41 -0.347 7.436 4.020 1.00 0.00 C ATOM 619 O ALA A 41 -1.427 6.848 3.988 1.00 0.00 O ATOM 620 CB ALA A 41 1.088 6.671 5.921 1.00 0.00 C ATOM 0 H ALA A 41 2.662 7.881 4.424 1.00 0.00 H new ATOM 0 HA ALA A 41 0.854 5.675 4.043 1.00 0.00 H new ATOM 0 HB1 ALA A 41 0.208 6.209 6.370 1.00 0.00 H new ATOM 0 HB2 ALA A 41 1.975 6.094 6.184 1.00 0.00 H new ATOM 0 HB3 ALA A 41 1.193 7.689 6.295 1.00 0.00 H new ATOM 626 N GLN A 42 -0.215 8.726 3.727 1.00 0.00 N ATOM 627 CA GLN A 42 -1.361 9.542 3.343 1.00 0.00 C ATOM 628 C GLN A 42 -1.807 9.219 1.921 1.00 0.00 C ATOM 629 O GLN A 42 -2.961 8.859 1.687 1.00 0.00 O ATOM 630 CB GLN A 42 -1.016 11.028 3.457 1.00 0.00 C ATOM 631 CG GLN A 42 -0.534 11.437 4.840 1.00 0.00 C ATOM 632 CD GLN A 42 -0.834 12.888 5.157 1.00 0.00 C ATOM 633 OE1 GLN A 42 -1.946 13.368 4.935 1.00 0.00 O ATOM 634 NE2 GLN A 42 0.159 13.598 5.680 1.00 0.00 N ATOM 0 H GLN A 42 0.673 9.228 3.748 1.00 0.00 H new ATOM 0 HA GLN A 42 -2.182 9.314 4.022 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -0.244 11.270 2.726 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -1.896 11.617 3.199 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -1.006 10.800 5.588 1.00 0.00 H new ATOM 0 HG3 GLN A 42 0.541 11.268 4.911 1.00 0.00 H new ATOM 0 HE21 GLN A 42 1.065 13.161 5.848 1.00 0.00 H new ATOM 0 HE22 GLN A 42 0.015 14.580 5.914 1.00 0.00 H new ATOM 643 N THR A 43 -0.885 9.351 0.972 1.00 0.00 N ATOM 644 CA THR A 43 -1.184 9.075 -0.427 1.00 0.00 C ATOM 645 C THR A 43 -1.967 7.776 -0.576 1.00 0.00 C ATOM 646 O THR A 43 -2.646 7.561 -1.581 1.00 0.00 O ATOM 647 CB THR A 43 0.103 8.985 -1.269 1.00 0.00 C ATOM 648 OG1 THR A 43 -0.226 8.924 -2.661 1.00 0.00 O ATOM 649 CG2 THR A 43 0.919 7.761 -0.881 1.00 0.00 C ATOM 0 H THR A 43 0.075 9.647 1.148 1.00 0.00 H new ATOM 0 HA THR A 43 -1.790 9.905 -0.790 1.00 0.00 H new ATOM 0 HB THR A 43 0.700 9.876 -1.076 1.00 0.00 H new ATOM 0 HG1 THR A 43 -1.118 8.534 -2.769 1.00 0.00 H new ATOM 0 HG21 THR A 43 1.823 7.719 -1.489 1.00 0.00 H new ATOM 0 HG22 THR A 43 1.193 7.825 0.172 1.00 0.00 H new ATOM 0 HG23 THR A 43 0.327 6.861 -1.048 1.00 0.00 H new ATOM 657 N LEU A 44 -1.869 6.913 0.429 1.00 0.00 N ATOM 658 CA LEU A 44 -2.570 5.634 0.410 1.00 0.00 C ATOM 659 C LEU A 44 -3.742 5.640 1.386 1.00 0.00 C ATOM 660 O LEU A 44 -4.728 4.929 1.193 1.00 0.00 O ATOM 661 CB LEU A 44 -1.607 4.497 0.758 1.00 0.00 C ATOM 662 CG LEU A 44 -0.336 4.412 -0.087 1.00 0.00 C ATOM 663 CD1 LEU A 44 0.661 3.452 0.544 1.00 0.00 C ATOM 664 CD2 LEU A 44 -0.669 3.980 -1.508 1.00 0.00 C ATOM 0 H LEU A 44 -1.311 7.076 1.267 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.960 5.477 -0.596 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.318 4.600 1.804 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.144 3.553 0.667 1.00 0.00 H new ATOM 0 HG LEU A 44 0.119 5.402 -0.126 1.00 0.00 H new ATOM 0 HD11 LEU A 44 1.559 3.404 -0.071 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.923 3.803 1.542 1.00 0.00 H new ATOM 0 HD13 LEU A 44 0.216 2.459 0.614 1.00 0.00 H new ATOM 0 HD21 LEU A 44 0.247 3.925 -2.096 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.147 3.001 -1.488 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -1.346 4.705 -1.959 1.00 0.00 H new ATOM 676 N ARG A 45 -3.628 6.450 2.434 1.00 0.00 N ATOM 677 CA ARG A 45 -4.678 6.550 3.441 1.00 0.00 C ATOM 678 C ARG A 45 -6.052 6.644 2.784 1.00 0.00 C ATOM 679 O ARG A 45 -7.028 6.079 3.280 1.00 0.00 O ATOM 680 CB ARG A 45 -4.443 7.769 4.334 1.00 0.00 C ATOM 681 CG ARG A 45 -5.461 7.908 5.455 1.00 0.00 C ATOM 682 CD ARG A 45 -5.481 9.320 6.017 1.00 0.00 C ATOM 683 NE ARG A 45 -6.775 9.657 6.604 1.00 0.00 N ATOM 684 CZ ARG A 45 -7.088 10.870 7.047 1.00 0.00 C ATOM 685 NH1 ARG A 45 -6.205 11.856 6.969 1.00 0.00 N ATOM 686 NH2 ARG A 45 -8.286 11.098 7.569 1.00 0.00 N ATOM 0 H ARG A 45 -2.819 7.046 2.608 1.00 0.00 H new ATOM 0 HA ARG A 45 -4.647 5.649 4.054 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -3.445 7.705 4.767 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -4.467 8.669 3.720 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -6.452 7.650 5.082 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -5.226 7.202 6.251 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -4.703 9.420 6.773 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -5.247 10.029 5.223 1.00 0.00 H new ATOM 0 HE ARG A 45 -7.477 8.921 6.678 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -5.283 11.684 6.568 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -6.448 12.786 7.310 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -8.968 10.342 7.631 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -8.525 12.029 7.909 1.00 0.00 H new ATOM 700 N ASP A 46 -6.121 7.361 1.668 1.00 0.00 N ATOM 701 CA ASP A 46 -7.376 7.529 0.944 1.00 0.00 C ATOM 702 C ASP A 46 -7.948 6.177 0.529 1.00 0.00 C ATOM 703 O ASP A 46 -9.140 5.920 0.692 1.00 0.00 O ATOM 704 CB ASP A 46 -7.163 8.407 -0.290 1.00 0.00 C ATOM 705 CG ASP A 46 -5.825 8.154 -0.957 1.00 0.00 C ATOM 706 OD1 ASP A 46 -4.785 8.408 -0.315 1.00 0.00 O ATOM 707 OD2 ASP A 46 -5.818 7.704 -2.122 1.00 0.00 O ATOM 0 H ASP A 46 -5.323 7.835 1.245 1.00 0.00 H new ATOM 0 HA ASP A 46 -8.089 8.017 1.609 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -7.963 8.222 -1.006 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -7.229 9.456 -0.002 1.00 0.00 H new ATOM 712 N GLY A 47 -7.090 5.317 -0.011 1.00 0.00 N ATOM 713 CA GLY A 47 -7.530 4.003 -0.442 1.00 0.00 C ATOM 714 C GLY A 47 -7.872 3.961 -1.918 1.00 0.00 C ATOM 715 O GLY A 47 -8.666 3.129 -2.356 1.00 0.00 O ATOM 0 H GLY A 47 -6.099 5.507 -0.158 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -6.747 3.274 -0.233 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -8.404 3.707 0.139 1.00 0.00 H new ATOM 719 N VAL A 48 -7.272 4.864 -2.689 1.00 0.00 N ATOM 720 CA VAL A 48 -7.518 4.928 -4.124 1.00 0.00 C ATOM 721 C VAL A 48 -6.338 4.366 -4.910 1.00 0.00 C ATOM 722 O VAL A 48 -6.512 3.778 -5.977 1.00 0.00 O ATOM 723 CB VAL A 48 -7.786 6.373 -4.584 1.00 0.00 C ATOM 724 CG1 VAL A 48 -8.000 6.424 -6.089 1.00 0.00 C ATOM 725 CG2 VAL A 48 -8.984 6.953 -3.847 1.00 0.00 C ATOM 0 H VAL A 48 -6.612 5.561 -2.343 1.00 0.00 H new ATOM 0 HA VAL A 48 -8.403 4.322 -4.320 1.00 0.00 H new ATOM 0 HB VAL A 48 -6.912 6.980 -4.345 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -8.188 7.453 -6.395 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -7.110 6.051 -6.596 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -8.856 5.804 -6.356 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -9.159 7.975 -4.184 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -9.866 6.347 -4.053 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -8.786 6.954 -2.775 1.00 0.00 H new ATOM 735 N LEU A 49 -5.137 4.552 -4.374 1.00 0.00 N ATOM 736 CA LEU A 49 -3.926 4.063 -5.024 1.00 0.00 C ATOM 737 C LEU A 49 -3.691 2.591 -4.702 1.00 0.00 C ATOM 738 O LEU A 49 -3.524 1.767 -5.602 1.00 0.00 O ATOM 739 CB LEU A 49 -2.718 4.893 -4.585 1.00 0.00 C ATOM 740 CG LEU A 49 -1.395 4.572 -5.282 1.00 0.00 C ATOM 741 CD1 LEU A 49 -1.520 4.775 -6.784 1.00 0.00 C ATOM 742 CD2 LEU A 49 -0.273 5.432 -4.718 1.00 0.00 C ATOM 0 H LEU A 49 -4.976 5.038 -3.492 1.00 0.00 H new ATOM 0 HA LEU A 49 -4.056 4.163 -6.102 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -2.946 5.946 -4.750 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -2.582 4.761 -3.512 1.00 0.00 H new ATOM 0 HG LEU A 49 -1.153 3.526 -5.096 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -0.569 4.542 -7.263 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -2.295 4.117 -7.177 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -1.786 5.812 -6.990 1.00 0.00 H new ATOM 0 HD21 LEU A 49 0.661 5.190 -5.225 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.508 6.485 -4.873 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -0.167 5.238 -3.651 1.00 0.00 H new ATOM 754 N LEU A 50 -3.680 2.267 -3.414 1.00 0.00 N ATOM 755 CA LEU A 50 -3.468 0.893 -2.972 1.00 0.00 C ATOM 756 C LEU A 50 -4.086 -0.096 -3.955 1.00 0.00 C ATOM 757 O LEU A 50 -3.392 -0.945 -4.516 1.00 0.00 O ATOM 758 CB LEU A 50 -4.066 0.687 -1.579 1.00 0.00 C ATOM 759 CG LEU A 50 -3.129 0.955 -0.401 1.00 0.00 C ATOM 760 CD1 LEU A 50 -3.893 0.894 0.913 1.00 0.00 C ATOM 761 CD2 LEU A 50 -1.978 -0.040 -0.397 1.00 0.00 C ATOM 0 H LEU A 50 -3.815 2.937 -2.657 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.394 0.712 -2.930 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.937 1.335 -1.480 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -4.423 -0.340 -1.507 1.00 0.00 H new ATOM 0 HG LEU A 50 -2.716 1.957 -0.512 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.210 1.087 1.740 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -4.682 1.646 0.910 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.335 -0.095 1.031 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -1.322 0.166 0.448 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.373 -1.052 -0.311 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.414 0.052 -1.325 1.00 0.00 H new ATOM 773 N CYS A 51 -5.393 0.019 -4.159 1.00 0.00 N ATOM 774 CA CYS A 51 -6.105 -0.864 -5.076 1.00 0.00 C ATOM 775 C CYS A 51 -5.377 -0.962 -6.412 1.00 0.00 C ATOM 776 O CYS A 51 -5.219 -2.050 -6.965 1.00 0.00 O ATOM 777 CB CYS A 51 -7.533 -0.363 -5.295 1.00 0.00 C ATOM 778 SG CYS A 51 -8.599 -0.513 -3.842 1.00 0.00 S ATOM 0 H CYS A 51 -5.982 0.715 -3.702 1.00 0.00 H new ATOM 0 HA CYS A 51 -6.141 -1.857 -4.629 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -7.497 0.683 -5.599 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -7.980 -0.920 -6.119 1.00 0.00 H new ATOM 0 HG CYS A 51 -9.349 0.544 -3.743 1.00 0.00 H new ATOM 784 N GLN A 52 -4.937 0.182 -6.926 1.00 0.00 N ATOM 785 CA GLN A 52 -4.228 0.225 -8.199 1.00 0.00 C ATOM 786 C GLN A 52 -3.014 -0.699 -8.177 1.00 0.00 C ATOM 787 O GLN A 52 -2.800 -1.481 -9.104 1.00 0.00 O ATOM 788 CB GLN A 52 -3.788 1.656 -8.514 1.00 0.00 C ATOM 789 CG GLN A 52 -4.923 2.666 -8.462 1.00 0.00 C ATOM 790 CD GLN A 52 -4.714 3.828 -9.413 1.00 0.00 C ATOM 791 OE1 GLN A 52 -3.717 4.545 -9.326 1.00 0.00 O ATOM 792 NE2 GLN A 52 -5.656 4.021 -10.328 1.00 0.00 N ATOM 0 H GLN A 52 -5.059 1.091 -6.480 1.00 0.00 H new ATOM 0 HA GLN A 52 -4.910 -0.118 -8.977 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -3.015 1.954 -7.806 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -3.337 1.679 -9.506 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -5.861 2.166 -8.706 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -5.019 3.046 -7.445 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -6.466 3.402 -10.364 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -5.570 4.788 -10.995 1.00 0.00 H new ATOM 801 N LEU A 53 -2.223 -0.603 -7.115 1.00 0.00 N ATOM 802 CA LEU A 53 -1.030 -1.430 -6.972 1.00 0.00 C ATOM 803 C LEU A 53 -1.255 -2.817 -7.567 1.00 0.00 C ATOM 804 O LEU A 53 -0.594 -3.206 -8.531 1.00 0.00 O ATOM 805 CB LEU A 53 -0.643 -1.552 -5.497 1.00 0.00 C ATOM 806 CG LEU A 53 0.576 -2.423 -5.193 1.00 0.00 C ATOM 807 CD1 LEU A 53 1.802 -1.901 -5.927 1.00 0.00 C ATOM 808 CD2 LEU A 53 0.833 -2.477 -3.694 1.00 0.00 C ATOM 0 H LEU A 53 -2.386 0.039 -6.340 1.00 0.00 H new ATOM 0 HA LEU A 53 -0.217 -0.949 -7.516 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.456 -0.551 -5.107 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -1.496 -1.953 -4.950 1.00 0.00 H new ATOM 0 HG LEU A 53 0.371 -3.435 -5.543 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.660 -2.534 -5.698 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.617 -1.915 -7.001 1.00 0.00 H new ATOM 0 HD13 LEU A 53 2.009 -0.879 -5.608 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.704 -3.101 -3.496 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.016 -1.470 -3.320 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.037 -2.899 -3.191 1.00 0.00 H new ATOM 820 N LEU A 54 -2.192 -3.559 -6.987 1.00 0.00 N ATOM 821 CA LEU A 54 -2.507 -4.902 -7.461 1.00 0.00 C ATOM 822 C LEU A 54 -2.913 -4.880 -8.931 1.00 0.00 C ATOM 823 O LEU A 54 -2.437 -5.687 -9.728 1.00 0.00 O ATOM 824 CB LEU A 54 -3.629 -5.511 -6.619 1.00 0.00 C ATOM 825 CG LEU A 54 -3.386 -5.558 -5.110 1.00 0.00 C ATOM 826 CD1 LEU A 54 -4.642 -6.011 -4.381 1.00 0.00 C ATOM 827 CD2 LEU A 54 -2.218 -6.478 -4.786 1.00 0.00 C ATOM 0 H LEU A 54 -2.747 -3.253 -6.188 1.00 0.00 H new ATOM 0 HA LEU A 54 -1.612 -5.515 -7.360 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -4.542 -4.945 -6.802 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -3.809 -6.527 -6.970 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.136 -4.553 -4.770 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -4.450 -6.038 -3.308 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -5.454 -5.313 -4.587 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -4.923 -7.006 -4.725 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -2.060 -6.499 -3.708 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -2.439 -7.485 -5.140 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -1.318 -6.110 -5.278 1.00 0.00 H new ATOM 839 N ASN A 55 -3.794 -3.949 -9.282 1.00 0.00 N ATOM 840 CA ASN A 55 -4.263 -3.820 -10.657 1.00 0.00 C ATOM 841 C ASN A 55 -3.089 -3.689 -11.622 1.00 0.00 C ATOM 842 O ASN A 55 -3.201 -4.023 -12.801 1.00 0.00 O ATOM 843 CB ASN A 55 -5.187 -2.608 -10.792 1.00 0.00 C ATOM 844 CG ASN A 55 -6.402 -2.704 -9.890 1.00 0.00 C ATOM 845 OD1 ASN A 55 -6.601 -3.706 -9.202 1.00 0.00 O ATOM 846 ND2 ASN A 55 -7.222 -1.660 -9.889 1.00 0.00 N ATOM 0 H ASN A 55 -4.197 -3.273 -8.634 1.00 0.00 H new ATOM 0 HA ASN A 55 -4.820 -4.722 -10.910 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -4.631 -1.702 -10.552 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -5.513 -2.517 -11.828 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -8.056 -1.667 -9.302 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -7.018 -0.851 -10.475 1.00 0.00 H new ATOM 853 N ASN A 56 -1.963 -3.200 -11.113 1.00 0.00 N ATOM 854 CA ASN A 56 -0.767 -3.025 -11.929 1.00 0.00 C ATOM 855 C ASN A 56 -0.005 -4.339 -12.068 1.00 0.00 C ATOM 856 O ASN A 56 0.448 -4.695 -13.157 1.00 0.00 O ATOM 857 CB ASN A 56 0.142 -1.957 -11.317 1.00 0.00 C ATOM 858 CG ASN A 56 -0.173 -0.566 -11.831 1.00 0.00 C ATOM 859 OD1 ASN A 56 -0.214 -0.333 -13.040 1.00 0.00 O ATOM 860 ND2 ASN A 56 -0.395 0.368 -10.914 1.00 0.00 N ATOM 0 H ASN A 56 -1.854 -2.918 -10.139 1.00 0.00 H new ATOM 0 HA ASN A 56 -1.080 -2.701 -12.922 1.00 0.00 H new ATOM 0 HB2 ASN A 56 0.037 -1.973 -10.232 1.00 0.00 H new ATOM 0 HB3 ASN A 56 1.181 -2.197 -11.540 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -0.610 1.323 -11.200 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -0.351 0.130 -9.923 1.00 0.00 H new ATOM 867 N LEU A 57 0.132 -5.057 -10.958 1.00 0.00 N ATOM 868 CA LEU A 57 0.839 -6.333 -10.955 1.00 0.00 C ATOM 869 C LEU A 57 0.046 -7.396 -11.710 1.00 0.00 C ATOM 870 O LEU A 57 0.564 -8.037 -12.625 1.00 0.00 O ATOM 871 CB LEU A 57 1.093 -6.794 -9.519 1.00 0.00 C ATOM 872 CG LEU A 57 1.650 -5.737 -8.564 1.00 0.00 C ATOM 873 CD1 LEU A 57 1.787 -6.306 -7.160 1.00 0.00 C ATOM 874 CD2 LEU A 57 2.990 -5.219 -9.065 1.00 0.00 C ATOM 0 H LEU A 57 -0.237 -4.777 -10.049 1.00 0.00 H new ATOM 0 HA LEU A 57 1.795 -6.192 -11.459 1.00 0.00 H new ATOM 0 HB2 LEU A 57 0.156 -7.169 -9.108 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.788 -7.633 -9.545 1.00 0.00 H new ATOM 0 HG LEU A 57 0.951 -4.902 -8.529 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.185 -5.540 -6.494 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.809 -6.627 -6.801 1.00 0.00 H new ATOM 0 HD13 LEU A 57 2.465 -7.159 -7.178 1.00 0.00 H new ATOM 0 HD21 LEU A 57 3.371 -4.468 -8.373 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.698 -6.045 -9.130 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.862 -4.772 -10.051 1.00 0.00 H new ATOM 886 N ARG A 58 -1.211 -7.576 -11.321 1.00 0.00 N ATOM 887 CA ARG A 58 -2.075 -8.561 -11.961 1.00 0.00 C ATOM 888 C ARG A 58 -3.281 -7.886 -12.609 1.00 0.00 C ATOM 889 O ARG A 58 -3.641 -6.764 -12.256 1.00 0.00 O ATOM 890 CB ARG A 58 -2.546 -9.598 -10.940 1.00 0.00 C ATOM 891 CG ARG A 58 -2.802 -10.971 -11.540 1.00 0.00 C ATOM 892 CD ARG A 58 -3.612 -11.848 -10.598 1.00 0.00 C ATOM 893 NE ARG A 58 -4.314 -12.913 -11.310 1.00 0.00 N ATOM 894 CZ ARG A 58 -4.674 -14.061 -10.747 1.00 0.00 C ATOM 895 NH1 ARG A 58 -4.400 -14.291 -9.470 1.00 0.00 N ATOM 896 NH2 ARG A 58 -5.310 -14.981 -11.460 1.00 0.00 N ATOM 0 H ARG A 58 -1.654 -7.053 -10.566 1.00 0.00 H new ATOM 0 HA ARG A 58 -1.499 -9.062 -12.738 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -1.796 -9.688 -10.154 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -3.461 -9.241 -10.468 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -3.333 -10.863 -12.485 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -1.851 -11.455 -11.762 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -2.950 -12.286 -9.851 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -4.335 -11.233 -10.061 1.00 0.00 H new ATOM 0 HE ARG A 58 -4.540 -12.767 -12.294 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -3.912 -13.586 -8.918 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -4.677 -15.173 -9.040 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -5.523 -14.808 -12.442 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -5.586 -15.862 -11.026 1.00 0.00 H new ATOM 910 N ALA A 59 -3.900 -8.579 -13.560 1.00 0.00 N ATOM 911 CA ALA A 59 -5.065 -8.048 -14.256 1.00 0.00 C ATOM 912 C ALA A 59 -6.358 -8.517 -13.599 1.00 0.00 C ATOM 913 O ALA A 59 -6.431 -9.626 -13.069 1.00 0.00 O ATOM 914 CB ALA A 59 -5.036 -8.459 -15.721 1.00 0.00 C ATOM 0 H ALA A 59 -3.614 -9.509 -13.866 1.00 0.00 H new ATOM 0 HA ALA A 59 -5.031 -6.960 -14.194 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -5.912 -8.056 -16.229 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -4.133 -8.069 -16.190 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -5.043 -9.547 -15.794 1.00 0.00 H new ATOM 920 N HIS A 60 -7.378 -7.665 -13.635 1.00 0.00 N ATOM 921 CA HIS A 60 -8.669 -7.992 -13.042 1.00 0.00 C ATOM 922 C HIS A 60 -8.539 -8.198 -11.536 1.00 0.00 C ATOM 923 O HIS A 60 -9.306 -8.950 -10.934 1.00 0.00 O ATOM 924 CB HIS A 60 -9.249 -9.249 -13.692 1.00 0.00 C ATOM 925 CG HIS A 60 -9.646 -9.055 -15.123 1.00 0.00 C ATOM 926 ND1 HIS A 60 -10.664 -9.764 -15.724 1.00 0.00 N ATOM 927 CD2 HIS A 60 -9.157 -8.223 -16.072 1.00 0.00 C ATOM 928 CE1 HIS A 60 -10.783 -9.379 -16.982 1.00 0.00 C ATOM 929 NE2 HIS A 60 -9.880 -8.444 -17.219 1.00 0.00 N ATOM 0 H HIS A 60 -7.335 -6.743 -14.069 1.00 0.00 H new ATOM 0 HA HIS A 60 -9.345 -7.155 -13.219 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -8.513 -10.051 -13.633 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -10.120 -9.573 -13.123 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -8.349 -7.517 -15.950 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -11.497 -9.763 -17.695 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -9.742 -7.964 -18.109 1.00 0.00 H new ATOM 938 N SER A 61 -7.564 -7.525 -10.933 1.00 0.00 N ATOM 939 CA SER A 61 -7.331 -7.637 -9.498 1.00 0.00 C ATOM 940 C SER A 61 -8.386 -6.863 -8.714 1.00 0.00 C ATOM 941 O SER A 61 -8.924 -7.356 -7.723 1.00 0.00 O ATOM 942 CB SER A 61 -5.935 -7.120 -9.145 1.00 0.00 C ATOM 943 OG SER A 61 -4.960 -7.633 -10.037 1.00 0.00 O ATOM 0 H SER A 61 -6.923 -6.896 -11.416 1.00 0.00 H new ATOM 0 HA SER A 61 -7.401 -8.690 -9.225 1.00 0.00 H new ATOM 0 HB2 SER A 61 -5.928 -6.031 -9.181 1.00 0.00 H new ATOM 0 HB3 SER A 61 -5.685 -7.407 -8.124 1.00 0.00 H new ATOM 0 HG SER A 61 -4.702 -6.936 -10.676 1.00 0.00 H new ATOM 949 N ILE A 62 -8.676 -5.647 -9.166 1.00 0.00 N ATOM 950 CA ILE A 62 -9.666 -4.805 -8.508 1.00 0.00 C ATOM 951 C ILE A 62 -10.369 -3.896 -9.511 1.00 0.00 C ATOM 952 O ILE A 62 -9.727 -3.118 -10.215 1.00 0.00 O ATOM 953 CB ILE A 62 -9.026 -3.937 -7.408 1.00 0.00 C ATOM 954 CG1 ILE A 62 -8.298 -4.819 -6.392 1.00 0.00 C ATOM 955 CG2 ILE A 62 -10.085 -3.089 -6.719 1.00 0.00 C ATOM 956 CD1 ILE A 62 -7.580 -4.035 -5.316 1.00 0.00 C ATOM 0 H ILE A 62 -8.239 -5.224 -9.985 1.00 0.00 H new ATOM 0 HA ILE A 62 -10.396 -5.474 -8.053 1.00 0.00 H new ATOM 0 HB ILE A 62 -8.298 -3.270 -7.869 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -9.018 -5.489 -5.923 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -7.576 -5.445 -6.917 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -9.617 -2.481 -5.944 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -10.563 -2.438 -7.451 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -10.834 -3.739 -6.267 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -7.086 -4.725 -4.631 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -6.835 -3.385 -5.775 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -8.300 -3.430 -4.765 1.00 0.00 H new ATOM 968 N ASN A 63 -11.693 -4.001 -9.570 1.00 0.00 N ATOM 969 CA ASN A 63 -12.484 -3.188 -10.487 1.00 0.00 C ATOM 970 C ASN A 63 -12.597 -1.753 -9.982 1.00 0.00 C ATOM 971 O ASN A 63 -13.309 -1.478 -9.015 1.00 0.00 O ATOM 972 CB ASN A 63 -13.879 -3.791 -10.662 1.00 0.00 C ATOM 973 CG ASN A 63 -14.658 -3.130 -11.783 1.00 0.00 C ATOM 974 OD1 ASN A 63 -14.127 -2.295 -12.514 1.00 0.00 O ATOM 975 ND2 ASN A 63 -15.925 -3.503 -11.923 1.00 0.00 N ATOM 0 H ASN A 63 -12.240 -4.641 -8.994 1.00 0.00 H new ATOM 0 HA ASN A 63 -11.977 -3.176 -11.452 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -13.788 -4.858 -10.867 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -14.434 -3.692 -9.729 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -16.499 -3.093 -12.660 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -16.324 -4.199 -11.294 1.00 0.00 H new ATOM 982 N LEU A 64 -11.892 -0.842 -10.642 1.00 0.00 N ATOM 983 CA LEU A 64 -11.913 0.566 -10.261 1.00 0.00 C ATOM 984 C LEU A 64 -13.334 1.024 -9.947 1.00 0.00 C ATOM 985 O LEU A 64 -13.547 1.878 -9.086 1.00 0.00 O ATOM 986 CB LEU A 64 -11.324 1.427 -11.380 1.00 0.00 C ATOM 987 CG LEU A 64 -9.870 1.136 -11.755 1.00 0.00 C ATOM 988 CD1 LEU A 64 -9.464 1.942 -12.979 1.00 0.00 C ATOM 989 CD2 LEU A 64 -8.946 1.438 -10.584 1.00 0.00 C ATOM 0 H LEU A 64 -11.298 -1.053 -11.444 1.00 0.00 H new ATOM 0 HA LEU A 64 -11.306 0.683 -9.363 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -11.940 1.302 -12.270 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -11.400 2.473 -11.084 1.00 0.00 H new ATOM 0 HG LEU A 64 -9.782 0.077 -11.997 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -8.427 1.722 -13.232 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -10.106 1.676 -13.819 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -9.568 3.006 -12.765 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -7.916 1.225 -10.869 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -9.037 2.489 -10.310 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -9.223 0.816 -9.732 1.00 0.00 H new ATOM 1001 N LYS A 65 -14.304 0.448 -10.649 1.00 0.00 N ATOM 1002 CA LYS A 65 -15.706 0.793 -10.444 1.00 0.00 C ATOM 1003 C LYS A 65 -16.188 0.322 -9.076 1.00 0.00 C ATOM 1004 O LYS A 65 -16.953 1.014 -8.405 1.00 0.00 O ATOM 1005 CB LYS A 65 -16.571 0.173 -11.543 1.00 0.00 C ATOM 1006 CG LYS A 65 -16.152 0.574 -12.947 1.00 0.00 C ATOM 1007 CD LYS A 65 -16.474 2.032 -13.230 1.00 0.00 C ATOM 1008 CE LYS A 65 -16.429 2.333 -14.720 1.00 0.00 C ATOM 1009 NZ LYS A 65 -16.928 3.703 -15.024 1.00 0.00 N ATOM 0 H LYS A 65 -14.145 -0.260 -11.365 1.00 0.00 H new ATOM 0 HA LYS A 65 -15.797 1.878 -10.488 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -16.530 -0.913 -11.457 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -17.609 0.466 -11.385 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -15.082 0.406 -13.070 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -16.660 -0.060 -13.674 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -17.463 2.270 -12.839 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -15.763 2.671 -12.707 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -15.405 2.231 -15.080 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -17.031 1.600 -15.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -16.881 3.870 -16.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -17.913 3.793 -14.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -16.338 4.404 -14.532 1.00 0.00 H new ATOM 1023 N GLU A 66 -15.733 -0.859 -8.668 1.00 0.00 N ATOM 1024 CA GLU A 66 -16.119 -1.422 -7.379 1.00 0.00 C ATOM 1025 C GLU A 66 -15.636 -0.536 -6.234 1.00 0.00 C ATOM 1026 O GLU A 66 -16.228 -0.523 -5.154 1.00 0.00 O ATOM 1027 CB GLU A 66 -15.549 -2.833 -7.223 1.00 0.00 C ATOM 1028 CG GLU A 66 -16.420 -3.913 -7.843 1.00 0.00 C ATOM 1029 CD GLU A 66 -16.149 -5.286 -7.260 1.00 0.00 C ATOM 1030 OE1 GLU A 66 -15.096 -5.873 -7.586 1.00 0.00 O ATOM 1031 OE2 GLU A 66 -16.991 -5.774 -6.477 1.00 0.00 O ATOM 0 H GLU A 66 -15.097 -1.444 -9.211 1.00 0.00 H new ATOM 0 HA GLU A 66 -17.207 -1.472 -7.343 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -14.560 -2.869 -7.680 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -15.418 -3.048 -6.162 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -17.469 -3.659 -7.693 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -16.249 -3.939 -8.919 1.00 0.00 H new ATOM 1038 N ILE A 67 -14.558 0.200 -6.477 1.00 0.00 N ATOM 1039 CA ILE A 67 -13.996 1.088 -5.467 1.00 0.00 C ATOM 1040 C ILE A 67 -14.349 2.543 -5.756 1.00 0.00 C ATOM 1041 O ILE A 67 -14.163 3.028 -6.871 1.00 0.00 O ATOM 1042 CB ILE A 67 -12.464 0.950 -5.385 1.00 0.00 C ATOM 1043 CG1 ILE A 67 -11.845 1.067 -6.780 1.00 0.00 C ATOM 1044 CG2 ILE A 67 -12.085 -0.374 -4.740 1.00 0.00 C ATOM 1045 CD1 ILE A 67 -10.335 1.163 -6.764 1.00 0.00 C ATOM 0 H ILE A 67 -14.056 0.199 -7.365 1.00 0.00 H new ATOM 0 HA ILE A 67 -14.431 0.794 -4.512 1.00 0.00 H new ATOM 0 HB ILE A 67 -12.073 1.757 -4.766 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -12.140 0.202 -7.373 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -12.252 1.948 -7.277 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -10.999 -0.456 -4.689 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -12.500 -0.420 -3.733 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -12.484 -1.196 -5.335 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -9.965 1.243 -7.786 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -10.032 2.044 -6.198 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -9.919 0.271 -6.296 1.00 0.00 H new ATOM 1057 N ASN A 68 -14.859 3.235 -4.742 1.00 0.00 N ATOM 1058 CA ASN A 68 -15.238 4.636 -4.886 1.00 0.00 C ATOM 1059 C ASN A 68 -14.013 5.507 -5.145 1.00 0.00 C ATOM 1060 O ASN A 68 -13.149 5.655 -4.280 1.00 0.00 O ATOM 1061 CB ASN A 68 -15.967 5.121 -3.631 1.00 0.00 C ATOM 1062 CG ASN A 68 -17.050 4.159 -3.184 1.00 0.00 C ATOM 1063 OD1 ASN A 68 -16.962 3.707 -1.939 1.00 0.00 O flip ATOM 1064 ND2 ASN A 68 -17.956 3.828 -3.949 1.00 0.00 N flip ATOM 0 H ASN A 68 -15.019 2.848 -3.812 1.00 0.00 H new ATOM 0 HA ASN A 68 -15.908 4.719 -5.742 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -15.247 5.253 -2.824 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -16.410 6.098 -3.826 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -17.984 4.201 -4.898 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -18.679 3.181 -3.634 1.00 0.00 H new ATOM 1173 N GLN A 75 -14.539 9.595 5.052 1.00 0.00 N ATOM 1174 CA GLN A 75 -14.493 8.552 6.071 1.00 0.00 C ATOM 1175 C GLN A 75 -15.285 7.326 5.630 1.00 0.00 C ATOM 1176 O GLN A 75 -14.825 6.193 5.774 1.00 0.00 O ATOM 1177 CB GLN A 75 -15.044 9.080 7.396 1.00 0.00 C ATOM 1178 CG GLN A 75 -14.870 8.113 8.556 1.00 0.00 C ATOM 1179 CD GLN A 75 -15.859 8.362 9.677 1.00 0.00 C ATOM 1180 OE1 GLN A 75 -17.016 8.706 9.435 1.00 0.00 O ATOM 1181 NE2 GLN A 75 -15.408 8.188 10.914 1.00 0.00 N ATOM 0 HA GLN A 75 -13.452 8.259 6.209 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -14.546 10.019 7.639 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -16.104 9.303 7.276 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -14.987 7.092 8.193 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -13.856 8.198 8.946 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -14.441 7.902 11.069 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -16.028 8.340 11.709 1.00 0.00 H new ATOM 1190 N PHE A 76 -16.477 7.559 5.092 1.00 0.00 N ATOM 1191 CA PHE A 76 -17.334 6.472 4.632 1.00 0.00 C ATOM 1192 C PHE A 76 -16.699 5.742 3.452 1.00 0.00 C ATOM 1193 O PHE A 76 -16.460 4.535 3.510 1.00 0.00 O ATOM 1194 CB PHE A 76 -18.709 7.013 4.232 1.00 0.00 C ATOM 1195 CG PHE A 76 -19.560 7.413 5.403 1.00 0.00 C ATOM 1196 CD1 PHE A 76 -20.116 6.452 6.232 1.00 0.00 C ATOM 1197 CD2 PHE A 76 -19.804 8.750 5.674 1.00 0.00 C ATOM 1198 CE1 PHE A 76 -20.899 6.817 7.311 1.00 0.00 C ATOM 1199 CE2 PHE A 76 -20.586 9.120 6.752 1.00 0.00 C ATOM 1200 CZ PHE A 76 -21.135 8.153 7.570 1.00 0.00 C ATOM 0 H PHE A 76 -16.872 8.491 4.964 1.00 0.00 H new ATOM 0 HA PHE A 76 -17.454 5.765 5.452 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -18.575 7.875 3.579 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -19.235 6.254 3.653 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -19.936 5.406 6.033 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -19.379 9.511 5.036 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -21.326 6.059 7.951 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -20.767 10.165 6.954 1.00 0.00 H new ATOM 0 HZ PHE A 76 -21.748 8.441 8.411 1.00 0.00 H new ATOM 1210 N LEU A 77 -16.429 6.482 2.382 1.00 0.00 N ATOM 1211 CA LEU A 77 -15.822 5.906 1.187 1.00 0.00 C ATOM 1212 C LEU A 77 -14.423 5.379 1.487 1.00 0.00 C ATOM 1213 O LEU A 77 -14.162 4.181 1.371 1.00 0.00 O ATOM 1214 CB LEU A 77 -15.758 6.949 0.070 1.00 0.00 C ATOM 1215 CG LEU A 77 -17.084 7.613 -0.305 1.00 0.00 C ATOM 1216 CD1 LEU A 77 -16.844 8.812 -1.208 1.00 0.00 C ATOM 1217 CD2 LEU A 77 -18.009 6.611 -0.981 1.00 0.00 C ATOM 0 H LEU A 77 -16.621 7.482 2.318 1.00 0.00 H new ATOM 0 HA LEU A 77 -16.442 5.071 0.861 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -15.056 7.728 0.367 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -15.348 6.473 -0.821 1.00 0.00 H new ATOM 0 HG LEU A 77 -17.564 7.963 0.609 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -17.799 9.271 -1.464 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -16.219 9.539 -0.689 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -16.342 8.487 -2.119 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -18.948 7.100 -1.241 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -17.535 6.231 -1.886 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -18.208 5.783 -0.301 1.00 0.00 H new ATOM 1229 N CYS A 78 -13.527 6.281 1.874 1.00 0.00 N ATOM 1230 CA CYS A 78 -12.154 5.907 2.193 1.00 0.00 C ATOM 1231 C CYS A 78 -12.110 4.567 2.921 1.00 0.00 C ATOM 1232 O CYS A 78 -11.514 3.604 2.436 1.00 0.00 O ATOM 1233 CB CYS A 78 -11.494 6.988 3.049 1.00 0.00 C ATOM 1234 SG CYS A 78 -9.789 6.618 3.522 1.00 0.00 S ATOM 0 H CYS A 78 -13.727 7.276 1.974 1.00 0.00 H new ATOM 0 HA CYS A 78 -11.604 5.809 1.257 1.00 0.00 H new ATOM 0 HB2 CYS A 78 -11.511 7.930 2.502 1.00 0.00 H new ATOM 0 HB3 CYS A 78 -12.087 7.133 3.952 1.00 0.00 H new ATOM 0 HG CYS A 78 -9.560 7.079 4.716 1.00 0.00 H new ATOM 1240 N LEU A 79 -12.743 4.513 4.087 1.00 0.00 N ATOM 1241 CA LEU A 79 -12.776 3.292 4.884 1.00 0.00 C ATOM 1242 C LEU A 79 -13.132 2.087 4.020 1.00 0.00 C ATOM 1243 O LEU A 79 -12.386 1.109 3.961 1.00 0.00 O ATOM 1244 CB LEU A 79 -13.784 3.431 6.026 1.00 0.00 C ATOM 1245 CG LEU A 79 -13.271 4.111 7.296 1.00 0.00 C ATOM 1246 CD1 LEU A 79 -14.425 4.428 8.235 1.00 0.00 C ATOM 1247 CD2 LEU A 79 -12.241 3.233 7.991 1.00 0.00 C ATOM 0 H LEU A 79 -13.241 5.301 4.502 1.00 0.00 H new ATOM 0 HA LEU A 79 -11.782 3.135 5.303 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -14.643 3.993 5.659 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -14.143 2.436 6.290 1.00 0.00 H new ATOM 0 HG LEU A 79 -12.790 5.048 7.015 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -14.041 4.911 9.133 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -15.127 5.095 7.736 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -14.935 3.505 8.510 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -11.887 3.732 8.893 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -12.697 2.280 8.259 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -11.401 3.057 7.320 1.00 0.00 H new ATOM 1259 N LYS A 80 -14.276 2.164 3.348 1.00 0.00 N ATOM 1260 CA LYS A 80 -14.730 1.082 2.483 1.00 0.00 C ATOM 1261 C LYS A 80 -13.635 0.672 1.504 1.00 0.00 C ATOM 1262 O LYS A 80 -13.209 -0.482 1.483 1.00 0.00 O ATOM 1263 CB LYS A 80 -15.983 1.509 1.714 1.00 0.00 C ATOM 1264 CG LYS A 80 -16.890 0.349 1.339 1.00 0.00 C ATOM 1265 CD LYS A 80 -16.383 -0.378 0.104 1.00 0.00 C ATOM 1266 CE LYS A 80 -16.653 0.420 -1.162 1.00 0.00 C ATOM 1267 NZ LYS A 80 -17.986 0.100 -1.745 1.00 0.00 N ATOM 0 H LYS A 80 -14.906 2.965 3.386 1.00 0.00 H new ATOM 0 HA LYS A 80 -14.971 0.224 3.111 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -16.546 2.219 2.319 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -15.682 2.032 0.806 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -16.953 -0.349 2.173 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -17.899 0.719 1.156 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -15.312 -0.558 0.200 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -16.865 -1.353 0.031 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -16.601 1.485 -0.938 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -15.875 0.210 -1.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -18.133 0.664 -2.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -18.027 -0.912 -1.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -18.730 0.324 -1.054 1.00 0.00 H new ATOM 1281 N ASN A 81 -13.183 1.625 0.695 1.00 0.00 N ATOM 1282 CA ASN A 81 -12.137 1.362 -0.286 1.00 0.00 C ATOM 1283 C ASN A 81 -11.042 0.482 0.309 1.00 0.00 C ATOM 1284 O ASN A 81 -10.841 -0.654 -0.121 1.00 0.00 O ATOM 1285 CB ASN A 81 -11.535 2.677 -0.786 1.00 0.00 C ATOM 1286 CG ASN A 81 -12.526 3.496 -1.591 1.00 0.00 C ATOM 1287 OD1 ASN A 81 -13.614 3.026 -1.922 1.00 0.00 O ATOM 1288 ND2 ASN A 81 -12.151 4.730 -1.910 1.00 0.00 N ATOM 0 H ASN A 81 -13.525 2.586 0.700 1.00 0.00 H new ATOM 0 HA ASN A 81 -12.587 0.833 -1.127 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -11.190 3.263 0.066 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -10.660 2.463 -1.400 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -12.775 5.329 -2.451 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -11.239 5.078 -1.614 1.00 0.00 H new ATOM 1295 N ILE A 82 -10.336 1.016 1.301 1.00 0.00 N ATOM 1296 CA ILE A 82 -9.263 0.279 1.956 1.00 0.00 C ATOM 1297 C ILE A 82 -9.591 -1.208 2.045 1.00 0.00 C ATOM 1298 O ILE A 82 -8.802 -2.054 1.623 1.00 0.00 O ATOM 1299 CB ILE A 82 -8.993 0.819 3.373 1.00 0.00 C ATOM 1300 CG1 ILE A 82 -8.529 2.276 3.308 1.00 0.00 C ATOM 1301 CG2 ILE A 82 -7.956 -0.041 4.079 1.00 0.00 C ATOM 1302 CD1 ILE A 82 -8.638 3.004 4.629 1.00 0.00 C ATOM 0 H ILE A 82 -10.488 1.955 1.668 1.00 0.00 H new ATOM 0 HA ILE A 82 -8.369 0.415 1.347 1.00 0.00 H new ATOM 0 HB ILE A 82 -9.921 0.778 3.944 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -7.493 2.304 2.971 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -9.121 2.805 2.561 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -7.776 0.353 5.079 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -8.322 -1.065 4.153 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -7.026 -0.029 3.511 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -8.292 4.031 4.508 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -9.677 3.007 4.958 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -8.023 2.499 5.374 1.00 0.00 H new ATOM 1314 N ARG A 83 -10.760 -1.518 2.595 1.00 0.00 N ATOM 1315 CA ARG A 83 -11.193 -2.903 2.739 1.00 0.00 C ATOM 1316 C ARG A 83 -11.165 -3.624 1.394 1.00 0.00 C ATOM 1317 O ARG A 83 -10.596 -4.709 1.270 1.00 0.00 O ATOM 1318 CB ARG A 83 -12.602 -2.960 3.331 1.00 0.00 C ATOM 1319 CG ARG A 83 -12.624 -2.972 4.851 1.00 0.00 C ATOM 1320 CD ARG A 83 -13.962 -2.492 5.392 1.00 0.00 C ATOM 1321 NE ARG A 83 -14.941 -3.574 5.468 1.00 0.00 N ATOM 1322 CZ ARG A 83 -15.010 -4.433 6.479 1.00 0.00 C ATOM 1323 NH1 ARG A 83 -14.162 -4.337 7.493 1.00 0.00 N ATOM 1324 NH2 ARG A 83 -15.929 -5.390 6.476 1.00 0.00 N ATOM 0 H ARG A 83 -11.424 -0.829 2.948 1.00 0.00 H new ATOM 0 HA ARG A 83 -10.501 -3.405 3.416 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -13.172 -2.102 2.975 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -13.106 -3.853 2.962 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -12.426 -3.982 5.211 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -11.826 -2.335 5.233 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -13.819 -2.062 6.383 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -14.348 -1.698 4.753 1.00 0.00 H new ATOM 0 HE ARG A 83 -15.608 -3.675 4.703 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -13.454 -3.602 7.498 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -14.217 -4.998 8.268 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -16.583 -5.467 5.697 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -15.981 -6.049 7.253 1.00 0.00 H new ATOM 1338 N THR A 84 -11.783 -3.013 0.388 1.00 0.00 N ATOM 1339 CA THR A 84 -11.831 -3.596 -0.946 1.00 0.00 C ATOM 1340 C THR A 84 -10.469 -4.143 -1.357 1.00 0.00 C ATOM 1341 O THR A 84 -10.376 -5.195 -1.990 1.00 0.00 O ATOM 1342 CB THR A 84 -12.295 -2.565 -1.993 1.00 0.00 C ATOM 1343 OG1 THR A 84 -13.608 -2.095 -1.670 1.00 0.00 O ATOM 1344 CG2 THR A 84 -12.298 -3.174 -3.387 1.00 0.00 C ATOM 0 H THR A 84 -12.257 -2.114 0.473 1.00 0.00 H new ATOM 0 HA THR A 84 -12.551 -4.414 -0.908 1.00 0.00 H new ATOM 0 HB THR A 84 -11.597 -1.728 -1.980 1.00 0.00 H new ATOM 0 HG1 THR A 84 -13.894 -1.439 -2.339 1.00 0.00 H new ATOM 0 HG21 THR A 84 -12.629 -2.428 -4.109 1.00 0.00 H new ATOM 0 HG22 THR A 84 -11.291 -3.504 -3.642 1.00 0.00 H new ATOM 0 HG23 THR A 84 -12.976 -4.027 -3.410 1.00 0.00 H new ATOM 1352 N PHE A 85 -9.413 -3.422 -0.992 1.00 0.00 N ATOM 1353 CA PHE A 85 -8.054 -3.835 -1.323 1.00 0.00 C ATOM 1354 C PHE A 85 -7.663 -5.089 -0.547 1.00 0.00 C ATOM 1355 O PHE A 85 -7.352 -6.126 -1.135 1.00 0.00 O ATOM 1356 CB PHE A 85 -7.067 -2.706 -1.021 1.00 0.00 C ATOM 1357 CG PHE A 85 -5.656 -3.181 -0.820 1.00 0.00 C ATOM 1358 CD1 PHE A 85 -4.793 -3.303 -1.897 1.00 0.00 C ATOM 1359 CD2 PHE A 85 -5.193 -3.504 0.445 1.00 0.00 C ATOM 1360 CE1 PHE A 85 -3.495 -3.740 -1.716 1.00 0.00 C ATOM 1361 CE2 PHE A 85 -3.896 -3.941 0.633 1.00 0.00 C ATOM 1362 CZ PHE A 85 -3.045 -4.059 -0.449 1.00 0.00 C ATOM 0 H PHE A 85 -9.473 -2.549 -0.467 1.00 0.00 H new ATOM 0 HA PHE A 85 -8.019 -4.063 -2.388 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -7.087 -1.988 -1.841 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -7.395 -2.177 -0.126 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -5.139 -3.054 -2.889 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -5.854 -3.413 1.294 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -2.833 -3.832 -2.564 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -3.548 -4.190 1.624 1.00 0.00 H new ATOM 0 HZ PHE A 85 -2.030 -4.400 -0.305 1.00 0.00 H new ATOM 1372 N LEU A 86 -7.680 -4.987 0.778 1.00 0.00 N ATOM 1373 CA LEU A 86 -7.327 -6.112 1.636 1.00 0.00 C ATOM 1374 C LEU A 86 -8.003 -7.394 1.160 1.00 0.00 C ATOM 1375 O LEU A 86 -7.488 -8.494 1.365 1.00 0.00 O ATOM 1376 CB LEU A 86 -7.726 -5.819 3.084 1.00 0.00 C ATOM 1377 CG LEU A 86 -7.145 -4.544 3.695 1.00 0.00 C ATOM 1378 CD1 LEU A 86 -7.941 -4.130 4.923 1.00 0.00 C ATOM 1379 CD2 LEU A 86 -5.678 -4.743 4.050 1.00 0.00 C ATOM 0 H LEU A 86 -7.934 -4.137 1.281 1.00 0.00 H new ATOM 0 HA LEU A 86 -6.247 -6.252 1.584 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -8.813 -5.760 3.135 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -7.423 -6.665 3.701 1.00 0.00 H new ATOM 0 HG LEU A 86 -7.214 -3.746 2.956 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -7.513 -3.221 5.345 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -8.977 -3.946 4.640 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -7.904 -4.927 5.666 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -5.281 -3.825 4.484 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -5.585 -5.555 4.771 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -5.116 -4.991 3.150 1.00 0.00 H new ATOM 1391 N THR A 87 -9.160 -7.245 0.522 1.00 0.00 N ATOM 1392 CA THR A 87 -9.906 -8.390 0.015 1.00 0.00 C ATOM 1393 C THR A 87 -9.189 -9.035 -1.166 1.00 0.00 C ATOM 1394 O THR A 87 -8.969 -10.246 -1.184 1.00 0.00 O ATOM 1395 CB THR A 87 -11.327 -7.986 -0.420 1.00 0.00 C ATOM 1396 OG1 THR A 87 -11.953 -7.210 0.608 1.00 0.00 O ATOM 1397 CG2 THR A 87 -12.171 -9.216 -0.719 1.00 0.00 C ATOM 0 H THR A 87 -9.601 -6.342 0.344 1.00 0.00 H new ATOM 0 HA THR A 87 -9.974 -9.109 0.831 1.00 0.00 H new ATOM 0 HB THR A 87 -11.249 -7.388 -1.328 1.00 0.00 H new ATOM 0 HG1 THR A 87 -11.499 -6.345 0.688 1.00 0.00 H new ATOM 0 HG21 THR A 87 -13.170 -8.906 -1.024 1.00 0.00 H new ATOM 0 HG22 THR A 87 -11.708 -9.789 -1.522 1.00 0.00 H new ATOM 0 HG23 THR A 87 -12.241 -9.836 0.175 1.00 0.00 H new ATOM 1405 N ALA A 88 -8.826 -8.218 -2.149 1.00 0.00 N ATOM 1406 CA ALA A 88 -8.131 -8.709 -3.333 1.00 0.00 C ATOM 1407 C ALA A 88 -6.842 -9.431 -2.953 1.00 0.00 C ATOM 1408 O ALA A 88 -6.499 -10.459 -3.538 1.00 0.00 O ATOM 1409 CB ALA A 88 -7.834 -7.561 -4.285 1.00 0.00 C ATOM 0 H ALA A 88 -9.002 -7.213 -2.149 1.00 0.00 H new ATOM 0 HA ALA A 88 -8.782 -9.424 -3.836 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -7.315 -7.942 -5.164 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -8.769 -7.091 -4.591 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -7.205 -6.826 -3.783 1.00 0.00 H new ATOM 1415 N CYS A 89 -6.132 -8.885 -1.972 1.00 0.00 N ATOM 1416 CA CYS A 89 -4.879 -9.476 -1.515 1.00 0.00 C ATOM 1417 C CYS A 89 -5.065 -10.952 -1.178 1.00 0.00 C ATOM 1418 O CYS A 89 -4.098 -11.713 -1.120 1.00 0.00 O ATOM 1419 CB CYS A 89 -4.352 -8.724 -0.292 1.00 0.00 C ATOM 1420 SG CYS A 89 -3.616 -7.117 -0.674 1.00 0.00 S ATOM 0 H CYS A 89 -6.402 -8.035 -1.478 1.00 0.00 H new ATOM 0 HA CYS A 89 -4.152 -9.395 -2.323 1.00 0.00 H new ATOM 0 HB2 CYS A 89 -5.171 -8.578 0.412 1.00 0.00 H new ATOM 0 HB3 CYS A 89 -3.607 -9.343 0.209 1.00 0.00 H new ATOM 0 HG CYS A 89 -4.095 -6.218 0.133 1.00 0.00 H new ATOM 1426 N CYS A 90 -6.313 -11.350 -0.955 1.00 0.00 N ATOM 1427 CA CYS A 90 -6.626 -12.735 -0.621 1.00 0.00 C ATOM 1428 C CYS A 90 -7.395 -13.406 -1.754 1.00 0.00 C ATOM 1429 O CYS A 90 -7.322 -14.622 -1.930 1.00 0.00 O ATOM 1430 CB CYS A 90 -7.440 -12.798 0.672 1.00 0.00 C ATOM 1431 SG CYS A 90 -7.821 -14.477 1.223 1.00 0.00 S ATOM 0 H CYS A 90 -7.124 -10.733 -0.999 1.00 0.00 H new ATOM 0 HA CYS A 90 -5.687 -13.270 -0.477 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -6.890 -12.284 1.460 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -8.373 -12.254 0.528 1.00 0.00 H new ATOM 0 HG CYS A 90 -7.752 -15.292 0.212 1.00 0.00 H new ATOM 1437 N GLU A 91 -8.133 -12.606 -2.517 1.00 0.00 N ATOM 1438 CA GLU A 91 -8.918 -13.125 -3.631 1.00 0.00 C ATOM 1439 C GLU A 91 -8.075 -13.204 -4.901 1.00 0.00 C ATOM 1440 O GLU A 91 -7.966 -14.261 -5.523 1.00 0.00 O ATOM 1441 CB GLU A 91 -10.145 -12.243 -3.874 1.00 0.00 C ATOM 1442 CG GLU A 91 -11.101 -12.191 -2.695 1.00 0.00 C ATOM 1443 CD GLU A 91 -12.137 -13.297 -2.735 1.00 0.00 C ATOM 1444 OE1 GLU A 91 -11.778 -14.457 -2.444 1.00 0.00 O ATOM 1445 OE2 GLU A 91 -13.307 -13.003 -3.057 1.00 0.00 O ATOM 0 H GLU A 91 -8.204 -11.597 -2.384 1.00 0.00 H new ATOM 0 HA GLU A 91 -9.248 -14.131 -3.372 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -9.814 -11.231 -4.107 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -10.680 -12.613 -4.749 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -10.533 -12.264 -1.768 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -11.606 -11.225 -2.684 1.00 0.00 H new ATOM 1452 N THR A 92 -7.480 -12.078 -5.279 1.00 0.00 N ATOM 1453 CA THR A 92 -6.648 -12.017 -6.475 1.00 0.00 C ATOM 1454 C THR A 92 -5.368 -12.825 -6.295 1.00 0.00 C ATOM 1455 O THR A 92 -5.080 -13.733 -7.075 1.00 0.00 O ATOM 1456 CB THR A 92 -6.279 -10.565 -6.830 1.00 0.00 C ATOM 1457 OG1 THR A 92 -7.461 -9.823 -7.150 1.00 0.00 O ATOM 1458 CG2 THR A 92 -5.314 -10.523 -8.006 1.00 0.00 C ATOM 0 H THR A 92 -7.558 -11.195 -4.774 1.00 0.00 H new ATOM 0 HA THR A 92 -7.233 -12.444 -7.289 1.00 0.00 H new ATOM 0 HB THR A 92 -5.792 -10.116 -5.965 1.00 0.00 H new ATOM 0 HG1 THR A 92 -7.992 -9.687 -6.338 1.00 0.00 H new ATOM 0 HG21 THR A 92 -5.068 -9.487 -8.238 1.00 0.00 H new ATOM 0 HG22 THR A 92 -4.403 -11.063 -7.749 1.00 0.00 H new ATOM 0 HG23 THR A 92 -5.779 -10.989 -8.875 1.00 0.00 H new ATOM 1466 N PHE A 93 -4.602 -12.490 -5.262 1.00 0.00 N ATOM 1467 CA PHE A 93 -3.351 -13.185 -4.980 1.00 0.00 C ATOM 1468 C PHE A 93 -3.591 -14.389 -4.074 1.00 0.00 C ATOM 1469 O PHE A 93 -3.372 -15.532 -4.472 1.00 0.00 O ATOM 1470 CB PHE A 93 -2.350 -12.231 -4.326 1.00 0.00 C ATOM 1471 CG PHE A 93 -1.886 -11.131 -5.237 1.00 0.00 C ATOM 1472 CD1 PHE A 93 -2.765 -10.146 -5.659 1.00 0.00 C ATOM 1473 CD2 PHE A 93 -0.572 -11.082 -5.673 1.00 0.00 C ATOM 1474 CE1 PHE A 93 -2.341 -9.132 -6.498 1.00 0.00 C ATOM 1475 CE2 PHE A 93 -0.142 -10.071 -6.511 1.00 0.00 C ATOM 1476 CZ PHE A 93 -1.028 -9.095 -6.925 1.00 0.00 C ATOM 0 H PHE A 93 -4.826 -11.741 -4.606 1.00 0.00 H new ATOM 0 HA PHE A 93 -2.940 -13.540 -5.925 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -2.807 -11.790 -3.440 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -1.485 -12.801 -3.988 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -3.793 -10.171 -5.329 1.00 0.00 H new ATOM 0 HD2 PHE A 93 0.125 -11.843 -5.354 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -3.036 -8.370 -6.819 1.00 0.00 H new ATOM 0 HE2 PHE A 93 0.886 -10.044 -6.842 1.00 0.00 H new ATOM 0 HZ PHE A 93 -0.695 -8.305 -7.581 1.00 0.00 H new ATOM 1486 N GLY A 94 -4.041 -14.122 -2.851 1.00 0.00 N ATOM 1487 CA GLY A 94 -4.302 -15.193 -1.907 1.00 0.00 C ATOM 1488 C GLY A 94 -3.187 -15.357 -0.894 1.00 0.00 C ATOM 1489 O GLY A 94 -2.501 -16.378 -0.876 1.00 0.00 O ATOM 0 H GLY A 94 -4.229 -13.184 -2.498 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -5.237 -14.992 -1.384 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -4.435 -16.128 -2.451 1.00 0.00 H new ATOM 1493 N MET A 95 -3.003 -14.347 -0.049 1.00 0.00 N ATOM 1494 CA MET A 95 -1.962 -14.384 0.972 1.00 0.00 C ATOM 1495 C MET A 95 -2.571 -14.507 2.365 1.00 0.00 C ATOM 1496 O MET A 95 -3.786 -14.642 2.512 1.00 0.00 O ATOM 1497 CB MET A 95 -1.094 -13.128 0.891 1.00 0.00 C ATOM 1498 CG MET A 95 -1.777 -11.881 1.429 1.00 0.00 C ATOM 1499 SD MET A 95 -0.603 -10.644 2.014 1.00 0.00 S ATOM 1500 CE MET A 95 -0.714 -9.425 0.706 1.00 0.00 C ATOM 0 H MET A 95 -3.561 -13.493 -0.051 1.00 0.00 H new ATOM 0 HA MET A 95 -1.339 -15.259 0.789 1.00 0.00 H new ATOM 0 HB2 MET A 95 -0.173 -13.297 1.448 1.00 0.00 H new ATOM 0 HB3 MET A 95 -0.812 -12.958 -0.148 1.00 0.00 H new ATOM 0 HG2 MET A 95 -2.398 -11.445 0.646 1.00 0.00 H new ATOM 0 HG3 MET A 95 -2.443 -12.160 2.246 1.00 0.00 H new ATOM 0 HE1 MET A 95 0.190 -8.815 0.699 1.00 0.00 H new ATOM 0 HE2 MET A 95 -0.818 -9.930 -0.254 1.00 0.00 H new ATOM 0 HE3 MET A 95 -1.581 -8.787 0.876 1.00 0.00 H new ATOM 1510 N ARG A 96 -1.720 -14.458 3.384 1.00 0.00 N ATOM 1511 CA ARG A 96 -2.175 -14.564 4.765 1.00 0.00 C ATOM 1512 C ARG A 96 -3.050 -13.373 5.144 1.00 0.00 C ATOM 1513 O ARG A 96 -2.547 -12.288 5.437 1.00 0.00 O ATOM 1514 CB ARG A 96 -0.978 -14.653 5.714 1.00 0.00 C ATOM 1515 CG ARG A 96 -0.358 -16.039 5.785 1.00 0.00 C ATOM 1516 CD ARG A 96 -1.361 -17.072 6.275 1.00 0.00 C ATOM 1517 NE ARG A 96 -0.708 -18.304 6.711 1.00 0.00 N ATOM 1518 CZ ARG A 96 -0.123 -18.446 7.895 1.00 0.00 C ATOM 1519 NH1 ARG A 96 -0.109 -17.438 8.757 1.00 0.00 N ATOM 1520 NH2 ARG A 96 0.450 -19.598 8.220 1.00 0.00 N ATOM 0 H ARG A 96 -0.712 -14.346 3.280 1.00 0.00 H new ATOM 0 HA ARG A 96 -2.770 -15.473 4.855 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -0.218 -13.940 5.394 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -1.295 -14.354 6.713 1.00 0.00 H new ATOM 0 HG2 ARG A 96 0.010 -16.326 4.800 1.00 0.00 H new ATOM 0 HG3 ARG A 96 0.503 -16.020 6.453 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -1.937 -16.655 7.101 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -2.067 -17.299 5.476 1.00 0.00 H new ATOM 0 HE ARG A 96 -0.701 -19.098 6.071 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -0.548 -16.551 8.511 1.00 0.00 H new ATOM 0 HH12 ARG A 96 0.341 -17.550 9.665 1.00 0.00 H new ATOM 0 HH21 ARG A 96 0.442 -20.376 7.560 1.00 0.00 H new ATOM 0 HH22 ARG A 96 0.899 -19.706 9.130 1.00 0.00 H new ATOM 1534 N LYS A 97 -4.362 -13.582 5.134 1.00 0.00 N ATOM 1535 CA LYS A 97 -5.308 -12.527 5.476 1.00 0.00 C ATOM 1536 C LYS A 97 -4.996 -11.940 6.849 1.00 0.00 C ATOM 1537 O LYS A 97 -5.301 -10.780 7.122 1.00 0.00 O ATOM 1538 CB LYS A 97 -6.739 -13.070 5.455 1.00 0.00 C ATOM 1539 CG LYS A 97 -7.790 -12.026 5.789 1.00 0.00 C ATOM 1540 CD LYS A 97 -9.171 -12.648 5.919 1.00 0.00 C ATOM 1541 CE LYS A 97 -9.369 -13.286 7.285 1.00 0.00 C ATOM 1542 NZ LYS A 97 -9.921 -12.319 8.274 1.00 0.00 N ATOM 0 H LYS A 97 -4.795 -14.474 4.892 1.00 0.00 H new ATOM 0 HA LYS A 97 -5.215 -11.735 4.732 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -6.948 -13.481 4.467 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -6.817 -13.893 6.166 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -7.525 -11.527 6.721 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -7.806 -11.262 5.012 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -9.932 -11.884 5.760 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -9.307 -13.400 5.142 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -10.044 -14.137 7.194 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -8.416 -13.672 7.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -10.041 -12.792 9.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -9.265 -11.519 8.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -10.842 -11.970 7.941 1.00 0.00 H new ATOM 1556 N SER A 98 -4.385 -12.750 7.708 1.00 0.00 N ATOM 1557 CA SER A 98 -4.033 -12.311 9.054 1.00 0.00 C ATOM 1558 C SER A 98 -2.905 -11.285 9.013 1.00 0.00 C ATOM 1559 O SER A 98 -2.814 -10.413 9.877 1.00 0.00 O ATOM 1560 CB SER A 98 -3.618 -13.508 9.911 1.00 0.00 C ATOM 1561 OG SER A 98 -3.763 -13.221 11.291 1.00 0.00 O ATOM 0 H SER A 98 -4.124 -13.713 7.496 1.00 0.00 H new ATOM 0 HA SER A 98 -4.911 -11.842 9.498 1.00 0.00 H new ATOM 0 HB2 SER A 98 -4.226 -14.374 9.651 1.00 0.00 H new ATOM 0 HB3 SER A 98 -2.582 -13.770 9.698 1.00 0.00 H new ATOM 0 HG SER A 98 -3.493 -14.002 11.818 1.00 0.00 H new ATOM 1567 N GLU A 99 -2.048 -11.396 8.003 1.00 0.00 N ATOM 1568 CA GLU A 99 -0.925 -10.479 7.850 1.00 0.00 C ATOM 1569 C GLU A 99 -1.409 -9.089 7.446 1.00 0.00 C ATOM 1570 O GLU A 99 -0.800 -8.079 7.800 1.00 0.00 O ATOM 1571 CB GLU A 99 0.059 -11.012 6.807 1.00 0.00 C ATOM 1572 CG GLU A 99 0.812 -12.252 7.258 1.00 0.00 C ATOM 1573 CD GLU A 99 1.385 -12.111 8.655 1.00 0.00 C ATOM 1574 OE1 GLU A 99 2.497 -11.560 8.788 1.00 0.00 O ATOM 1575 OE2 GLU A 99 0.719 -12.551 9.616 1.00 0.00 O ATOM 0 H GLU A 99 -2.110 -12.112 7.279 1.00 0.00 H new ATOM 0 HA GLU A 99 -0.417 -10.403 8.812 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -0.485 -11.241 5.890 1.00 0.00 H new ATOM 0 HB3 GLU A 99 0.778 -10.229 6.564 1.00 0.00 H new ATOM 0 HG2 GLU A 99 0.141 -13.110 7.230 1.00 0.00 H new ATOM 0 HG3 GLU A 99 1.621 -12.456 6.557 1.00 0.00 H new ATOM 1582 N LEU A 100 -2.508 -9.046 6.701 1.00 0.00 N ATOM 1583 CA LEU A 100 -3.075 -7.781 6.247 1.00 0.00 C ATOM 1584 C LEU A 100 -3.288 -6.828 7.418 1.00 0.00 C ATOM 1585 O LEU A 100 -3.347 -7.250 8.573 1.00 0.00 O ATOM 1586 CB LEU A 100 -4.401 -8.024 5.524 1.00 0.00 C ATOM 1587 CG LEU A 100 -4.395 -9.122 4.461 1.00 0.00 C ATOM 1588 CD1 LEU A 100 -5.798 -9.351 3.921 1.00 0.00 C ATOM 1589 CD2 LEU A 100 -3.438 -8.766 3.332 1.00 0.00 C ATOM 0 H LEU A 100 -3.024 -9.872 6.399 1.00 0.00 H new ATOM 0 HA LEU A 100 -2.369 -7.323 5.554 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -5.158 -8.271 6.269 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -4.711 -7.091 5.052 1.00 0.00 H new ATOM 0 HG LEU A 100 -4.051 -10.047 4.924 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -5.773 -10.136 3.165 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -6.457 -9.652 4.736 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -6.171 -8.429 3.474 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -3.447 -9.559 2.584 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -3.751 -7.829 2.871 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -2.430 -8.655 3.731 1.00 0.00 H new ATOM 1601 N PHE A 101 -3.406 -5.540 7.113 1.00 0.00 N ATOM 1602 CA PHE A 101 -3.614 -4.526 8.140 1.00 0.00 C ATOM 1603 C PHE A 101 -5.101 -4.233 8.322 1.00 0.00 C ATOM 1604 O PHE A 101 -5.944 -4.805 7.632 1.00 0.00 O ATOM 1605 CB PHE A 101 -2.869 -3.240 7.777 1.00 0.00 C ATOM 1606 CG PHE A 101 -3.096 -2.796 6.360 1.00 0.00 C ATOM 1607 CD1 PHE A 101 -2.413 -3.397 5.314 1.00 0.00 C ATOM 1608 CD2 PHE A 101 -3.993 -1.780 6.073 1.00 0.00 C ATOM 1609 CE1 PHE A 101 -2.619 -2.990 4.010 1.00 0.00 C ATOM 1610 CE2 PHE A 101 -4.203 -1.369 4.770 1.00 0.00 C ATOM 1611 CZ PHE A 101 -3.516 -1.975 3.737 1.00 0.00 C ATOM 0 H PHE A 101 -3.361 -5.174 6.162 1.00 0.00 H new ATOM 0 HA PHE A 101 -3.220 -4.911 9.080 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -3.182 -2.445 8.453 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -1.801 -3.391 7.936 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -1.712 -4.192 5.521 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -4.535 -1.303 6.877 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -2.079 -3.465 3.204 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -4.904 -0.575 4.560 1.00 0.00 H new ATOM 0 HZ PHE A 101 -3.679 -1.656 2.718 1.00 0.00 H new ATOM 1621 N GLU A 102 -5.412 -3.338 9.254 1.00 0.00 N ATOM 1622 CA GLU A 102 -6.796 -2.970 9.527 1.00 0.00 C ATOM 1623 C GLU A 102 -7.198 -1.734 8.727 1.00 0.00 C ATOM 1624 O GLU A 102 -6.345 -0.990 8.244 1.00 0.00 O ATOM 1625 CB GLU A 102 -6.993 -2.709 11.022 1.00 0.00 C ATOM 1626 CG GLU A 102 -7.204 -3.974 11.837 1.00 0.00 C ATOM 1627 CD GLU A 102 -8.584 -4.570 11.642 1.00 0.00 C ATOM 1628 OE1 GLU A 102 -9.576 -3.822 11.766 1.00 0.00 O ATOM 1629 OE2 GLU A 102 -8.673 -5.785 11.367 1.00 0.00 O ATOM 0 H GLU A 102 -4.725 -2.855 9.832 1.00 0.00 H new ATOM 0 HA GLU A 102 -7.432 -3.801 9.224 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -6.122 -2.179 11.408 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -7.852 -2.052 11.158 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -6.451 -4.711 11.558 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -7.055 -3.750 12.893 1.00 0.00 H new ATOM 1636 N ALA A 103 -8.503 -1.523 8.591 1.00 0.00 N ATOM 1637 CA ALA A 103 -9.019 -0.378 7.851 1.00 0.00 C ATOM 1638 C ALA A 103 -8.675 0.930 8.555 1.00 0.00 C ATOM 1639 O ALA A 103 -8.175 1.868 7.934 1.00 0.00 O ATOM 1640 CB ALA A 103 -10.524 -0.502 7.669 1.00 0.00 C ATOM 0 H ALA A 103 -9.222 -2.130 8.984 1.00 0.00 H new ATOM 0 HA ALA A 103 -8.545 -0.367 6.869 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -10.896 0.360 7.115 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -10.750 -1.414 7.116 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -11.007 -0.541 8.646 1.00 0.00 H new ATOM 1646 N PHE A 104 -8.947 0.987 9.855 1.00 0.00 N ATOM 1647 CA PHE A 104 -8.668 2.181 10.643 1.00 0.00 C ATOM 1648 C PHE A 104 -7.165 2.412 10.768 1.00 0.00 C ATOM 1649 O PHE A 104 -6.677 3.522 10.555 1.00 0.00 O ATOM 1650 CB PHE A 104 -9.294 2.058 12.034 1.00 0.00 C ATOM 1651 CG PHE A 104 -9.543 3.382 12.699 1.00 0.00 C ATOM 1652 CD1 PHE A 104 -10.643 4.150 12.352 1.00 0.00 C ATOM 1653 CD2 PHE A 104 -8.678 3.857 13.671 1.00 0.00 C ATOM 1654 CE1 PHE A 104 -10.875 5.368 12.962 1.00 0.00 C ATOM 1655 CE2 PHE A 104 -8.905 5.075 14.284 1.00 0.00 C ATOM 1656 CZ PHE A 104 -10.005 5.832 13.928 1.00 0.00 C ATOM 0 H PHE A 104 -9.360 0.220 10.385 1.00 0.00 H new ATOM 0 HA PHE A 104 -9.107 3.036 10.129 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -10.237 1.518 11.953 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -8.638 1.460 12.667 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -11.327 3.793 11.596 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -7.817 3.269 13.953 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -11.737 5.957 12.683 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -8.223 5.435 15.040 1.00 0.00 H new ATOM 0 HZ PHE A 104 -10.184 6.785 14.405 1.00 0.00 H new ATOM 1666 N ASP A 105 -6.438 1.356 11.115 1.00 0.00 N ATOM 1667 CA ASP A 105 -4.990 1.441 11.268 1.00 0.00 C ATOM 1668 C ASP A 105 -4.386 2.368 10.217 1.00 0.00 C ATOM 1669 O ASP A 105 -3.521 3.190 10.523 1.00 0.00 O ATOM 1670 CB ASP A 105 -4.361 0.051 11.161 1.00 0.00 C ATOM 1671 CG ASP A 105 -4.258 -0.643 12.505 1.00 0.00 C ATOM 1672 OD1 ASP A 105 -4.177 0.063 13.532 1.00 0.00 O ATOM 1673 OD2 ASP A 105 -4.258 -1.891 12.529 1.00 0.00 O ATOM 0 H ASP A 105 -6.827 0.431 11.296 1.00 0.00 H new ATOM 0 HA ASP A 105 -4.778 1.852 12.255 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -4.955 -0.562 10.483 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -3.367 0.138 10.723 1.00 0.00 H new ATOM 1678 N LEU A 106 -4.847 2.231 8.979 1.00 0.00 N ATOM 1679 CA LEU A 106 -4.352 3.055 7.882 1.00 0.00 C ATOM 1680 C LEU A 106 -5.033 4.420 7.877 1.00 0.00 C ATOM 1681 O LEU A 106 -4.368 5.457 7.859 1.00 0.00 O ATOM 1682 CB LEU A 106 -4.585 2.352 6.544 1.00 0.00 C ATOM 1683 CG LEU A 106 -4.161 3.126 5.296 1.00 0.00 C ATOM 1684 CD1 LEU A 106 -2.646 3.245 5.231 1.00 0.00 C ATOM 1685 CD2 LEU A 106 -4.700 2.453 4.042 1.00 0.00 C ATOM 0 H LEU A 106 -5.563 1.557 8.709 1.00 0.00 H new ATOM 0 HA LEU A 106 -3.282 3.203 8.026 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -4.050 1.403 6.557 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -5.646 2.119 6.459 1.00 0.00 H new ATOM 0 HG LEU A 106 -4.581 4.130 5.354 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -2.363 3.799 4.336 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -2.284 3.772 6.114 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -2.204 2.249 5.197 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -4.388 3.018 3.163 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -4.310 1.437 3.978 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -5.789 2.421 4.085 1.00 0.00 H new ATOM 1697 N PHE A 107 -6.361 4.414 7.896 1.00 0.00 N ATOM 1698 CA PHE A 107 -7.132 5.652 7.895 1.00 0.00 C ATOM 1699 C PHE A 107 -6.585 6.634 8.927 1.00 0.00 C ATOM 1700 O PHE A 107 -6.192 7.750 8.589 1.00 0.00 O ATOM 1701 CB PHE A 107 -8.606 5.360 8.183 1.00 0.00 C ATOM 1702 CG PHE A 107 -9.513 6.525 7.908 1.00 0.00 C ATOM 1703 CD1 PHE A 107 -9.481 7.169 6.681 1.00 0.00 C ATOM 1704 CD2 PHE A 107 -10.398 6.975 8.874 1.00 0.00 C ATOM 1705 CE1 PHE A 107 -10.314 8.242 6.425 1.00 0.00 C ATOM 1706 CE2 PHE A 107 -11.234 8.047 8.623 1.00 0.00 C ATOM 1707 CZ PHE A 107 -11.192 8.680 7.397 1.00 0.00 C ATOM 0 H PHE A 107 -6.927 3.565 7.912 1.00 0.00 H new ATOM 0 HA PHE A 107 -7.045 6.104 6.907 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -8.925 4.511 7.578 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -8.712 5.065 9.227 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -8.798 6.829 5.917 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -10.435 6.483 9.834 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -10.278 8.737 5.466 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -11.919 8.389 9.385 1.00 0.00 H new ATOM 0 HZ PHE A 107 -11.845 9.517 7.198 1.00 0.00 H new ATOM 1717 N ASP A 108 -6.565 6.209 10.186 1.00 0.00 N ATOM 1718 CA ASP A 108 -6.066 7.050 11.268 1.00 0.00 C ATOM 1719 C ASP A 108 -4.544 6.990 11.345 1.00 0.00 C ATOM 1720 O ASP A 108 -3.947 7.379 12.349 1.00 0.00 O ATOM 1721 CB ASP A 108 -6.675 6.616 12.602 1.00 0.00 C ATOM 1722 CG ASP A 108 -7.972 7.338 12.909 1.00 0.00 C ATOM 1723 OD1 ASP A 108 -8.881 7.315 12.054 1.00 0.00 O ATOM 1724 OD2 ASP A 108 -8.077 7.928 14.006 1.00 0.00 O ATOM 0 H ASP A 108 -6.888 5.288 10.482 1.00 0.00 H new ATOM 0 HA ASP A 108 -6.361 8.079 11.061 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -6.857 5.541 12.583 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -5.960 6.804 13.403 1.00 0.00 H new ATOM 1729 N VAL A 109 -3.921 6.499 10.279 1.00 0.00 N ATOM 1730 CA VAL A 109 -2.468 6.387 10.226 1.00 0.00 C ATOM 1731 C VAL A 109 -1.900 5.967 11.577 1.00 0.00 C ATOM 1732 O VAL A 109 -0.891 6.507 12.032 1.00 0.00 O ATOM 1733 CB VAL A 109 -1.818 7.717 9.799 1.00 0.00 C ATOM 1734 CG1 VAL A 109 -0.339 7.518 9.505 1.00 0.00 C ATOM 1735 CG2 VAL A 109 -2.537 8.296 8.590 1.00 0.00 C ATOM 0 H VAL A 109 -4.400 6.172 9.440 1.00 0.00 H new ATOM 0 HA VAL A 109 -2.236 5.623 9.484 1.00 0.00 H new ATOM 0 HB VAL A 109 -1.908 8.427 10.621 1.00 0.00 H new ATOM 0 HG11 VAL A 109 0.103 8.468 9.205 1.00 0.00 H new ATOM 0 HG12 VAL A 109 0.164 7.150 10.400 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -0.223 6.793 8.699 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -2.065 9.235 8.301 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -2.479 7.591 7.760 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -3.582 8.477 8.841 1.00 0.00 H new ATOM 1745 N ARG A 110 -2.554 5.001 12.213 1.00 0.00 N ATOM 1746 CA ARG A 110 -2.114 4.509 13.513 1.00 0.00 C ATOM 1747 C ARG A 110 -0.744 3.844 13.407 1.00 0.00 C ATOM 1748 O ARG A 110 0.229 4.308 14.001 1.00 0.00 O ATOM 1749 CB ARG A 110 -3.132 3.517 14.078 1.00 0.00 C ATOM 1750 CG ARG A 110 -4.544 4.075 14.162 1.00 0.00 C ATOM 1751 CD ARG A 110 -5.320 3.455 15.313 1.00 0.00 C ATOM 1752 NE ARG A 110 -4.667 3.683 16.599 1.00 0.00 N ATOM 1753 CZ ARG A 110 -4.704 4.842 17.247 1.00 0.00 C ATOM 1754 NH1 ARG A 110 -5.360 5.873 16.732 1.00 0.00 N ATOM 1755 NH2 ARG A 110 -4.085 4.971 18.413 1.00 0.00 N ATOM 0 H ARG A 110 -3.390 4.544 11.850 1.00 0.00 H new ATOM 0 HA ARG A 110 -2.034 5.361 14.188 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -3.140 2.623 13.455 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -2.812 3.209 15.073 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -4.502 5.157 14.291 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -5.068 3.886 13.225 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -6.326 3.873 15.338 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -5.424 2.383 15.144 1.00 0.00 H new ATOM 0 HE ARG A 110 -4.154 2.910 17.023 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -5.838 5.777 15.836 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -5.387 6.762 17.232 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -3.580 4.180 18.813 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -4.114 5.861 18.910 1.00 0.00 H new ATOM 1769 N ASP A 111 -0.679 2.755 12.649 1.00 0.00 N ATOM 1770 CA ASP A 111 0.571 2.026 12.465 1.00 0.00 C ATOM 1771 C ASP A 111 0.788 1.681 10.995 1.00 0.00 C ATOM 1772 O ASP A 111 0.225 0.713 10.484 1.00 0.00 O ATOM 1773 CB ASP A 111 0.569 0.748 13.306 1.00 0.00 C ATOM 1774 CG ASP A 111 0.430 1.031 14.789 1.00 0.00 C ATOM 1775 OD1 ASP A 111 1.385 1.578 15.381 1.00 0.00 O ATOM 1776 OD2 ASP A 111 -0.633 0.707 15.358 1.00 0.00 O ATOM 0 H ASP A 111 -1.476 2.358 12.152 1.00 0.00 H new ATOM 0 HA ASP A 111 1.389 2.668 12.794 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -0.250 0.106 12.983 1.00 0.00 H new ATOM 0 HB3 ASP A 111 1.494 0.199 13.129 1.00 0.00 H new ATOM 1781 N PHE A 112 1.607 2.481 10.320 1.00 0.00 N ATOM 1782 CA PHE A 112 1.897 2.263 8.908 1.00 0.00 C ATOM 1783 C PHE A 112 2.775 1.029 8.717 1.00 0.00 C ATOM 1784 O PHE A 112 2.615 0.283 7.752 1.00 0.00 O ATOM 1785 CB PHE A 112 2.586 3.491 8.311 1.00 0.00 C ATOM 1786 CG PHE A 112 2.685 3.454 6.813 1.00 0.00 C ATOM 1787 CD1 PHE A 112 1.543 3.368 6.032 1.00 0.00 C ATOM 1788 CD2 PHE A 112 3.918 3.507 6.184 1.00 0.00 C ATOM 1789 CE1 PHE A 112 1.630 3.333 4.653 1.00 0.00 C ATOM 1790 CE2 PHE A 112 4.012 3.473 4.806 1.00 0.00 C ATOM 1791 CZ PHE A 112 2.866 3.387 4.039 1.00 0.00 C ATOM 0 H PHE A 112 2.082 3.286 10.728 1.00 0.00 H new ATOM 0 HA PHE A 112 0.952 2.098 8.390 1.00 0.00 H new ATOM 0 HB2 PHE A 112 2.039 4.385 8.609 1.00 0.00 H new ATOM 0 HB3 PHE A 112 3.588 3.576 8.731 1.00 0.00 H new ATOM 0 HD1 PHE A 112 0.574 3.328 6.507 1.00 0.00 H new ATOM 0 HD2 PHE A 112 4.817 3.576 6.778 1.00 0.00 H new ATOM 0 HE1 PHE A 112 0.733 3.264 4.056 1.00 0.00 H new ATOM 0 HE2 PHE A 112 4.980 3.514 4.329 1.00 0.00 H new ATOM 0 HZ PHE A 112 2.937 3.362 2.962 1.00 0.00 H new ATOM 1801 N GLY A 113 3.704 0.823 9.646 1.00 0.00 N ATOM 1802 CA GLY A 113 4.595 -0.320 9.562 1.00 0.00 C ATOM 1803 C GLY A 113 3.861 -1.604 9.230 1.00 0.00 C ATOM 1804 O GLY A 113 4.379 -2.456 8.508 1.00 0.00 O ATOM 0 H GLY A 113 3.855 1.426 10.454 1.00 0.00 H new ATOM 0 HA2 GLY A 113 5.353 -0.131 8.801 1.00 0.00 H new ATOM 0 HA3 GLY A 113 5.118 -0.439 10.511 1.00 0.00 H new ATOM 1808 N LYS A 114 2.650 -1.746 9.759 1.00 0.00 N ATOM 1809 CA LYS A 114 1.843 -2.935 9.516 1.00 0.00 C ATOM 1810 C LYS A 114 1.437 -3.027 8.049 1.00 0.00 C ATOM 1811 O LYS A 114 1.385 -4.115 7.475 1.00 0.00 O ATOM 1812 CB LYS A 114 0.595 -2.919 10.402 1.00 0.00 C ATOM 1813 CG LYS A 114 0.889 -3.157 11.873 1.00 0.00 C ATOM 1814 CD LYS A 114 -0.375 -3.486 12.649 1.00 0.00 C ATOM 1815 CE LYS A 114 -0.157 -3.360 14.149 1.00 0.00 C ATOM 1816 NZ LYS A 114 -1.437 -3.147 14.880 1.00 0.00 N ATOM 0 H LYS A 114 2.206 -1.051 10.359 1.00 0.00 H new ATOM 0 HA LYS A 114 2.445 -3.809 9.763 1.00 0.00 H new ATOM 0 HB2 LYS A 114 0.094 -1.957 10.291 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -0.099 -3.683 10.051 1.00 0.00 H new ATOM 0 HG2 LYS A 114 1.602 -3.975 11.975 1.00 0.00 H new ATOM 0 HG3 LYS A 114 1.358 -2.270 12.299 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -1.178 -2.817 12.339 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -0.696 -4.500 12.411 1.00 0.00 H new ATOM 0 HE2 LYS A 114 0.329 -4.262 14.522 1.00 0.00 H new ATOM 0 HE3 LYS A 114 0.518 -2.528 14.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -1.246 -3.066 15.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -1.888 -2.273 14.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -2.072 -3.953 14.710 1.00 0.00 H new ATOM 1830 N VAL A 115 1.150 -1.877 7.446 1.00 0.00 N ATOM 1831 CA VAL A 115 0.752 -1.827 6.045 1.00 0.00 C ATOM 1832 C VAL A 115 1.936 -2.107 5.126 1.00 0.00 C ATOM 1833 O VAL A 115 1.795 -2.774 4.101 1.00 0.00 O ATOM 1834 CB VAL A 115 0.146 -0.458 5.681 1.00 0.00 C ATOM 1835 CG1 VAL A 115 -0.383 -0.470 4.255 1.00 0.00 C ATOM 1836 CG2 VAL A 115 -0.954 -0.085 6.664 1.00 0.00 C ATOM 0 H VAL A 115 1.186 -0.968 7.907 1.00 0.00 H new ATOM 0 HA VAL A 115 -0.004 -2.599 5.904 1.00 0.00 H new ATOM 0 HB VAL A 115 0.930 0.296 5.745 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -0.807 0.505 4.016 1.00 0.00 H new ATOM 0 HG12 VAL A 115 0.433 -0.690 3.566 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -1.154 -1.234 4.159 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -1.371 0.885 6.392 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -1.740 -0.840 6.634 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -0.540 -0.033 7.671 1.00 0.00 H new ATOM 1846 N ILE A 116 3.102 -1.593 5.501 1.00 0.00 N ATOM 1847 CA ILE A 116 4.312 -1.789 4.711 1.00 0.00 C ATOM 1848 C ILE A 116 4.665 -3.268 4.604 1.00 0.00 C ATOM 1849 O ILE A 116 4.946 -3.772 3.517 1.00 0.00 O ATOM 1850 CB ILE A 116 5.508 -1.030 5.316 1.00 0.00 C ATOM 1851 CG1 ILE A 116 5.165 0.451 5.488 1.00 0.00 C ATOM 1852 CG2 ILE A 116 6.739 -1.195 4.437 1.00 0.00 C ATOM 1853 CD1 ILE A 116 6.273 1.257 6.130 1.00 0.00 C ATOM 0 H ILE A 116 3.235 -1.038 6.346 1.00 0.00 H new ATOM 0 HA ILE A 116 4.107 -1.394 3.716 1.00 0.00 H new ATOM 0 HB ILE A 116 5.727 -1.450 6.298 1.00 0.00 H new ATOM 0 HG12 ILE A 116 4.935 0.878 4.512 1.00 0.00 H new ATOM 0 HG13 ILE A 116 4.264 0.539 6.095 1.00 0.00 H new ATOM 0 HG21 ILE A 116 7.576 -0.653 4.877 1.00 0.00 H new ATOM 0 HG22 ILE A 116 6.992 -2.252 4.360 1.00 0.00 H new ATOM 0 HG23 ILE A 116 6.532 -0.798 3.443 1.00 0.00 H new ATOM 0 HD11 ILE A 116 5.961 2.297 6.221 1.00 0.00 H new ATOM 0 HD12 ILE A 116 6.488 0.855 7.120 1.00 0.00 H new ATOM 0 HD13 ILE A 116 7.169 1.200 5.512 1.00 0.00 H new ATOM 1865 N GLU A 117 4.646 -3.959 5.740 1.00 0.00 N ATOM 1866 CA GLU A 117 4.963 -5.382 5.772 1.00 0.00 C ATOM 1867 C GLU A 117 4.092 -6.157 4.788 1.00 0.00 C ATOM 1868 O GLU A 117 4.590 -6.963 4.000 1.00 0.00 O ATOM 1869 CB GLU A 117 4.772 -5.937 7.186 1.00 0.00 C ATOM 1870 CG GLU A 117 5.476 -7.264 7.418 1.00 0.00 C ATOM 1871 CD GLU A 117 4.609 -8.455 7.060 1.00 0.00 C ATOM 1872 OE1 GLU A 117 3.809 -8.343 6.108 1.00 0.00 O ATOM 1873 OE2 GLU A 117 4.731 -9.500 7.733 1.00 0.00 O ATOM 0 H GLU A 117 4.415 -3.557 6.649 1.00 0.00 H new ATOM 0 HA GLU A 117 6.006 -5.502 5.479 1.00 0.00 H new ATOM 0 HB2 GLU A 117 5.142 -5.208 7.907 1.00 0.00 H new ATOM 0 HB3 GLU A 117 3.706 -6.062 7.378 1.00 0.00 H new ATOM 0 HG2 GLU A 117 6.391 -7.294 6.826 1.00 0.00 H new ATOM 0 HG3 GLU A 117 5.771 -7.336 8.465 1.00 0.00 H new ATOM 1880 N THR A 118 2.787 -5.908 4.838 1.00 0.00 N ATOM 1881 CA THR A 118 1.845 -6.582 3.954 1.00 0.00 C ATOM 1882 C THR A 118 2.419 -6.729 2.549 1.00 0.00 C ATOM 1883 O THR A 118 2.402 -7.816 1.970 1.00 0.00 O ATOM 1884 CB THR A 118 0.508 -5.822 3.872 1.00 0.00 C ATOM 1885 OG1 THR A 118 -0.099 -5.759 5.168 1.00 0.00 O ATOM 1886 CG2 THR A 118 -0.441 -6.499 2.895 1.00 0.00 C ATOM 0 H THR A 118 2.358 -5.244 5.482 1.00 0.00 H new ATOM 0 HA THR A 118 1.667 -7.571 4.377 1.00 0.00 H new ATOM 0 HB THR A 118 0.711 -4.812 3.516 1.00 0.00 H new ATOM 0 HG1 THR A 118 0.395 -5.126 5.730 1.00 0.00 H new ATOM 0 HG21 THR A 118 -1.378 -5.944 2.854 1.00 0.00 H new ATOM 0 HG22 THR A 118 0.012 -6.520 1.904 1.00 0.00 H new ATOM 0 HG23 THR A 118 -0.637 -7.519 3.226 1.00 0.00 H new ATOM 1894 N LEU A 119 2.928 -5.629 2.005 1.00 0.00 N ATOM 1895 CA LEU A 119 3.509 -5.635 0.667 1.00 0.00 C ATOM 1896 C LEU A 119 4.767 -6.497 0.623 1.00 0.00 C ATOM 1897 O LEU A 119 4.934 -7.324 -0.273 1.00 0.00 O ATOM 1898 CB LEU A 119 3.839 -4.208 0.226 1.00 0.00 C ATOM 1899 CG LEU A 119 2.755 -3.160 0.477 1.00 0.00 C ATOM 1900 CD1 LEU A 119 3.264 -1.770 0.128 1.00 0.00 C ATOM 1901 CD2 LEU A 119 1.502 -3.487 -0.322 1.00 0.00 C ATOM 0 H LEU A 119 2.950 -4.721 2.470 1.00 0.00 H new ATOM 0 HA LEU A 119 2.776 -6.060 -0.018 1.00 0.00 H new ATOM 0 HB2 LEU A 119 4.747 -3.892 0.739 1.00 0.00 H new ATOM 0 HB3 LEU A 119 4.063 -4.221 -0.841 1.00 0.00 H new ATOM 0 HG LEU A 119 2.501 -3.175 1.537 1.00 0.00 H new ATOM 0 HD11 LEU A 119 2.478 -1.038 0.313 1.00 0.00 H new ATOM 0 HD12 LEU A 119 4.132 -1.535 0.744 1.00 0.00 H new ATOM 0 HD13 LEU A 119 3.547 -1.740 -0.924 1.00 0.00 H new ATOM 0 HD21 LEU A 119 0.741 -2.730 -0.131 1.00 0.00 H new ATOM 0 HD22 LEU A 119 1.742 -3.500 -1.385 1.00 0.00 H new ATOM 0 HD23 LEU A 119 1.125 -4.465 -0.023 1.00 0.00 H new ATOM 1913 N SER A 120 5.648 -6.298 1.598 1.00 0.00 N ATOM 1914 CA SER A 120 6.892 -7.056 1.671 1.00 0.00 C ATOM 1915 C SER A 120 6.641 -8.538 1.405 1.00 0.00 C ATOM 1916 O SER A 120 7.447 -9.209 0.760 1.00 0.00 O ATOM 1917 CB SER A 120 7.545 -6.875 3.042 1.00 0.00 C ATOM 1918 OG SER A 120 7.066 -7.837 3.966 1.00 0.00 O ATOM 0 H SER A 120 5.524 -5.618 2.348 1.00 0.00 H new ATOM 0 HA SER A 120 7.566 -6.676 0.903 1.00 0.00 H new ATOM 0 HB2 SER A 120 8.627 -6.964 2.947 1.00 0.00 H new ATOM 0 HB3 SER A 120 7.339 -5.872 3.417 1.00 0.00 H new ATOM 0 HG SER A 120 6.093 -7.757 4.046 1.00 0.00 H new ATOM 1924 N ARG A 121 5.519 -9.041 1.909 1.00 0.00 N ATOM 1925 CA ARG A 121 5.162 -10.443 1.728 1.00 0.00 C ATOM 1926 C ARG A 121 4.616 -10.688 0.324 1.00 0.00 C ATOM 1927 O ARG A 121 5.172 -11.478 -0.441 1.00 0.00 O ATOM 1928 CB ARG A 121 4.125 -10.866 2.770 1.00 0.00 C ATOM 1929 CG ARG A 121 4.598 -10.692 4.205 1.00 0.00 C ATOM 1930 CD ARG A 121 3.533 -11.128 5.199 1.00 0.00 C ATOM 1931 NE ARG A 121 3.622 -12.554 5.505 1.00 0.00 N ATOM 1932 CZ ARG A 121 4.657 -13.109 6.125 1.00 0.00 C ATOM 1933 NH1 ARG A 121 5.686 -12.362 6.504 1.00 0.00 N ATOM 1934 NH2 ARG A 121 4.665 -14.413 6.369 1.00 0.00 N ATOM 0 H ARG A 121 4.842 -8.499 2.446 1.00 0.00 H new ATOM 0 HA ARG A 121 6.064 -11.041 1.859 1.00 0.00 H new ATOM 0 HB2 ARG A 121 3.216 -10.283 2.623 1.00 0.00 H new ATOM 0 HB3 ARG A 121 3.864 -11.911 2.607 1.00 0.00 H new ATOM 0 HG2 ARG A 121 5.505 -11.275 4.363 1.00 0.00 H new ATOM 0 HG3 ARG A 121 4.855 -9.647 4.380 1.00 0.00 H new ATOM 0 HD2 ARG A 121 3.638 -10.552 6.119 1.00 0.00 H new ATOM 0 HD3 ARG A 121 2.546 -10.905 4.794 1.00 0.00 H new ATOM 0 HE ARG A 121 2.847 -13.156 5.227 1.00 0.00 H new ATOM 0 HH11 ARG A 121 5.683 -11.359 6.319 1.00 0.00 H new ATOM 0 HH12 ARG A 121 6.480 -12.791 6.980 1.00 0.00 H new ATOM 0 HH21 ARG A 121 3.876 -14.991 6.080 1.00 0.00 H new ATOM 0 HH22 ARG A 121 5.461 -14.838 6.845 1.00 0.00 H new ATOM 1948 N LEU A 122 3.525 -10.008 -0.008 1.00 0.00 N ATOM 1949 CA LEU A 122 2.903 -10.152 -1.320 1.00 0.00 C ATOM 1950 C LEU A 122 3.960 -10.274 -2.413 1.00 0.00 C ATOM 1951 O LEU A 122 3.814 -11.064 -3.346 1.00 0.00 O ATOM 1952 CB LEU A 122 1.992 -8.957 -1.608 1.00 0.00 C ATOM 1953 CG LEU A 122 1.726 -8.656 -3.084 1.00 0.00 C ATOM 1954 CD1 LEU A 122 0.874 -9.750 -3.707 1.00 0.00 C ATOM 1955 CD2 LEU A 122 1.054 -7.300 -3.238 1.00 0.00 C ATOM 0 H LEU A 122 3.052 -9.351 0.613 1.00 0.00 H new ATOM 0 HA LEU A 122 2.306 -11.064 -1.314 1.00 0.00 H new ATOM 0 HB2 LEU A 122 1.035 -9.128 -1.115 1.00 0.00 H new ATOM 0 HB3 LEU A 122 2.433 -8.071 -1.151 1.00 0.00 H new ATOM 0 HG LEU A 122 2.682 -8.627 -3.608 1.00 0.00 H new ATOM 0 HD11 LEU A 122 0.695 -9.518 -4.757 1.00 0.00 H new ATOM 0 HD12 LEU A 122 1.394 -10.705 -3.629 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -0.079 -9.812 -3.182 1.00 0.00 H new ATOM 0 HD21 LEU A 122 0.872 -7.102 -4.294 1.00 0.00 H new ATOM 0 HD22 LEU A 122 0.106 -7.301 -2.700 1.00 0.00 H new ATOM 0 HD23 LEU A 122 1.702 -6.524 -2.830 1.00 0.00 H new ATOM 1967 N SER A 123 5.026 -9.489 -2.290 1.00 0.00 N ATOM 1968 CA SER A 123 6.107 -9.509 -3.268 1.00 0.00 C ATOM 1969 C SER A 123 6.479 -10.941 -3.637 1.00 0.00 C ATOM 1970 O SER A 123 6.654 -11.266 -4.812 1.00 0.00 O ATOM 1971 CB SER A 123 7.333 -8.776 -2.719 1.00 0.00 C ATOM 1972 OG SER A 123 7.943 -9.515 -1.675 1.00 0.00 O ATOM 0 H SER A 123 5.164 -8.831 -1.523 1.00 0.00 H new ATOM 0 HA SER A 123 5.760 -8.999 -4.167 1.00 0.00 H new ATOM 0 HB2 SER A 123 8.052 -8.612 -3.521 1.00 0.00 H new ATOM 0 HB3 SER A 123 7.038 -7.794 -2.350 1.00 0.00 H new ATOM 0 HG SER A 123 7.423 -9.408 -0.851 1.00 0.00 H new ATOM 1978 N ARG A 124 6.599 -11.795 -2.625 1.00 0.00 N ATOM 1979 CA ARG A 124 6.952 -13.192 -2.842 1.00 0.00 C ATOM 1980 C ARG A 124 6.122 -13.793 -3.973 1.00 0.00 C ATOM 1981 O ARG A 124 6.613 -14.613 -4.751 1.00 0.00 O ATOM 1982 CB ARG A 124 6.744 -13.998 -1.559 1.00 0.00 C ATOM 1983 CG ARG A 124 5.303 -14.428 -1.336 1.00 0.00 C ATOM 1984 CD ARG A 124 5.210 -15.574 -0.341 1.00 0.00 C ATOM 1985 NE ARG A 124 3.841 -15.790 0.118 1.00 0.00 N ATOM 1986 CZ ARG A 124 3.302 -15.151 1.150 1.00 0.00 C ATOM 1987 NH1 ARG A 124 4.013 -14.259 1.826 1.00 0.00 N ATOM 1988 NH2 ARG A 124 2.049 -15.403 1.507 1.00 0.00 N ATOM 0 H ARG A 124 6.457 -11.543 -1.647 1.00 0.00 H new ATOM 0 HA ARG A 124 8.004 -13.235 -3.124 1.00 0.00 H new ATOM 0 HB2 ARG A 124 7.378 -14.884 -1.590 1.00 0.00 H new ATOM 0 HB3 ARG A 124 7.072 -13.401 -0.708 1.00 0.00 H new ATOM 0 HG2 ARG A 124 4.722 -13.581 -0.972 1.00 0.00 H new ATOM 0 HG3 ARG A 124 4.862 -14.733 -2.285 1.00 0.00 H new ATOM 0 HD2 ARG A 124 5.586 -16.487 -0.803 1.00 0.00 H new ATOM 0 HD3 ARG A 124 5.851 -15.363 0.515 1.00 0.00 H new ATOM 0 HE ARG A 124 3.267 -16.469 -0.381 1.00 0.00 H new ATOM 0 HH11 ARG A 124 4.976 -14.062 1.554 1.00 0.00 H new ATOM 0 HH12 ARG A 124 3.597 -13.770 2.618 1.00 0.00 H new ATOM 0 HH21 ARG A 124 1.499 -16.088 0.989 1.00 0.00 H new ATOM 0 HH22 ARG A 124 1.636 -14.912 2.300 1.00 0.00 H new ATOM 2002 N THR A 125 4.861 -13.381 -4.059 1.00 0.00 N ATOM 2003 CA THR A 125 3.963 -13.879 -5.093 1.00 0.00 C ATOM 2004 C THR A 125 4.643 -13.881 -6.458 1.00 0.00 C ATOM 2005 O THR A 125 5.471 -13.025 -6.767 1.00 0.00 O ATOM 2006 CB THR A 125 2.677 -13.036 -5.174 1.00 0.00 C ATOM 2007 OG1 THR A 125 2.994 -11.695 -5.566 1.00 0.00 O ATOM 2008 CG2 THR A 125 1.955 -13.020 -3.835 1.00 0.00 C ATOM 0 H THR A 125 4.439 -12.703 -3.424 1.00 0.00 H new ATOM 0 HA THR A 125 3.702 -14.901 -4.819 1.00 0.00 H new ATOM 0 HB THR A 125 2.020 -13.487 -5.918 1.00 0.00 H new ATOM 0 HG1 THR A 125 3.116 -11.141 -4.767 1.00 0.00 H new ATOM 0 HG21 THR A 125 1.050 -12.418 -3.917 1.00 0.00 H new ATOM 0 HG22 THR A 125 1.689 -14.039 -3.553 1.00 0.00 H new ATOM 0 HG23 THR A 125 2.608 -12.591 -3.075 1.00 0.00 H new ATOM 2016 N PRO A 126 4.286 -14.866 -7.296 1.00 0.00 N ATOM 2017 CA PRO A 126 4.849 -15.002 -8.642 1.00 0.00 C ATOM 2018 C PRO A 126 4.377 -13.898 -9.582 1.00 0.00 C ATOM 2019 O PRO A 126 4.751 -13.867 -10.755 1.00 0.00 O ATOM 2020 CB PRO A 126 4.324 -16.362 -9.110 1.00 0.00 C ATOM 2021 CG PRO A 126 3.075 -16.576 -8.328 1.00 0.00 C ATOM 2022 CD PRO A 126 3.304 -15.921 -6.994 1.00 0.00 C ATOM 0 HA PRO A 126 5.936 -14.927 -8.638 1.00 0.00 H new ATOM 0 HB2 PRO A 126 4.125 -16.362 -10.182 1.00 0.00 H new ATOM 0 HB3 PRO A 126 5.050 -17.153 -8.921 1.00 0.00 H new ATOM 0 HG2 PRO A 126 2.216 -16.137 -8.836 1.00 0.00 H new ATOM 0 HG3 PRO A 126 2.866 -17.639 -8.210 1.00 0.00 H new ATOM 0 HD2 PRO A 126 2.382 -15.507 -6.586 1.00 0.00 H new ATOM 0 HD3 PRO A 126 3.688 -16.629 -6.259 1.00 0.00 H new ATOM 2030 N ILE A 127 3.557 -12.993 -9.060 1.00 0.00 N ATOM 2031 CA ILE A 127 3.037 -11.886 -9.853 1.00 0.00 C ATOM 2032 C ILE A 127 3.900 -10.640 -9.691 1.00 0.00 C ATOM 2033 O ILE A 127 4.230 -9.969 -10.669 1.00 0.00 O ATOM 2034 CB ILE A 127 1.586 -11.546 -9.461 1.00 0.00 C ATOM 2035 CG1 ILE A 127 0.673 -12.749 -9.706 1.00 0.00 C ATOM 2036 CG2 ILE A 127 1.097 -10.335 -10.242 1.00 0.00 C ATOM 2037 CD1 ILE A 127 0.539 -13.660 -8.507 1.00 0.00 C ATOM 0 H ILE A 127 3.238 -13.004 -8.091 1.00 0.00 H new ATOM 0 HA ILE A 127 3.059 -12.207 -10.895 1.00 0.00 H new ATOM 0 HB ILE A 127 1.559 -11.304 -8.398 1.00 0.00 H new ATOM 0 HG12 ILE A 127 -0.316 -12.392 -9.993 1.00 0.00 H new ATOM 0 HG13 ILE A 127 1.061 -13.324 -10.547 1.00 0.00 H new ATOM 0 HG21 ILE A 127 0.071 -10.107 -9.955 1.00 0.00 H new ATOM 0 HG22 ILE A 127 1.734 -9.479 -10.022 1.00 0.00 H new ATOM 0 HG23 ILE A 127 1.135 -10.551 -11.310 1.00 0.00 H new ATOM 0 HD11 ILE A 127 -0.122 -14.491 -8.753 1.00 0.00 H new ATOM 0 HD12 ILE A 127 1.520 -14.047 -8.232 1.00 0.00 H new ATOM 0 HD13 ILE A 127 0.122 -13.100 -7.670 1.00 0.00 H new ATOM 2049 N ALA A 128 4.265 -10.336 -8.449 1.00 0.00 N ATOM 2050 CA ALA A 128 5.094 -9.173 -8.159 1.00 0.00 C ATOM 2051 C ALA A 128 6.496 -9.341 -8.735 1.00 0.00 C ATOM 2052 O ALA A 128 7.038 -8.424 -9.355 1.00 0.00 O ATOM 2053 CB ALA A 128 5.163 -8.936 -6.658 1.00 0.00 C ATOM 0 H ALA A 128 3.999 -10.880 -7.628 1.00 0.00 H new ATOM 0 HA ALA A 128 4.637 -8.304 -8.633 1.00 0.00 H new ATOM 0 HB1 ALA A 128 5.785 -8.064 -6.456 1.00 0.00 H new ATOM 0 HB2 ALA A 128 4.159 -8.763 -6.270 1.00 0.00 H new ATOM 0 HB3 ALA A 128 5.594 -9.811 -6.171 1.00 0.00 H new ATOM 2059 N LEU A 129 7.080 -10.516 -8.527 1.00 0.00 N ATOM 2060 CA LEU A 129 8.420 -10.804 -9.025 1.00 0.00 C ATOM 2061 C LEU A 129 8.435 -10.854 -10.550 1.00 0.00 C ATOM 2062 O LEU A 129 9.385 -10.398 -11.186 1.00 0.00 O ATOM 2063 CB LEU A 129 8.923 -12.131 -8.455 1.00 0.00 C ATOM 2064 CG LEU A 129 8.816 -12.294 -6.939 1.00 0.00 C ATOM 2065 CD1 LEU A 129 9.156 -13.719 -6.529 1.00 0.00 C ATOM 2066 CD2 LEU A 129 9.727 -11.302 -6.230 1.00 0.00 C ATOM 0 H LEU A 129 6.646 -11.285 -8.016 1.00 0.00 H new ATOM 0 HA LEU A 129 9.082 -10.002 -8.699 1.00 0.00 H new ATOM 0 HB2 LEU A 129 8.367 -12.940 -8.927 1.00 0.00 H new ATOM 0 HB3 LEU A 129 9.968 -12.253 -8.741 1.00 0.00 H new ATOM 0 HG LEU A 129 7.787 -12.088 -6.643 1.00 0.00 H new ATOM 0 HD11 LEU A 129 9.074 -13.815 -5.446 1.00 0.00 H new ATOM 0 HD12 LEU A 129 8.463 -14.411 -7.008 1.00 0.00 H new ATOM 0 HD13 LEU A 129 10.175 -13.953 -6.838 1.00 0.00 H new ATOM 0 HD21 LEU A 129 9.638 -11.433 -5.152 1.00 0.00 H new ATOM 0 HD22 LEU A 129 10.760 -11.476 -6.532 1.00 0.00 H new ATOM 0 HD23 LEU A 129 9.437 -10.286 -6.498 1.00 0.00 H new ATOM 2078 N ALA A 130 7.375 -11.408 -11.129 1.00 0.00 N ATOM 2079 CA ALA A 130 7.265 -11.514 -12.579 1.00 0.00 C ATOM 2080 C ALA A 130 7.713 -10.224 -13.258 1.00 0.00 C ATOM 2081 O ALA A 130 8.470 -10.252 -14.229 1.00 0.00 O ATOM 2082 CB ALA A 130 5.836 -11.853 -12.976 1.00 0.00 C ATOM 0 H ALA A 130 6.580 -11.790 -10.616 1.00 0.00 H new ATOM 0 HA ALA A 130 7.923 -12.317 -12.912 1.00 0.00 H new ATOM 0 HB1 ALA A 130 5.768 -11.929 -14.061 1.00 0.00 H new ATOM 0 HB2 ALA A 130 5.549 -12.804 -12.527 1.00 0.00 H new ATOM 0 HB3 ALA A 130 5.165 -11.069 -12.625 1.00 0.00 H new ATOM 2088 N THR A 131 7.240 -9.094 -12.743 1.00 0.00 N ATOM 2089 CA THR A 131 7.590 -7.794 -13.302 1.00 0.00 C ATOM 2090 C THR A 131 9.099 -7.575 -13.280 1.00 0.00 C ATOM 2091 O THR A 131 9.657 -6.944 -14.177 1.00 0.00 O ATOM 2092 CB THR A 131 6.905 -6.649 -12.532 1.00 0.00 C ATOM 2093 OG1 THR A 131 7.443 -6.558 -11.208 1.00 0.00 O ATOM 2094 CG2 THR A 131 5.402 -6.868 -12.460 1.00 0.00 C ATOM 0 H THR A 131 6.613 -9.053 -11.939 1.00 0.00 H new ATOM 0 HA THR A 131 7.240 -7.788 -14.334 1.00 0.00 H new ATOM 0 HB THR A 131 7.095 -5.718 -13.066 1.00 0.00 H new ATOM 0 HG1 THR A 131 7.384 -7.433 -10.770 1.00 0.00 H new ATOM 0 HG21 THR A 131 4.941 -6.047 -11.912 1.00 0.00 H new ATOM 0 HG22 THR A 131 4.991 -6.907 -13.469 1.00 0.00 H new ATOM 0 HG23 THR A 131 5.195 -7.808 -11.948 1.00 0.00 H new ATOM 2102 N GLY A 132 9.754 -8.100 -12.249 1.00 0.00 N ATOM 2103 CA GLY A 132 11.193 -7.951 -12.131 1.00 0.00 C ATOM 2104 C GLY A 132 11.584 -6.737 -11.312 1.00 0.00 C ATOM 2105 O GLY A 132 12.667 -6.180 -11.495 1.00 0.00 O ATOM 0 H GLY A 132 9.314 -8.626 -11.494 1.00 0.00 H new ATOM 0 HA2 GLY A 132 11.612 -8.846 -11.671 1.00 0.00 H new ATOM 0 HA3 GLY A 132 11.630 -7.870 -13.126 1.00 0.00 H new ATOM 2109 N ILE A 133 10.702 -6.325 -10.409 1.00 0.00 N ATOM 2110 CA ILE A 133 10.961 -5.169 -9.560 1.00 0.00 C ATOM 2111 C ILE A 133 11.762 -5.563 -8.324 1.00 0.00 C ATOM 2112 O ILE A 133 11.521 -6.610 -7.723 1.00 0.00 O ATOM 2113 CB ILE A 133 9.652 -4.491 -9.115 1.00 0.00 C ATOM 2114 CG1 ILE A 133 8.849 -4.034 -10.335 1.00 0.00 C ATOM 2115 CG2 ILE A 133 9.949 -3.315 -8.198 1.00 0.00 C ATOM 2116 CD1 ILE A 133 7.379 -3.822 -10.045 1.00 0.00 C ATOM 0 H ILE A 133 9.801 -6.775 -10.246 1.00 0.00 H new ATOM 0 HA ILE A 133 11.540 -4.464 -10.156 1.00 0.00 H new ATOM 0 HB ILE A 133 9.055 -5.215 -8.561 1.00 0.00 H new ATOM 0 HG12 ILE A 133 9.274 -3.104 -10.713 1.00 0.00 H new ATOM 0 HG13 ILE A 133 8.952 -4.776 -11.127 1.00 0.00 H new ATOM 0 HG21 ILE A 133 9.013 -2.847 -7.892 1.00 0.00 H new ATOM 0 HG22 ILE A 133 10.484 -3.667 -7.316 1.00 0.00 H new ATOM 0 HG23 ILE A 133 10.563 -2.587 -8.728 1.00 0.00 H new ATOM 0 HD11 ILE A 133 6.872 -3.499 -10.954 1.00 0.00 H new ATOM 0 HD12 ILE A 133 6.939 -4.756 -9.696 1.00 0.00 H new ATOM 0 HD13 ILE A 133 7.266 -3.058 -9.276 1.00 0.00 H new ATOM 2128 N ARG A 134 12.716 -4.716 -7.949 1.00 0.00 N ATOM 2129 CA ARG A 134 13.552 -4.976 -6.783 1.00 0.00 C ATOM 2130 C ARG A 134 12.747 -5.648 -5.675 1.00 0.00 C ATOM 2131 O ARG A 134 12.030 -5.000 -4.913 1.00 0.00 O ATOM 2132 CB ARG A 134 14.161 -3.671 -6.265 1.00 0.00 C ATOM 2133 CG ARG A 134 15.001 -2.939 -7.299 1.00 0.00 C ATOM 2134 CD ARG A 134 16.440 -3.432 -7.298 1.00 0.00 C ATOM 2135 NE ARG A 134 17.222 -2.834 -6.219 1.00 0.00 N ATOM 2136 CZ ARG A 134 18.542 -2.947 -6.119 1.00 0.00 C ATOM 2137 NH1 ARG A 134 19.223 -3.631 -7.027 1.00 0.00 N ATOM 2138 NH2 ARG A 134 19.183 -2.374 -5.108 1.00 0.00 N ATOM 0 H ARG A 134 12.929 -3.845 -8.435 1.00 0.00 H new ATOM 0 HA ARG A 134 14.354 -5.650 -7.085 1.00 0.00 H new ATOM 0 HB2 ARG A 134 13.359 -3.014 -5.929 1.00 0.00 H new ATOM 0 HB3 ARG A 134 14.780 -3.889 -5.395 1.00 0.00 H new ATOM 0 HG2 ARG A 134 14.567 -3.081 -8.289 1.00 0.00 H new ATOM 0 HG3 ARG A 134 14.982 -1.869 -7.093 1.00 0.00 H new ATOM 0 HD2 ARG A 134 16.451 -4.517 -7.196 1.00 0.00 H new ATOM 0 HD3 ARG A 134 16.904 -3.197 -8.256 1.00 0.00 H new ATOM 0 HE ARG A 134 16.728 -2.301 -5.503 1.00 0.00 H new ATOM 0 HH11 ARG A 134 18.734 -4.073 -7.806 1.00 0.00 H new ATOM 0 HH12 ARG A 134 20.236 -3.716 -6.947 1.00 0.00 H new ATOM 0 HH21 ARG A 134 18.662 -1.847 -4.407 1.00 0.00 H new ATOM 0 HH22 ARG A 134 20.196 -2.461 -5.032 1.00 0.00 H new ATOM 2152 N PRO A 135 12.867 -6.981 -5.582 1.00 0.00 N ATOM 2153 CA PRO A 135 12.159 -7.771 -4.570 1.00 0.00 C ATOM 2154 C PRO A 135 12.694 -7.526 -3.164 1.00 0.00 C ATOM 2155 O PRO A 135 13.901 -7.389 -2.963 1.00 0.00 O ATOM 2156 CB PRO A 135 12.424 -9.216 -4.999 1.00 0.00 C ATOM 2157 CG PRO A 135 13.699 -9.156 -5.766 1.00 0.00 C ATOM 2158 CD PRO A 135 13.705 -7.819 -6.456 1.00 0.00 C ATOM 0 HA PRO A 135 11.101 -7.514 -4.519 1.00 0.00 H new ATOM 0 HB2 PRO A 135 12.512 -9.875 -4.136 1.00 0.00 H new ATOM 0 HB3 PRO A 135 11.610 -9.602 -5.613 1.00 0.00 H new ATOM 0 HG2 PRO A 135 14.558 -9.257 -5.103 1.00 0.00 H new ATOM 0 HG3 PRO A 135 13.758 -9.969 -6.490 1.00 0.00 H new ATOM 0 HD2 PRO A 135 14.715 -7.419 -6.549 1.00 0.00 H new ATOM 0 HD3 PRO A 135 13.295 -7.885 -7.464 1.00 0.00 H new