USER MOD reduce.3.24.130724 H: found=0, std=0, add=783, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 784 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 69 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 73 HIS : no HE2:sc= -1.59 K(o=-1.6,f=-5.4!) USER MOD Set 2.1: A 50 SER OG : rot 180:sc= 0.109 USER MOD Set 2.2: A 53 GLN : amide:sc= 0.676 K(o=0.78,f=-3.1!) USER MOD Set 3.1: A 43 THR OG1 : rot -73:sc= 0.0688 USER MOD Set 3.2: A 44 HIS : no HE2:sc= 0.212 K(o=-0.32,f=-2.7!) USER MOD Set 3.3: A 49 TYR OH : rot 50:sc= -0.6 USER MOD Set 4.1: A 9 MET CE :methyl 172:sc= 0 (180deg=-0.0639) USER MOD Set 4.2: A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 GLN : amide:sc= -0.15 K(o=-0.15,f=-0.92) USER MOD Single : A 13 SER OG : rot 180:sc=-0.00556 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= -0.025 USER MOD Single : A 19 HIS :FLIP no HE2:sc= 0.131 F(o=-0.81,f=0.13) USER MOD Single : A 22 MET CE :methyl -124:sc= 0 (180deg=-0.181) USER MOD Single : A 30 MET CE :methyl 155:sc= -0.0815 (180deg=-0.777) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 HIS : no HD1:sc= 0 X(o=0,f=-0.049) USER MOD Single : A 56 ASN : amide:sc= 0.539 K(o=0.54,f=0) USER MOD Single : A 57 HIS : no HD1:sc= -0.433 X(o=-0.43,f=-0.033) USER MOD Single : A 61 THR OG1 : rot 180:sc=-0.00937 USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 HIS : no HD1:sc= -0.0703 X(o=-0.07,f=0) USER MOD Single : A 89 MET CE :methyl 180:sc= -0.541 (180deg=-0.541) USER MOD Single : A 91 GLN : amide:sc= 0.651 K(o=0.65,f=-0.4) USER MOD Single : A 92 THR OG1 : rot -67:sc= 1.36 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 15:sc= 0.592 USER MOD Single : A 101 SER OG : rot 65:sc= 1.21 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0.0044 USER MOD ----------------------------------------------------------------- ATOM 76 N VAL A 6 7.069 30.290 33.028 1.00 1.00 N ATOM 77 CA VAL A 6 6.734 29.398 31.931 1.00 1.00 C ATOM 78 C VAL A 6 5.506 28.639 32.408 1.00 1.00 C ATOM 79 O VAL A 6 5.293 28.495 33.614 1.00 1.00 O ATOM 80 CB VAL A 6 7.802 28.346 31.580 1.00 1.00 C ATOM 81 CG1 VAL A 6 8.988 29.006 30.856 1.00 1.00 C ATOM 82 CG2 VAL A 6 8.297 27.583 32.828 1.00 1.00 C ATOM 0 HA VAL A 6 6.610 30.005 31.034 1.00 1.00 H new ATOM 0 HB VAL A 6 7.334 27.619 30.915 1.00 1.00 H new ATOM 0 HG11 VAL A 6 9.734 28.249 30.615 1.00 1.00 H new ATOM 0 HG12 VAL A 6 8.638 29.476 29.937 1.00 1.00 H new ATOM 0 HG13 VAL A 6 9.434 29.762 31.502 1.00 1.00 H new ATOM 0 HG21 VAL A 6 9.049 26.851 32.533 1.00 1.00 H new ATOM 0 HG22 VAL A 6 8.734 28.288 33.536 1.00 1.00 H new ATOM 0 HG23 VAL A 6 7.458 27.071 33.298 1.00 1.00 H new ATOM 92 N ILE A 7 4.663 28.120 31.497 1.00 1.00 N ATOM 93 CA ILE A 7 3.694 27.080 31.811 1.00 1.00 C ATOM 94 C ILE A 7 3.888 25.977 30.787 1.00 1.00 C ATOM 95 O ILE A 7 3.729 26.211 29.592 1.00 1.00 O ATOM 96 CB ILE A 7 2.230 27.543 31.763 1.00 1.00 C ATOM 97 CG1 ILE A 7 1.998 28.773 32.677 1.00 1.00 C ATOM 98 CG2 ILE A 7 1.303 26.366 32.163 1.00 1.00 C ATOM 99 CD1 ILE A 7 0.587 29.366 32.564 1.00 1.00 C ATOM 0 H ILE A 7 4.643 28.418 30.522 1.00 1.00 H new ATOM 0 HA ILE A 7 3.872 26.758 32.837 1.00 1.00 H new ATOM 0 HB ILE A 7 1.992 27.852 30.745 1.00 1.00 H new ATOM 0 HG12 ILE A 7 2.180 28.485 33.712 1.00 1.00 H new ATOM 0 HG13 ILE A 7 2.728 29.543 32.427 1.00 1.00 H new ATOM 0 HG21 ILE A 7 0.264 26.694 32.129 1.00 1.00 H new ATOM 0 HG22 ILE A 7 1.445 25.538 31.468 1.00 1.00 H new ATOM 0 HG23 ILE A 7 1.547 26.038 33.173 1.00 1.00 H new ATOM 0 HD11 ILE A 7 0.498 30.223 33.232 1.00 1.00 H new ATOM 0 HD12 ILE A 7 0.408 29.686 31.537 1.00 1.00 H new ATOM 0 HD13 ILE A 7 -0.148 28.611 32.842 1.00 1.00 H new ATOM 111 N GLU A 8 4.221 24.740 31.216 1.00 1.00 N ATOM 112 CA GLU A 8 4.206 23.576 30.338 1.00 1.00 C ATOM 113 C GLU A 8 3.043 22.695 30.759 1.00 1.00 C ATOM 114 O GLU A 8 3.058 22.114 31.845 1.00 1.00 O ATOM 115 CB GLU A 8 5.515 22.735 30.396 1.00 1.00 C ATOM 116 CG GLU A 8 6.811 23.539 30.113 1.00 1.00 C ATOM 117 CD GLU A 8 7.994 22.642 29.790 1.00 1.00 C ATOM 118 OE1 GLU A 8 8.322 21.727 30.594 1.00 1.00 O ATOM 119 OE2 GLU A 8 8.627 22.840 28.713 1.00 1.00 O ATOM 0 H GLU A 8 4.504 24.533 32.174 1.00 1.00 H new ATOM 0 HA GLU A 8 4.111 23.936 29.314 1.00 1.00 H new ATOM 0 HB2 GLU A 8 5.594 22.278 31.382 1.00 1.00 H new ATOM 0 HB3 GLU A 8 5.442 21.922 29.673 1.00 1.00 H new ATOM 0 HG2 GLU A 8 6.637 24.220 29.280 1.00 1.00 H new ATOM 0 HG3 GLU A 8 7.051 24.153 30.981 1.00 1.00 H new ATOM 126 N MET A 9 1.979 22.587 29.942 1.00 1.00 N ATOM 127 CA MET A 9 0.780 21.881 30.348 1.00 1.00 C ATOM 128 C MET A 9 0.161 21.138 29.177 1.00 1.00 C ATOM 129 O MET A 9 -0.238 21.733 28.178 1.00 1.00 O ATOM 130 CB MET A 9 -0.232 22.884 30.960 1.00 1.00 C ATOM 131 CG MET A 9 -1.499 22.239 31.550 1.00 1.00 C ATOM 132 SD MET A 9 -2.519 23.357 32.561 1.00 1.00 S ATOM 133 CE MET A 9 -3.182 24.344 31.190 1.00 1.00 C ATOM 0 H MET A 9 1.938 22.983 29.003 1.00 1.00 H new ATOM 0 HA MET A 9 1.048 21.141 31.102 1.00 1.00 H new ATOM 0 HB2 MET A 9 0.269 23.452 31.744 1.00 1.00 H new ATOM 0 HB3 MET A 9 -0.528 23.596 30.190 1.00 1.00 H new ATOM 0 HG2 MET A 9 -2.108 21.852 30.733 1.00 1.00 H new ATOM 0 HG3 MET A 9 -1.205 21.385 32.160 1.00 1.00 H new ATOM 0 HE1 MET A 9 -3.955 25.015 31.565 1.00 1.00 H new ATOM 0 HE2 MET A 9 -2.379 24.930 30.742 1.00 1.00 H new ATOM 0 HE3 MET A 9 -3.610 23.681 30.438 1.00 1.00 H new ATOM 143 N GLN A 10 0.061 19.798 29.285 1.00 1.00 N ATOM 144 CA GLN A 10 -0.594 18.908 28.339 1.00 1.00 C ATOM 145 C GLN A 10 -0.124 18.990 26.893 1.00 1.00 C ATOM 146 O GLN A 10 -0.920 18.993 25.955 1.00 1.00 O ATOM 147 CB GLN A 10 -2.144 18.977 28.427 1.00 1.00 C ATOM 148 CG GLN A 10 -2.719 18.730 29.843 1.00 1.00 C ATOM 149 CD GLN A 10 -2.274 17.388 30.423 1.00 1.00 C ATOM 150 OE1 GLN A 10 -1.919 16.440 29.716 1.00 1.00 O ATOM 151 NE2 GLN A 10 -2.276 17.296 31.772 1.00 1.00 N ATOM 0 H GLN A 10 0.458 19.294 30.078 1.00 1.00 H new ATOM 0 HA GLN A 10 -0.264 17.925 28.675 1.00 1.00 H new ATOM 0 HB2 GLN A 10 -2.471 19.958 28.082 1.00 1.00 H new ATOM 0 HB3 GLN A 10 -2.567 18.241 27.743 1.00 1.00 H new ATOM 0 HG2 GLN A 10 -2.401 19.534 30.507 1.00 1.00 H new ATOM 0 HG3 GLN A 10 -3.808 18.762 29.802 1.00 1.00 H new ATOM 0 HE21 GLN A 10 -2.573 18.092 32.337 1.00 1.00 H new ATOM 0 HE22 GLN A 10 -1.980 16.431 32.225 1.00 1.00 H new ATOM 160 N GLY A 11 1.203 19.018 26.671 1.00 1.00 N ATOM 161 CA GLY A 11 1.806 19.068 25.343 1.00 1.00 C ATOM 162 C GLY A 11 1.876 20.456 24.770 1.00 1.00 C ATOM 163 O GLY A 11 2.254 20.635 23.615 1.00 1.00 O ATOM 0 H GLY A 11 1.889 19.006 27.426 1.00 1.00 H new ATOM 0 HA2 GLY A 11 2.813 18.653 25.393 1.00 1.00 H new ATOM 0 HA3 GLY A 11 1.233 18.433 24.668 1.00 1.00 H new ATOM 167 N LEU A 12 1.510 21.477 25.561 1.00 1.00 N ATOM 168 CA LEU A 12 1.544 22.866 25.162 1.00 1.00 C ATOM 169 C LEU A 12 2.418 23.642 26.132 1.00 1.00 C ATOM 170 O LEU A 12 2.222 23.590 27.345 1.00 1.00 O ATOM 171 CB LEU A 12 0.106 23.443 25.183 1.00 1.00 C ATOM 172 CG LEU A 12 -0.077 24.805 24.482 1.00 1.00 C ATOM 173 CD1 LEU A 12 0.100 24.700 22.959 1.00 1.00 C ATOM 174 CD2 LEU A 12 -1.461 25.387 24.803 1.00 1.00 C ATOM 0 H LEU A 12 1.177 21.341 26.515 1.00 1.00 H new ATOM 0 HA LEU A 12 1.952 22.950 24.155 1.00 1.00 H new ATOM 0 HB2 LEU A 12 -0.563 22.721 24.714 1.00 1.00 H new ATOM 0 HB3 LEU A 12 -0.211 23.544 26.221 1.00 1.00 H new ATOM 0 HG LEU A 12 0.699 25.470 24.862 1.00 1.00 H new ATOM 0 HD11 LEU A 12 -0.038 25.683 22.508 1.00 1.00 H new ATOM 0 HD12 LEU A 12 1.102 24.334 22.733 1.00 1.00 H new ATOM 0 HD13 LEU A 12 -0.638 24.008 22.554 1.00 1.00 H new ATOM 0 HD21 LEU A 12 -1.577 26.348 24.302 1.00 1.00 H new ATOM 0 HD22 LEU A 12 -2.234 24.701 24.455 1.00 1.00 H new ATOM 0 HD23 LEU A 12 -1.557 25.525 25.880 1.00 1.00 H new ATOM 186 N SER A 13 3.422 24.389 25.635 1.00 1.00 N ATOM 187 CA SER A 13 4.303 25.177 26.488 1.00 1.00 C ATOM 188 C SER A 13 4.282 26.640 26.114 1.00 1.00 C ATOM 189 O SER A 13 4.483 27.035 24.968 1.00 1.00 O ATOM 190 CB SER A 13 5.767 24.665 26.583 1.00 1.00 C ATOM 191 OG SER A 13 6.445 24.619 25.327 1.00 1.00 O ATOM 0 H SER A 13 3.636 24.457 24.640 1.00 1.00 H new ATOM 0 HA SER A 13 3.884 25.049 27.486 1.00 1.00 H new ATOM 0 HB2 SER A 13 6.324 25.310 27.262 1.00 1.00 H new ATOM 0 HB3 SER A 13 5.765 23.667 27.021 1.00 1.00 H new ATOM 0 HG SER A 13 7.359 24.290 25.460 1.00 1.00 H new ATOM 197 N LEU A 14 4.013 27.502 27.107 1.00 1.00 N ATOM 198 CA LEU A 14 3.843 28.929 26.949 1.00 1.00 C ATOM 199 C LEU A 14 4.799 29.658 27.873 1.00 1.00 C ATOM 200 O LEU A 14 4.974 29.285 29.031 1.00 1.00 O ATOM 201 CB LEU A 14 2.365 29.296 27.240 1.00 1.00 C ATOM 202 CG LEU A 14 1.984 30.793 27.225 1.00 1.00 C ATOM 203 CD1 LEU A 14 0.529 30.969 26.773 1.00 1.00 C ATOM 204 CD2 LEU A 14 2.138 31.473 28.595 1.00 1.00 C ATOM 0 H LEU A 14 3.907 27.198 28.075 1.00 1.00 H new ATOM 0 HA LEU A 14 4.074 29.233 25.928 1.00 1.00 H new ATOM 0 HB2 LEU A 14 1.741 28.783 26.508 1.00 1.00 H new ATOM 0 HB3 LEU A 14 2.105 28.893 28.219 1.00 1.00 H new ATOM 0 HG LEU A 14 2.676 31.266 26.528 1.00 1.00 H new ATOM 0 HD11 LEU A 14 0.275 32.029 26.768 1.00 1.00 H new ATOM 0 HD12 LEU A 14 0.408 30.562 25.769 1.00 1.00 H new ATOM 0 HD13 LEU A 14 -0.132 30.441 27.461 1.00 1.00 H new ATOM 0 HD21 LEU A 14 1.854 32.522 28.514 1.00 1.00 H new ATOM 0 HD22 LEU A 14 1.494 30.978 29.321 1.00 1.00 H new ATOM 0 HD23 LEU A 14 3.175 31.402 28.922 1.00 1.00 H new ATOM 216 N ASP A 15 5.451 30.730 27.389 1.00 1.00 N ATOM 217 CA ASP A 15 6.333 31.561 28.183 1.00 1.00 C ATOM 218 C ASP A 15 5.777 32.991 28.158 1.00 1.00 C ATOM 219 O ASP A 15 5.705 33.578 27.073 1.00 1.00 O ATOM 220 CB ASP A 15 7.747 31.491 27.562 1.00 1.00 C ATOM 221 CG ASP A 15 8.819 32.156 28.389 1.00 1.00 C ATOM 222 OD1 ASP A 15 8.626 33.269 28.939 1.00 1.00 O ATOM 223 OD2 ASP A 15 9.908 31.545 28.559 1.00 1.00 O ATOM 0 H ASP A 15 5.370 31.036 26.419 1.00 1.00 H new ATOM 0 HA ASP A 15 6.394 31.226 29.218 1.00 1.00 H new ATOM 0 HB2 ASP A 15 8.015 30.445 27.413 1.00 1.00 H new ATOM 0 HB3 ASP A 15 7.722 31.957 26.577 1.00 1.00 H new ATOM 228 N PRO A 16 5.360 33.608 29.268 1.00 1.00 N ATOM 229 CA PRO A 16 4.857 34.979 29.271 1.00 1.00 C ATOM 230 C PRO A 16 5.893 36.013 28.887 1.00 1.00 C ATOM 231 O PRO A 16 5.532 37.029 28.298 1.00 1.00 O ATOM 232 CB PRO A 16 4.350 35.194 30.707 1.00 1.00 C ATOM 233 CG PRO A 16 4.001 33.783 31.183 1.00 1.00 C ATOM 234 CD PRO A 16 5.105 32.945 30.549 1.00 1.00 C ATOM 0 HA PRO A 16 4.080 35.108 28.518 1.00 1.00 H new ATOM 0 HB2 PRO A 16 5.113 35.652 31.337 1.00 1.00 H new ATOM 0 HB3 PRO A 16 3.481 35.851 30.731 1.00 1.00 H new ATOM 0 HG2 PRO A 16 4.007 33.707 32.270 1.00 1.00 H new ATOM 0 HG3 PRO A 16 3.011 33.473 30.847 1.00 1.00 H new ATOM 0 HD2 PRO A 16 5.999 32.924 31.173 1.00 1.00 H new ATOM 0 HD3 PRO A 16 4.790 31.911 30.408 1.00 1.00 H new ATOM 242 N THR A 17 7.180 35.796 29.219 1.00 1.00 N ATOM 243 CA THR A 17 8.236 36.780 28.995 1.00 1.00 C ATOM 244 C THR A 17 8.545 36.938 27.524 1.00 1.00 C ATOM 245 O THR A 17 8.562 38.044 26.990 1.00 1.00 O ATOM 246 CB THR A 17 9.524 36.441 29.740 1.00 1.00 C ATOM 247 OG1 THR A 17 9.261 36.375 31.137 1.00 1.00 O ATOM 248 CG2 THR A 17 10.595 37.528 29.557 1.00 1.00 C ATOM 0 H THR A 17 7.508 34.931 29.649 1.00 1.00 H new ATOM 0 HA THR A 17 7.849 37.720 29.389 1.00 1.00 H new ATOM 0 HB THR A 17 9.881 35.493 29.338 1.00 1.00 H new ATOM 0 HG1 THR A 17 10.088 36.156 31.615 1.00 1.00 H new ATOM 0 HG21 THR A 17 11.495 37.247 30.103 1.00 1.00 H new ATOM 0 HG22 THR A 17 10.831 37.632 28.498 1.00 1.00 H new ATOM 0 HG23 THR A 17 10.219 38.477 29.940 1.00 1.00 H new ATOM 256 N SER A 18 8.727 35.825 26.788 1.00 1.00 N ATOM 257 CA SER A 18 9.060 35.885 25.367 1.00 1.00 C ATOM 258 C SER A 18 7.824 35.947 24.481 1.00 1.00 C ATOM 259 O SER A 18 7.895 36.286 23.297 1.00 1.00 O ATOM 260 CB SER A 18 9.908 34.655 24.947 1.00 1.00 C ATOM 261 OG SER A 18 9.199 33.436 25.175 1.00 1.00 O ATOM 0 H SER A 18 8.647 34.879 27.161 1.00 1.00 H new ATOM 0 HA SER A 18 9.631 36.803 25.228 1.00 1.00 H new ATOM 0 HB2 SER A 18 10.170 34.734 23.892 1.00 1.00 H new ATOM 0 HB3 SER A 18 10.842 34.646 25.508 1.00 1.00 H new ATOM 0 HG SER A 18 9.755 32.678 24.900 1.00 1.00 H new ATOM 267 N HIS A 19 6.647 35.627 25.060 1.00 1.00 N ATOM 268 CA HIS A 19 5.363 35.469 24.391 1.00 1.00 C ATOM 269 C HIS A 19 5.331 34.284 23.438 1.00 1.00 C ATOM 270 O HIS A 19 4.605 34.286 22.445 1.00 1.00 O ATOM 271 CB HIS A 19 4.820 36.727 23.661 1.00 1.00 C ATOM 272 CG HIS A 19 4.740 37.978 24.489 1.00 1.00 C ATOM 273 ND1 HIS A 19 5.317 38.350 25.658 1.00 1.00 N flip ATOM 274 CD2 HIS A 19 4.051 39.063 24.027 1.00 1.00 C flip ATOM 275 CE1 HIS A 19 4.957 39.653 25.876 1.00 1.00 C flip ATOM 276 NE2 HIS A 19 4.189 40.062 24.881 1.00 1.00 N flip ATOM 0 H HIS A 19 6.577 35.465 26.065 1.00 1.00 H new ATOM 0 HA HIS A 19 4.691 35.285 25.229 1.00 1.00 H new ATOM 0 HB2 HIS A 19 5.455 36.925 22.797 1.00 1.00 H new ATOM 0 HB3 HIS A 19 3.824 36.501 23.280 1.00 1.00 H new ATOM 0 HD1 HIS A 19 5.905 37.772 26.258 1.00 1.00 H new ATOM 0 HD2 HIS A 19 3.483 39.099 23.109 1.00 1.00 H new ATOM 0 HE1 HIS A 19 5.253 40.251 26.725 1.00 1.00 H new ATOM 285 N ARG A 20 6.127 33.234 23.716 1.00 1.00 N ATOM 286 CA ARG A 20 6.284 32.108 22.817 1.00 1.00 C ATOM 287 C ARG A 20 5.391 30.951 23.230 1.00 1.00 C ATOM 288 O ARG A 20 5.348 30.564 24.399 1.00 1.00 O ATOM 289 CB ARG A 20 7.763 31.646 22.791 1.00 1.00 C ATOM 290 CG ARG A 20 8.192 30.815 21.561 1.00 1.00 C ATOM 291 CD ARG A 20 8.214 31.636 20.266 1.00 1.00 C ATOM 292 NE ARG A 20 8.943 30.862 19.213 1.00 1.00 N ATOM 293 CZ ARG A 20 9.114 31.329 17.969 1.00 1.00 C ATOM 294 NH1 ARG A 20 8.575 32.482 17.582 1.00 1.00 N ATOM 295 NH2 ARG A 20 9.858 30.652 17.100 1.00 1.00 N ATOM 0 H ARG A 20 6.673 33.156 24.574 1.00 1.00 H new ATOM 0 HA ARG A 20 5.990 32.431 21.818 1.00 1.00 H new ATOM 0 HB2 ARG A 20 8.400 32.529 22.848 1.00 1.00 H new ATOM 0 HB3 ARG A 20 7.955 31.056 23.688 1.00 1.00 H new ATOM 0 HG2 ARG A 20 9.183 30.398 21.738 1.00 1.00 H new ATOM 0 HG3 ARG A 20 7.509 29.974 21.441 1.00 1.00 H new ATOM 0 HD2 ARG A 20 7.197 31.851 19.939 1.00 1.00 H new ATOM 0 HD3 ARG A 20 8.704 32.595 20.436 1.00 1.00 H new ATOM 0 HE ARG A 20 9.323 29.946 19.451 1.00 1.00 H new ATOM 0 HH11 ARG A 20 8.018 33.030 18.238 1.00 1.00 H new ATOM 0 HH12 ARG A 20 8.719 32.818 16.630 1.00 1.00 H new ATOM 0 HH21 ARG A 20 10.299 29.776 17.380 1.00 1.00 H new ATOM 0 HH22 ARG A 20 9.988 31.008 16.153 1.00 1.00 H new ATOM 309 N VAL A 21 4.658 30.363 22.270 1.00 1.00 N ATOM 310 CA VAL A 21 3.790 29.217 22.473 1.00 1.00 C ATOM 311 C VAL A 21 4.299 28.092 21.587 1.00 1.00 C ATOM 312 O VAL A 21 4.479 28.260 20.382 1.00 1.00 O ATOM 313 CB VAL A 21 2.335 29.510 22.107 1.00 1.00 C ATOM 314 CG1 VAL A 21 1.443 28.285 22.395 1.00 1.00 C ATOM 315 CG2 VAL A 21 1.845 30.720 22.924 1.00 1.00 C ATOM 0 H VAL A 21 4.661 30.691 21.304 1.00 1.00 H new ATOM 0 HA VAL A 21 3.811 28.952 23.530 1.00 1.00 H new ATOM 0 HB VAL A 21 2.273 29.733 21.042 1.00 1.00 H new ATOM 0 HG11 VAL A 21 0.412 28.515 22.127 1.00 1.00 H new ATOM 0 HG12 VAL A 21 1.790 27.436 21.806 1.00 1.00 H new ATOM 0 HG13 VAL A 21 1.496 28.037 23.455 1.00 1.00 H new ATOM 0 HG21 VAL A 21 0.808 30.935 22.669 1.00 1.00 H new ATOM 0 HG22 VAL A 21 1.917 30.494 23.988 1.00 1.00 H new ATOM 0 HG23 VAL A 21 2.463 31.588 22.695 1.00 1.00 H new ATOM 325 N MET A 22 4.561 26.907 22.163 1.00 1.00 N ATOM 326 CA MET A 22 5.003 25.741 21.426 1.00 1.00 C ATOM 327 C MET A 22 4.099 24.564 21.732 1.00 1.00 C ATOM 328 O MET A 22 3.601 24.422 22.845 1.00 1.00 O ATOM 329 CB MET A 22 6.459 25.334 21.774 1.00 1.00 C ATOM 330 CG MET A 22 7.497 26.458 21.590 1.00 1.00 C ATOM 331 SD MET A 22 9.211 25.922 21.879 1.00 1.00 S ATOM 332 CE MET A 22 9.442 25.069 20.292 1.00 1.00 C ATOM 0 H MET A 22 4.467 26.744 23.165 1.00 1.00 H new ATOM 0 HA MET A 22 4.961 26.006 20.369 1.00 1.00 H new ATOM 0 HB2 MET A 22 6.490 24.993 22.809 1.00 1.00 H new ATOM 0 HB3 MET A 22 6.745 24.487 21.151 1.00 1.00 H new ATOM 0 HG2 MET A 22 7.415 26.855 20.578 1.00 1.00 H new ATOM 0 HG3 MET A 22 7.261 27.274 22.272 1.00 1.00 H new ATOM 0 HE1 MET A 22 9.740 24.036 20.474 1.00 1.00 H new ATOM 0 HE2 MET A 22 8.507 25.084 19.732 1.00 1.00 H new ATOM 0 HE3 MET A 22 10.218 25.574 19.717 1.00 1.00 H new ATOM 342 N ALA A 23 3.877 23.675 20.748 1.00 1.00 N ATOM 343 CA ALA A 23 3.180 22.419 20.949 1.00 1.00 C ATOM 344 C ALA A 23 4.160 21.284 20.720 1.00 1.00 C ATOM 345 O ALA A 23 4.598 21.017 19.598 1.00 1.00 O ATOM 346 CB ALA A 23 1.987 22.284 19.986 1.00 1.00 C ATOM 0 H ALA A 23 4.184 23.822 19.786 1.00 1.00 H new ATOM 0 HA ALA A 23 2.789 22.386 21.966 1.00 1.00 H new ATOM 0 HB1 ALA A 23 1.484 21.333 20.161 1.00 1.00 H new ATOM 0 HB2 ALA A 23 1.287 23.101 20.158 1.00 1.00 H new ATOM 0 HB3 ALA A 23 2.344 22.322 18.957 1.00 1.00 H new ATOM 352 N GLY A 24 4.563 20.597 21.809 1.00 1.00 N ATOM 353 CA GLY A 24 5.708 19.691 21.819 1.00 1.00 C ATOM 354 C GLY A 24 7.005 20.394 21.480 1.00 1.00 C ATOM 355 O GLY A 24 7.553 21.142 22.293 1.00 1.00 O ATOM 0 H GLY A 24 4.091 20.663 22.711 1.00 1.00 H new ATOM 0 HA2 GLY A 24 5.794 19.230 22.803 1.00 1.00 H new ATOM 0 HA3 GLY A 24 5.537 18.886 21.104 1.00 1.00 H new ATOM 359 N GLU A 25 7.507 20.165 20.252 1.00 1.00 N ATOM 360 CA GLU A 25 8.709 20.782 19.714 1.00 1.00 C ATOM 361 C GLU A 25 8.379 21.777 18.590 1.00 1.00 C ATOM 362 O GLU A 25 9.261 22.365 17.961 1.00 1.00 O ATOM 363 CB GLU A 25 9.650 19.659 19.195 1.00 1.00 C ATOM 364 CG GLU A 25 11.153 20.037 19.153 1.00 1.00 C ATOM 365 CD GLU A 25 12.021 18.891 18.673 1.00 1.00 C ATOM 366 OE1 GLU A 25 11.984 17.788 19.282 1.00 1.00 O ATOM 367 OE2 GLU A 25 12.753 19.070 17.657 1.00 1.00 O ATOM 0 H GLU A 25 7.064 19.523 19.595 1.00 1.00 H new ATOM 0 HA GLU A 25 9.204 21.349 20.503 1.00 1.00 H new ATOM 0 HB2 GLU A 25 9.528 18.781 19.829 1.00 1.00 H new ATOM 0 HB3 GLU A 25 9.333 19.374 18.192 1.00 1.00 H new ATOM 0 HG2 GLU A 25 11.291 20.895 18.495 1.00 1.00 H new ATOM 0 HG3 GLU A 25 11.476 20.343 20.148 1.00 1.00 H new ATOM 374 N GLU A 26 7.080 22.020 18.314 1.00 1.00 N ATOM 375 CA GLU A 26 6.620 22.856 17.215 1.00 1.00 C ATOM 376 C GLU A 26 6.270 24.271 17.688 1.00 1.00 C ATOM 377 O GLU A 26 5.347 24.400 18.494 1.00 1.00 O ATOM 378 CB GLU A 26 5.331 22.236 16.615 1.00 1.00 C ATOM 379 CG GLU A 26 4.782 22.919 15.339 1.00 1.00 C ATOM 380 CD GLU A 26 5.493 22.444 14.093 1.00 1.00 C ATOM 381 OE1 GLU A 26 5.055 21.402 13.532 1.00 1.00 O ATOM 382 OE2 GLU A 26 6.462 23.106 13.636 1.00 1.00 O ATOM 0 H GLU A 26 6.318 21.628 18.866 1.00 1.00 H new ATOM 0 HA GLU A 26 7.425 22.911 16.482 1.00 1.00 H new ATOM 0 HB2 GLU A 26 5.527 21.188 16.387 1.00 1.00 H new ATOM 0 HB3 GLU A 26 4.553 22.256 17.378 1.00 1.00 H new ATOM 0 HG2 GLU A 26 3.715 22.714 15.248 1.00 1.00 H new ATOM 0 HG3 GLU A 26 4.892 24.000 15.430 1.00 1.00 H new ATOM 389 N PRO A 27 6.901 25.369 17.275 1.00 1.00 N ATOM 390 CA PRO A 27 6.483 26.711 17.673 1.00 1.00 C ATOM 391 C PRO A 27 5.252 27.174 16.910 1.00 1.00 C ATOM 392 O PRO A 27 5.139 26.929 15.707 1.00 1.00 O ATOM 393 CB PRO A 27 7.712 27.576 17.351 1.00 1.00 C ATOM 394 CG PRO A 27 8.378 26.861 16.171 1.00 1.00 C ATOM 395 CD PRO A 27 8.123 25.383 16.470 1.00 1.00 C ATOM 0 HA PRO A 27 6.189 26.766 18.721 1.00 1.00 H new ATOM 0 HB2 PRO A 27 7.424 28.594 17.089 1.00 1.00 H new ATOM 0 HB3 PRO A 27 8.385 27.645 18.206 1.00 1.00 H new ATOM 0 HG2 PRO A 27 7.940 27.161 15.219 1.00 1.00 H new ATOM 0 HG3 PRO A 27 9.444 27.083 16.115 1.00 1.00 H new ATOM 0 HD2 PRO A 27 7.998 24.810 15.551 1.00 1.00 H new ATOM 0 HD3 PRO A 27 8.958 24.939 17.012 1.00 1.00 H new ATOM 403 N LEU A 28 4.312 27.852 17.595 1.00 1.00 N ATOM 404 CA LEU A 28 3.028 28.268 17.058 1.00 1.00 C ATOM 405 C LEU A 28 2.952 29.780 16.949 1.00 1.00 C ATOM 406 O LEU A 28 3.814 30.501 17.455 1.00 1.00 O ATOM 407 CB LEU A 28 1.862 27.731 17.922 1.00 1.00 C ATOM 408 CG LEU A 28 1.864 26.196 18.076 1.00 1.00 C ATOM 409 CD1 LEU A 28 0.626 25.730 18.846 1.00 1.00 C ATOM 410 CD2 LEU A 28 1.906 25.462 16.728 1.00 1.00 C ATOM 0 H LEU A 28 4.442 28.128 18.568 1.00 1.00 H new ATOM 0 HA LEU A 28 2.934 27.844 16.058 1.00 1.00 H new ATOM 0 HB2 LEU A 28 1.913 28.187 18.911 1.00 1.00 H new ATOM 0 HB3 LEU A 28 0.917 28.042 17.476 1.00 1.00 H new ATOM 0 HG LEU A 28 2.772 25.950 18.627 1.00 1.00 H new ATOM 0 HD11 LEU A 28 0.646 24.645 18.944 1.00 1.00 H new ATOM 0 HD12 LEU A 28 0.622 26.184 19.837 1.00 1.00 H new ATOM 0 HD13 LEU A 28 -0.272 26.029 18.306 1.00 1.00 H new ATOM 0 HD21 LEU A 28 1.906 24.386 16.900 1.00 1.00 H new ATOM 0 HD22 LEU A 28 1.032 25.736 16.137 1.00 1.00 H new ATOM 0 HD23 LEU A 28 2.811 25.743 16.189 1.00 1.00 H new ATOM 422 N GLU A 29 1.948 30.311 16.223 1.00 1.00 N ATOM 423 CA GLU A 29 1.837 31.740 15.977 1.00 1.00 C ATOM 424 C GLU A 29 0.478 32.330 16.321 1.00 1.00 C ATOM 425 O GLU A 29 -0.575 31.757 16.039 1.00 1.00 O ATOM 426 CB GLU A 29 2.196 32.115 14.519 1.00 1.00 C ATOM 427 CG GLU A 29 1.299 31.501 13.421 1.00 1.00 C ATOM 428 CD GLU A 29 1.653 32.052 12.062 1.00 1.00 C ATOM 429 OE1 GLU A 29 1.634 33.297 11.871 1.00 1.00 O ATOM 430 OE2 GLU A 29 1.929 31.257 11.121 1.00 1.00 O ATOM 0 H GLU A 29 1.204 29.757 15.799 1.00 1.00 H new ATOM 0 HA GLU A 29 2.566 32.179 16.658 1.00 1.00 H new ATOM 0 HB2 GLU A 29 2.160 33.200 14.425 1.00 1.00 H new ATOM 0 HB3 GLU A 29 3.226 31.812 14.330 1.00 1.00 H new ATOM 0 HG2 GLU A 29 1.412 30.417 13.418 1.00 1.00 H new ATOM 0 HG3 GLU A 29 0.253 31.712 13.641 1.00 1.00 H new ATOM 437 N MET A 30 0.471 33.525 16.944 1.00 1.00 N ATOM 438 CA MET A 30 -0.741 34.235 17.290 1.00 1.00 C ATOM 439 C MET A 30 -0.446 35.698 17.569 1.00 1.00 C ATOM 440 O MET A 30 0.703 36.093 17.767 1.00 1.00 O ATOM 441 CB MET A 30 -1.454 33.598 18.506 1.00 1.00 C ATOM 442 CG MET A 30 -0.630 33.569 19.811 1.00 1.00 C ATOM 443 SD MET A 30 -1.358 32.534 21.119 1.00 1.00 S ATOM 444 CE MET A 30 -0.985 30.939 20.330 1.00 1.00 C ATOM 0 H MET A 30 1.323 34.015 17.217 1.00 1.00 H new ATOM 0 HA MET A 30 -1.411 34.163 16.433 1.00 1.00 H new ATOM 0 HB2 MET A 30 -2.379 34.144 18.691 1.00 1.00 H new ATOM 0 HB3 MET A 30 -1.733 32.576 18.249 1.00 1.00 H new ATOM 0 HG2 MET A 30 0.373 33.204 19.588 1.00 1.00 H new ATOM 0 HG3 MET A 30 -0.523 34.587 20.184 1.00 1.00 H new ATOM 0 HE1 MET A 30 -0.922 30.162 21.092 1.00 1.00 H new ATOM 0 HE2 MET A 30 -1.775 30.690 19.622 1.00 1.00 H new ATOM 0 HE3 MET A 30 -0.034 31.008 19.802 1.00 1.00 H new ATOM 454 N GLY A 31 -1.486 36.558 17.564 1.00 1.00 N ATOM 455 CA GLY A 31 -1.379 37.944 17.995 1.00 1.00 C ATOM 456 C GLY A 31 -1.481 38.097 19.499 1.00 1.00 C ATOM 457 O GLY A 31 -1.750 37.131 20.219 1.00 1.00 O ATOM 0 H GLY A 31 -2.423 36.297 17.257 1.00 1.00 H new ATOM 0 HA2 GLY A 31 -0.428 38.353 17.656 1.00 1.00 H new ATOM 0 HA3 GLY A 31 -2.166 38.530 17.520 1.00 1.00 H new ATOM 461 N PRO A 32 -1.314 39.302 20.024 1.00 1.00 N ATOM 462 CA PRO A 32 -1.148 39.511 21.458 1.00 1.00 C ATOM 463 C PRO A 32 -2.444 39.332 22.226 1.00 1.00 C ATOM 464 O PRO A 32 -2.402 38.861 23.359 1.00 1.00 O ATOM 465 CB PRO A 32 -0.565 40.932 21.576 1.00 1.00 C ATOM 466 CG PRO A 32 -0.905 41.611 20.246 1.00 1.00 C ATOM 467 CD PRO A 32 -0.873 40.459 19.247 1.00 1.00 C ATOM 0 HA PRO A 32 -0.487 38.770 21.907 1.00 1.00 H new ATOM 0 HB2 PRO A 32 -1.003 41.470 22.417 1.00 1.00 H new ATOM 0 HB3 PRO A 32 0.512 40.904 21.741 1.00 1.00 H new ATOM 0 HG2 PRO A 32 -1.884 42.090 20.277 1.00 1.00 H new ATOM 0 HG3 PRO A 32 -0.180 42.384 19.992 1.00 1.00 H new ATOM 0 HD2 PRO A 32 -1.534 40.646 18.401 1.00 1.00 H new ATOM 0 HD3 PRO A 32 0.128 40.310 18.842 1.00 1.00 H new ATOM 475 N THR A 33 -3.621 39.671 21.664 1.00 1.00 N ATOM 476 CA THR A 33 -4.911 39.453 22.328 1.00 1.00 C ATOM 477 C THR A 33 -5.227 37.972 22.470 1.00 1.00 C ATOM 478 O THR A 33 -5.768 37.518 23.479 1.00 1.00 O ATOM 479 CB THR A 33 -6.081 40.186 21.686 1.00 1.00 C ATOM 480 OG1 THR A 33 -5.704 41.533 21.426 1.00 1.00 O ATOM 481 CG2 THR A 33 -7.285 40.258 22.637 1.00 1.00 C ATOM 0 H THR A 33 -3.699 40.101 20.742 1.00 1.00 H new ATOM 0 HA THR A 33 -4.788 39.889 23.319 1.00 1.00 H new ATOM 0 HB THR A 33 -6.345 39.644 20.778 1.00 1.00 H new ATOM 0 HG1 THR A 33 -6.454 42.008 21.011 1.00 1.00 H new ATOM 0 HG21 THR A 33 -8.103 40.787 22.149 1.00 1.00 H new ATOM 0 HG22 THR A 33 -7.607 39.249 22.893 1.00 1.00 H new ATOM 0 HG23 THR A 33 -7.000 40.789 23.545 1.00 1.00 H new ATOM 489 N GLU A 34 -4.857 37.148 21.467 1.00 1.00 N ATOM 490 CA GLU A 34 -4.905 35.693 21.542 1.00 1.00 C ATOM 491 C GLU A 34 -3.958 35.146 22.597 1.00 1.00 C ATOM 492 O GLU A 34 -4.322 34.259 23.366 1.00 1.00 O ATOM 493 CB GLU A 34 -4.604 35.022 20.173 1.00 1.00 C ATOM 494 CG GLU A 34 -5.844 34.787 19.269 1.00 1.00 C ATOM 495 CD GLU A 34 -6.545 36.063 18.855 1.00 1.00 C ATOM 496 OE1 GLU A 34 -7.263 36.649 19.700 1.00 1.00 O ATOM 497 OE2 GLU A 34 -6.405 36.492 17.680 1.00 1.00 O ATOM 0 H GLU A 34 -4.512 37.493 20.571 1.00 1.00 H new ATOM 0 HA GLU A 34 -5.927 35.445 21.828 1.00 1.00 H new ATOM 0 HB2 GLU A 34 -3.891 35.642 19.631 1.00 1.00 H new ATOM 0 HB3 GLU A 34 -4.119 34.063 20.355 1.00 1.00 H new ATOM 0 HG2 GLU A 34 -5.534 34.247 18.375 1.00 1.00 H new ATOM 0 HG3 GLU A 34 -6.552 34.149 19.797 1.00 1.00 H new ATOM 504 N PHE A 35 -2.728 35.694 22.696 1.00 1.00 N ATOM 505 CA PHE A 35 -1.778 35.345 23.739 1.00 1.00 C ATOM 506 C PHE A 35 -2.300 35.663 25.146 1.00 1.00 C ATOM 507 O PHE A 35 -2.239 34.826 26.046 1.00 1.00 O ATOM 508 CB PHE A 35 -0.418 36.054 23.474 1.00 1.00 C ATOM 509 CG PHE A 35 0.649 35.508 24.380 1.00 1.00 C ATOM 510 CD1 PHE A 35 1.279 34.292 24.077 1.00 1.00 C ATOM 511 CD2 PHE A 35 0.966 36.162 25.582 1.00 1.00 C ATOM 512 CE1 PHE A 35 2.187 33.722 24.977 1.00 1.00 C ATOM 513 CE2 PHE A 35 1.864 35.589 26.490 1.00 1.00 C ATOM 514 CZ PHE A 35 2.462 34.360 26.191 1.00 1.00 C ATOM 0 H PHE A 35 -2.377 36.395 22.043 1.00 1.00 H new ATOM 0 HA PHE A 35 -1.634 34.265 23.704 1.00 1.00 H new ATOM 0 HB2 PHE A 35 -0.126 35.914 22.433 1.00 1.00 H new ATOM 0 HB3 PHE A 35 -0.524 37.127 23.634 1.00 1.00 H new ATOM 0 HD1 PHE A 35 1.062 33.793 23.144 1.00 1.00 H new ATOM 0 HD2 PHE A 35 0.513 37.116 25.808 1.00 1.00 H new ATOM 0 HE1 PHE A 35 2.675 32.790 24.734 1.00 1.00 H new ATOM 0 HE2 PHE A 35 2.094 36.093 27.417 1.00 1.00 H new ATOM 0 HZ PHE A 35 3.137 33.903 26.899 1.00 1.00 H new ATOM 524 N LYS A 36 -2.898 36.857 25.351 1.00 1.00 N ATOM 525 CA LYS A 36 -3.543 37.237 26.600 1.00 1.00 C ATOM 526 C LYS A 36 -4.697 36.315 26.985 1.00 1.00 C ATOM 527 O LYS A 36 -4.832 35.922 28.146 1.00 1.00 O ATOM 528 CB LYS A 36 -4.098 38.682 26.519 1.00 1.00 C ATOM 529 CG LYS A 36 -3.033 39.789 26.524 1.00 1.00 C ATOM 530 CD LYS A 36 -3.697 41.175 26.441 1.00 1.00 C ATOM 531 CE LYS A 36 -2.742 42.371 26.546 1.00 1.00 C ATOM 532 NZ LYS A 36 -1.843 42.433 25.384 1.00 1.00 N ATOM 0 H LYS A 36 -2.940 37.584 24.637 1.00 1.00 H new ATOM 0 HA LYS A 36 -2.767 37.159 27.361 1.00 1.00 H new ATOM 0 HB2 LYS A 36 -4.693 38.776 25.611 1.00 1.00 H new ATOM 0 HB3 LYS A 36 -4.772 38.844 27.360 1.00 1.00 H new ATOM 0 HG2 LYS A 36 -2.433 39.720 27.431 1.00 1.00 H new ATOM 0 HG3 LYS A 36 -2.355 39.653 25.682 1.00 1.00 H new ATOM 0 HD2 LYS A 36 -4.236 41.244 25.496 1.00 1.00 H new ATOM 0 HD3 LYS A 36 -4.437 41.252 27.237 1.00 1.00 H new ATOM 0 HE2 LYS A 36 -3.317 43.295 26.615 1.00 1.00 H new ATOM 0 HE3 LYS A 36 -2.154 42.292 27.461 1.00 1.00 H new ATOM 0 HZ1 LYS A 36 -1.208 43.251 25.480 1.00 1.00 H new ATOM 0 HZ2 LYS A 36 -1.279 41.560 25.334 1.00 1.00 H new ATOM 0 HZ3 LYS A 36 -2.405 42.532 24.515 1.00 1.00 H new ATOM 546 N LEU A 37 -5.549 35.935 26.009 1.00 1.00 N ATOM 547 CA LEU A 37 -6.631 34.983 26.199 1.00 1.00 C ATOM 548 C LEU A 37 -6.153 33.577 26.531 1.00 1.00 C ATOM 549 O LEU A 37 -6.634 32.946 27.471 1.00 1.00 O ATOM 550 CB LEU A 37 -7.523 34.947 24.933 1.00 1.00 C ATOM 551 CG LEU A 37 -8.811 34.099 25.038 1.00 1.00 C ATOM 552 CD1 LEU A 37 -9.688 34.515 26.229 1.00 1.00 C ATOM 553 CD2 LEU A 37 -9.615 34.193 23.733 1.00 1.00 C ATOM 0 H LEU A 37 -5.492 36.295 25.056 1.00 1.00 H new ATOM 0 HA LEU A 37 -7.201 35.328 27.061 1.00 1.00 H new ATOM 0 HB2 LEU A 37 -7.804 35.970 24.681 1.00 1.00 H new ATOM 0 HB3 LEU A 37 -6.927 34.566 24.103 1.00 1.00 H new ATOM 0 HG LEU A 37 -8.505 33.066 25.205 1.00 1.00 H new ATOM 0 HD11 LEU A 37 -10.580 33.890 26.260 1.00 1.00 H new ATOM 0 HD12 LEU A 37 -9.127 34.391 27.155 1.00 1.00 H new ATOM 0 HD13 LEU A 37 -9.980 35.559 26.119 1.00 1.00 H new ATOM 0 HD21 LEU A 37 -10.520 33.592 23.819 1.00 1.00 H new ATOM 0 HD22 LEU A 37 -9.886 35.232 23.547 1.00 1.00 H new ATOM 0 HD23 LEU A 37 -9.010 33.822 22.906 1.00 1.00 H new ATOM 565 N LEU A 38 -5.145 33.063 25.798 1.00 1.00 N ATOM 566 CA LEU A 38 -4.540 31.770 26.057 1.00 1.00 C ATOM 567 C LEU A 38 -3.848 31.706 27.407 1.00 1.00 C ATOM 568 O LEU A 38 -4.011 30.748 28.158 1.00 1.00 O ATOM 569 CB LEU A 38 -3.541 31.399 24.937 1.00 1.00 C ATOM 570 CG LEU A 38 -2.922 29.986 25.040 1.00 1.00 C ATOM 571 CD1 LEU A 38 -3.980 28.871 25.099 1.00 1.00 C ATOM 572 CD2 LEU A 38 -1.971 29.745 23.862 1.00 1.00 C ATOM 0 H LEU A 38 -4.733 33.551 25.003 1.00 1.00 H new ATOM 0 HA LEU A 38 -5.354 31.046 26.073 1.00 1.00 H new ATOM 0 HB2 LEU A 38 -4.050 31.485 23.977 1.00 1.00 H new ATOM 0 HB3 LEU A 38 -2.734 32.131 24.937 1.00 1.00 H new ATOM 0 HG LEU A 38 -2.370 29.948 25.979 1.00 1.00 H new ATOM 0 HD11 LEU A 38 -3.485 27.903 25.171 1.00 1.00 H new ATOM 0 HD12 LEU A 38 -4.616 29.019 25.972 1.00 1.00 H new ATOM 0 HD13 LEU A 38 -4.590 28.900 24.196 1.00 1.00 H new ATOM 0 HD21 LEU A 38 -1.539 28.748 23.941 1.00 1.00 H new ATOM 0 HD22 LEU A 38 -2.523 29.828 22.926 1.00 1.00 H new ATOM 0 HD23 LEU A 38 -1.174 30.488 23.880 1.00 1.00 H new ATOM 584 N HIS A 39 -3.100 32.762 27.787 1.00 1.00 N ATOM 585 CA HIS A 39 -2.475 32.867 29.094 1.00 1.00 C ATOM 586 C HIS A 39 -3.481 32.861 30.240 1.00 1.00 C ATOM 587 O HIS A 39 -3.269 32.197 31.252 1.00 1.00 O ATOM 588 CB HIS A 39 -1.592 34.134 29.190 1.00 1.00 C ATOM 589 CG HIS A 39 -0.759 34.194 30.436 1.00 1.00 C ATOM 590 ND1 HIS A 39 -0.562 35.408 31.071 1.00 1.00 N ATOM 591 CD2 HIS A 39 -0.086 33.209 31.087 1.00 1.00 C ATOM 592 CE1 HIS A 39 0.234 35.135 32.094 1.00 1.00 C ATOM 593 NE2 HIS A 39 0.544 33.819 32.147 1.00 1.00 N ATOM 0 H HIS A 39 -2.920 33.563 27.182 1.00 1.00 H new ATOM 0 HA HIS A 39 -1.853 31.978 29.197 1.00 1.00 H new ATOM 0 HB2 HIS A 39 -0.935 34.175 28.322 1.00 1.00 H new ATOM 0 HB3 HIS A 39 -2.231 35.016 29.148 1.00 1.00 H new ATOM 0 HD2 HIS A 39 -0.053 32.162 30.826 1.00 1.00 H new ATOM 0 HE1 HIS A 39 0.591 35.872 32.798 1.00 1.00 H new ATOM 0 HE2 HIS A 39 1.135 33.364 32.843 1.00 1.00 H new ATOM 601 N PHE A 40 -4.620 33.575 30.094 1.00 1.00 N ATOM 602 CA PHE A 40 -5.724 33.522 31.039 1.00 1.00 C ATOM 603 C PHE A 40 -6.361 32.130 31.127 1.00 1.00 C ATOM 604 O PHE A 40 -6.585 31.602 32.215 1.00 1.00 O ATOM 605 CB PHE A 40 -6.787 34.594 30.651 1.00 1.00 C ATOM 606 CG PHE A 40 -7.936 34.639 31.627 1.00 1.00 C ATOM 607 CD1 PHE A 40 -7.774 35.225 32.894 1.00 1.00 C ATOM 608 CD2 PHE A 40 -9.163 34.032 31.307 1.00 1.00 C ATOM 609 CE1 PHE A 40 -8.818 35.194 33.827 1.00 1.00 C ATOM 610 CE2 PHE A 40 -10.208 33.999 32.240 1.00 1.00 C ATOM 611 CZ PHE A 40 -10.032 34.579 33.502 1.00 1.00 C ATOM 0 H PHE A 40 -4.786 34.203 29.308 1.00 1.00 H new ATOM 0 HA PHE A 40 -5.326 33.738 32.030 1.00 1.00 H new ATOM 0 HB2 PHE A 40 -6.312 35.574 30.607 1.00 1.00 H new ATOM 0 HB3 PHE A 40 -7.169 34.379 29.653 1.00 1.00 H new ATOM 0 HD1 PHE A 40 -6.839 35.702 33.150 1.00 1.00 H new ATOM 0 HD2 PHE A 40 -9.302 33.587 30.333 1.00 1.00 H new ATOM 0 HE1 PHE A 40 -8.686 35.646 34.799 1.00 1.00 H new ATOM 0 HE2 PHE A 40 -11.146 33.528 31.986 1.00 1.00 H new ATOM 0 HZ PHE A 40 -10.834 34.552 34.225 1.00 1.00 H new ATOM 621 N PHE A 41 -6.643 31.474 29.985 1.00 1.00 N ATOM 622 CA PHE A 41 -7.164 30.116 29.971 1.00 1.00 C ATOM 623 C PHE A 41 -6.226 29.063 30.558 1.00 1.00 C ATOM 624 O PHE A 41 -6.662 28.193 31.306 1.00 1.00 O ATOM 625 CB PHE A 41 -7.586 29.701 28.537 1.00 1.00 C ATOM 626 CG PHE A 41 -8.981 30.165 28.191 1.00 1.00 C ATOM 627 CD1 PHE A 41 -10.079 29.914 29.040 1.00 1.00 C ATOM 628 CD2 PHE A 41 -9.219 30.786 26.955 1.00 1.00 C ATOM 629 CE1 PHE A 41 -11.375 30.299 28.673 1.00 1.00 C ATOM 630 CE2 PHE A 41 -10.515 31.163 26.579 1.00 1.00 C ATOM 631 CZ PHE A 41 -11.590 30.930 27.442 1.00 1.00 C ATOM 0 H PHE A 41 -6.513 31.878 29.057 1.00 1.00 H new ATOM 0 HA PHE A 41 -8.033 30.145 30.629 1.00 1.00 H new ATOM 0 HB2 PHE A 41 -6.879 30.116 27.819 1.00 1.00 H new ATOM 0 HB3 PHE A 41 -7.534 28.616 28.445 1.00 1.00 H new ATOM 0 HD1 PHE A 41 -9.918 29.418 29.986 1.00 1.00 H new ATOM 0 HD2 PHE A 41 -8.393 30.976 26.286 1.00 1.00 H new ATOM 0 HE1 PHE A 41 -12.205 30.110 29.337 1.00 1.00 H new ATOM 0 HE2 PHE A 41 -10.684 31.634 25.622 1.00 1.00 H new ATOM 0 HZ PHE A 41 -12.586 31.237 27.159 1.00 1.00 H new ATOM 641 N MET A 42 -4.910 29.120 30.280 1.00 1.00 N ATOM 642 CA MET A 42 -3.932 28.216 30.869 1.00 1.00 C ATOM 643 C MET A 42 -3.785 28.340 32.384 1.00 1.00 C ATOM 644 O MET A 42 -3.541 27.348 33.069 1.00 1.00 O ATOM 645 CB MET A 42 -2.548 28.338 30.192 1.00 1.00 C ATOM 646 CG MET A 42 -2.549 27.786 28.750 1.00 1.00 C ATOM 647 SD MET A 42 -0.924 27.761 27.937 1.00 1.00 S ATOM 648 CE MET A 42 -0.299 26.228 28.687 1.00 1.00 C ATOM 0 H MET A 42 -4.504 29.800 29.637 1.00 1.00 H new ATOM 0 HA MET A 42 -4.339 27.223 30.679 1.00 1.00 H new ATOM 0 HB2 MET A 42 -2.244 29.385 30.178 1.00 1.00 H new ATOM 0 HB3 MET A 42 -1.808 27.800 30.784 1.00 1.00 H new ATOM 0 HG2 MET A 42 -2.946 26.771 28.766 1.00 1.00 H new ATOM 0 HG3 MET A 42 -3.231 28.386 28.148 1.00 1.00 H new ATOM 0 HE1 MET A 42 0.705 26.024 28.316 1.00 1.00 H new ATOM 0 HE2 MET A 42 -0.270 26.339 29.771 1.00 1.00 H new ATOM 0 HE3 MET A 42 -0.957 25.400 28.425 1.00 1.00 H new ATOM 658 N THR A 43 -3.949 29.547 32.966 1.00 1.00 N ATOM 659 CA THR A 43 -3.989 29.714 34.420 1.00 1.00 C ATOM 660 C THR A 43 -5.341 29.353 35.022 1.00 1.00 C ATOM 661 O THR A 43 -5.467 29.177 36.233 1.00 1.00 O ATOM 662 CB THR A 43 -3.600 31.111 34.898 1.00 1.00 C ATOM 663 OG1 THR A 43 -4.372 32.133 34.284 1.00 1.00 O ATOM 664 CG2 THR A 43 -2.140 31.378 34.517 1.00 1.00 C ATOM 0 H THR A 43 -4.055 30.416 32.443 1.00 1.00 H new ATOM 0 HA THR A 43 -3.235 29.012 34.775 1.00 1.00 H new ATOM 0 HB THR A 43 -3.767 31.134 35.975 1.00 1.00 H new ATOM 0 HG1 THR A 43 -4.092 32.239 33.351 1.00 1.00 H new ATOM 0 HG21 THR A 43 -1.852 32.374 34.854 1.00 1.00 H new ATOM 0 HG22 THR A 43 -1.499 30.635 34.991 1.00 1.00 H new ATOM 0 HG23 THR A 43 -2.029 31.315 33.434 1.00 1.00 H new ATOM 672 N HIS A 44 -6.397 29.202 34.192 1.00 1.00 N ATOM 673 CA HIS A 44 -7.735 28.850 34.662 1.00 1.00 C ATOM 674 C HIS A 44 -8.374 27.679 33.906 1.00 1.00 C ATOM 675 O HIS A 44 -9.400 27.879 33.245 1.00 1.00 O ATOM 676 CB HIS A 44 -8.706 30.055 34.555 1.00 1.00 C ATOM 677 CG HIS A 44 -8.258 31.280 35.301 1.00 1.00 C ATOM 678 ND1 HIS A 44 -7.311 32.132 34.812 1.00 1.00 N ATOM 679 CD2 HIS A 44 -8.637 31.767 36.502 1.00 1.00 C ATOM 680 CE1 HIS A 44 -7.107 33.104 35.683 1.00 1.00 C ATOM 681 NE2 HIS A 44 -7.909 32.906 36.715 1.00 1.00 N ATOM 0 H HIS A 44 -6.335 29.323 33.181 1.00 1.00 H new ATOM 0 HA HIS A 44 -7.586 28.552 35.700 1.00 1.00 H new ATOM 0 HB2 HIS A 44 -8.834 30.311 33.503 1.00 1.00 H new ATOM 0 HB3 HIS A 44 -9.684 29.753 34.930 1.00 1.00 H new ATOM 0 HD1 HIS A 44 -6.835 32.034 33.915 1.00 1.00 H new ATOM 0 HD2 HIS A 44 -9.373 31.340 37.167 1.00 1.00 H new ATOM 0 HE1 HIS A 44 -6.407 33.919 35.571 1.00 1.00 H new ATOM 690 N PRO A 45 -7.869 26.447 33.962 1.00 1.00 N ATOM 691 CA PRO A 45 -8.488 25.304 33.298 1.00 1.00 C ATOM 692 C PRO A 45 -9.719 24.802 34.043 1.00 1.00 C ATOM 693 O PRO A 45 -9.806 24.932 35.265 1.00 1.00 O ATOM 694 CB PRO A 45 -7.366 24.252 33.307 1.00 1.00 C ATOM 695 CG PRO A 45 -6.582 24.545 34.590 1.00 1.00 C ATOM 696 CD PRO A 45 -6.649 26.070 34.687 1.00 1.00 C ATOM 0 HA PRO A 45 -8.852 25.546 32.299 1.00 1.00 H new ATOM 0 HB2 PRO A 45 -7.770 23.240 33.310 1.00 1.00 H new ATOM 0 HB3 PRO A 45 -6.732 24.339 32.425 1.00 1.00 H new ATOM 0 HG2 PRO A 45 -7.033 24.064 35.458 1.00 1.00 H new ATOM 0 HG3 PRO A 45 -5.554 24.188 34.526 1.00 1.00 H new ATOM 0 HD2 PRO A 45 -6.691 26.397 35.726 1.00 1.00 H new ATOM 0 HD3 PRO A 45 -5.768 26.532 34.242 1.00 1.00 H new ATOM 704 N GLU A 46 -10.692 24.238 33.308 1.00 1.00 N ATOM 705 CA GLU A 46 -11.890 23.576 33.794 1.00 1.00 C ATOM 706 C GLU A 46 -12.858 24.468 34.565 1.00 1.00 C ATOM 707 O GLU A 46 -13.443 24.076 35.574 1.00 1.00 O ATOM 708 CB GLU A 46 -11.586 22.284 34.595 1.00 1.00 C ATOM 709 CG GLU A 46 -10.702 21.244 33.860 1.00 1.00 C ATOM 710 CD GLU A 46 -11.363 20.528 32.696 1.00 1.00 C ATOM 711 OE1 GLU A 46 -12.496 20.871 32.273 1.00 1.00 O ATOM 712 OE2 GLU A 46 -10.743 19.557 32.184 1.00 1.00 O ATOM 0 H GLU A 46 -10.648 24.239 32.289 1.00 1.00 H new ATOM 0 HA GLU A 46 -12.406 23.299 32.875 1.00 1.00 H new ATOM 0 HB2 GLU A 46 -11.094 22.561 35.527 1.00 1.00 H new ATOM 0 HB3 GLU A 46 -12.531 21.810 34.862 1.00 1.00 H new ATOM 0 HG2 GLU A 46 -9.808 21.748 33.493 1.00 1.00 H new ATOM 0 HG3 GLU A 46 -10.373 20.498 34.583 1.00 1.00 H new ATOM 719 N ARG A 47 -13.081 25.697 34.075 1.00 1.00 N ATOM 720 CA ARG A 47 -14.056 26.609 34.641 1.00 1.00 C ATOM 721 C ARG A 47 -14.640 27.434 33.514 1.00 1.00 C ATOM 722 O ARG A 47 -13.926 27.871 32.610 1.00 1.00 O ATOM 723 CB ARG A 47 -13.419 27.520 35.725 1.00 1.00 C ATOM 724 CG ARG A 47 -14.344 28.624 36.285 1.00 1.00 C ATOM 725 CD ARG A 47 -13.751 29.347 37.498 1.00 1.00 C ATOM 726 NE ARG A 47 -14.604 30.544 37.770 1.00 1.00 N ATOM 727 CZ ARG A 47 -14.293 31.496 38.660 1.00 1.00 C ATOM 728 NH1 ARG A 47 -13.235 31.407 39.455 1.00 1.00 N ATOM 729 NH2 ARG A 47 -15.078 32.566 38.743 1.00 1.00 N ATOM 0 H ARG A 47 -12.582 26.077 33.271 1.00 1.00 H new ATOM 0 HA ARG A 47 -14.844 26.040 35.135 1.00 1.00 H new ATOM 0 HB2 ARG A 47 -13.085 26.894 36.552 1.00 1.00 H new ATOM 0 HB3 ARG A 47 -12.531 27.992 35.304 1.00 1.00 H new ATOM 0 HG2 ARG A 47 -14.548 29.352 35.500 1.00 1.00 H new ATOM 0 HG3 ARG A 47 -15.300 28.181 36.565 1.00 1.00 H new ATOM 0 HD2 ARG A 47 -13.730 28.687 38.365 1.00 1.00 H new ATOM 0 HD3 ARG A 47 -12.722 29.647 37.300 1.00 1.00 H new ATOM 0 HE ARG A 47 -15.474 30.642 37.247 1.00 1.00 H new ATOM 0 HH11 ARG A 47 -12.624 30.592 39.402 1.00 1.00 H new ATOM 0 HH12 ARG A 47 -13.032 32.154 40.120 1.00 1.00 H new ATOM 0 HH21 ARG A 47 -15.895 32.648 38.137 1.00 1.00 H new ATOM 0 HH22 ARG A 47 -14.863 33.305 39.412 1.00 1.00 H new ATOM 743 N VAL A 48 -15.968 27.644 33.517 1.00 1.00 N ATOM 744 CA VAL A 48 -16.662 28.345 32.457 1.00 1.00 C ATOM 745 C VAL A 48 -16.715 29.834 32.739 1.00 1.00 C ATOM 746 O VAL A 48 -17.171 30.296 33.789 1.00 1.00 O ATOM 747 CB VAL A 48 -18.082 27.846 32.223 1.00 1.00 C ATOM 748 CG1 VAL A 48 -18.659 28.448 30.923 1.00 1.00 C ATOM 749 CG2 VAL A 48 -18.087 26.309 32.144 1.00 1.00 C ATOM 0 H VAL A 48 -16.581 27.324 34.267 1.00 1.00 H new ATOM 0 HA VAL A 48 -16.086 28.144 31.554 1.00 1.00 H new ATOM 0 HB VAL A 48 -18.708 28.163 33.057 1.00 1.00 H new ATOM 0 HG11 VAL A 48 -19.674 28.081 30.771 1.00 1.00 H new ATOM 0 HG12 VAL A 48 -18.674 29.535 31.001 1.00 1.00 H new ATOM 0 HG13 VAL A 48 -18.037 28.153 30.078 1.00 1.00 H new ATOM 0 HG21 VAL A 48 -19.105 25.957 31.977 1.00 1.00 H new ATOM 0 HG22 VAL A 48 -17.451 25.985 31.320 1.00 1.00 H new ATOM 0 HG23 VAL A 48 -17.709 25.895 33.079 1.00 1.00 H new ATOM 759 N TYR A 49 -16.266 30.619 31.758 1.00 1.00 N ATOM 760 CA TYR A 49 -16.214 32.062 31.799 1.00 1.00 C ATOM 761 C TYR A 49 -17.152 32.571 30.742 1.00 1.00 C ATOM 762 O TYR A 49 -17.118 32.158 29.581 1.00 1.00 O ATOM 763 CB TYR A 49 -14.784 32.591 31.527 1.00 1.00 C ATOM 764 CG TYR A 49 -13.902 32.307 32.711 1.00 1.00 C ATOM 765 CD1 TYR A 49 -13.858 33.209 33.786 1.00 1.00 C ATOM 766 CD2 TYR A 49 -13.124 31.138 32.777 1.00 1.00 C ATOM 767 CE1 TYR A 49 -13.058 32.955 34.907 1.00 1.00 C ATOM 768 CE2 TYR A 49 -12.321 30.881 33.897 1.00 1.00 C ATOM 769 CZ TYR A 49 -12.283 31.794 34.957 1.00 1.00 C ATOM 770 OH TYR A 49 -11.464 31.548 36.074 1.00 1.00 O ATOM 0 H TYR A 49 -15.916 30.239 30.879 1.00 1.00 H new ATOM 0 HA TYR A 49 -16.501 32.410 32.791 1.00 1.00 H new ATOM 0 HB2 TYR A 49 -14.375 32.117 30.635 1.00 1.00 H new ATOM 0 HB3 TYR A 49 -14.814 33.663 31.333 1.00 1.00 H new ATOM 0 HD1 TYR A 49 -14.450 34.112 33.748 1.00 1.00 H new ATOM 0 HD2 TYR A 49 -13.145 30.433 31.959 1.00 1.00 H new ATOM 0 HE1 TYR A 49 -13.040 33.654 35.730 1.00 1.00 H new ATOM 0 HE2 TYR A 49 -11.731 29.977 33.942 1.00 1.00 H new ATOM 0 HH TYR A 49 -11.988 31.658 36.895 1.00 1.00 H new ATOM 780 N SER A 50 -18.047 33.490 31.147 1.00 1.00 N ATOM 781 CA SER A 50 -18.910 34.227 30.248 1.00 1.00 C ATOM 782 C SER A 50 -18.113 35.135 29.328 1.00 1.00 C ATOM 783 O SER A 50 -16.955 35.464 29.590 1.00 1.00 O ATOM 784 CB SER A 50 -20.019 35.031 30.990 1.00 1.00 C ATOM 785 OG SER A 50 -19.516 36.221 31.602 1.00 1.00 O ATOM 0 H SER A 50 -18.182 33.735 32.128 1.00 1.00 H new ATOM 0 HA SER A 50 -19.417 33.478 29.639 1.00 1.00 H new ATOM 0 HB2 SER A 50 -20.806 35.294 30.284 1.00 1.00 H new ATOM 0 HB3 SER A 50 -20.473 34.398 31.752 1.00 1.00 H new ATOM 0 HG SER A 50 -20.248 36.691 32.053 1.00 1.00 H new ATOM 791 N ARG A 51 -18.710 35.586 28.209 1.00 1.00 N ATOM 792 CA ARG A 51 -18.068 36.543 27.324 1.00 1.00 C ATOM 793 C ARG A 51 -17.757 37.854 28.034 1.00 1.00 C ATOM 794 O ARG A 51 -16.687 38.428 27.852 1.00 1.00 O ATOM 795 CB ARG A 51 -18.904 36.762 26.043 1.00 1.00 C ATOM 796 CG ARG A 51 -19.010 35.459 25.227 1.00 1.00 C ATOM 797 CD ARG A 51 -19.760 35.597 23.898 1.00 1.00 C ATOM 798 NE ARG A 51 -19.731 34.257 23.233 1.00 1.00 N ATOM 799 CZ ARG A 51 -20.518 33.223 23.545 1.00 1.00 C ATOM 800 NH1 ARG A 51 -21.424 33.249 24.515 1.00 1.00 N ATOM 801 NH2 ARG A 51 -20.408 32.115 22.821 1.00 1.00 N ATOM 0 H ARG A 51 -19.639 35.294 27.906 1.00 1.00 H new ATOM 0 HA ARG A 51 -17.110 36.120 27.021 1.00 1.00 H new ATOM 0 HB2 ARG A 51 -19.902 37.111 26.310 1.00 1.00 H new ATOM 0 HB3 ARG A 51 -18.446 37.541 25.434 1.00 1.00 H new ATOM 0 HG2 ARG A 51 -18.005 35.090 25.025 1.00 1.00 H new ATOM 0 HG3 ARG A 51 -19.510 34.705 25.835 1.00 1.00 H new ATOM 0 HD2 ARG A 51 -20.787 35.920 24.068 1.00 1.00 H new ATOM 0 HD3 ARG A 51 -19.289 36.350 23.267 1.00 1.00 H new ATOM 0 HE ARG A 51 -19.056 34.122 22.481 1.00 1.00 H new ATOM 0 HH11 ARG A 51 -21.550 34.094 25.072 1.00 1.00 H new ATOM 0 HH12 ARG A 51 -21.994 32.424 24.703 1.00 1.00 H new ATOM 0 HH21 ARG A 51 -19.738 32.072 22.053 1.00 1.00 H new ATOM 0 HH22 ARG A 51 -20.994 31.307 23.033 1.00 1.00 H new ATOM 815 N GLU A 52 -18.653 38.298 28.938 1.00 1.00 N ATOM 816 CA GLU A 52 -18.402 39.409 29.837 1.00 1.00 C ATOM 817 C GLU A 52 -17.206 39.205 30.775 1.00 1.00 C ATOM 818 O GLU A 52 -16.383 40.108 30.931 1.00 1.00 O ATOM 819 CB GLU A 52 -19.660 39.701 30.685 1.00 1.00 C ATOM 820 CG GLU A 52 -19.592 41.031 31.476 1.00 1.00 C ATOM 821 CD GLU A 52 -20.711 41.147 32.488 1.00 1.00 C ATOM 822 OE1 GLU A 52 -20.669 40.396 33.498 1.00 1.00 O ATOM 823 OE2 GLU A 52 -21.632 41.996 32.320 1.00 1.00 O ATOM 0 H GLU A 52 -19.577 37.881 29.054 1.00 1.00 H new ATOM 0 HA GLU A 52 -18.155 40.253 29.193 1.00 1.00 H new ATOM 0 HB2 GLU A 52 -20.530 39.724 30.029 1.00 1.00 H new ATOM 0 HB3 GLU A 52 -19.811 38.880 31.386 1.00 1.00 H new ATOM 0 HG2 GLU A 52 -18.632 41.100 31.988 1.00 1.00 H new ATOM 0 HG3 GLU A 52 -19.643 41.869 30.781 1.00 1.00 H new ATOM 830 N GLN A 53 -17.020 38.010 31.401 1.00 1.00 N ATOM 831 CA GLN A 53 -15.863 37.762 32.245 1.00 1.00 C ATOM 832 C GLN A 53 -14.563 37.801 31.456 1.00 1.00 C ATOM 833 O GLN A 53 -13.569 38.396 31.871 1.00 1.00 O ATOM 834 CB GLN A 53 -15.976 36.397 32.954 1.00 1.00 C ATOM 835 CG GLN A 53 -17.122 36.331 33.987 1.00 1.00 C ATOM 836 CD GLN A 53 -17.261 34.913 34.529 1.00 1.00 C ATOM 837 OE1 GLN A 53 -18.029 34.099 34.006 1.00 1.00 O ATOM 838 NE2 GLN A 53 -16.486 34.585 35.585 1.00 1.00 N ATOM 0 H GLN A 53 -17.663 37.222 31.325 1.00 1.00 H new ATOM 0 HA GLN A 53 -15.846 38.561 32.987 1.00 1.00 H new ATOM 0 HB2 GLN A 53 -16.127 35.619 32.205 1.00 1.00 H new ATOM 0 HB3 GLN A 53 -15.033 36.178 33.455 1.00 1.00 H new ATOM 0 HG2 GLN A 53 -16.924 37.023 34.805 1.00 1.00 H new ATOM 0 HG3 GLN A 53 -18.058 36.644 33.524 1.00 1.00 H new ATOM 0 HE21 GLN A 53 -15.862 35.280 35.995 1.00 1.00 H new ATOM 0 HE22 GLN A 53 -16.525 33.642 35.973 1.00 1.00 H new ATOM 847 N LEU A 54 -14.558 37.211 30.245 1.00 1.00 N ATOM 848 CA LEU A 54 -13.431 37.286 29.336 1.00 1.00 C ATOM 849 C LEU A 54 -13.109 38.715 28.913 1.00 1.00 C ATOM 850 O LEU A 54 -11.948 39.120 28.925 1.00 1.00 O ATOM 851 CB LEU A 54 -13.655 36.381 28.100 1.00 1.00 C ATOM 852 CG LEU A 54 -13.806 34.882 28.440 1.00 1.00 C ATOM 853 CD1 LEU A 54 -14.149 34.070 27.184 1.00 1.00 C ATOM 854 CD2 LEU A 54 -12.555 34.303 29.120 1.00 1.00 C ATOM 0 H LEU A 54 -15.344 36.671 29.882 1.00 1.00 H new ATOM 0 HA LEU A 54 -12.563 36.919 29.884 1.00 1.00 H new ATOM 0 HB2 LEU A 54 -14.549 36.716 27.574 1.00 1.00 H new ATOM 0 HB3 LEU A 54 -12.817 36.505 27.414 1.00 1.00 H new ATOM 0 HG LEU A 54 -14.628 34.805 29.152 1.00 1.00 H new ATOM 0 HD11 LEU A 54 -14.250 33.017 27.448 1.00 1.00 H new ATOM 0 HD12 LEU A 54 -15.087 34.431 26.763 1.00 1.00 H new ATOM 0 HD13 LEU A 54 -13.353 34.185 26.448 1.00 1.00 H new ATOM 0 HD21 LEU A 54 -12.715 33.247 29.337 1.00 1.00 H new ATOM 0 HD22 LEU A 54 -11.697 34.411 28.456 1.00 1.00 H new ATOM 0 HD23 LEU A 54 -12.365 34.840 30.049 1.00 1.00 H new ATOM 866 N LEU A 55 -14.123 39.551 28.608 1.00 1.00 N ATOM 867 CA LEU A 55 -13.954 40.977 28.358 1.00 1.00 C ATOM 868 C LEU A 55 -13.357 41.744 29.537 1.00 1.00 C ATOM 869 O LEU A 55 -12.480 42.590 29.359 1.00 1.00 O ATOM 870 CB LEU A 55 -15.287 41.620 27.898 1.00 1.00 C ATOM 871 CG LEU A 55 -15.707 41.204 26.468 1.00 1.00 C ATOM 872 CD1 LEU A 55 -17.165 41.586 26.173 1.00 1.00 C ATOM 873 CD2 LEU A 55 -14.783 41.818 25.410 1.00 1.00 C ATOM 0 H LEU A 55 -15.091 39.239 28.530 1.00 1.00 H new ATOM 0 HA LEU A 55 -13.224 41.054 27.552 1.00 1.00 H new ATOM 0 HB2 LEU A 55 -16.076 41.342 28.596 1.00 1.00 H new ATOM 0 HB3 LEU A 55 -15.192 42.705 27.940 1.00 1.00 H new ATOM 0 HG LEU A 55 -15.618 40.119 26.418 1.00 1.00 H new ATOM 0 HD11 LEU A 55 -17.424 41.278 25.160 1.00 1.00 H new ATOM 0 HD12 LEU A 55 -17.823 41.086 26.884 1.00 1.00 H new ATOM 0 HD13 LEU A 55 -17.284 42.665 26.266 1.00 1.00 H new ATOM 0 HD21 LEU A 55 -15.107 41.505 24.418 1.00 1.00 H new ATOM 0 HD22 LEU A 55 -14.823 42.905 25.479 1.00 1.00 H new ATOM 0 HD23 LEU A 55 -13.760 41.481 25.581 1.00 1.00 H new ATOM 885 N ASN A 56 -13.764 41.436 30.785 1.00 1.00 N ATOM 886 CA ASN A 56 -13.153 42.012 31.978 1.00 1.00 C ATOM 887 C ASN A 56 -11.678 41.630 32.140 1.00 1.00 C ATOM 888 O ASN A 56 -10.811 42.478 32.351 1.00 1.00 O ATOM 889 CB ASN A 56 -13.914 41.590 33.271 1.00 1.00 C ATOM 890 CG ASN A 56 -15.173 42.422 33.512 1.00 1.00 C ATOM 891 OD1 ASN A 56 -15.310 43.065 34.558 1.00 1.00 O ATOM 892 ND2 ASN A 56 -16.129 42.406 32.563 1.00 1.00 N ATOM 0 H ASN A 56 -14.522 40.783 30.983 1.00 1.00 H new ATOM 0 HA ASN A 56 -13.219 43.091 31.839 1.00 1.00 H new ATOM 0 HB2 ASN A 56 -14.187 40.537 33.200 1.00 1.00 H new ATOM 0 HB3 ASN A 56 -13.248 41.689 34.128 1.00 1.00 H new ATOM 0 HD21 ASN A 56 -16.991 42.933 32.699 1.00 1.00 H new ATOM 0 HD22 ASN A 56 -15.990 41.867 31.708 1.00 1.00 H new ATOM 899 N HIS A 57 -11.348 40.333 32.010 1.00 1.00 N ATOM 900 CA HIS A 57 -9.995 39.841 32.227 1.00 1.00 C ATOM 901 C HIS A 57 -9.008 40.078 31.084 1.00 1.00 C ATOM 902 O HIS A 57 -7.837 40.383 31.315 1.00 1.00 O ATOM 903 CB HIS A 57 -10.016 38.340 32.591 1.00 1.00 C ATOM 904 CG HIS A 57 -10.804 38.069 33.840 1.00 1.00 C ATOM 905 ND1 HIS A 57 -10.457 38.707 35.020 1.00 1.00 N ATOM 906 CD2 HIS A 57 -11.907 37.299 34.029 1.00 1.00 C ATOM 907 CE1 HIS A 57 -11.366 38.314 35.899 1.00 1.00 C ATOM 908 NE2 HIS A 57 -12.265 37.465 35.348 1.00 1.00 N ATOM 0 H HIS A 57 -12.016 39.606 31.752 1.00 1.00 H new ATOM 0 HA HIS A 57 -9.622 40.442 33.057 1.00 1.00 H new ATOM 0 HB2 HIS A 57 -10.444 37.773 31.764 1.00 1.00 H new ATOM 0 HB3 HIS A 57 -8.994 37.986 32.725 1.00 1.00 H new ATOM 0 HD2 HIS A 57 -12.402 36.682 33.294 1.00 1.00 H new ATOM 0 HE1 HIS A 57 -11.388 38.632 36.931 1.00 1.00 H new ATOM 0 HE2 HIS A 57 -13.058 37.031 35.821 1.00 1.00 H new ATOM 916 N VAL A 58 -9.434 39.919 29.813 1.00 1.00 N ATOM 917 CA VAL A 58 -8.512 39.862 28.682 1.00 1.00 C ATOM 918 C VAL A 58 -8.545 41.138 27.853 1.00 1.00 C ATOM 919 O VAL A 58 -7.529 41.554 27.295 1.00 1.00 O ATOM 920 CB VAL A 58 -8.844 38.639 27.825 1.00 1.00 C ATOM 921 CG1 VAL A 58 -8.030 38.594 26.516 1.00 1.00 C ATOM 922 CG2 VAL A 58 -8.573 37.374 28.664 1.00 1.00 C ATOM 0 H VAL A 58 -10.416 39.828 29.554 1.00 1.00 H new ATOM 0 HA VAL A 58 -7.497 39.771 29.068 1.00 1.00 H new ATOM 0 HB VAL A 58 -9.893 38.696 27.534 1.00 1.00 H new ATOM 0 HG11 VAL A 58 -8.305 37.706 25.947 1.00 1.00 H new ATOM 0 HG12 VAL A 58 -8.243 39.485 25.925 1.00 1.00 H new ATOM 0 HG13 VAL A 58 -6.966 38.559 26.750 1.00 1.00 H new ATOM 0 HG21 VAL A 58 -8.803 36.488 28.072 1.00 1.00 H new ATOM 0 HG22 VAL A 58 -7.524 37.351 28.959 1.00 1.00 H new ATOM 0 HG23 VAL A 58 -9.200 37.387 29.555 1.00 1.00 H new ATOM 932 N TRP A 59 -9.690 41.847 27.801 1.00 1.00 N ATOM 933 CA TRP A 59 -9.787 43.112 27.083 1.00 1.00 C ATOM 934 C TRP A 59 -9.701 44.281 28.059 1.00 1.00 C ATOM 935 O TRP A 59 -9.429 45.417 27.681 1.00 1.00 O ATOM 936 CB TRP A 59 -11.104 43.187 26.265 1.00 1.00 C ATOM 937 CG TRP A 59 -11.113 42.402 24.956 1.00 1.00 C ATOM 938 CD1 TRP A 59 -11.015 42.917 23.693 1.00 1.00 C ATOM 939 CD2 TRP A 59 -11.321 40.982 24.789 1.00 1.00 C ATOM 940 NE1 TRP A 59 -11.157 41.923 22.752 1.00 1.00 N ATOM 941 CE2 TRP A 59 -11.363 40.730 23.402 1.00 1.00 C ATOM 942 CE3 TRP A 59 -11.495 39.947 25.702 1.00 1.00 C ATOM 943 CZ2 TRP A 59 -11.592 39.450 22.918 1.00 1.00 C ATOM 944 CZ3 TRP A 59 -11.716 38.652 25.211 1.00 1.00 C ATOM 945 CH2 TRP A 59 -11.770 38.404 23.833 1.00 1.00 C ATOM 0 H TRP A 59 -10.557 41.555 28.252 1.00 1.00 H new ATOM 0 HA TRP A 59 -8.951 43.173 26.386 1.00 1.00 H new ATOM 0 HB2 TRP A 59 -11.920 42.825 26.890 1.00 1.00 H new ATOM 0 HB3 TRP A 59 -11.313 44.233 26.042 1.00 1.00 H new ATOM 0 HD1 TRP A 59 -10.849 43.960 23.465 1.00 1.00 H new ATOM 0 HE1 TRP A 59 -11.116 42.051 21.741 1.00 1.00 H new ATOM 0 HE3 TRP A 59 -11.461 40.136 26.765 1.00 1.00 H new ATOM 0 HZ2 TRP A 59 -11.632 39.263 21.855 1.00 1.00 H new ATOM 0 HZ3 TRP A 59 -11.846 37.835 25.905 1.00 1.00 H new ATOM 0 HH2 TRP A 59 -11.950 37.401 23.474 1.00 1.00 H new ATOM 956 N GLY A 60 -9.846 44.013 29.370 1.00 1.00 N ATOM 957 CA GLY A 60 -9.512 44.946 30.442 1.00 1.00 C ATOM 958 C GLY A 60 -10.652 45.806 30.902 1.00 1.00 C ATOM 959 O GLY A 60 -10.433 46.887 31.449 1.00 1.00 O ATOM 0 H GLY A 60 -10.206 43.122 29.712 1.00 1.00 H new ATOM 0 HA2 GLY A 60 -9.135 44.380 31.294 1.00 1.00 H new ATOM 0 HA3 GLY A 60 -8.701 45.591 30.104 1.00 1.00 H new ATOM 963 N THR A 61 -11.904 45.367 30.674 1.00 1.00 N ATOM 964 CA THR A 61 -13.128 45.943 31.249 1.00 1.00 C ATOM 965 C THR A 61 -13.591 47.197 30.539 1.00 1.00 C ATOM 966 O THR A 61 -14.754 47.331 30.166 1.00 1.00 O ATOM 967 CB THR A 61 -13.123 46.181 32.765 1.00 1.00 C ATOM 968 OG1 THR A 61 -12.716 44.999 33.437 1.00 1.00 O ATOM 969 CG2 THR A 61 -14.533 46.505 33.281 1.00 1.00 C ATOM 0 H THR A 61 -12.095 44.573 30.062 1.00 1.00 H new ATOM 0 HA THR A 61 -13.846 45.141 31.076 1.00 1.00 H new ATOM 0 HB THR A 61 -12.444 47.012 32.956 1.00 1.00 H new ATOM 0 HG1 THR A 61 -12.713 45.157 34.404 1.00 1.00 H new ATOM 0 HG21 THR A 61 -14.498 46.669 34.358 1.00 1.00 H new ATOM 0 HG22 THR A 61 -14.903 47.405 32.789 1.00 1.00 H new ATOM 0 HG23 THR A 61 -15.201 45.672 33.062 1.00 1.00 H new ATOM 977 N ASN A 62 -12.673 48.148 30.291 1.00 1.00 N ATOM 978 CA ASN A 62 -12.938 49.463 29.729 1.00 1.00 C ATOM 979 C ASN A 62 -12.829 49.458 28.202 1.00 1.00 C ATOM 980 O ASN A 62 -12.390 50.420 27.566 1.00 1.00 O ATOM 981 CB ASN A 62 -11.981 50.516 30.346 1.00 1.00 C ATOM 982 CG ASN A 62 -12.109 50.498 31.867 1.00 1.00 C ATOM 983 OD1 ASN A 62 -13.209 50.451 32.426 1.00 1.00 O ATOM 984 ND2 ASN A 62 -10.964 50.533 32.581 1.00 1.00 N ATOM 0 H ASN A 62 -11.683 48.003 30.490 1.00 1.00 H new ATOM 0 HA ASN A 62 -13.964 49.732 29.980 1.00 1.00 H new ATOM 0 HB2 ASN A 62 -10.953 50.302 30.055 1.00 1.00 H new ATOM 0 HB3 ASN A 62 -12.220 51.508 29.963 1.00 1.00 H new ATOM 0 HD21 ASN A 62 -10.998 50.521 33.600 1.00 1.00 H new ATOM 0 HD22 ASN A 62 -10.065 50.572 32.101 1.00 1.00 H new ATOM 991 N VAL A 63 -13.232 48.333 27.590 1.00 1.00 N ATOM 992 CA VAL A 63 -13.334 48.116 26.168 1.00 1.00 C ATOM 993 C VAL A 63 -14.748 47.655 25.936 1.00 1.00 C ATOM 994 O VAL A 63 -15.315 46.855 26.678 1.00 1.00 O ATOM 995 CB VAL A 63 -12.335 47.075 25.683 1.00 1.00 C ATOM 996 CG1 VAL A 63 -12.538 46.741 24.196 1.00 1.00 C ATOM 997 CG2 VAL A 63 -10.902 47.597 25.898 1.00 1.00 C ATOM 0 H VAL A 63 -13.509 47.509 28.123 1.00 1.00 H new ATOM 0 HA VAL A 63 -13.104 49.025 25.612 1.00 1.00 H new ATOM 0 HB VAL A 63 -12.496 46.164 26.259 1.00 1.00 H new ATOM 0 HG11 VAL A 63 -11.806 45.994 23.888 1.00 1.00 H new ATOM 0 HG12 VAL A 63 -13.543 46.347 24.045 1.00 1.00 H new ATOM 0 HG13 VAL A 63 -12.409 47.644 23.599 1.00 1.00 H new ATOM 0 HG21 VAL A 63 -10.187 46.851 25.551 1.00 1.00 H new ATOM 0 HG22 VAL A 63 -10.763 48.521 25.337 1.00 1.00 H new ATOM 0 HG23 VAL A 63 -10.740 47.788 26.959 1.00 1.00 H new ATOM 1007 N TYR A 64 -15.374 48.252 24.922 1.00 1.00 N ATOM 1008 CA TYR A 64 -16.805 48.493 24.921 1.00 1.00 C ATOM 1009 C TYR A 64 -17.540 47.794 23.805 1.00 1.00 C ATOM 1010 O TYR A 64 -18.743 47.966 23.589 1.00 1.00 O ATOM 1011 CB TYR A 64 -17.007 50.003 24.739 1.00 1.00 C ATOM 1012 CG TYR A 64 -16.521 50.762 25.941 1.00 1.00 C ATOM 1013 CD1 TYR A 64 -16.988 50.473 27.236 1.00 1.00 C ATOM 1014 CD2 TYR A 64 -15.560 51.769 25.775 1.00 1.00 C ATOM 1015 CE1 TYR A 64 -16.469 51.156 28.346 1.00 1.00 C ATOM 1016 CE2 TYR A 64 -15.041 52.452 26.881 1.00 1.00 C ATOM 1017 CZ TYR A 64 -15.487 52.137 28.169 1.00 1.00 C ATOM 1018 OH TYR A 64 -14.930 52.791 29.284 1.00 1.00 O ATOM 0 H TYR A 64 -14.898 48.580 24.081 1.00 1.00 H new ATOM 0 HA TYR A 64 -17.206 48.106 25.858 1.00 1.00 H new ATOM 0 HB2 TYR A 64 -16.472 50.340 23.851 1.00 1.00 H new ATOM 0 HB3 TYR A 64 -18.063 50.215 24.574 1.00 1.00 H new ATOM 0 HD1 TYR A 64 -17.750 49.721 27.377 1.00 1.00 H new ATOM 0 HD2 TYR A 64 -15.216 52.021 24.783 1.00 1.00 H new ATOM 0 HE1 TYR A 64 -16.828 50.924 29.338 1.00 1.00 H new ATOM 0 HE2 TYR A 64 -14.297 53.222 26.740 1.00 1.00 H new ATOM 0 HH TYR A 64 -14.262 53.442 28.982 1.00 1.00 H new ATOM 1028 N VAL A 65 -16.775 46.979 23.094 1.00 1.00 N ATOM 1029 CA VAL A 65 -17.125 46.028 22.049 1.00 1.00 C ATOM 1030 C VAL A 65 -18.389 45.198 22.277 1.00 1.00 C ATOM 1031 O VAL A 65 -18.860 44.987 23.400 1.00 1.00 O ATOM 1032 CB VAL A 65 -15.959 45.110 21.707 1.00 1.00 C ATOM 1033 CG1 VAL A 65 -14.777 45.958 21.215 1.00 1.00 C ATOM 1034 CG2 VAL A 65 -15.530 44.265 22.915 1.00 1.00 C ATOM 0 H VAL A 65 -15.768 46.968 23.257 1.00 1.00 H new ATOM 0 HA VAL A 65 -17.361 46.675 21.204 1.00 1.00 H new ATOM 0 HB VAL A 65 -16.281 44.424 20.923 1.00 1.00 H new ATOM 0 HG11 VAL A 65 -13.939 45.306 20.969 1.00 1.00 H new ATOM 0 HG12 VAL A 65 -15.075 46.517 20.328 1.00 1.00 H new ATOM 0 HG13 VAL A 65 -14.477 46.654 21.999 1.00 1.00 H new ATOM 0 HG21 VAL A 65 -14.696 43.623 22.632 1.00 1.00 H new ATOM 0 HG22 VAL A 65 -15.222 44.922 23.728 1.00 1.00 H new ATOM 0 HG23 VAL A 65 -16.367 43.649 23.244 1.00 1.00 H new ATOM 1044 N GLU A 66 -18.980 44.694 21.177 1.00 1.00 N ATOM 1045 CA GLU A 66 -19.973 43.635 21.189 1.00 1.00 C ATOM 1046 C GLU A 66 -19.478 42.339 21.829 1.00 1.00 C ATOM 1047 O GLU A 66 -18.283 42.078 21.944 1.00 1.00 O ATOM 1048 CB GLU A 66 -20.442 43.264 19.761 1.00 1.00 C ATOM 1049 CG GLU A 66 -21.080 44.418 18.958 1.00 1.00 C ATOM 1050 CD GLU A 66 -21.521 43.914 17.592 1.00 1.00 C ATOM 1051 OE1 GLU A 66 -21.066 42.944 17.009 1.00 1.00 O ATOM 1052 OE2 GLU A 66 -22.513 44.675 17.038 1.00 1.00 O ATOM 0 H GLU A 66 -18.766 45.029 20.238 1.00 1.00 H new ATOM 0 HA GLU A 66 -20.789 44.050 21.781 1.00 1.00 H new ATOM 0 HB2 GLU A 66 -19.587 42.883 19.202 1.00 1.00 H new ATOM 0 HB3 GLU A 66 -21.164 42.450 19.833 1.00 1.00 H new ATOM 0 HG2 GLU A 66 -21.935 44.821 19.500 1.00 1.00 H new ATOM 0 HG3 GLU A 66 -20.364 45.232 18.842 1.00 1.00 H new ATOM 1060 N ASP A 67 -20.415 41.444 22.199 1.00 1.00 N ATOM 1061 CA ASP A 67 -20.110 40.112 22.696 1.00 1.00 C ATOM 1062 C ASP A 67 -19.286 39.270 21.709 1.00 1.00 C ATOM 1063 O ASP A 67 -18.466 38.442 22.098 1.00 1.00 O ATOM 1064 CB ASP A 67 -21.415 39.327 23.006 1.00 1.00 C ATOM 1065 CG ASP A 67 -22.287 40.031 24.019 1.00 1.00 C ATOM 1066 OD1 ASP A 67 -21.830 40.285 25.161 1.00 1.00 O ATOM 1067 OD2 ASP A 67 -23.467 40.327 23.690 1.00 1.00 O ATOM 0 H ASP A 67 -21.415 41.641 22.156 1.00 1.00 H new ATOM 0 HA ASP A 67 -19.519 40.269 23.599 1.00 1.00 H new ATOM 0 HB2 ASP A 67 -21.978 39.185 22.083 1.00 1.00 H new ATOM 0 HB3 ASP A 67 -21.159 38.335 23.379 1.00 1.00 H new ATOM 1072 N ARG A 68 -19.483 39.462 20.388 1.00 1.00 N ATOM 1073 CA ARG A 68 -19.099 38.493 19.385 1.00 1.00 C ATOM 1074 C ARG A 68 -17.712 38.692 18.817 1.00 1.00 C ATOM 1075 O ARG A 68 -17.237 37.883 18.021 1.00 1.00 O ATOM 1076 CB ARG A 68 -20.129 38.494 18.230 1.00 1.00 C ATOM 1077 CG ARG A 68 -21.544 38.074 18.674 1.00 1.00 C ATOM 1078 CD ARG A 68 -21.583 36.653 19.243 1.00 1.00 C ATOM 1079 NE ARG A 68 -22.979 36.362 19.666 1.00 1.00 N ATOM 1080 CZ ARG A 68 -23.270 35.316 20.445 1.00 1.00 C ATOM 1081 NH1 ARG A 68 -22.375 34.381 20.759 1.00 1.00 N ATOM 1082 NH2 ARG A 68 -24.488 35.165 20.955 1.00 1.00 N ATOM 0 H ARG A 68 -19.916 40.302 20.004 1.00 1.00 H new ATOM 0 HA ARG A 68 -19.083 37.532 19.899 1.00 1.00 H new ATOM 0 HB2 ARG A 68 -20.174 39.492 17.794 1.00 1.00 H new ATOM 0 HB3 ARG A 68 -19.786 37.818 17.446 1.00 1.00 H new ATOM 0 HG2 ARG A 68 -21.907 38.773 19.427 1.00 1.00 H new ATOM 0 HG3 ARG A 68 -22.223 38.140 17.824 1.00 1.00 H new ATOM 0 HD2 ARG A 68 -21.255 35.934 18.493 1.00 1.00 H new ATOM 0 HD3 ARG A 68 -20.902 36.563 20.090 1.00 1.00 H new ATOM 0 HE ARG A 68 -23.732 36.975 19.354 1.00 1.00 H new ATOM 0 HH11 ARG A 68 -21.422 34.446 20.401 1.00 1.00 H new ATOM 0 HH12 ARG A 68 -22.642 33.600 21.358 1.00 1.00 H new ATOM 0 HH21 ARG A 68 -25.214 35.852 20.753 1.00 1.00 H new ATOM 0 HH22 ARG A 68 -24.697 34.362 21.548 1.00 1.00 H new ATOM 1096 N THR A 69 -16.956 39.712 19.273 1.00 1.00 N ATOM 1097 CA THR A 69 -15.524 39.722 18.997 1.00 1.00 C ATOM 1098 C THR A 69 -14.798 38.686 19.845 1.00 1.00 C ATOM 1099 O THR A 69 -13.743 38.179 19.462 1.00 1.00 O ATOM 1100 CB THR A 69 -14.902 41.111 19.058 1.00 1.00 C ATOM 1101 OG1 THR A 69 -13.542 41.124 18.635 1.00 1.00 O ATOM 1102 CG2 THR A 69 -14.936 41.750 20.437 1.00 1.00 C ATOM 0 H THR A 69 -17.304 40.505 19.812 1.00 1.00 H new ATOM 0 HA THR A 69 -15.396 39.424 17.956 1.00 1.00 H new ATOM 0 HB THR A 69 -15.528 41.687 18.377 1.00 1.00 H new ATOM 0 HG1 THR A 69 -13.190 42.037 18.692 1.00 1.00 H new ATOM 0 HG21 THR A 69 -14.474 42.736 20.393 1.00 1.00 H new ATOM 0 HG22 THR A 69 -15.970 41.849 20.767 1.00 1.00 H new ATOM 0 HG23 THR A 69 -14.389 41.124 21.142 1.00 1.00 H new ATOM 1110 N VAL A 70 -15.394 38.240 20.977 1.00 1.00 N ATOM 1111 CA VAL A 70 -14.917 37.081 21.721 1.00 1.00 C ATOM 1112 C VAL A 70 -15.009 35.800 20.892 1.00 1.00 C ATOM 1113 O VAL A 70 -14.025 35.077 20.756 1.00 1.00 O ATOM 1114 CB VAL A 70 -15.660 36.904 23.046 1.00 1.00 C ATOM 1115 CG1 VAL A 70 -15.028 35.764 23.869 1.00 1.00 C ATOM 1116 CG2 VAL A 70 -15.604 38.219 23.850 1.00 1.00 C ATOM 0 H VAL A 70 -16.216 38.682 21.388 1.00 1.00 H new ATOM 0 HA VAL A 70 -13.867 37.272 21.945 1.00 1.00 H new ATOM 0 HB VAL A 70 -16.699 36.649 22.836 1.00 1.00 H new ATOM 0 HG11 VAL A 70 -15.568 35.651 24.809 1.00 1.00 H new ATOM 0 HG12 VAL A 70 -15.084 34.833 23.304 1.00 1.00 H new ATOM 0 HG13 VAL A 70 -13.984 36.000 24.077 1.00 1.00 H new ATOM 0 HG21 VAL A 70 -16.134 38.091 24.794 1.00 1.00 H new ATOM 0 HG22 VAL A 70 -14.565 38.479 24.050 1.00 1.00 H new ATOM 0 HG23 VAL A 70 -16.074 39.017 23.275 1.00 1.00 H new ATOM 1126 N ASP A 71 -16.159 35.542 20.233 1.00 1.00 N ATOM 1127 CA ASP A 71 -16.406 34.411 19.346 1.00 1.00 C ATOM 1128 C ASP A 71 -15.436 34.360 18.166 1.00 1.00 C ATOM 1129 O ASP A 71 -14.880 33.312 17.830 1.00 1.00 O ATOM 1130 CB ASP A 71 -17.850 34.480 18.751 1.00 1.00 C ATOM 1131 CG ASP A 71 -18.955 34.489 19.789 1.00 1.00 C ATOM 1132 OD1 ASP A 71 -18.838 35.206 20.810 1.00 1.00 O ATOM 1133 OD2 ASP A 71 -20.006 33.834 19.554 1.00 1.00 O ATOM 0 H ASP A 71 -16.972 36.152 20.317 1.00 1.00 H new ATOM 0 HA ASP A 71 -16.271 33.522 19.962 1.00 1.00 H new ATOM 0 HB2 ASP A 71 -17.935 35.378 18.139 1.00 1.00 H new ATOM 0 HB3 ASP A 71 -17.998 33.628 18.088 1.00 1.00 H new ATOM 1138 N VAL A 72 -15.183 35.518 17.522 1.00 1.00 N ATOM 1139 CA VAL A 72 -14.187 35.678 16.468 1.00 1.00 C ATOM 1140 C VAL A 72 -12.760 35.433 16.958 1.00 1.00 C ATOM 1141 O VAL A 72 -11.976 34.728 16.327 1.00 1.00 O ATOM 1142 CB VAL A 72 -14.336 37.046 15.806 1.00 1.00 C ATOM 1143 CG1 VAL A 72 -13.179 37.335 14.832 1.00 1.00 C ATOM 1144 CG2 VAL A 72 -15.675 37.065 15.040 1.00 1.00 C ATOM 0 H VAL A 72 -15.683 36.382 17.733 1.00 1.00 H new ATOM 0 HA VAL A 72 -14.375 34.909 15.719 1.00 1.00 H new ATOM 0 HB VAL A 72 -14.315 37.817 16.576 1.00 1.00 H new ATOM 0 HG11 VAL A 72 -13.320 38.317 14.381 1.00 1.00 H new ATOM 0 HG12 VAL A 72 -12.234 37.317 15.374 1.00 1.00 H new ATOM 0 HG13 VAL A 72 -13.163 36.575 14.050 1.00 1.00 H new ATOM 0 HG21 VAL A 72 -15.805 38.034 14.558 1.00 1.00 H new ATOM 0 HG22 VAL A 72 -15.673 36.280 14.283 1.00 1.00 H new ATOM 0 HG23 VAL A 72 -16.495 36.894 15.737 1.00 1.00 H new ATOM 1154 N HIS A 73 -12.387 35.951 18.142 1.00 1.00 N ATOM 1155 CA HIS A 73 -11.089 35.681 18.747 1.00 1.00 C ATOM 1156 C HIS A 73 -10.899 34.219 19.159 1.00 1.00 C ATOM 1157 O HIS A 73 -9.818 33.659 19.001 1.00 1.00 O ATOM 1158 CB HIS A 73 -10.850 36.615 19.952 1.00 1.00 C ATOM 1159 CG HIS A 73 -10.456 38.012 19.534 1.00 1.00 C ATOM 1160 ND1 HIS A 73 -9.172 38.291 19.181 1.00 1.00 N ATOM 1161 CD2 HIS A 73 -11.108 39.197 19.564 1.00 1.00 C ATOM 1162 CE1 HIS A 73 -9.024 39.592 19.026 1.00 1.00 C ATOM 1163 NE2 HIS A 73 -10.186 40.164 19.267 1.00 1.00 N ATOM 0 H HIS A 73 -12.982 36.566 18.698 1.00 1.00 H new ATOM 0 HA HIS A 73 -10.346 35.881 17.975 1.00 1.00 H new ATOM 0 HB2 HIS A 73 -11.756 36.662 20.556 1.00 1.00 H new ATOM 0 HB3 HIS A 73 -10.068 36.194 20.584 1.00 1.00 H new ATOM 0 HD1 HIS A 73 -8.434 37.598 19.055 1.00 1.00 H new ATOM 0 HD2 HIS A 73 -12.155 39.350 19.781 1.00 1.00 H new ATOM 0 HE1 HIS A 73 -8.111 40.099 18.750 1.00 1.00 H new ATOM 1172 N ILE A 74 -11.955 33.534 19.641 1.00 1.00 N ATOM 1173 CA ILE A 74 -11.976 32.090 19.881 1.00 1.00 C ATOM 1174 C ILE A 74 -11.726 31.276 18.610 1.00 1.00 C ATOM 1175 O ILE A 74 -10.954 30.316 18.615 1.00 1.00 O ATOM 1176 CB ILE A 74 -13.287 31.694 20.570 1.00 1.00 C ATOM 1177 CG1 ILE A 74 -13.290 32.134 22.058 1.00 1.00 C ATOM 1178 CG2 ILE A 74 -13.619 30.192 20.435 1.00 1.00 C ATOM 1179 CD1 ILE A 74 -12.358 31.337 22.982 1.00 1.00 C ATOM 0 H ILE A 74 -12.837 33.988 19.878 1.00 1.00 H new ATOM 0 HA ILE A 74 -11.148 31.850 20.548 1.00 1.00 H new ATOM 0 HB ILE A 74 -14.079 32.229 20.046 1.00 1.00 H new ATOM 0 HG12 ILE A 74 -13.011 33.186 22.109 1.00 1.00 H new ATOM 0 HG13 ILE A 74 -14.308 32.055 22.441 1.00 1.00 H new ATOM 0 HG21 ILE A 74 -14.559 29.980 20.945 1.00 1.00 H new ATOM 0 HG22 ILE A 74 -13.712 29.933 19.380 1.00 1.00 H new ATOM 0 HG23 ILE A 74 -12.821 29.601 20.885 1.00 1.00 H new ATOM 0 HD11 ILE A 74 -12.435 31.724 23.998 1.00 1.00 H new ATOM 0 HD12 ILE A 74 -12.646 30.286 22.971 1.00 1.00 H new ATOM 0 HD13 ILE A 74 -11.330 31.435 22.634 1.00 1.00 H new ATOM 1191 N ARG A 75 -12.319 31.674 17.462 1.00 1.00 N ATOM 1192 CA ARG A 75 -12.024 31.100 16.154 1.00 1.00 C ATOM 1193 C ARG A 75 -10.556 31.274 15.752 1.00 1.00 C ATOM 1194 O ARG A 75 -9.896 30.328 15.322 1.00 1.00 O ATOM 1195 CB ARG A 75 -12.981 31.720 15.092 1.00 1.00 C ATOM 1196 CG ARG A 75 -12.638 31.482 13.602 1.00 1.00 C ATOM 1197 CD ARG A 75 -12.551 30.012 13.184 1.00 1.00 C ATOM 1198 NE ARG A 75 -12.084 29.999 11.762 1.00 1.00 N ATOM 1199 CZ ARG A 75 -11.146 29.175 11.283 1.00 1.00 C ATOM 1200 NH1 ARG A 75 -10.666 28.135 11.950 1.00 1.00 N ATOM 1201 NH2 ARG A 75 -10.692 29.382 10.051 1.00 1.00 N ATOM 0 H ARG A 75 -13.022 32.412 17.430 1.00 1.00 H new ATOM 0 HA ARG A 75 -12.193 30.025 16.210 1.00 1.00 H new ATOM 0 HB2 ARG A 75 -13.983 31.332 15.274 1.00 1.00 H new ATOM 0 HB3 ARG A 75 -13.021 32.796 15.261 1.00 1.00 H new ATOM 0 HG2 ARG A 75 -13.392 31.974 12.988 1.00 1.00 H new ATOM 0 HG3 ARG A 75 -11.685 31.963 13.383 1.00 1.00 H new ATOM 0 HD2 ARG A 75 -11.857 29.467 13.825 1.00 1.00 H new ATOM 0 HD3 ARG A 75 -13.521 29.524 13.278 1.00 1.00 H new ATOM 0 HE ARG A 75 -12.510 30.663 11.115 1.00 1.00 H new ATOM 0 HH11 ARG A 75 -11.013 27.925 12.886 1.00 1.00 H new ATOM 0 HH12 ARG A 75 -9.950 27.544 11.527 1.00 1.00 H new ATOM 0 HH21 ARG A 75 -11.059 30.155 9.495 1.00 1.00 H new ATOM 0 HH22 ARG A 75 -9.977 28.768 9.661 1.00 1.00 H new ATOM 1215 N ARG A 76 -9.985 32.479 15.946 1.00 1.00 N ATOM 1216 CA ARG A 76 -8.571 32.751 15.728 1.00 1.00 C ATOM 1217 C ARG A 76 -7.639 31.939 16.632 1.00 1.00 C ATOM 1218 O ARG A 76 -6.588 31.468 16.192 1.00 1.00 O ATOM 1219 CB ARG A 76 -8.278 34.259 15.900 1.00 1.00 C ATOM 1220 CG ARG A 76 -8.945 35.148 14.830 1.00 1.00 C ATOM 1221 CD ARG A 76 -8.755 36.639 15.124 1.00 1.00 C ATOM 1222 NE ARG A 76 -9.429 37.415 14.032 1.00 1.00 N ATOM 1223 CZ ARG A 76 -9.847 38.677 14.190 1.00 1.00 C ATOM 1224 NH1 ARG A 76 -9.514 39.401 15.252 1.00 1.00 N ATOM 1225 NH2 ARG A 76 -10.648 39.223 13.279 1.00 1.00 N ATOM 0 H ARG A 76 -10.509 33.294 16.263 1.00 1.00 H new ATOM 0 HA ARG A 76 -8.363 32.440 14.704 1.00 1.00 H new ATOM 0 HB2 ARG A 76 -8.618 34.576 16.886 1.00 1.00 H new ATOM 0 HB3 ARG A 76 -7.200 34.416 15.869 1.00 1.00 H new ATOM 0 HG2 ARG A 76 -8.525 34.915 13.852 1.00 1.00 H new ATOM 0 HG3 ARG A 76 -10.010 34.921 14.782 1.00 1.00 H new ATOM 0 HD2 ARG A 76 -9.183 36.894 16.093 1.00 1.00 H new ATOM 0 HD3 ARG A 76 -7.694 36.887 15.169 1.00 1.00 H new ATOM 0 HE ARG A 76 -9.575 36.962 13.130 1.00 1.00 H new ATOM 0 HH11 ARG A 76 -8.922 38.998 15.979 1.00 1.00 H new ATOM 0 HH12 ARG A 76 -9.850 40.360 15.341 1.00 1.00 H new ATOM 0 HH21 ARG A 76 -10.940 38.681 12.466 1.00 1.00 H new ATOM 0 HH22 ARG A 76 -10.970 40.184 13.393 1.00 1.00 H new ATOM 1239 N LEU A 77 -8.006 31.746 17.916 1.00 1.00 N ATOM 1240 CA LEU A 77 -7.303 30.889 18.859 1.00 1.00 C ATOM 1241 C LEU A 77 -7.313 29.407 18.479 1.00 1.00 C ATOM 1242 O LEU A 77 -6.277 28.744 18.490 1.00 1.00 O ATOM 1243 CB LEU A 77 -7.884 31.082 20.283 1.00 1.00 C ATOM 1244 CG LEU A 77 -7.118 30.369 21.420 1.00 1.00 C ATOM 1245 CD1 LEU A 77 -5.662 30.847 21.538 1.00 1.00 C ATOM 1246 CD2 LEU A 77 -7.843 30.566 22.761 1.00 1.00 C ATOM 0 H LEU A 77 -8.823 32.200 18.324 1.00 1.00 H new ATOM 0 HA LEU A 77 -6.258 31.198 18.832 1.00 1.00 H new ATOM 0 HB2 LEU A 77 -7.913 32.149 20.502 1.00 1.00 H new ATOM 0 HB3 LEU A 77 -8.915 30.728 20.286 1.00 1.00 H new ATOM 0 HG LEU A 77 -7.094 29.309 21.169 1.00 1.00 H new ATOM 0 HD11 LEU A 77 -5.169 30.315 22.352 1.00 1.00 H new ATOM 0 HD12 LEU A 77 -5.137 30.648 20.604 1.00 1.00 H new ATOM 0 HD13 LEU A 77 -5.646 31.918 21.743 1.00 1.00 H new ATOM 0 HD21 LEU A 77 -7.291 30.058 23.551 1.00 1.00 H new ATOM 0 HD22 LEU A 77 -7.905 31.630 22.988 1.00 1.00 H new ATOM 0 HD23 LEU A 77 -8.848 30.150 22.696 1.00 1.00 H new ATOM 1258 N ARG A 78 -8.471 28.840 18.064 1.00 1.00 N ATOM 1259 CA ARG A 78 -8.541 27.497 17.504 1.00 1.00 C ATOM 1260 C ARG A 78 -7.705 27.314 16.247 1.00 1.00 C ATOM 1261 O ARG A 78 -6.972 26.337 16.112 1.00 1.00 O ATOM 1262 CB ARG A 78 -10.009 27.152 17.179 1.00 1.00 C ATOM 1263 CG ARG A 78 -10.827 26.869 18.448 1.00 1.00 C ATOM 1264 CD ARG A 78 -12.333 26.961 18.213 1.00 1.00 C ATOM 1265 NE ARG A 78 -12.954 26.453 19.465 1.00 1.00 N ATOM 1266 CZ ARG A 78 -14.236 26.636 19.809 1.00 1.00 C ATOM 1267 NH1 ARG A 78 -15.063 27.364 19.070 1.00 1.00 N ATOM 1268 NH2 ARG A 78 -14.677 26.077 20.930 1.00 1.00 N ATOM 0 H ARG A 78 -9.374 29.312 18.114 1.00 1.00 H new ATOM 0 HA ARG A 78 -8.131 26.828 18.260 1.00 1.00 H new ATOM 0 HB2 ARG A 78 -10.463 27.978 16.631 1.00 1.00 H new ATOM 0 HB3 ARG A 78 -10.041 26.280 16.525 1.00 1.00 H new ATOM 0 HG2 ARG A 78 -10.582 25.874 18.819 1.00 1.00 H new ATOM 0 HG3 ARG A 78 -10.541 27.578 19.225 1.00 1.00 H new ATOM 0 HD2 ARG A 78 -12.638 27.988 18.010 1.00 1.00 H new ATOM 0 HD3 ARG A 78 -12.635 26.363 17.353 1.00 1.00 H new ATOM 0 HE ARG A 78 -12.362 25.928 20.108 1.00 1.00 H new ATOM 0 HH11 ARG A 78 -14.728 27.803 18.213 1.00 1.00 H new ATOM 0 HH12 ARG A 78 -16.034 27.484 19.359 1.00 1.00 H new ATOM 0 HH21 ARG A 78 -14.044 25.523 21.507 1.00 1.00 H new ATOM 0 HH22 ARG A 78 -15.649 26.201 21.214 1.00 1.00 H new ATOM 1282 N LYS A 79 -7.740 28.289 15.319 1.00 1.00 N ATOM 1283 CA LYS A 79 -6.895 28.303 14.138 1.00 1.00 C ATOM 1284 C LYS A 79 -5.403 28.314 14.471 1.00 1.00 C ATOM 1285 O LYS A 79 -4.610 27.591 13.868 1.00 1.00 O ATOM 1286 CB LYS A 79 -7.267 29.521 13.261 1.00 1.00 C ATOM 1287 CG LYS A 79 -6.485 29.616 11.943 1.00 1.00 C ATOM 1288 CD LYS A 79 -7.008 30.738 11.035 1.00 1.00 C ATOM 1289 CE LYS A 79 -6.128 30.948 9.801 1.00 1.00 C ATOM 1290 NZ LYS A 79 -6.693 32.007 8.956 1.00 1.00 N ATOM 0 H LYS A 79 -8.366 29.092 15.381 1.00 1.00 H new ATOM 0 HA LYS A 79 -7.076 27.378 13.591 1.00 1.00 H new ATOM 0 HB2 LYS A 79 -8.332 29.479 13.035 1.00 1.00 H new ATOM 0 HB3 LYS A 79 -7.099 30.432 13.836 1.00 1.00 H new ATOM 0 HG2 LYS A 79 -5.431 29.789 12.160 1.00 1.00 H new ATOM 0 HG3 LYS A 79 -6.550 28.665 11.415 1.00 1.00 H new ATOM 0 HD2 LYS A 79 -8.023 30.501 10.718 1.00 1.00 H new ATOM 0 HD3 LYS A 79 -7.060 31.667 11.603 1.00 1.00 H new ATOM 0 HE2 LYS A 79 -5.117 31.216 10.107 1.00 1.00 H new ATOM 0 HE3 LYS A 79 -6.054 30.020 9.234 1.00 1.00 H new ATOM 0 HZ1 LYS A 79 -6.089 32.143 8.120 1.00 1.00 H new ATOM 0 HZ2 LYS A 79 -7.650 31.735 8.652 1.00 1.00 H new ATOM 0 HZ3 LYS A 79 -6.741 32.894 9.497 1.00 1.00 H new ATOM 1304 N ALA A 80 -4.993 29.105 15.482 1.00 1.00 N ATOM 1305 CA ALA A 80 -3.638 29.151 15.993 1.00 1.00 C ATOM 1306 C ALA A 80 -3.128 27.843 16.602 1.00 1.00 C ATOM 1307 O ALA A 80 -1.967 27.481 16.408 1.00 1.00 O ATOM 1308 CB ALA A 80 -3.519 30.278 17.038 1.00 1.00 C ATOM 0 H ALA A 80 -5.624 29.741 15.969 1.00 1.00 H new ATOM 0 HA ALA A 80 -3.007 29.338 15.124 1.00 1.00 H new ATOM 0 HB1 ALA A 80 -2.499 30.312 17.422 1.00 1.00 H new ATOM 0 HB2 ALA A 80 -3.764 31.233 16.573 1.00 1.00 H new ATOM 0 HB3 ALA A 80 -4.210 30.087 17.859 1.00 1.00 H new ATOM 1314 N LEU A 81 -3.977 27.097 17.350 1.00 1.00 N ATOM 1315 CA LEU A 81 -3.562 25.919 18.082 1.00 1.00 C ATOM 1316 C LEU A 81 -3.864 24.637 17.327 1.00 1.00 C ATOM 1317 O LEU A 81 -3.567 23.542 17.810 1.00 1.00 O ATOM 1318 CB LEU A 81 -4.295 25.864 19.445 1.00 1.00 C ATOM 1319 CG LEU A 81 -3.963 27.017 20.414 1.00 1.00 C ATOM 1320 CD1 LEU A 81 -4.859 26.925 21.658 1.00 1.00 C ATOM 1321 CD2 LEU A 81 -2.483 27.028 20.826 1.00 1.00 C ATOM 0 H LEU A 81 -4.969 27.313 17.450 1.00 1.00 H new ATOM 0 HA LEU A 81 -2.483 25.994 18.220 1.00 1.00 H new ATOM 0 HB2 LEU A 81 -5.370 25.862 19.262 1.00 1.00 H new ATOM 0 HB3 LEU A 81 -4.053 24.920 19.932 1.00 1.00 H new ATOM 0 HG LEU A 81 -4.155 27.952 19.888 1.00 1.00 H new ATOM 0 HD11 LEU A 81 -4.621 27.742 22.339 1.00 1.00 H new ATOM 0 HD12 LEU A 81 -5.905 26.995 21.359 1.00 1.00 H new ATOM 0 HD13 LEU A 81 -4.688 25.972 22.160 1.00 1.00 H new ATOM 0 HD21 LEU A 81 -2.301 27.858 21.508 1.00 1.00 H new ATOM 0 HD22 LEU A 81 -2.237 26.090 21.323 1.00 1.00 H new ATOM 0 HD23 LEU A 81 -1.859 27.144 19.940 1.00 1.00 H new ATOM 1333 N GLU A 82 -4.443 24.735 16.115 1.00 1.00 N ATOM 1334 CA GLU A 82 -4.652 23.616 15.213 1.00 1.00 C ATOM 1335 C GLU A 82 -3.367 22.909 14.750 1.00 1.00 C ATOM 1336 O GLU A 82 -3.345 21.675 14.827 1.00 1.00 O ATOM 1337 CB GLU A 82 -5.537 24.075 14.022 1.00 1.00 C ATOM 1338 CG GLU A 82 -5.808 22.987 12.958 1.00 1.00 C ATOM 1339 CD GLU A 82 -6.686 23.496 11.827 1.00 1.00 C ATOM 1340 OE1 GLU A 82 -6.306 23.833 10.720 1.00 1.00 O ATOM 1341 OE2 GLU A 82 -8.002 23.550 12.188 1.00 1.00 O ATOM 0 H GLU A 82 -4.782 25.621 15.739 1.00 1.00 H new ATOM 0 HA GLU A 82 -5.173 22.845 15.781 1.00 1.00 H new ATOM 0 HB2 GLU A 82 -6.492 24.428 14.412 1.00 1.00 H new ATOM 0 HB3 GLU A 82 -5.057 24.925 13.538 1.00 1.00 H new ATOM 0 HG2 GLU A 82 -4.860 22.636 12.550 1.00 1.00 H new ATOM 0 HG3 GLU A 82 -6.288 22.130 13.431 1.00 1.00 H new ATOM 1349 N PRO A 83 -2.256 23.523 14.317 1.00 1.00 N ATOM 1350 CA PRO A 83 -0.949 22.867 14.302 1.00 1.00 C ATOM 1351 C PRO A 83 -0.533 22.359 15.679 1.00 1.00 C ATOM 1352 O PRO A 83 -0.506 23.130 16.635 1.00 1.00 O ATOM 1353 CB PRO A 83 0.014 23.928 13.739 1.00 1.00 C ATOM 1354 CG PRO A 83 -0.894 24.910 12.991 1.00 1.00 C ATOM 1355 CD PRO A 83 -2.165 24.903 13.838 1.00 1.00 C ATOM 0 HA PRO A 83 -0.954 21.966 13.689 1.00 1.00 H new ATOM 0 HB2 PRO A 83 0.566 24.426 14.536 1.00 1.00 H new ATOM 0 HB3 PRO A 83 0.751 23.481 13.072 1.00 1.00 H new ATOM 0 HG2 PRO A 83 -0.453 25.905 12.931 1.00 1.00 H new ATOM 0 HG3 PRO A 83 -1.087 24.585 11.969 1.00 1.00 H new ATOM 0 HD2 PRO A 83 -2.099 25.610 14.665 1.00 1.00 H new ATOM 0 HD3 PRO A 83 -3.040 25.181 13.250 1.00 1.00 H new ATOM 1363 N GLY A 84 -0.225 21.059 15.811 1.00 1.00 N ATOM 1364 CA GLY A 84 0.041 20.365 17.069 1.00 1.00 C ATOM 1365 C GLY A 84 -1.185 19.912 17.830 1.00 1.00 C ATOM 1366 O GLY A 84 -1.067 19.283 18.882 1.00 1.00 O ATOM 0 H GLY A 84 -0.153 20.440 15.003 1.00 1.00 H new ATOM 0 HA2 GLY A 84 0.661 19.493 16.860 1.00 1.00 H new ATOM 0 HA3 GLY A 84 0.624 21.024 17.712 1.00 1.00 H new ATOM 1370 N GLY A 85 -2.403 20.177 17.313 1.00 1.00 N ATOM 1371 CA GLY A 85 -3.637 19.571 17.813 1.00 1.00 C ATOM 1372 C GLY A 85 -4.116 19.987 19.183 1.00 1.00 C ATOM 1373 O GLY A 85 -4.590 19.151 19.945 1.00 1.00 O ATOM 0 H GLY A 85 -2.550 20.820 16.535 1.00 1.00 H new ATOM 0 HA2 GLY A 85 -4.431 19.789 17.099 1.00 1.00 H new ATOM 0 HA3 GLY A 85 -3.502 18.489 17.819 1.00 1.00 H new ATOM 1377 N HIS A 86 -4.008 21.276 19.559 1.00 1.00 N ATOM 1378 CA HIS A 86 -4.475 21.759 20.861 1.00 1.00 C ATOM 1379 C HIS A 86 -5.705 22.640 20.760 1.00 1.00 C ATOM 1380 O HIS A 86 -6.211 23.127 21.768 1.00 1.00 O ATOM 1381 CB HIS A 86 -3.382 22.474 21.692 1.00 1.00 C ATOM 1382 CG HIS A 86 -2.295 21.520 22.100 1.00 1.00 C ATOM 1383 ND1 HIS A 86 -1.188 21.315 21.330 1.00 1.00 N ATOM 1384 CD2 HIS A 86 -2.266 20.591 23.082 1.00 1.00 C ATOM 1385 CE1 HIS A 86 -0.505 20.287 21.810 1.00 1.00 C ATOM 1386 NE2 HIS A 86 -1.148 19.828 22.872 1.00 1.00 N ATOM 0 H HIS A 86 -3.598 22.001 18.971 1.00 1.00 H new ATOM 0 HA HIS A 86 -4.748 20.849 21.395 1.00 1.00 H new ATOM 0 HB2 HIS A 86 -2.953 23.289 21.109 1.00 1.00 H new ATOM 0 HB3 HIS A 86 -3.830 22.919 22.580 1.00 1.00 H new ATOM 0 HD2 HIS A 86 -2.986 20.473 23.879 1.00 1.00 H new ATOM 0 HE1 HIS A 86 0.415 19.892 21.406 1.00 1.00 H new ATOM 0 HE2 HIS A 86 -0.858 19.034 23.442 1.00 1.00 H new ATOM 1395 N ASP A 87 -6.283 22.812 19.554 1.00 1.00 N ATOM 1396 CA ASP A 87 -7.595 23.395 19.339 1.00 1.00 C ATOM 1397 C ASP A 87 -8.725 22.708 20.126 1.00 1.00 C ATOM 1398 O ASP A 87 -9.661 23.358 20.591 1.00 1.00 O ATOM 1399 CB ASP A 87 -7.889 23.462 17.810 1.00 1.00 C ATOM 1400 CG ASP A 87 -7.886 22.115 17.113 1.00 1.00 C ATOM 1401 OD1 ASP A 87 -6.845 21.411 17.117 1.00 1.00 O ATOM 1402 OD2 ASP A 87 -8.937 21.746 16.525 1.00 1.00 O ATOM 0 H ASP A 87 -5.824 22.536 18.686 1.00 1.00 H new ATOM 0 HA ASP A 87 -7.571 24.407 19.743 1.00 1.00 H new ATOM 0 HB2 ASP A 87 -8.860 23.934 17.659 1.00 1.00 H new ATOM 0 HB3 ASP A 87 -7.146 24.104 17.337 1.00 1.00 H new ATOM 1407 N ARG A 88 -8.628 21.379 20.340 1.00 1.00 N ATOM 1408 CA ARG A 88 -9.567 20.568 21.101 1.00 1.00 C ATOM 1409 C ARG A 88 -9.792 20.963 22.563 1.00 1.00 C ATOM 1410 O ARG A 88 -10.858 20.693 23.119 1.00 1.00 O ATOM 1411 CB ARG A 88 -9.153 19.077 21.034 1.00 1.00 C ATOM 1412 CG ARG A 88 -7.781 18.740 21.658 1.00 1.00 C ATOM 1413 CD ARG A 88 -7.360 17.270 21.508 1.00 1.00 C ATOM 1414 NE ARG A 88 -6.929 17.049 20.091 1.00 1.00 N ATOM 1415 CZ ARG A 88 -6.124 16.045 19.715 1.00 1.00 C ATOM 1416 NH1 ARG A 88 -5.876 15.012 20.512 1.00 1.00 N ATOM 1417 NH2 ARG A 88 -5.552 16.091 18.514 1.00 1.00 N ATOM 0 H ARG A 88 -7.855 20.830 19.965 1.00 1.00 H new ATOM 0 HA ARG A 88 -10.525 20.753 20.614 1.00 1.00 H new ATOM 0 HB2 ARG A 88 -9.917 18.483 21.536 1.00 1.00 H new ATOM 0 HB3 ARG A 88 -9.143 18.767 19.989 1.00 1.00 H new ATOM 0 HG2 ARG A 88 -7.021 19.372 21.198 1.00 1.00 H new ATOM 0 HG3 ARG A 88 -7.806 18.992 22.718 1.00 1.00 H new ATOM 0 HD2 ARG A 88 -6.546 17.036 22.194 1.00 1.00 H new ATOM 0 HD3 ARG A 88 -8.189 16.609 21.760 1.00 1.00 H new ATOM 0 HE ARG A 88 -7.265 17.695 19.376 1.00 1.00 H new ATOM 0 HH11 ARG A 88 -6.302 14.968 21.438 1.00 1.00 H new ATOM 0 HH12 ARG A 88 -5.259 14.263 20.199 1.00 1.00 H new ATOM 0 HH21 ARG A 88 -5.729 16.882 17.895 1.00 1.00 H new ATOM 0 HH22 ARG A 88 -4.937 15.335 18.213 1.00 1.00 H new ATOM 1431 N MET A 89 -8.794 21.596 23.226 1.00 1.00 N ATOM 1432 CA MET A 89 -8.885 22.101 24.586 1.00 1.00 C ATOM 1433 C MET A 89 -9.858 23.262 24.749 1.00 1.00 C ATOM 1434 O MET A 89 -10.513 23.401 25.780 1.00 1.00 O ATOM 1435 CB MET A 89 -7.509 22.601 25.082 1.00 1.00 C ATOM 1436 CG MET A 89 -6.345 21.621 24.843 1.00 1.00 C ATOM 1437 SD MET A 89 -4.713 22.299 25.274 1.00 1.00 S ATOM 1438 CE MET A 89 -4.962 22.243 27.064 1.00 1.00 C ATOM 0 H MET A 89 -7.882 21.766 22.802 1.00 1.00 H new ATOM 0 HA MET A 89 -9.246 21.254 25.169 1.00 1.00 H new ATOM 0 HB2 MET A 89 -7.280 23.544 24.586 1.00 1.00 H new ATOM 0 HB3 MET A 89 -7.577 22.810 26.150 1.00 1.00 H new ATOM 0 HG2 MET A 89 -6.518 20.717 25.427 1.00 1.00 H new ATOM 0 HG3 MET A 89 -6.340 21.327 23.794 1.00 1.00 H new ATOM 0 HE1 MET A 89 -4.072 22.620 27.567 1.00 1.00 H new ATOM 0 HE2 MET A 89 -5.819 22.861 27.332 1.00 1.00 H new ATOM 0 HE3 MET A 89 -5.146 21.214 27.374 1.00 1.00 H new ATOM 1448 N VAL A 90 -9.930 24.136 23.724 1.00 1.00 N ATOM 1449 CA VAL A 90 -10.738 25.350 23.681 1.00 1.00 C ATOM 1450 C VAL A 90 -12.197 25.024 23.386 1.00 1.00 C ATOM 1451 O VAL A 90 -12.586 24.793 22.241 1.00 1.00 O ATOM 1452 CB VAL A 90 -10.206 26.316 22.616 1.00 1.00 C ATOM 1453 CG1 VAL A 90 -11.034 27.619 22.558 1.00 1.00 C ATOM 1454 CG2 VAL A 90 -8.732 26.656 22.922 1.00 1.00 C ATOM 0 H VAL A 90 -9.396 23.998 22.866 1.00 1.00 H new ATOM 0 HA VAL A 90 -10.673 25.824 24.660 1.00 1.00 H new ATOM 0 HB VAL A 90 -10.288 25.825 21.647 1.00 1.00 H new ATOM 0 HG11 VAL A 90 -10.625 28.276 21.791 1.00 1.00 H new ATOM 0 HG12 VAL A 90 -12.070 27.381 22.317 1.00 1.00 H new ATOM 0 HG13 VAL A 90 -10.992 28.120 23.525 1.00 1.00 H new ATOM 0 HG21 VAL A 90 -8.352 27.343 22.165 1.00 1.00 H new ATOM 0 HG22 VAL A 90 -8.663 27.124 23.904 1.00 1.00 H new ATOM 0 HG23 VAL A 90 -8.138 25.742 22.913 1.00 1.00 H new ATOM 1464 N GLN A 91 -13.061 24.992 24.417 1.00 1.00 N ATOM 1465 CA GLN A 91 -14.395 24.422 24.322 1.00 1.00 C ATOM 1466 C GLN A 91 -15.477 25.425 24.662 1.00 1.00 C ATOM 1467 O GLN A 91 -15.272 26.396 25.389 1.00 1.00 O ATOM 1468 CB GLN A 91 -14.516 23.179 25.234 1.00 1.00 C ATOM 1469 CG GLN A 91 -13.617 22.036 24.717 1.00 1.00 C ATOM 1470 CD GLN A 91 -13.576 20.840 25.660 1.00 1.00 C ATOM 1471 OE1 GLN A 91 -14.331 20.709 26.626 1.00 1.00 O ATOM 1472 NE2 GLN A 91 -12.634 19.920 25.358 1.00 1.00 N ATOM 0 H GLN A 91 -12.841 25.366 25.340 1.00 1.00 H new ATOM 0 HA GLN A 91 -14.542 24.126 23.283 1.00 1.00 H new ATOM 0 HB2 GLN A 91 -14.231 23.440 26.253 1.00 1.00 H new ATOM 0 HB3 GLN A 91 -15.553 22.846 25.268 1.00 1.00 H new ATOM 0 HG2 GLN A 91 -13.977 21.710 23.741 1.00 1.00 H new ATOM 0 HG3 GLN A 91 -12.605 22.414 24.573 1.00 1.00 H new ATOM 0 HE21 GLN A 91 -12.025 20.059 24.551 1.00 1.00 H new ATOM 0 HE22 GLN A 91 -12.531 19.086 25.937 1.00 1.00 H new ATOM 1481 N THR A 92 -16.675 25.213 24.093 1.00 1.00 N ATOM 1482 CA THR A 92 -17.763 26.178 24.096 1.00 1.00 C ATOM 1483 C THR A 92 -18.931 25.681 24.905 1.00 1.00 C ATOM 1484 O THR A 92 -19.360 24.530 24.788 1.00 1.00 O ATOM 1485 CB THR A 92 -18.274 26.478 22.695 1.00 1.00 C ATOM 1486 OG1 THR A 92 -17.190 26.935 21.897 1.00 1.00 O ATOM 1487 CG2 THR A 92 -19.331 27.593 22.710 1.00 1.00 C ATOM 0 H THR A 92 -16.909 24.345 23.611 1.00 1.00 H new ATOM 0 HA THR A 92 -17.349 27.085 24.535 1.00 1.00 H new ATOM 0 HB THR A 92 -18.715 25.564 22.298 1.00 1.00 H new ATOM 0 HG1 THR A 92 -16.882 27.804 22.230 1.00 1.00 H new ATOM 0 HG21 THR A 92 -19.675 27.782 21.693 1.00 1.00 H new ATOM 0 HG22 THR A 92 -20.175 27.286 23.327 1.00 1.00 H new ATOM 0 HG23 THR A 92 -18.894 28.503 23.120 1.00 1.00 H new ATOM 1495 N VAL A 93 -19.488 26.570 25.746 1.00 1.00 N ATOM 1496 CA VAL A 93 -20.647 26.312 26.571 1.00 1.00 C ATOM 1497 C VAL A 93 -21.777 27.204 26.085 1.00 1.00 C ATOM 1498 O VAL A 93 -21.786 28.420 26.287 1.00 1.00 O ATOM 1499 CB VAL A 93 -20.340 26.601 28.032 1.00 1.00 C ATOM 1500 CG1 VAL A 93 -21.569 26.314 28.912 1.00 1.00 C ATOM 1501 CG2 VAL A 93 -19.164 25.710 28.471 1.00 1.00 C ATOM 0 H VAL A 93 -19.120 27.514 25.863 1.00 1.00 H new ATOM 0 HA VAL A 93 -20.932 25.263 26.494 1.00 1.00 H new ATOM 0 HB VAL A 93 -20.079 27.653 28.146 1.00 1.00 H new ATOM 0 HG11 VAL A 93 -21.328 26.527 29.954 1.00 1.00 H new ATOM 0 HG12 VAL A 93 -22.399 26.945 28.595 1.00 1.00 H new ATOM 0 HG13 VAL A 93 -21.851 25.266 28.812 1.00 1.00 H new ATOM 0 HG21 VAL A 93 -18.931 25.905 29.518 1.00 1.00 H new ATOM 0 HG22 VAL A 93 -19.437 24.662 28.349 1.00 1.00 H new ATOM 0 HG23 VAL A 93 -18.291 25.932 27.857 1.00 1.00 H new ATOM 1511 N ARG A 94 -22.773 26.602 25.408 1.00 1.00 N ATOM 1512 CA ARG A 94 -23.899 27.278 24.790 1.00 1.00 C ATOM 1513 C ARG A 94 -24.754 28.057 25.782 1.00 1.00 C ATOM 1514 O ARG A 94 -25.162 27.548 26.825 1.00 1.00 O ATOM 1515 CB ARG A 94 -24.748 26.228 24.028 1.00 1.00 C ATOM 1516 CG ARG A 94 -26.030 26.742 23.347 1.00 1.00 C ATOM 1517 CD ARG A 94 -26.739 25.651 22.530 1.00 1.00 C ATOM 1518 NE ARG A 94 -28.117 26.133 22.219 1.00 1.00 N ATOM 1519 CZ ARG A 94 -28.434 26.998 21.255 1.00 1.00 C ATOM 1520 NH1 ARG A 94 -27.579 27.428 20.341 1.00 1.00 N ATOM 1521 NH2 ARG A 94 -29.660 27.520 21.253 1.00 1.00 N ATOM 0 H ARG A 94 -22.804 25.591 25.279 1.00 1.00 H new ATOM 0 HA ARG A 94 -23.506 28.024 24.099 1.00 1.00 H new ATOM 0 HB2 ARG A 94 -24.118 25.768 23.266 1.00 1.00 H new ATOM 0 HB3 ARG A 94 -25.026 25.441 24.729 1.00 1.00 H new ATOM 0 HG2 ARG A 94 -26.713 27.125 24.106 1.00 1.00 H new ATOM 0 HG3 ARG A 94 -25.780 27.577 22.693 1.00 1.00 H new ATOM 0 HD2 ARG A 94 -26.190 25.445 21.611 1.00 1.00 H new ATOM 0 HD3 ARG A 94 -26.779 24.718 23.093 1.00 1.00 H new ATOM 0 HE ARG A 94 -28.879 25.771 22.791 1.00 1.00 H new ATOM 0 HH11 ARG A 94 -26.614 27.096 20.349 1.00 1.00 H new ATOM 0 HH12 ARG A 94 -27.885 28.091 19.629 1.00 1.00 H new ATOM 0 HH21 ARG A 94 -30.328 27.255 21.977 1.00 1.00 H new ATOM 0 HH22 ARG A 94 -29.930 28.184 20.528 1.00 1.00 H new ATOM 1535 N GLY A 95 -25.026 29.343 25.482 1.00 1.00 N ATOM 1536 CA GLY A 95 -25.800 30.238 26.336 1.00 1.00 C ATOM 1537 C GLY A 95 -25.010 30.846 27.464 1.00 1.00 C ATOM 1538 O GLY A 95 -25.557 31.583 28.281 1.00 1.00 O ATOM 0 H GLY A 95 -24.704 29.787 24.622 1.00 1.00 H new ATOM 0 HA2 GLY A 95 -26.214 31.039 25.724 1.00 1.00 H new ATOM 0 HA3 GLY A 95 -26.643 29.687 26.753 1.00 1.00 H new ATOM 1542 N THR A 96 -23.693 30.567 27.548 1.00 1.00 N ATOM 1543 CA THR A 96 -22.858 31.052 28.644 1.00 1.00 C ATOM 1544 C THR A 96 -21.569 31.631 28.106 1.00 1.00 C ATOM 1545 O THR A 96 -21.302 32.823 28.262 1.00 1.00 O ATOM 1546 CB THR A 96 -22.496 29.968 29.659 1.00 1.00 C ATOM 1547 OG1 THR A 96 -23.667 29.396 30.227 1.00 1.00 O ATOM 1548 CG2 THR A 96 -21.696 30.553 30.836 1.00 1.00 C ATOM 0 H THR A 96 -23.191 30.004 26.861 1.00 1.00 H new ATOM 0 HA THR A 96 -23.454 31.810 29.153 1.00 1.00 H new ATOM 0 HB THR A 96 -21.911 29.225 29.117 1.00 1.00 H new ATOM 0 HG1 THR A 96 -23.413 28.704 30.872 1.00 1.00 H new ATOM 0 HG21 THR A 96 -21.453 29.758 31.541 1.00 1.00 H new ATOM 0 HG22 THR A 96 -20.775 31.001 30.463 1.00 1.00 H new ATOM 0 HG23 THR A 96 -22.292 31.314 31.339 1.00 1.00 H new ATOM 1556 N GLY A 97 -20.710 30.818 27.461 1.00 1.00 N ATOM 1557 CA GLY A 97 -19.373 31.273 27.113 1.00 1.00 C ATOM 1558 C GLY A 97 -18.452 30.128 26.811 1.00 1.00 C ATOM 1559 O GLY A 97 -18.772 29.259 26.006 1.00 1.00 O ATOM 0 H GLY A 97 -20.923 29.861 27.179 1.00 1.00 H new ATOM 0 HA2 GLY A 97 -19.428 31.932 26.247 1.00 1.00 H new ATOM 0 HA3 GLY A 97 -18.964 31.860 27.935 1.00 1.00 H new ATOM 1563 N TYR A 98 -17.254 30.104 27.425 1.00 1.00 N ATOM 1564 CA TYR A 98 -16.190 29.210 26.991 1.00 1.00 C ATOM 1565 C TYR A 98 -15.414 28.625 28.170 1.00 1.00 C ATOM 1566 O TYR A 98 -15.454 29.133 29.290 1.00 1.00 O ATOM 1567 CB TYR A 98 -15.195 29.929 26.032 1.00 1.00 C ATOM 1568 CG TYR A 98 -15.891 30.500 24.818 1.00 1.00 C ATOM 1569 CD1 TYR A 98 -16.206 29.684 23.718 1.00 1.00 C ATOM 1570 CD2 TYR A 98 -16.255 31.860 24.773 1.00 1.00 C ATOM 1571 CE1 TYR A 98 -16.858 30.223 22.597 1.00 1.00 C ATOM 1572 CE2 TYR A 98 -16.895 32.394 23.644 1.00 1.00 C ATOM 1573 CZ TYR A 98 -17.194 31.570 22.554 1.00 1.00 C ATOM 1574 OH TYR A 98 -17.885 32.066 21.428 1.00 1.00 O ATOM 0 H TYR A 98 -17.009 30.695 28.219 1.00 1.00 H new ATOM 0 HA TYR A 98 -16.679 28.395 26.457 1.00 1.00 H new ATOM 0 HB2 TYR A 98 -14.688 30.730 26.570 1.00 1.00 H new ATOM 0 HB3 TYR A 98 -14.427 29.225 25.712 1.00 1.00 H new ATOM 0 HD1 TYR A 98 -15.945 28.636 23.735 1.00 1.00 H new ATOM 0 HD2 TYR A 98 -16.039 32.499 25.617 1.00 1.00 H new ATOM 0 HE1 TYR A 98 -17.100 29.584 21.761 1.00 1.00 H new ATOM 0 HE2 TYR A 98 -17.157 33.441 23.617 1.00 1.00 H new ATOM 0 HH TYR A 98 -18.248 31.317 20.911 1.00 1.00 H new ATOM 1584 N ARG A 99 -14.695 27.510 27.922 1.00 1.00 N ATOM 1585 CA ARG A 99 -13.997 26.706 28.912 1.00 1.00 C ATOM 1586 C ARG A 99 -12.705 26.185 28.288 1.00 1.00 C ATOM 1587 O ARG A 99 -12.602 26.054 27.070 1.00 1.00 O ATOM 1588 CB ARG A 99 -14.912 25.515 29.324 1.00 1.00 C ATOM 1589 CG ARG A 99 -14.359 24.509 30.363 1.00 1.00 C ATOM 1590 CD ARG A 99 -15.416 23.472 30.777 1.00 1.00 C ATOM 1591 NE ARG A 99 -14.812 22.516 31.766 1.00 1.00 N ATOM 1592 CZ ARG A 99 -15.514 21.887 32.723 1.00 1.00 C ATOM 1593 NH1 ARG A 99 -16.817 22.048 32.887 1.00 1.00 N ATOM 1594 NH2 ARG A 99 -14.853 21.045 33.514 1.00 1.00 N ATOM 0 H ARG A 99 -14.589 27.140 26.977 1.00 1.00 H new ATOM 0 HA ARG A 99 -13.760 27.298 29.796 1.00 1.00 H new ATOM 0 HB2 ARG A 99 -15.842 25.927 29.717 1.00 1.00 H new ATOM 0 HB3 ARG A 99 -15.166 24.959 28.421 1.00 1.00 H new ATOM 0 HG2 ARG A 99 -13.492 23.997 29.946 1.00 1.00 H new ATOM 0 HG3 ARG A 99 -14.016 25.050 31.245 1.00 1.00 H new ATOM 0 HD2 ARG A 99 -16.279 23.971 31.217 1.00 1.00 H new ATOM 0 HD3 ARG A 99 -15.773 22.930 29.901 1.00 1.00 H new ATOM 0 HE ARG A 99 -13.810 22.334 31.707 1.00 1.00 H new ATOM 0 HH11 ARG A 99 -17.335 22.674 32.270 1.00 1.00 H new ATOM 0 HH12 ARG A 99 -17.303 21.546 33.630 1.00 1.00 H new ATOM 0 HH21 ARG A 99 -13.852 20.899 33.380 1.00 1.00 H new ATOM 0 HH22 ARG A 99 -15.347 20.546 34.254 1.00 1.00 H new ATOM 1608 N PHE A 100 -11.662 25.907 29.094 1.00 1.00 N ATOM 1609 CA PHE A 100 -10.408 25.327 28.641 1.00 1.00 C ATOM 1610 C PHE A 100 -10.185 24.030 29.398 1.00 1.00 C ATOM 1611 O PHE A 100 -10.356 23.993 30.612 1.00 1.00 O ATOM 1612 CB PHE A 100 -9.262 26.325 28.929 1.00 1.00 C ATOM 1613 CG PHE A 100 -7.975 25.994 28.228 1.00 1.00 C ATOM 1614 CD1 PHE A 100 -7.883 26.097 26.829 1.00 1.00 C ATOM 1615 CD2 PHE A 100 -6.819 25.698 28.967 1.00 1.00 C ATOM 1616 CE1 PHE A 100 -6.653 25.927 26.181 1.00 1.00 C ATOM 1617 CE2 PHE A 100 -5.589 25.520 28.320 1.00 1.00 C ATOM 1618 CZ PHE A 100 -5.505 25.642 26.928 1.00 1.00 C ATOM 0 H PHE A 100 -11.680 26.088 30.098 1.00 1.00 H new ATOM 0 HA PHE A 100 -10.435 25.123 27.571 1.00 1.00 H new ATOM 0 HB2 PHE A 100 -9.580 27.324 28.631 1.00 1.00 H new ATOM 0 HB3 PHE A 100 -9.082 26.355 30.004 1.00 1.00 H new ATOM 0 HD1 PHE A 100 -8.769 26.309 26.249 1.00 1.00 H new ATOM 0 HD2 PHE A 100 -6.878 25.607 30.042 1.00 1.00 H new ATOM 0 HE1 PHE A 100 -6.591 26.016 25.106 1.00 1.00 H new ATOM 0 HE2 PHE A 100 -4.705 25.288 28.896 1.00 1.00 H new ATOM 0 HZ PHE A 100 -4.554 25.516 26.431 1.00 1.00 H new ATOM 1628 N SER A 101 -9.839 22.914 28.724 1.00 1.00 N ATOM 1629 CA SER A 101 -9.799 21.611 29.393 1.00 1.00 C ATOM 1630 C SER A 101 -8.474 20.878 29.259 1.00 1.00 C ATOM 1631 O SER A 101 -7.815 20.874 28.220 1.00 1.00 O ATOM 1632 CB SER A 101 -10.978 20.692 28.969 1.00 1.00 C ATOM 1633 OG SER A 101 -10.901 19.388 29.555 1.00 1.00 O ATOM 0 H SER A 101 -9.589 22.894 27.735 1.00 1.00 H new ATOM 0 HA SER A 101 -9.910 21.850 30.451 1.00 1.00 H new ATOM 0 HB2 SER A 101 -11.920 21.160 29.257 1.00 1.00 H new ATOM 0 HB3 SER A 101 -10.987 20.598 27.883 1.00 1.00 H new ATOM 0 HG SER A 101 -11.002 19.460 30.527 1.00 1.00 H new ATOM 1639 N THR A 102 -8.077 20.202 30.360 1.00 1.00 N ATOM 1640 CA THR A 102 -6.845 19.438 30.520 1.00 1.00 C ATOM 1641 C THR A 102 -7.078 17.941 30.382 1.00 1.00 C ATOM 1642 O THR A 102 -6.221 17.130 30.736 1.00 1.00 O ATOM 1643 CB THR A 102 -6.180 19.692 31.871 1.00 1.00 C ATOM 1644 OG1 THR A 102 -7.129 19.625 32.930 1.00 1.00 O ATOM 1645 CG2 THR A 102 -5.584 21.107 31.868 1.00 1.00 C ATOM 0 H THR A 102 -8.650 20.181 31.204 1.00 1.00 H new ATOM 0 HA THR A 102 -6.188 19.781 29.721 1.00 1.00 H new ATOM 0 HB THR A 102 -5.414 18.932 32.024 1.00 1.00 H new ATOM 0 HG1 THR A 102 -6.678 19.789 33.784 1.00 1.00 H new ATOM 0 HG21 THR A 102 -5.105 21.302 32.828 1.00 1.00 H new ATOM 0 HG22 THR A 102 -4.845 21.189 31.071 1.00 1.00 H new ATOM 0 HG23 THR A 102 -6.378 21.836 31.703 1.00 1.00 H new