USER MOD reduce.3.24.130724 H: found=0, std=0, add=1015, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 1017 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 90 THR OG1 : rot -159:sc= -2.5 USER MOD Set 1.2: A 93 ASN : amide:sc= -1.54 K(o=-4,f=-7.4) USER MOD Set 2.1: A 43 TYR OH : rot 130:sc= -0.268 USER MOD Set 2.2: A 68 HIS : no HE2:sc= -0.773 X(o=-1,f=-0.78) USER MOD Set 3.1: A 14 GLN :FLIP amide:sc= -0.755 F(o=-4,f=-1.2) USER MOD Set 3.2: A 147 ASN : amide:sc= -0.442 K(o=-1.2,f=-3.3) USER MOD Single : A 15 THR OG1 : rot 67:sc= 0.728 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 MET CE :methyl -110:sc= -3.2! (180deg=-8.43!) USER MOD Single : A 39 LYS NZ :NH3+ -160:sc=-0.00203 (180deg=-0.616) USER MOD Single : A 48 GLN : amide:sc= -0.0807 K(o=-0.081,f=-0.64) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 MET CE :methyl -168:sc= -9.34! (180deg=-9.93!) USER MOD Single : A 66 THR OG1 : rot -12:sc= 0.424! USER MOD Single : A 72 HIS : no HD1:sc= -0.44 X(o=-0.44,f=-0.39) USER MOD Single : A 73 SER OG : rot 180:sc= -3.13! USER MOD Single : A 85 TYR OH : rot -29:sc= 0.299 USER MOD Single : A 88 MET CE :methyl -152:sc= -5.16! (180deg=-7.22!) USER MOD Single : A 98 CYS SG : rot 180:sc= -1.01 USER MOD Single : A 99 GLN :FLIP amide:sc= -0.47 F(o=-0.99,f=-0.47) USER MOD Single : A 103 ASN : amide:sc= -2.43 X(o=-2.4,f=-2.5) USER MOD Single : A 104 GLN : amide:sc= -0.324 X(o=-0.32,f=0) USER MOD Single : A 106 TYR OH : rot -97:sc= 0.176 USER MOD Single : A 108 SER OG : rot -150:sc= -0.344 USER MOD Single : A 109 TYR OH : rot 131:sc= 0.484 USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 ASN : amide:sc= -2.38 K(o=-2.4,f=-3.8!) USER MOD Single : A 115 SER OG : rot 180:sc= 0.044 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 120 SER OG : rot 180:sc= 0.0949 USER MOD Single : A 121 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0205) USER MOD Single : A 127 ASN : amide:sc= -3.33! C(o=-3.3!,f=-8.1!) USER MOD Single : A 133 ASN : amide:sc= -4.06! C(o=-4.1!,f=-4.1!) USER MOD Single : A 136 THR OG1 : rot 150:sc= -0.491 USER MOD Single : A 137 GLN : amide:sc= 0 X(o=0,f=-0.01) USER MOD Single : A 140 LYS NZ :NH3+ 136:sc= -0.527 (180deg=-2.08!) USER MOD Single : A 144 GLN :FLIP amide:sc= -1.83! C(o=-2.4!,f=-1.8!) USER MOD Single : A 145 TYR OH : rot 38:sc= -3.19 USER MOD ----------------------------------------------------------------- ATOM 22 N ILE A 10 -10.583 -3.412 -17.990 1.00 0.00 N ATOM 23 CA ILE A 10 -9.328 -2.887 -17.479 1.00 0.00 C ATOM 24 C ILE A 10 -9.518 -2.281 -16.092 1.00 0.00 C ATOM 25 O ILE A 10 -8.924 -2.740 -15.118 1.00 0.00 O ATOM 26 CB ILE A 10 -8.748 -1.816 -18.420 1.00 0.00 C ATOM 27 CG1 ILE A 10 -8.660 -2.348 -19.854 1.00 0.00 C ATOM 28 CG2 ILE A 10 -7.382 -1.369 -17.930 1.00 0.00 C ATOM 29 CD1 ILE A 10 -8.028 -3.719 -19.959 1.00 0.00 C ATOM 0 HA ILE A 10 -8.630 -3.722 -17.418 1.00 0.00 H new ATOM 0 HB ILE A 10 -9.416 -0.954 -18.418 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -9.663 -2.387 -20.279 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -8.085 -1.646 -20.457 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -6.983 -0.611 -18.605 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -7.474 -0.950 -16.928 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -6.707 -2.224 -17.905 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -8.001 -4.028 -21.004 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -7.012 -3.683 -19.565 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -8.615 -4.435 -19.384 1.00 0.00 H new ATOM 41 N ARG A 11 -10.357 -1.251 -16.010 1.00 0.00 N ATOM 42 CA ARG A 11 -10.633 -0.587 -14.739 1.00 0.00 C ATOM 43 C ARG A 11 -10.971 -1.610 -13.661 1.00 0.00 C ATOM 44 O ARG A 11 -10.722 -1.392 -12.473 1.00 0.00 O ATOM 45 CB ARG A 11 -11.790 0.402 -14.899 1.00 0.00 C ATOM 46 CG ARG A 11 -12.137 1.145 -13.620 1.00 0.00 C ATOM 47 CD ARG A 11 -11.148 2.266 -13.345 1.00 0.00 C ATOM 48 NE ARG A 11 -11.552 3.519 -13.977 1.00 0.00 N ATOM 49 CZ ARG A 11 -12.477 4.337 -13.477 1.00 0.00 C ATOM 50 NH1 ARG A 11 -13.095 4.036 -12.341 1.00 0.00 N ATOM 51 NH2 ARG A 11 -12.784 5.458 -14.114 1.00 0.00 N ATOM 0 H ARG A 11 -10.857 -0.859 -16.808 1.00 0.00 H new ATOM 0 HA ARG A 11 -9.739 -0.043 -14.436 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -11.533 1.127 -15.672 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -12.672 -0.136 -15.247 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -13.143 1.556 -13.698 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -12.142 0.448 -12.782 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -11.059 2.415 -12.269 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -10.162 1.977 -13.710 1.00 0.00 H new ATOM 0 HE ARG A 11 -11.100 3.783 -14.852 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -12.862 3.175 -11.847 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -13.802 4.666 -11.963 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -12.312 5.694 -14.987 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -13.492 6.084 -13.731 1.00 0.00 H new ATOM 65 N GLU A 12 -11.534 -2.733 -14.087 1.00 0.00 N ATOM 66 CA GLU A 12 -11.902 -3.797 -13.166 1.00 0.00 C ATOM 67 C GLU A 12 -10.663 -4.370 -12.491 1.00 0.00 C ATOM 68 O GLU A 12 -10.630 -4.528 -11.271 1.00 0.00 O ATOM 69 CB GLU A 12 -12.660 -4.903 -13.900 1.00 0.00 C ATOM 70 CG GLU A 12 -14.132 -4.592 -14.118 1.00 0.00 C ATOM 71 CD GLU A 12 -14.885 -5.744 -14.752 1.00 0.00 C ATOM 72 OE1 GLU A 12 -14.246 -6.558 -15.451 1.00 0.00 O ATOM 73 OE2 GLU A 12 -16.114 -5.834 -14.550 1.00 0.00 O ATOM 0 H GLU A 12 -11.745 -2.930 -15.065 1.00 0.00 H new ATOM 0 HA GLU A 12 -12.554 -3.376 -12.400 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -12.187 -5.076 -14.867 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -12.573 -5.829 -13.332 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -14.593 -4.345 -13.161 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -14.223 -3.711 -14.753 1.00 0.00 H new ATOM 80 N ARG A 13 -9.642 -4.677 -13.288 1.00 0.00 N ATOM 81 CA ARG A 13 -8.403 -5.227 -12.751 1.00 0.00 C ATOM 82 C ARG A 13 -7.777 -4.266 -11.745 1.00 0.00 C ATOM 83 O ARG A 13 -7.165 -4.688 -10.762 1.00 0.00 O ATOM 84 CB ARG A 13 -7.414 -5.552 -13.875 1.00 0.00 C ATOM 85 CG ARG A 13 -6.573 -4.370 -14.331 1.00 0.00 C ATOM 86 CD ARG A 13 -5.234 -4.343 -13.615 1.00 0.00 C ATOM 87 NE ARG A 13 -4.446 -5.543 -13.887 1.00 0.00 N ATOM 88 CZ ARG A 13 -3.623 -6.111 -13.005 1.00 0.00 C ATOM 89 NH1 ARG A 13 -3.462 -5.585 -11.796 1.00 0.00 N ATOM 90 NH2 ARG A 13 -2.955 -7.207 -13.336 1.00 0.00 N ATOM 0 H ARG A 13 -9.649 -4.555 -14.301 1.00 0.00 H new ATOM 0 HA ARG A 13 -8.644 -6.156 -12.234 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -6.749 -6.348 -13.539 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -7.968 -5.940 -14.730 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -6.412 -4.428 -15.407 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -7.111 -3.441 -14.139 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -4.673 -3.462 -13.927 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -5.398 -4.252 -12.541 1.00 0.00 H new ATOM 0 HE ARG A 13 -4.531 -5.973 -14.808 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -3.970 -4.740 -11.536 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -2.830 -6.026 -11.128 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -3.071 -7.614 -14.264 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -2.325 -7.643 -12.663 1.00 0.00 H new ATOM 104 N GLN A 14 -7.945 -2.969 -11.992 1.00 0.00 N ATOM 105 CA GLN A 14 -7.408 -1.949 -11.101 1.00 0.00 C ATOM 106 C GLN A 14 -7.900 -2.182 -9.678 1.00 0.00 C ATOM 107 O GLN A 14 -7.124 -2.157 -8.722 1.00 0.00 O ATOM 108 CB GLN A 14 -7.823 -0.555 -11.573 1.00 0.00 C ATOM 109 CG GLN A 14 -7.209 -0.154 -12.903 1.00 0.00 C ATOM 110 CD GLN A 14 -7.054 1.347 -13.043 1.00 0.00 C ATOM 111 OE1 GLN A 14 -6.423 1.971 -12.054 1.00 0.00 O flip ATOM 112 NE2 GLN A 14 -7.496 1.939 -14.026 1.00 0.00 N flip ATOM 0 H GLN A 14 -8.448 -2.602 -12.800 1.00 0.00 H new ATOM 0 HA GLN A 14 -6.320 -2.015 -11.117 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -8.909 -0.518 -11.658 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -7.538 0.175 -10.816 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -6.233 -0.628 -13.006 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -7.832 -0.529 -13.715 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -7.974 1.419 -14.762 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -7.385 2.950 -14.105 1.00 0.00 H new ATOM 121 N THR A 15 -9.203 -2.416 -9.554 1.00 0.00 N ATOM 122 CA THR A 15 -9.815 -2.661 -8.255 1.00 0.00 C ATOM 123 C THR A 15 -9.391 -4.015 -7.688 1.00 0.00 C ATOM 124 O THR A 15 -9.468 -4.236 -6.480 1.00 0.00 O ATOM 125 CB THR A 15 -11.340 -2.588 -8.361 1.00 0.00 C ATOM 126 OG1 THR A 15 -11.742 -2.371 -9.703 1.00 0.00 O ATOM 127 CG2 THR A 15 -11.943 -1.487 -7.517 1.00 0.00 C ATOM 0 H THR A 15 -9.855 -2.441 -10.338 1.00 0.00 H new ATOM 0 HA THR A 15 -9.469 -1.885 -7.572 1.00 0.00 H new ATOM 0 HB THR A 15 -11.702 -3.548 -7.993 1.00 0.00 H new ATOM 0 HG1 THR A 15 -11.522 -3.159 -10.242 1.00 0.00 H new ATOM 0 HG21 THR A 15 -13.026 -1.489 -7.637 1.00 0.00 H new ATOM 0 HG22 THR A 15 -11.693 -1.654 -6.469 1.00 0.00 H new ATOM 0 HG23 THR A 15 -11.544 -0.524 -7.836 1.00 0.00 H new ATOM 135 N VAL A 16 -8.947 -4.922 -8.557 1.00 0.00 N ATOM 136 CA VAL A 16 -8.519 -6.244 -8.114 1.00 0.00 C ATOM 137 C VAL A 16 -7.364 -6.137 -7.127 1.00 0.00 C ATOM 138 O VAL A 16 -7.501 -6.507 -5.961 1.00 0.00 O ATOM 139 CB VAL A 16 -8.096 -7.141 -9.294 1.00 0.00 C ATOM 140 CG1 VAL A 16 -7.649 -8.509 -8.799 1.00 0.00 C ATOM 141 CG2 VAL A 16 -9.235 -7.278 -10.286 1.00 0.00 C ATOM 0 H VAL A 16 -8.875 -4.766 -9.562 1.00 0.00 H new ATOM 0 HA VAL A 16 -9.378 -6.703 -7.625 1.00 0.00 H new ATOM 0 HB VAL A 16 -7.252 -6.671 -9.798 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -7.355 -9.125 -9.649 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -6.801 -8.393 -8.125 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -8.471 -8.990 -8.269 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -8.922 -7.914 -11.114 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -10.097 -7.725 -9.791 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -9.506 -6.293 -10.667 1.00 0.00 H new ATOM 151 N ALA A 17 -6.227 -5.620 -7.590 1.00 0.00 N ATOM 152 CA ALA A 17 -5.069 -5.467 -6.719 1.00 0.00 C ATOM 153 C ALA A 17 -5.434 -4.622 -5.504 1.00 0.00 C ATOM 154 O ALA A 17 -4.953 -4.861 -4.398 1.00 0.00 O ATOM 155 CB ALA A 17 -3.901 -4.845 -7.472 1.00 0.00 C ATOM 0 H ALA A 17 -6.086 -5.305 -8.550 1.00 0.00 H new ATOM 0 HA ALA A 17 -4.761 -6.456 -6.379 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -3.049 -4.741 -6.800 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -3.626 -5.485 -8.310 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -4.190 -3.863 -7.845 1.00 0.00 H new ATOM 161 N LEU A 18 -6.301 -3.638 -5.725 1.00 0.00 N ATOM 162 CA LEU A 18 -6.749 -2.755 -4.656 1.00 0.00 C ATOM 163 C LEU A 18 -7.565 -3.519 -3.619 1.00 0.00 C ATOM 164 O LEU A 18 -7.147 -3.669 -2.471 1.00 0.00 O ATOM 165 CB LEU A 18 -7.592 -1.621 -5.235 1.00 0.00 C ATOM 166 CG LEU A 18 -6.798 -0.503 -5.908 1.00 0.00 C ATOM 167 CD1 LEU A 18 -7.718 0.381 -6.738 1.00 0.00 C ATOM 168 CD2 LEU A 18 -6.051 0.316 -4.865 1.00 0.00 C ATOM 0 H LEU A 18 -6.707 -3.433 -6.638 1.00 0.00 H new ATOM 0 HA LEU A 18 -5.867 -2.343 -4.166 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -8.287 -2.040 -5.962 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -8.191 -1.189 -4.434 1.00 0.00 H new ATOM 0 HG LEU A 18 -6.065 -0.951 -6.580 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -7.135 1.172 -7.210 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -8.203 -0.220 -7.507 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -8.476 0.825 -6.092 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -5.490 1.109 -5.359 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -6.765 0.756 -4.169 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -5.363 -0.330 -4.320 1.00 0.00 H new ATOM 180 N LYS A 19 -8.735 -3.998 -4.033 1.00 0.00 N ATOM 181 CA LYS A 19 -9.621 -4.745 -3.147 1.00 0.00 C ATOM 182 C LYS A 19 -8.855 -5.809 -2.367 1.00 0.00 C ATOM 183 O LYS A 19 -9.189 -6.114 -1.224 1.00 0.00 O ATOM 184 CB LYS A 19 -10.747 -5.396 -3.950 1.00 0.00 C ATOM 185 CG LYS A 19 -11.913 -4.460 -4.230 1.00 0.00 C ATOM 186 CD LYS A 19 -13.056 -5.183 -4.925 1.00 0.00 C ATOM 187 CE LYS A 19 -13.103 -4.856 -6.409 1.00 0.00 C ATOM 188 NZ LYS A 19 -14.364 -5.327 -7.042 1.00 0.00 N ATOM 0 H LYS A 19 -9.092 -3.881 -4.981 1.00 0.00 H new ATOM 0 HA LYS A 19 -10.050 -4.042 -2.433 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -10.345 -5.757 -4.897 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -11.113 -6.267 -3.407 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -12.269 -4.031 -3.293 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -11.574 -3.631 -4.852 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -12.942 -6.259 -4.792 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -14.001 -4.903 -4.460 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -13.008 -3.779 -6.546 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -12.252 -5.317 -6.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -14.356 -5.085 -8.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -14.443 -6.358 -6.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -15.176 -4.868 -6.582 1.00 0.00 H new ATOM 202 N ARG A 20 -7.824 -6.367 -2.988 1.00 0.00 N ATOM 203 CA ARG A 20 -7.014 -7.391 -2.342 1.00 0.00 C ATOM 204 C ARG A 20 -6.399 -6.858 -1.051 1.00 0.00 C ATOM 205 O ARG A 20 -6.527 -7.469 0.009 1.00 0.00 O ATOM 206 CB ARG A 20 -5.910 -7.869 -3.287 1.00 0.00 C ATOM 207 CG ARG A 20 -6.259 -9.146 -4.035 1.00 0.00 C ATOM 208 CD ARG A 20 -5.011 -9.914 -4.441 1.00 0.00 C ATOM 209 NE ARG A 20 -5.138 -11.345 -4.174 1.00 0.00 N ATOM 210 CZ ARG A 20 -4.140 -12.215 -4.308 1.00 0.00 C ATOM 211 NH1 ARG A 20 -2.941 -11.806 -4.704 1.00 0.00 N ATOM 212 NH2 ARG A 20 -4.341 -13.499 -4.044 1.00 0.00 N ATOM 0 H ARG A 20 -7.530 -6.129 -3.935 1.00 0.00 H new ATOM 0 HA ARG A 20 -7.661 -8.233 -2.097 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -5.696 -7.082 -4.010 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -4.998 -8.032 -2.713 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -6.887 -9.777 -3.406 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -6.841 -8.901 -4.923 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -4.819 -9.759 -5.503 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -4.151 -9.519 -3.901 1.00 0.00 H new ATOM 0 HE ARG A 20 -6.045 -11.698 -3.867 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -2.780 -10.820 -4.908 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -2.180 -12.478 -4.805 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -5.260 -13.819 -3.739 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -3.577 -14.166 -4.146 1.00 0.00 H new ATOM 226 N MET A 21 -5.736 -5.714 -1.151 1.00 0.00 N ATOM 227 CA MET A 21 -5.102 -5.095 0.011 1.00 0.00 C ATOM 228 C MET A 21 -6.099 -4.261 0.811 1.00 0.00 C ATOM 229 O MET A 21 -5.785 -3.787 1.903 1.00 0.00 O ATOM 230 CB MET A 21 -3.926 -4.213 -0.419 1.00 0.00 C ATOM 231 CG MET A 21 -4.145 -3.499 -1.743 1.00 0.00 C ATOM 232 SD MET A 21 -2.939 -2.197 -2.044 1.00 0.00 S ATOM 233 CE MET A 21 -3.925 -0.745 -1.694 1.00 0.00 C ATOM 0 H MET A 21 -5.622 -5.195 -2.021 1.00 0.00 H new ATOM 0 HA MET A 21 -4.734 -5.900 0.647 1.00 0.00 H new ATOM 0 HB2 MET A 21 -3.739 -3.470 0.357 1.00 0.00 H new ATOM 0 HB3 MET A 21 -3.030 -4.829 -0.493 1.00 0.00 H new ATOM 0 HG2 MET A 21 -4.098 -4.226 -2.554 1.00 0.00 H new ATOM 0 HG3 MET A 21 -5.147 -3.070 -1.757 1.00 0.00 H new ATOM 0 HE1 MET A 21 -4.122 -0.207 -2.621 1.00 0.00 H new ATOM 0 HE2 MET A 21 -4.870 -1.047 -1.242 1.00 0.00 H new ATOM 0 HE3 MET A 21 -3.385 -0.096 -1.005 1.00 0.00 H new ATOM 487 N TRP A 38 -7.576 -4.819 11.335 1.00 0.00 N ATOM 488 CA TRP A 38 -7.337 -3.489 10.786 1.00 0.00 C ATOM 489 C TRP A 38 -6.195 -3.516 9.776 1.00 0.00 C ATOM 490 O TRP A 38 -5.244 -4.283 9.919 1.00 0.00 O ATOM 491 CB TRP A 38 -7.016 -2.501 11.908 1.00 0.00 C ATOM 492 CG TRP A 38 -8.232 -1.995 12.622 1.00 0.00 C ATOM 493 CD1 TRP A 38 -8.575 -2.232 13.921 1.00 0.00 C ATOM 494 CD2 TRP A 38 -9.265 -1.167 12.076 1.00 0.00 C ATOM 495 NE1 TRP A 38 -9.761 -1.603 14.217 1.00 0.00 N ATOM 496 CE2 TRP A 38 -10.204 -0.943 13.101 1.00 0.00 C ATOM 497 CE3 TRP A 38 -9.489 -0.593 10.821 1.00 0.00 C ATOM 498 CZ2 TRP A 38 -11.347 -0.169 12.909 1.00 0.00 C ATOM 499 CZ3 TRP A 38 -10.624 0.174 10.632 1.00 0.00 C ATOM 500 CH2 TRP A 38 -11.540 0.379 11.671 1.00 0.00 C ATOM 0 HA TRP A 38 -8.244 -3.166 10.275 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -6.355 -2.983 12.628 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -6.470 -1.655 11.491 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -7.999 -2.827 14.615 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -10.234 -1.624 15.120 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -8.788 -0.746 10.014 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -12.055 -0.008 13.709 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -10.807 0.622 9.667 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -12.417 0.983 11.491 1.00 0.00 H new ATOM 511 N LYS A 39 -6.297 -2.673 8.753 1.00 0.00 N ATOM 512 CA LYS A 39 -5.272 -2.600 7.719 1.00 0.00 C ATOM 513 C LYS A 39 -5.007 -1.154 7.317 1.00 0.00 C ATOM 514 O LYS A 39 -5.932 -0.406 7.009 1.00 0.00 O ATOM 515 CB LYS A 39 -5.697 -3.411 6.494 1.00 0.00 C ATOM 516 CG LYS A 39 -4.531 -4.024 5.737 1.00 0.00 C ATOM 517 CD LYS A 39 -4.904 -5.368 5.135 1.00 0.00 C ATOM 518 CE LYS A 39 -3.758 -6.359 5.237 1.00 0.00 C ATOM 519 NZ LYS A 39 -3.697 -7.004 6.578 1.00 0.00 N ATOM 0 H LYS A 39 -7.079 -2.032 8.618 1.00 0.00 H new ATOM 0 HA LYS A 39 -4.352 -3.020 8.124 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -6.372 -4.206 6.811 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -6.259 -2.766 5.819 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -4.212 -3.345 4.946 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -3.683 -4.148 6.411 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -5.779 -5.768 5.648 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -5.180 -5.236 4.089 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -3.872 -7.126 4.471 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -2.817 -5.847 5.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -2.746 -7.397 6.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -3.902 -6.297 7.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -4.400 -7.769 6.628 1.00 0.00 H new ATOM 533 N VAL A 40 -3.739 -0.764 7.321 1.00 0.00 N ATOM 534 CA VAL A 40 -3.357 0.589 6.956 1.00 0.00 C ATOM 535 C VAL A 40 -3.080 0.682 5.457 1.00 0.00 C ATOM 536 O VAL A 40 -2.828 -0.328 4.801 1.00 0.00 O ATOM 537 CB VAL A 40 -2.116 1.038 7.769 1.00 0.00 C ATOM 538 CG1 VAL A 40 -1.094 1.747 6.894 1.00 0.00 C ATOM 539 CG2 VAL A 40 -2.537 1.922 8.931 1.00 0.00 C ATOM 0 H VAL A 40 -2.958 -1.369 7.574 1.00 0.00 H new ATOM 0 HA VAL A 40 -4.185 1.258 7.193 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.637 0.142 8.165 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.240 2.046 7.501 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.760 1.073 6.105 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.548 2.631 6.447 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.655 2.229 9.493 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -3.050 2.805 8.549 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -3.209 1.367 9.586 1.00 0.00 H new ATOM 549 N LEU A 41 -3.130 1.897 4.917 1.00 0.00 N ATOM 550 CA LEU A 41 -2.885 2.104 3.498 1.00 0.00 C ATOM 551 C LEU A 41 -2.098 3.397 3.259 1.00 0.00 C ATOM 552 O LEU A 41 -2.327 4.410 3.918 1.00 0.00 O ATOM 553 CB LEU A 41 -4.219 2.119 2.731 1.00 0.00 C ATOM 554 CG LEU A 41 -4.514 3.384 1.917 1.00 0.00 C ATOM 555 CD1 LEU A 41 -3.942 3.259 0.513 1.00 0.00 C ATOM 556 CD2 LEU A 41 -6.010 3.643 1.866 1.00 0.00 C ATOM 0 H LEU A 41 -3.337 2.748 5.440 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.279 1.278 3.125 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -4.236 1.264 2.055 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -5.028 1.975 3.447 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.035 4.232 2.407 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.161 4.166 -0.051 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.863 3.119 0.571 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -4.392 2.402 0.012 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -6.204 4.544 1.285 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.510 2.795 1.398 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.391 3.776 2.879 1.00 0.00 H new ATOM 568 N ILE A 42 -1.180 3.347 2.300 1.00 0.00 N ATOM 569 CA ILE A 42 -0.358 4.498 1.941 1.00 0.00 C ATOM 570 C ILE A 42 -0.369 4.687 0.435 1.00 0.00 C ATOM 571 O ILE A 42 0.249 3.915 -0.299 1.00 0.00 O ATOM 572 CB ILE A 42 1.105 4.330 2.405 1.00 0.00 C ATOM 573 CG1 ILE A 42 1.183 3.694 3.794 1.00 0.00 C ATOM 574 CG2 ILE A 42 1.818 5.669 2.404 1.00 0.00 C ATOM 575 CD1 ILE A 42 0.263 4.313 4.815 1.00 0.00 C ATOM 0 H ILE A 42 -0.985 2.510 1.751 1.00 0.00 H new ATOM 0 HA ILE A 42 -0.782 5.368 2.442 1.00 0.00 H new ATOM 0 HB ILE A 42 1.600 3.662 1.701 1.00 0.00 H new ATOM 0 HG12 ILE A 42 0.949 2.633 3.708 1.00 0.00 H new ATOM 0 HG13 ILE A 42 2.209 3.766 4.156 1.00 0.00 H new ATOM 0 HG21 ILE A 42 2.848 5.533 2.734 1.00 0.00 H new ATOM 0 HG22 ILE A 42 1.811 6.084 1.396 1.00 0.00 H new ATOM 0 HG23 ILE A 42 1.308 6.353 3.082 1.00 0.00 H new ATOM 0 HD11 ILE A 42 0.383 3.802 5.770 1.00 0.00 H new ATOM 0 HD12 ILE A 42 0.509 5.368 4.935 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -0.770 4.217 4.480 1.00 0.00 H new ATOM 587 N TYR A 43 -1.084 5.702 -0.028 1.00 0.00 N ATOM 588 CA TYR A 43 -1.174 5.960 -1.459 1.00 0.00 C ATOM 589 C TYR A 43 -0.423 7.225 -1.855 1.00 0.00 C ATOM 590 O TYR A 43 -0.144 8.093 -1.024 1.00 0.00 O ATOM 591 CB TYR A 43 -2.636 6.052 -1.907 1.00 0.00 C ATOM 592 CG TYR A 43 -3.546 6.737 -0.915 1.00 0.00 C ATOM 593 CD1 TYR A 43 -3.168 7.923 -0.305 1.00 0.00 C ATOM 594 CD2 TYR A 43 -4.783 6.197 -0.594 1.00 0.00 C ATOM 595 CE1 TYR A 43 -3.998 8.557 0.598 1.00 0.00 C ATOM 596 CE2 TYR A 43 -5.621 6.823 0.309 1.00 0.00 C ATOM 597 CZ TYR A 43 -5.224 8.003 0.902 1.00 0.00 C ATOM 598 OH TYR A 43 -6.054 8.631 1.802 1.00 0.00 O ATOM 0 H TYR A 43 -1.605 6.354 0.558 1.00 0.00 H new ATOM 0 HA TYR A 43 -0.702 5.118 -1.966 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -2.681 6.589 -2.855 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -3.011 5.046 -2.093 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -2.208 8.358 -0.540 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -5.096 5.273 -1.057 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -3.689 9.481 1.064 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -6.581 6.391 0.549 1.00 0.00 H new ATOM 0 HH TYR A 43 -6.951 8.717 1.416 1.00 0.00 H new ATOM 608 N ASP A 44 -0.085 7.301 -3.138 1.00 0.00 N ATOM 609 CA ASP A 44 0.640 8.435 -3.689 1.00 0.00 C ATOM 610 C ASP A 44 -0.193 9.116 -4.770 1.00 0.00 C ATOM 611 O ASP A 44 -1.382 8.831 -4.915 1.00 0.00 O ATOM 612 CB ASP A 44 1.979 7.978 -4.268 1.00 0.00 C ATOM 613 CG ASP A 44 3.075 9.010 -4.082 1.00 0.00 C ATOM 614 OD1 ASP A 44 2.899 9.917 -3.242 1.00 0.00 O ATOM 615 OD2 ASP A 44 4.106 8.911 -4.778 1.00 0.00 O ATOM 0 H ASP A 44 -0.307 6.578 -3.822 1.00 0.00 H new ATOM 0 HA ASP A 44 0.831 9.149 -2.888 1.00 0.00 H new ATOM 0 HB2 ASP A 44 2.278 7.045 -3.790 1.00 0.00 H new ATOM 0 HB3 ASP A 44 1.859 7.768 -5.331 1.00 0.00 H new ATOM 620 N ARG A 45 0.435 10.018 -5.521 1.00 0.00 N ATOM 621 CA ARG A 45 -0.247 10.748 -6.593 1.00 0.00 C ATOM 622 C ARG A 45 -1.215 9.841 -7.354 1.00 0.00 C ATOM 623 O ARG A 45 -2.407 10.131 -7.446 1.00 0.00 O ATOM 624 CB ARG A 45 0.780 11.341 -7.561 1.00 0.00 C ATOM 625 CG ARG A 45 1.621 12.454 -6.953 1.00 0.00 C ATOM 626 CD ARG A 45 2.848 11.909 -6.238 1.00 0.00 C ATOM 627 NE ARG A 45 4.071 12.592 -6.650 1.00 0.00 N ATOM 628 CZ ARG A 45 4.747 12.302 -7.760 1.00 0.00 C ATOM 629 NH1 ARG A 45 4.317 11.348 -8.577 1.00 0.00 N ATOM 630 NH2 ARG A 45 5.854 12.970 -8.055 1.00 0.00 N ATOM 0 H ARG A 45 1.419 10.263 -5.408 1.00 0.00 H new ATOM 0 HA ARG A 45 -0.823 11.553 -6.137 1.00 0.00 H new ATOM 0 HB2 ARG A 45 1.441 10.546 -7.908 1.00 0.00 H new ATOM 0 HB3 ARG A 45 0.260 11.728 -8.437 1.00 0.00 H new ATOM 0 HG2 ARG A 45 1.934 13.143 -7.737 1.00 0.00 H new ATOM 0 HG3 ARG A 45 1.015 13.025 -6.250 1.00 0.00 H new ATOM 0 HD2 ARG A 45 2.718 12.017 -5.161 1.00 0.00 H new ATOM 0 HD3 ARG A 45 2.942 10.842 -6.442 1.00 0.00 H new ATOM 0 HE ARG A 45 4.429 13.336 -6.051 1.00 0.00 H new ATOM 0 HH11 ARG A 45 3.465 10.833 -8.356 1.00 0.00 H new ATOM 0 HH12 ARG A 45 4.839 11.130 -9.426 1.00 0.00 H new ATOM 0 HH21 ARG A 45 6.187 13.705 -7.432 1.00 0.00 H new ATOM 0 HH22 ARG A 45 6.372 12.748 -8.905 1.00 0.00 H new ATOM 644 N PHE A 46 -0.699 8.738 -7.886 1.00 0.00 N ATOM 645 CA PHE A 46 -1.531 7.793 -8.621 1.00 0.00 C ATOM 646 C PHE A 46 -2.375 6.968 -7.655 1.00 0.00 C ATOM 647 O PHE A 46 -3.539 6.675 -7.928 1.00 0.00 O ATOM 648 CB PHE A 46 -0.668 6.872 -9.486 1.00 0.00 C ATOM 649 CG PHE A 46 -0.587 7.307 -10.922 1.00 0.00 C ATOM 650 CD1 PHE A 46 0.029 8.500 -11.261 1.00 0.00 C ATOM 651 CD2 PHE A 46 -1.125 6.523 -11.933 1.00 0.00 C ATOM 652 CE1 PHE A 46 0.107 8.907 -12.580 1.00 0.00 C ATOM 653 CE2 PHE A 46 -1.049 6.925 -13.253 1.00 0.00 C ATOM 654 CZ PHE A 46 -0.432 8.117 -13.576 1.00 0.00 C ATOM 0 H PHE A 46 0.285 8.478 -7.823 1.00 0.00 H new ATOM 0 HA PHE A 46 -2.195 8.358 -9.275 1.00 0.00 H new ATOM 0 HB2 PHE A 46 0.338 6.831 -9.069 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -1.072 5.861 -9.442 1.00 0.00 H new ATOM 0 HD1 PHE A 46 0.454 9.120 -10.485 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -1.608 5.589 -11.686 1.00 0.00 H new ATOM 0 HE1 PHE A 46 0.588 9.841 -12.831 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -1.472 6.307 -14.031 1.00 0.00 H new ATOM 0 HZ PHE A 46 -0.371 8.432 -14.607 1.00 0.00 H new ATOM 664 N GLY A 47 -1.780 6.606 -6.519 1.00 0.00 N ATOM 665 CA GLY A 47 -2.492 5.825 -5.517 1.00 0.00 C ATOM 666 C GLY A 47 -3.884 6.365 -5.246 1.00 0.00 C ATOM 667 O GLY A 47 -4.856 5.611 -5.219 1.00 0.00 O ATOM 0 H GLY A 47 -0.818 6.839 -6.274 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.565 4.790 -5.851 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -1.920 5.821 -4.589 1.00 0.00 H new ATOM 671 N GLN A 48 -3.977 7.677 -5.065 1.00 0.00 N ATOM 672 CA GLN A 48 -5.259 8.326 -4.816 1.00 0.00 C ATOM 673 C GLN A 48 -6.026 8.485 -6.124 1.00 0.00 C ATOM 674 O GLN A 48 -7.255 8.531 -6.139 1.00 0.00 O ATOM 675 CB GLN A 48 -5.052 9.691 -4.155 1.00 0.00 C ATOM 676 CG GLN A 48 -3.985 10.539 -4.827 1.00 0.00 C ATOM 677 CD GLN A 48 -4.211 12.025 -4.626 1.00 0.00 C ATOM 678 OE1 GLN A 48 -5.336 12.513 -4.729 1.00 0.00 O ATOM 679 NE2 GLN A 48 -3.138 12.752 -4.340 1.00 0.00 N ATOM 0 H GLN A 48 -3.180 8.313 -5.086 1.00 0.00 H new ATOM 0 HA GLN A 48 -5.840 7.700 -4.138 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -5.996 10.236 -4.164 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -4.780 9.541 -3.110 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -3.007 10.267 -4.431 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -3.969 10.318 -5.894 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -2.224 12.305 -4.264 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -3.227 13.758 -4.196 1.00 0.00 H new ATOM 688 N ASP A 49 -5.280 8.558 -7.224 1.00 0.00 N ATOM 689 CA ASP A 49 -5.867 8.699 -8.550 1.00 0.00 C ATOM 690 C ASP A 49 -6.613 7.432 -8.964 1.00 0.00 C ATOM 691 O ASP A 49 -7.322 7.422 -9.969 1.00 0.00 O ATOM 692 CB ASP A 49 -4.770 9.003 -9.575 1.00 0.00 C ATOM 693 CG ASP A 49 -5.314 9.665 -10.826 1.00 0.00 C ATOM 694 OD1 ASP A 49 -6.508 9.466 -11.132 1.00 0.00 O ATOM 695 OD2 ASP A 49 -4.545 10.383 -11.499 1.00 0.00 O ATOM 0 H ASP A 49 -4.261 8.521 -7.220 1.00 0.00 H new ATOM 0 HA ASP A 49 -6.580 9.522 -8.516 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -4.022 9.652 -9.120 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -4.265 8.076 -9.848 1.00 0.00 H new ATOM 700 N ILE A 50 -6.428 6.358 -8.200 1.00 0.00 N ATOM 701 CA ILE A 50 -7.062 5.084 -8.507 1.00 0.00 C ATOM 702 C ILE A 50 -7.953 4.602 -7.366 1.00 0.00 C ATOM 703 O ILE A 50 -9.041 4.074 -7.598 1.00 0.00 O ATOM 704 CB ILE A 50 -5.993 4.018 -8.794 1.00 0.00 C ATOM 705 CG1 ILE A 50 -5.083 4.482 -9.931 1.00 0.00 C ATOM 706 CG2 ILE A 50 -6.630 2.675 -9.119 1.00 0.00 C ATOM 707 CD1 ILE A 50 -3.613 4.311 -9.636 1.00 0.00 C ATOM 0 H ILE A 50 -5.844 6.347 -7.364 1.00 0.00 H new ATOM 0 HA ILE A 50 -7.686 5.237 -9.387 1.00 0.00 H new ATOM 0 HB ILE A 50 -5.389 3.885 -7.897 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -5.331 3.925 -10.834 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -5.283 5.533 -10.140 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -5.849 1.941 -9.318 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -7.233 2.344 -8.273 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -7.265 2.777 -9.999 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -3.028 4.661 -10.487 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -3.350 4.891 -8.751 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -3.398 3.258 -9.457 1.00 0.00 H new ATOM 719 N ILE A 51 -7.483 4.767 -6.137 1.00 0.00 N ATOM 720 CA ILE A 51 -8.243 4.328 -4.974 1.00 0.00 C ATOM 721 C ILE A 51 -9.572 5.076 -4.870 1.00 0.00 C ATOM 722 O ILE A 51 -10.614 4.474 -4.631 1.00 0.00 O ATOM 723 CB ILE A 51 -7.422 4.486 -3.664 1.00 0.00 C ATOM 724 CG1 ILE A 51 -7.561 3.232 -2.794 1.00 0.00 C ATOM 725 CG2 ILE A 51 -7.842 5.727 -2.878 1.00 0.00 C ATOM 726 CD1 ILE A 51 -6.242 2.713 -2.261 1.00 0.00 C ATOM 0 H ILE A 51 -6.585 5.199 -5.920 1.00 0.00 H new ATOM 0 HA ILE A 51 -8.457 3.268 -5.108 1.00 0.00 H new ATOM 0 HB ILE A 51 -6.376 4.612 -3.944 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -8.220 3.454 -1.955 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -8.041 2.447 -3.378 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -7.245 5.802 -1.969 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -7.685 6.615 -3.490 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -8.897 5.651 -2.614 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -6.419 1.825 -1.655 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -5.587 2.459 -3.095 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -5.769 3.481 -1.650 1.00 0.00 H new ATOM 738 N SER A 52 -9.527 6.391 -5.051 1.00 0.00 N ATOM 739 CA SER A 52 -10.729 7.217 -4.971 1.00 0.00 C ATOM 740 C SER A 52 -11.771 6.814 -6.020 1.00 0.00 C ATOM 741 O SER A 52 -12.902 6.472 -5.676 1.00 0.00 O ATOM 742 CB SER A 52 -10.368 8.694 -5.136 1.00 0.00 C ATOM 743 OG SER A 52 -11.061 9.497 -4.197 1.00 0.00 O ATOM 0 H SER A 52 -8.672 6.909 -5.254 1.00 0.00 H new ATOM 0 HA SER A 52 -11.169 7.058 -3.987 1.00 0.00 H new ATOM 0 HB2 SER A 52 -9.293 8.825 -5.008 1.00 0.00 H new ATOM 0 HB3 SER A 52 -10.611 9.020 -6.147 1.00 0.00 H new ATOM 0 HG SER A 52 -10.811 10.436 -4.322 1.00 0.00 H new ATOM 749 N PRO A 53 -11.418 6.861 -7.318 1.00 0.00 N ATOM 750 CA PRO A 53 -12.344 6.515 -8.399 1.00 0.00 C ATOM 751 C PRO A 53 -13.085 5.200 -8.156 1.00 0.00 C ATOM 752 O PRO A 53 -14.164 4.980 -8.705 1.00 0.00 O ATOM 753 CB PRO A 53 -11.449 6.404 -9.645 1.00 0.00 C ATOM 754 CG PRO A 53 -10.041 6.572 -9.167 1.00 0.00 C ATOM 755 CD PRO A 53 -10.110 7.274 -7.840 1.00 0.00 C ATOM 0 HA PRO A 53 -13.130 7.265 -8.493 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -11.581 5.439 -10.134 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -11.705 7.170 -10.377 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -9.549 5.604 -9.067 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -9.458 7.153 -9.881 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -9.297 6.971 -7.180 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -10.043 8.356 -7.952 1.00 0.00 H new ATOM 763 N LEU A 54 -12.507 4.328 -7.335 1.00 0.00 N ATOM 764 CA LEU A 54 -13.130 3.041 -7.034 1.00 0.00 C ATOM 765 C LEU A 54 -13.312 2.847 -5.528 1.00 0.00 C ATOM 766 O LEU A 54 -13.626 1.747 -5.072 1.00 0.00 O ATOM 767 CB LEU A 54 -12.285 1.899 -7.600 1.00 0.00 C ATOM 768 CG LEU A 54 -11.921 2.034 -9.081 1.00 0.00 C ATOM 769 CD1 LEU A 54 -10.447 1.727 -9.299 1.00 0.00 C ATOM 770 CD2 LEU A 54 -12.789 1.116 -9.929 1.00 0.00 C ATOM 0 H LEU A 54 -11.614 4.486 -6.868 1.00 0.00 H new ATOM 0 HA LEU A 54 -14.114 3.033 -7.502 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -11.365 1.827 -7.021 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -12.825 0.963 -7.458 1.00 0.00 H new ATOM 0 HG LEU A 54 -12.106 3.063 -9.388 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -10.207 1.828 -10.357 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -9.841 2.425 -8.721 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -10.236 0.708 -8.975 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -12.517 1.225 -10.979 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -12.635 0.082 -9.620 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -13.838 1.382 -9.797 1.00 0.00 H new ATOM 782 N LEU A 55 -13.097 3.910 -4.760 1.00 0.00 N ATOM 783 CA LEU A 55 -13.222 3.839 -3.311 1.00 0.00 C ATOM 784 C LEU A 55 -13.433 5.224 -2.702 1.00 0.00 C ATOM 785 O LEU A 55 -13.085 6.238 -3.304 1.00 0.00 O ATOM 786 CB LEU A 55 -11.965 3.202 -2.735 1.00 0.00 C ATOM 787 CG LEU A 55 -12.207 2.171 -1.647 1.00 0.00 C ATOM 788 CD1 LEU A 55 -11.018 1.238 -1.544 1.00 0.00 C ATOM 789 CD2 LEU A 55 -12.473 2.868 -0.328 1.00 0.00 C ATOM 0 H LEU A 55 -12.836 4.829 -5.117 1.00 0.00 H new ATOM 0 HA LEU A 55 -14.094 3.233 -3.065 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -11.412 2.729 -3.546 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -11.329 3.990 -2.332 1.00 0.00 H new ATOM 0 HG LEU A 55 -13.084 1.575 -1.900 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -11.200 0.502 -0.761 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -10.873 0.727 -2.496 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -10.124 1.813 -1.301 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -12.646 2.123 0.449 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -11.611 3.479 -0.059 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -13.353 3.504 -0.423 1.00 0.00 H new ATOM 801 N SER A 56 -14.001 5.259 -1.501 1.00 0.00 N ATOM 802 CA SER A 56 -14.249 6.522 -0.811 1.00 0.00 C ATOM 803 C SER A 56 -13.629 6.511 0.584 1.00 0.00 C ATOM 804 O SER A 56 -13.106 5.492 1.034 1.00 0.00 O ATOM 805 CB SER A 56 -15.753 6.796 -0.721 1.00 0.00 C ATOM 806 OG SER A 56 -16.091 8.005 -1.376 1.00 0.00 O ATOM 0 H SER A 56 -14.298 4.430 -0.986 1.00 0.00 H new ATOM 0 HA SER A 56 -13.781 7.320 -1.387 1.00 0.00 H new ATOM 0 HB2 SER A 56 -16.304 5.969 -1.170 1.00 0.00 H new ATOM 0 HB3 SER A 56 -16.054 6.849 0.325 1.00 0.00 H new ATOM 0 HG SER A 56 -17.057 8.156 -1.306 1.00 0.00 H new ATOM 812 N VAL A 57 -13.690 7.654 1.260 1.00 0.00 N ATOM 813 CA VAL A 57 -13.131 7.787 2.603 1.00 0.00 C ATOM 814 C VAL A 57 -13.917 6.965 3.613 1.00 0.00 C ATOM 815 O VAL A 57 -13.343 6.240 4.425 1.00 0.00 O ATOM 816 CB VAL A 57 -13.126 9.256 3.070 1.00 0.00 C ATOM 817 CG1 VAL A 57 -12.122 9.456 4.194 1.00 0.00 C ATOM 818 CG2 VAL A 57 -12.835 10.193 1.910 1.00 0.00 C ATOM 0 H VAL A 57 -14.122 8.505 0.899 1.00 0.00 H new ATOM 0 HA VAL A 57 -12.106 7.419 2.549 1.00 0.00 H new ATOM 0 HB VAL A 57 -14.118 9.495 3.452 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -12.133 10.499 4.510 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -12.388 8.818 5.037 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -11.124 9.194 3.842 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -12.837 11.223 2.265 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -11.858 9.957 1.488 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -13.601 10.072 1.144 1.00 0.00 H new ATOM 828 N LYS A 58 -15.235 7.095 3.568 1.00 0.00 N ATOM 829 CA LYS A 58 -16.102 6.373 4.492 1.00 0.00 C ATOM 830 C LYS A 58 -16.020 4.867 4.265 1.00 0.00 C ATOM 831 O LYS A 58 -16.093 4.088 5.216 1.00 0.00 O ATOM 832 CB LYS A 58 -17.548 6.855 4.359 1.00 0.00 C ATOM 833 CG LYS A 58 -18.159 6.586 2.993 1.00 0.00 C ATOM 834 CD LYS A 58 -19.228 5.506 3.059 1.00 0.00 C ATOM 835 CE LYS A 58 -20.350 5.885 4.016 1.00 0.00 C ATOM 836 NZ LYS A 58 -20.689 4.768 4.942 1.00 0.00 N ATOM 0 H LYS A 58 -15.728 7.692 2.904 1.00 0.00 H new ATOM 0 HA LYS A 58 -15.756 6.580 5.505 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -18.156 6.367 5.121 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -17.585 7.926 4.559 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -18.594 7.505 2.601 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -17.377 6.282 2.298 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -19.639 5.339 2.063 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -18.778 4.567 3.379 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -20.054 6.760 4.595 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -21.235 6.165 3.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -21.457 5.065 5.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -20.996 3.941 4.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -19.851 4.517 5.505 1.00 0.00 H new ATOM 850 N GLU A 59 -15.846 4.456 3.013 1.00 0.00 N ATOM 851 CA GLU A 59 -15.734 3.031 2.707 1.00 0.00 C ATOM 852 C GLU A 59 -14.381 2.518 3.183 1.00 0.00 C ATOM 853 O GLU A 59 -14.244 1.357 3.570 1.00 0.00 O ATOM 854 CB GLU A 59 -15.914 2.731 1.208 1.00 0.00 C ATOM 855 CG GLU A 59 -16.288 3.931 0.351 1.00 0.00 C ATOM 856 CD GLU A 59 -17.692 4.431 0.631 1.00 0.00 C ATOM 857 OE1 GLU A 59 -18.496 3.657 1.193 1.00 0.00 O ATOM 858 OE2 GLU A 59 -17.990 5.594 0.286 1.00 0.00 O ATOM 0 H GLU A 59 -15.780 5.076 2.205 1.00 0.00 H new ATOM 0 HA GLU A 59 -16.540 2.517 3.231 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -14.987 2.305 0.825 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -16.685 1.969 1.096 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -15.576 4.737 0.530 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -16.205 3.661 -0.702 1.00 0.00 H new ATOM 865 N LEU A 60 -13.385 3.402 3.167 1.00 0.00 N ATOM 866 CA LEU A 60 -12.044 3.053 3.614 1.00 0.00 C ATOM 867 C LEU A 60 -12.075 2.607 5.068 1.00 0.00 C ATOM 868 O LEU A 60 -11.589 1.531 5.411 1.00 0.00 O ATOM 869 CB LEU A 60 -11.099 4.246 3.455 1.00 0.00 C ATOM 870 CG LEU A 60 -10.522 4.427 2.051 1.00 0.00 C ATOM 871 CD1 LEU A 60 -10.250 5.897 1.768 1.00 0.00 C ATOM 872 CD2 LEU A 60 -9.255 3.600 1.887 1.00 0.00 C ATOM 0 H LEU A 60 -13.485 4.366 2.848 1.00 0.00 H new ATOM 0 HA LEU A 60 -11.678 2.232 2.998 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -11.634 5.154 3.732 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -10.275 4.134 4.159 1.00 0.00 H new ATOM 0 HG LEU A 60 -11.257 4.074 1.327 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -9.840 6.004 0.764 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -11.180 6.460 1.842 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -9.535 6.281 2.495 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -8.857 3.740 0.882 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -8.514 3.921 2.619 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -9.486 2.546 2.042 1.00 0.00 H new ATOM 884 N ARG A 61 -12.660 3.442 5.921 1.00 0.00 N ATOM 885 CA ARG A 61 -12.761 3.128 7.339 1.00 0.00 C ATOM 886 C ARG A 61 -13.787 2.024 7.582 1.00 0.00 C ATOM 887 O ARG A 61 -13.730 1.320 8.590 1.00 0.00 O ATOM 888 CB ARG A 61 -13.143 4.379 8.133 1.00 0.00 C ATOM 889 CG ARG A 61 -12.242 5.572 7.859 1.00 0.00 C ATOM 890 CD ARG A 61 -11.039 5.585 8.787 1.00 0.00 C ATOM 891 NE ARG A 61 -11.433 5.647 10.193 1.00 0.00 N ATOM 892 CZ ARG A 61 -10.616 5.362 11.204 1.00 0.00 C ATOM 893 NH1 ARG A 61 -9.361 4.997 10.971 1.00 0.00 N ATOM 894 NH2 ARG A 61 -11.055 5.444 12.453 1.00 0.00 N ATOM 0 H ARG A 61 -13.069 4.338 5.655 1.00 0.00 H new ATOM 0 HA ARG A 61 -11.787 2.774 7.677 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -14.172 4.649 7.896 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -13.111 4.147 9.198 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -11.904 5.544 6.823 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -12.809 6.494 7.984 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -10.441 4.690 8.617 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -10.407 6.441 8.549 1.00 0.00 H new ATOM 0 HE ARG A 61 -12.390 5.925 10.412 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -9.018 4.934 10.013 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -8.740 4.780 11.750 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -12.018 5.725 12.638 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -10.430 5.226 13.229 1.00 0.00 H new ATOM 908 N ASP A 62 -14.727 1.880 6.650 1.00 0.00 N ATOM 909 CA ASP A 62 -15.767 0.863 6.764 1.00 0.00 C ATOM 910 C ASP A 62 -15.259 -0.505 6.313 1.00 0.00 C ATOM 911 O ASP A 62 -15.803 -1.536 6.709 1.00 0.00 O ATOM 912 CB ASP A 62 -16.989 1.264 5.935 1.00 0.00 C ATOM 913 CG ASP A 62 -18.040 1.978 6.763 1.00 0.00 C ATOM 914 OD1 ASP A 62 -17.754 3.090 7.256 1.00 0.00 O ATOM 915 OD2 ASP A 62 -19.150 1.426 6.918 1.00 0.00 O ATOM 0 H ASP A 62 -14.789 2.454 5.809 1.00 0.00 H new ATOM 0 HA ASP A 62 -16.050 0.790 7.814 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -16.673 1.911 5.117 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -17.428 0.373 5.485 1.00 0.00 H new ATOM 920 N MET A 63 -14.215 -0.513 5.488 1.00 0.00 N ATOM 921 CA MET A 63 -13.647 -1.763 4.996 1.00 0.00 C ATOM 922 C MET A 63 -12.718 -2.382 6.032 1.00 0.00 C ATOM 923 O MET A 63 -12.426 -3.577 5.982 1.00 0.00 O ATOM 924 CB MET A 63 -12.867 -1.515 3.710 1.00 0.00 C ATOM 925 CG MET A 63 -13.713 -1.578 2.449 1.00 0.00 C ATOM 926 SD MET A 63 -12.758 -1.216 0.962 1.00 0.00 S ATOM 927 CE MET A 63 -11.649 0.050 1.576 1.00 0.00 C ATOM 0 H MET A 63 -13.748 0.328 5.148 1.00 0.00 H new ATOM 0 HA MET A 63 -14.469 -2.452 4.801 1.00 0.00 H new ATOM 0 HB2 MET A 63 -12.393 -0.535 3.768 1.00 0.00 H new ATOM 0 HB3 MET A 63 -12.067 -2.252 3.635 1.00 0.00 H new ATOM 0 HG2 MET A 63 -14.156 -2.570 2.361 1.00 0.00 H new ATOM 0 HG3 MET A 63 -14.536 -0.868 2.531 1.00 0.00 H new ATOM 0 HE1 MET A 63 -11.142 0.528 0.737 1.00 0.00 H new ATOM 0 HE2 MET A 63 -12.219 0.797 2.128 1.00 0.00 H new ATOM 0 HE3 MET A 63 -10.910 -0.403 2.236 1.00 0.00 H new ATOM 937 N GLY A 64 -12.251 -1.562 6.966 1.00 0.00 N ATOM 938 CA GLY A 64 -11.356 -2.051 7.992 1.00 0.00 C ATOM 939 C GLY A 64 -10.005 -1.368 7.957 1.00 0.00 C ATOM 940 O GLY A 64 -8.975 -2.007 8.174 1.00 0.00 O ATOM 0 H GLY A 64 -12.477 -0.569 7.029 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -11.812 -1.898 8.970 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -11.220 -3.125 7.869 1.00 0.00 H new ATOM 944 N ILE A 65 -10.001 -0.066 7.682 1.00 0.00 N ATOM 945 CA ILE A 65 -8.758 0.690 7.623 1.00 0.00 C ATOM 946 C ILE A 65 -8.537 1.488 8.906 1.00 0.00 C ATOM 947 O ILE A 65 -9.401 2.252 9.337 1.00 0.00 O ATOM 948 CB ILE A 65 -8.722 1.626 6.391 1.00 0.00 C ATOM 949 CG1 ILE A 65 -7.363 1.536 5.705 1.00 0.00 C ATOM 950 CG2 ILE A 65 -9.032 3.071 6.768 1.00 0.00 C ATOM 951 CD1 ILE A 65 -7.254 2.412 4.480 1.00 0.00 C ATOM 0 H ILE A 65 -10.841 0.483 7.498 1.00 0.00 H new ATOM 0 HA ILE A 65 -7.946 -0.030 7.523 1.00 0.00 H new ATOM 0 HB ILE A 65 -9.497 1.295 5.699 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -6.586 1.818 6.415 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -7.175 0.501 5.421 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -8.997 3.696 5.875 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -10.027 3.126 7.210 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -8.295 3.425 7.488 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -6.263 2.301 4.040 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -8.009 2.115 3.752 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -7.411 3.453 4.762 1.00 0.00 H new ATOM 963 N THR A 66 -7.373 1.298 9.515 1.00 0.00 N ATOM 964 CA THR A 66 -7.035 1.991 10.752 1.00 0.00 C ATOM 965 C THR A 66 -6.344 3.324 10.478 1.00 0.00 C ATOM 966 O THR A 66 -6.217 4.157 11.376 1.00 0.00 O ATOM 967 CB THR A 66 -6.136 1.111 11.621 1.00 0.00 C ATOM 968 OG1 THR A 66 -5.577 1.860 12.685 1.00 0.00 O ATOM 969 CG2 THR A 66 -4.994 0.483 10.852 1.00 0.00 C ATOM 0 H THR A 66 -6.647 0.669 9.172 1.00 0.00 H new ATOM 0 HA THR A 66 -7.966 2.195 11.281 1.00 0.00 H new ATOM 0 HB THR A 66 -6.782 0.317 11.995 1.00 0.00 H new ATOM 0 HG1 THR A 66 -5.732 2.815 12.529 1.00 0.00 H new ATOM 0 HG21 THR A 66 -4.394 -0.129 11.526 1.00 0.00 H new ATOM 0 HG22 THR A 66 -5.393 -0.142 10.053 1.00 0.00 H new ATOM 0 HG23 THR A 66 -4.370 1.267 10.422 1.00 0.00 H new ATOM 977 N LEU A 67 -5.890 3.529 9.242 1.00 0.00 N ATOM 978 CA LEU A 67 -5.212 4.769 8.884 1.00 0.00 C ATOM 979 C LEU A 67 -4.845 4.787 7.404 1.00 0.00 C ATOM 980 O LEU A 67 -4.362 3.797 6.855 1.00 0.00 O ATOM 981 CB LEU A 67 -3.960 4.950 9.756 1.00 0.00 C ATOM 982 CG LEU A 67 -2.899 5.932 9.240 1.00 0.00 C ATOM 983 CD1 LEU A 67 -2.062 5.297 8.138 1.00 0.00 C ATOM 984 CD2 LEU A 67 -3.544 7.223 8.753 1.00 0.00 C ATOM 0 H LEU A 67 -5.979 2.857 8.479 1.00 0.00 H new ATOM 0 HA LEU A 67 -5.893 5.600 9.066 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -4.278 5.281 10.745 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -3.489 3.975 9.882 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.236 6.177 10.070 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -1.317 6.012 7.789 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -1.560 4.411 8.527 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.709 5.012 7.308 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.771 7.902 8.392 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -4.238 7.000 7.943 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -4.085 7.692 9.575 1.00 0.00 H new ATOM 996 N HIS A 68 -5.075 5.930 6.774 1.00 0.00 N ATOM 997 CA HIS A 68 -4.771 6.113 5.361 1.00 0.00 C ATOM 998 C HIS A 68 -4.196 7.504 5.127 1.00 0.00 C ATOM 999 O HIS A 68 -4.835 8.504 5.455 1.00 0.00 O ATOM 1000 CB HIS A 68 -6.031 5.922 4.516 1.00 0.00 C ATOM 1001 CG HIS A 68 -7.187 6.761 4.968 1.00 0.00 C ATOM 1002 ND1 HIS A 68 -7.904 6.497 6.116 1.00 0.00 N ATOM 1003 CD2 HIS A 68 -7.749 7.864 4.421 1.00 0.00 C ATOM 1004 CE1 HIS A 68 -8.857 7.401 6.255 1.00 0.00 C ATOM 1005 NE2 HIS A 68 -8.784 8.242 5.240 1.00 0.00 N ATOM 0 H HIS A 68 -5.475 6.753 7.224 1.00 0.00 H new ATOM 0 HA HIS A 68 -4.034 5.367 5.064 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -5.802 6.162 3.478 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -6.322 4.872 4.544 1.00 0.00 H new ATOM 0 HD1 HIS A 68 -7.726 5.724 6.758 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -7.441 8.355 3.510 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -9.574 7.445 7.062 1.00 0.00 H new ATOM 1014 N LEU A 69 -2.985 7.577 4.577 1.00 0.00 N ATOM 1015 CA LEU A 69 -2.359 8.871 4.337 1.00 0.00 C ATOM 1016 C LEU A 69 -1.393 8.847 3.149 1.00 0.00 C ATOM 1017 O LEU A 69 -1.061 7.787 2.609 1.00 0.00 O ATOM 1018 CB LEU A 69 -1.654 9.356 5.615 1.00 0.00 C ATOM 1019 CG LEU A 69 -0.245 8.805 5.870 1.00 0.00 C ATOM 1020 CD1 LEU A 69 -0.183 7.305 5.617 1.00 0.00 C ATOM 1021 CD2 LEU A 69 0.770 9.542 5.013 1.00 0.00 C ATOM 0 H LEU A 69 -2.428 6.770 4.295 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.148 9.575 4.074 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.594 10.444 5.580 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.281 9.099 6.469 1.00 0.00 H new ATOM 0 HG LEU A 69 0.000 8.970 6.919 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.828 6.946 5.806 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.880 6.795 6.282 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.453 7.099 4.581 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.766 9.142 5.203 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.521 9.410 3.960 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.752 10.603 5.260 1.00 0.00 H new ATOM 1033 N LEU A 70 -0.965 10.044 2.751 1.00 0.00 N ATOM 1034 CA LEU A 70 -0.048 10.230 1.631 1.00 0.00 C ATOM 1035 C LEU A 70 1.402 10.067 2.062 1.00 0.00 C ATOM 1036 O LEU A 70 1.842 10.681 3.033 1.00 0.00 O ATOM 1037 CB LEU A 70 -0.223 11.635 1.056 1.00 0.00 C ATOM 1038 CG LEU A 70 -1.072 11.738 -0.205 1.00 0.00 C ATOM 1039 CD1 LEU A 70 -0.975 13.143 -0.775 1.00 0.00 C ATOM 1040 CD2 LEU A 70 -0.635 10.709 -1.239 1.00 0.00 C ATOM 0 H LEU A 70 -1.247 10.916 3.200 1.00 0.00 H new ATOM 0 HA LEU A 70 -0.281 9.471 0.884 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -0.669 12.268 1.823 1.00 0.00 H new ATOM 0 HB3 LEU A 70 0.764 12.044 0.840 1.00 0.00 H new ATOM 0 HG LEU A 70 -2.110 11.531 0.054 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -1.583 13.213 -1.677 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -1.335 13.860 -0.038 1.00 0.00 H new ATOM 0 HD13 LEU A 70 0.064 13.365 -1.020 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -1.256 10.802 -2.130 1.00 0.00 H new ATOM 0 HD22 LEU A 70 0.408 10.880 -1.504 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -0.744 9.707 -0.824 1.00 0.00 H new ATOM 1052 N LEU A 71 2.161 9.277 1.316 1.00 0.00 N ATOM 1053 CA LEU A 71 3.578 9.089 1.635 1.00 0.00 C ATOM 1054 C LEU A 71 4.277 10.436 1.738 1.00 0.00 C ATOM 1055 O LEU A 71 5.280 10.586 2.437 1.00 0.00 O ATOM 1056 CB LEU A 71 4.272 8.250 0.574 1.00 0.00 C ATOM 1057 CG LEU A 71 3.455 7.094 0.020 1.00 0.00 C ATOM 1058 CD1 LEU A 71 2.918 7.440 -1.355 1.00 0.00 C ATOM 1059 CD2 LEU A 71 4.291 5.824 -0.023 1.00 0.00 C ATOM 0 H LEU A 71 1.832 8.762 0.499 1.00 0.00 H new ATOM 0 HA LEU A 71 3.636 8.568 2.591 1.00 0.00 H new ATOM 0 HB2 LEU A 71 4.555 8.902 -0.253 1.00 0.00 H new ATOM 0 HB3 LEU A 71 5.195 7.851 0.996 1.00 0.00 H new ATOM 0 HG LEU A 71 2.607 6.916 0.681 1.00 0.00 H new ATOM 0 HD11 LEU A 71 2.335 6.603 -1.739 1.00 0.00 H new ATOM 0 HD12 LEU A 71 2.283 8.323 -1.286 1.00 0.00 H new ATOM 0 HD13 LEU A 71 3.750 7.643 -2.030 1.00 0.00 H new ATOM 0 HD21 LEU A 71 3.691 5.007 -0.422 1.00 0.00 H new ATOM 0 HD22 LEU A 71 5.160 5.982 -0.662 1.00 0.00 H new ATOM 0 HD23 LEU A 71 4.623 5.572 0.984 1.00 0.00 H new ATOM 1071 N HIS A 72 3.727 11.412 1.029 1.00 0.00 N ATOM 1072 CA HIS A 72 4.265 12.764 1.015 1.00 0.00 C ATOM 1073 C HIS A 72 3.648 13.596 2.127 1.00 0.00 C ATOM 1074 O HIS A 72 3.377 14.785 1.953 1.00 0.00 O ATOM 1075 CB HIS A 72 3.978 13.419 -0.332 1.00 0.00 C ATOM 1076 CG HIS A 72 4.871 14.580 -0.641 1.00 0.00 C ATOM 1077 ND1 HIS A 72 4.810 15.283 -1.825 1.00 0.00 N ATOM 1078 CD2 HIS A 72 5.853 15.162 0.090 1.00 0.00 C ATOM 1079 CE1 HIS A 72 5.715 16.246 -1.810 1.00 0.00 C ATOM 1080 NE2 HIS A 72 6.360 16.194 -0.659 1.00 0.00 N ATOM 0 H HIS A 72 2.897 11.289 0.449 1.00 0.00 H new ATOM 0 HA HIS A 72 5.342 12.711 1.174 1.00 0.00 H new ATOM 0 HB2 HIS A 72 4.083 12.672 -1.119 1.00 0.00 H new ATOM 0 HB3 HIS A 72 2.941 13.755 -0.349 1.00 0.00 H new ATOM 0 HD2 HIS A 72 6.176 14.868 1.078 1.00 0.00 H new ATOM 0 HE1 HIS A 72 5.896 16.955 -2.604 1.00 0.00 H new ATOM 0 HE2 HIS A 72 7.113 16.820 -0.373 1.00 0.00 H new ATOM 1089 N SER A 73 3.420 12.963 3.266 1.00 0.00 N ATOM 1090 CA SER A 73 2.825 13.650 4.405 1.00 0.00 C ATOM 1091 C SER A 73 3.253 13.010 5.723 1.00 0.00 C ATOM 1092 O SER A 73 3.789 11.902 5.741 1.00 0.00 O ATOM 1093 CB SER A 73 1.298 13.641 4.288 1.00 0.00 C ATOM 1094 OG SER A 73 0.736 12.523 4.954 1.00 0.00 O ATOM 0 H SER A 73 3.636 11.979 3.428 1.00 0.00 H new ATOM 0 HA SER A 73 3.179 14.681 4.399 1.00 0.00 H new ATOM 0 HB2 SER A 73 0.893 14.560 4.712 1.00 0.00 H new ATOM 0 HB3 SER A 73 1.012 13.622 3.236 1.00 0.00 H new ATOM 0 HG SER A 73 -0.240 12.545 4.864 1.00 0.00 H new ATOM 1100 N ASP A 74 3.006 13.715 6.823 1.00 0.00 N ATOM 1101 CA ASP A 74 3.360 13.211 8.145 1.00 0.00 C ATOM 1102 C ASP A 74 2.604 11.922 8.445 1.00 0.00 C ATOM 1103 O ASP A 74 1.390 11.935 8.645 1.00 0.00 O ATOM 1104 CB ASP A 74 3.048 14.261 9.215 1.00 0.00 C ATOM 1105 CG ASP A 74 3.807 15.553 8.996 1.00 0.00 C ATOM 1106 OD1 ASP A 74 3.551 16.226 7.975 1.00 0.00 O ATOM 1107 OD2 ASP A 74 4.658 15.894 9.845 1.00 0.00 O ATOM 0 H ASP A 74 2.564 14.634 6.825 1.00 0.00 H new ATOM 0 HA ASP A 74 4.429 13.000 8.157 1.00 0.00 H new ATOM 0 HB2 ASP A 74 1.978 14.467 9.216 1.00 0.00 H new ATOM 0 HB3 ASP A 74 3.296 13.859 10.197 1.00 0.00 H new ATOM 1112 N ARG A 75 3.329 10.809 8.465 1.00 0.00 N ATOM 1113 CA ARG A 75 2.723 9.511 8.730 1.00 0.00 C ATOM 1114 C ARG A 75 2.637 9.233 10.224 1.00 0.00 C ATOM 1115 O ARG A 75 3.416 9.768 11.014 1.00 0.00 O ATOM 1116 CB ARG A 75 3.518 8.403 8.038 1.00 0.00 C ATOM 1117 CG ARG A 75 3.158 8.234 6.573 1.00 0.00 C ATOM 1118 CD ARG A 75 3.924 7.090 5.931 1.00 0.00 C ATOM 1119 NE ARG A 75 4.655 7.530 4.746 1.00 0.00 N ATOM 1120 CZ ARG A 75 5.969 7.754 4.716 1.00 0.00 C ATOM 1121 NH1 ARG A 75 6.709 7.595 5.807 1.00 0.00 N ATOM 1122 NH2 ARG A 75 6.545 8.148 3.589 1.00 0.00 N ATOM 0 H ARG A 75 4.335 10.780 8.301 1.00 0.00 H new ATOM 0 HA ARG A 75 1.709 9.530 8.330 1.00 0.00 H new ATOM 0 HB2 ARG A 75 4.582 8.623 8.121 1.00 0.00 H new ATOM 0 HB3 ARG A 75 3.345 7.461 8.559 1.00 0.00 H new ATOM 0 HG2 ARG A 75 2.087 8.051 6.481 1.00 0.00 H new ATOM 0 HG3 ARG A 75 3.371 9.159 6.038 1.00 0.00 H new ATOM 0 HD2 ARG A 75 4.622 6.668 6.654 1.00 0.00 H new ATOM 0 HD3 ARG A 75 3.230 6.295 5.657 1.00 0.00 H new ATOM 0 HE ARG A 75 4.126 7.675 3.886 1.00 0.00 H new ATOM 0 HH11 ARG A 75 6.273 7.298 6.680 1.00 0.00 H new ATOM 0 HH12 ARG A 75 7.713 7.769 5.772 1.00 0.00 H new ATOM 0 HH21 ARG A 75 5.983 8.279 2.748 1.00 0.00 H new ATOM 0 HH22 ARG A 75 7.550 8.320 3.563 1.00 0.00 H new ATOM 1136 N ASP A 76 1.689 8.384 10.602 1.00 0.00 N ATOM 1137 CA ASP A 76 1.498 8.020 12.000 1.00 0.00 C ATOM 1138 C ASP A 76 2.107 6.652 12.280 1.00 0.00 C ATOM 1139 O ASP A 76 2.152 5.792 11.399 1.00 0.00 O ATOM 1140 CB ASP A 76 0.008 8.010 12.349 1.00 0.00 C ATOM 1141 CG ASP A 76 -0.493 9.374 12.780 1.00 0.00 C ATOM 1142 OD1 ASP A 76 0.083 9.946 13.731 1.00 0.00 O ATOM 1143 OD2 ASP A 76 -1.461 9.872 12.168 1.00 0.00 O ATOM 0 H ASP A 76 1.039 7.934 9.958 1.00 0.00 H new ATOM 0 HA ASP A 76 2.000 8.762 12.621 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -0.563 7.673 11.484 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -0.170 7.291 13.149 1.00 0.00 H new ATOM 1148 N PRO A 77 2.594 6.428 13.510 1.00 0.00 N ATOM 1149 CA PRO A 77 3.208 5.162 13.890 1.00 0.00 C ATOM 1150 C PRO A 77 2.192 4.122 14.355 1.00 0.00 C ATOM 1151 O PRO A 77 1.609 4.243 15.434 1.00 0.00 O ATOM 1152 CB PRO A 77 4.118 5.572 15.043 1.00 0.00 C ATOM 1153 CG PRO A 77 3.399 6.702 15.702 1.00 0.00 C ATOM 1154 CD PRO A 77 2.599 7.395 14.624 1.00 0.00 C ATOM 0 HA PRO A 77 3.720 4.685 13.054 1.00 0.00 H new ATOM 0 HB2 PRO A 77 4.278 4.746 15.735 1.00 0.00 H new ATOM 0 HB3 PRO A 77 5.099 5.882 14.684 1.00 0.00 H new ATOM 0 HG2 PRO A 77 2.746 6.336 16.494 1.00 0.00 H new ATOM 0 HG3 PRO A 77 4.104 7.392 16.165 1.00 0.00 H new ATOM 0 HD2 PRO A 77 1.587 7.622 14.961 1.00 0.00 H new ATOM 0 HD3 PRO A 77 3.057 8.340 14.331 1.00 0.00 H new ATOM 1162 N ILE A 78 2.001 3.089 13.540 1.00 0.00 N ATOM 1163 CA ILE A 78 1.075 2.010 13.865 1.00 0.00 C ATOM 1164 C ILE A 78 1.742 0.655 13.639 1.00 0.00 C ATOM 1165 O ILE A 78 1.266 -0.169 12.858 1.00 0.00 O ATOM 1166 CB ILE A 78 -0.216 2.092 13.028 1.00 0.00 C ATOM 1167 CG1 ILE A 78 -0.796 3.505 13.079 1.00 0.00 C ATOM 1168 CG2 ILE A 78 -1.237 1.081 13.529 1.00 0.00 C ATOM 1169 CD1 ILE A 78 -0.132 4.465 12.119 1.00 0.00 C ATOM 0 H ILE A 78 2.478 2.977 12.645 1.00 0.00 H new ATOM 0 HA ILE A 78 0.806 2.118 14.916 1.00 0.00 H new ATOM 0 HB ILE A 78 0.027 1.855 11.992 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -1.862 3.460 12.856 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -0.699 3.893 14.093 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -2.144 1.151 12.928 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -0.824 0.076 13.447 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -1.476 1.291 14.572 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -0.594 5.448 12.210 1.00 0.00 H new ATOM 0 HD12 ILE A 78 0.929 4.540 12.355 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -0.252 4.100 11.099 1.00 0.00 H new ATOM 1181 N ARG A 79 2.861 0.445 14.325 1.00 0.00 N ATOM 1182 CA ARG A 79 3.627 -0.793 14.208 1.00 0.00 C ATOM 1183 C ARG A 79 2.811 -2.013 14.622 1.00 0.00 C ATOM 1184 O ARG A 79 3.152 -3.141 14.274 1.00 0.00 O ATOM 1185 CB ARG A 79 4.882 -0.709 15.072 1.00 0.00 C ATOM 1186 CG ARG A 79 4.616 -0.216 16.486 1.00 0.00 C ATOM 1187 CD ARG A 79 4.981 1.252 16.645 1.00 0.00 C ATOM 1188 NE ARG A 79 3.995 1.976 17.444 1.00 0.00 N ATOM 1189 CZ ARG A 79 3.871 1.848 18.763 1.00 0.00 C ATOM 1190 NH1 ARG A 79 4.670 1.028 19.436 1.00 0.00 N ATOM 1191 NH2 ARG A 79 2.946 2.542 19.413 1.00 0.00 N ATOM 0 H ARG A 79 3.261 1.123 14.974 1.00 0.00 H new ATOM 0 HA ARG A 79 3.898 -0.910 13.159 1.00 0.00 H new ATOM 0 HB2 ARG A 79 5.346 -1.694 15.121 1.00 0.00 H new ATOM 0 HB3 ARG A 79 5.599 -0.043 14.593 1.00 0.00 H new ATOM 0 HG2 ARG A 79 3.563 -0.358 16.729 1.00 0.00 H new ATOM 0 HG3 ARG A 79 5.190 -0.813 17.194 1.00 0.00 H new ATOM 0 HD2 ARG A 79 5.960 1.333 17.116 1.00 0.00 H new ATOM 0 HD3 ARG A 79 5.061 1.715 15.661 1.00 0.00 H new ATOM 0 HE ARG A 79 3.365 2.617 16.963 1.00 0.00 H new ATOM 0 HH11 ARG A 79 5.384 0.492 18.942 1.00 0.00 H new ATOM 0 HH12 ARG A 79 4.570 0.934 20.447 1.00 0.00 H new ATOM 0 HH21 ARG A 79 2.330 3.174 18.902 1.00 0.00 H new ATOM 0 HH22 ARG A 79 2.851 2.444 20.424 1.00 0.00 H new ATOM 1205 N ASP A 80 1.750 -1.788 15.384 1.00 0.00 N ATOM 1206 CA ASP A 80 0.909 -2.885 15.859 1.00 0.00 C ATOM 1207 C ASP A 80 -0.220 -3.214 14.879 1.00 0.00 C ATOM 1208 O ASP A 80 -1.201 -3.855 15.256 1.00 0.00 O ATOM 1209 CB ASP A 80 0.319 -2.540 17.226 1.00 0.00 C ATOM 1210 CG ASP A 80 0.054 -3.771 18.069 1.00 0.00 C ATOM 1211 OD1 ASP A 80 1.029 -4.462 18.436 1.00 0.00 O ATOM 1212 OD2 ASP A 80 -1.129 -4.047 18.361 1.00 0.00 O ATOM 0 H ASP A 80 1.450 -0.862 15.687 1.00 0.00 H new ATOM 0 HA ASP A 80 1.544 -3.767 15.941 1.00 0.00 H new ATOM 0 HB2 ASP A 80 1.004 -1.879 17.758 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -0.612 -1.990 17.088 1.00 0.00 H new ATOM 1217 N VAL A 81 -0.091 -2.774 13.630 1.00 0.00 N ATOM 1218 CA VAL A 81 -1.118 -3.035 12.632 1.00 0.00 C ATOM 1219 C VAL A 81 -0.523 -3.154 11.227 1.00 0.00 C ATOM 1220 O VAL A 81 0.324 -2.350 10.837 1.00 0.00 O ATOM 1221 CB VAL A 81 -2.162 -1.910 12.631 1.00 0.00 C ATOM 1222 CG1 VAL A 81 -3.298 -2.224 11.670 1.00 0.00 C ATOM 1223 CG2 VAL A 81 -2.691 -1.671 14.037 1.00 0.00 C ATOM 0 H VAL A 81 0.708 -2.240 13.289 1.00 0.00 H new ATOM 0 HA VAL A 81 -1.588 -3.982 12.897 1.00 0.00 H new ATOM 0 HB VAL A 81 -1.677 -0.996 12.289 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -4.025 -1.412 11.688 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -2.901 -2.334 10.661 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -3.784 -3.152 11.972 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -3.430 -0.870 14.016 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -3.155 -2.583 14.411 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -1.867 -1.388 14.692 1.00 0.00 H new ATOM 1233 N PRO A 82 -0.968 -4.152 10.437 1.00 0.00 N ATOM 1234 CA PRO A 82 -0.478 -4.351 9.068 1.00 0.00 C ATOM 1235 C PRO A 82 -0.810 -3.163 8.172 1.00 0.00 C ATOM 1236 O PRO A 82 -1.957 -2.718 8.118 1.00 0.00 O ATOM 1237 CB PRO A 82 -1.222 -5.604 8.586 1.00 0.00 C ATOM 1238 CG PRO A 82 -1.726 -6.262 9.825 1.00 0.00 C ATOM 1239 CD PRO A 82 -1.982 -5.155 10.804 1.00 0.00 C ATOM 0 HA PRO A 82 0.607 -4.454 9.035 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -2.042 -5.342 7.918 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -0.558 -6.267 8.031 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -2.638 -6.825 9.625 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -0.995 -6.969 10.217 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -2.994 -4.760 10.712 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -1.864 -5.491 11.834 1.00 0.00 H new ATOM 1247 N ALA A 83 0.198 -2.641 7.480 1.00 0.00 N ATOM 1248 CA ALA A 83 0.000 -1.494 6.603 1.00 0.00 C ATOM 1249 C ALA A 83 0.028 -1.884 5.130 1.00 0.00 C ATOM 1250 O ALA A 83 0.406 -2.998 4.769 1.00 0.00 O ATOM 1251 CB ALA A 83 1.052 -0.436 6.881 1.00 0.00 C ATOM 0 H ALA A 83 1.155 -2.992 7.510 1.00 0.00 H new ATOM 0 HA ALA A 83 -0.990 -1.090 6.815 1.00 0.00 H new ATOM 0 HB1 ALA A 83 0.894 0.416 6.220 1.00 0.00 H new ATOM 0 HB2 ALA A 83 0.975 -0.110 7.918 1.00 0.00 H new ATOM 0 HB3 ALA A 83 2.043 -0.853 6.705 1.00 0.00 H new ATOM 1257 N VAL A 84 -0.376 -0.938 4.289 1.00 0.00 N ATOM 1258 CA VAL A 84 -0.409 -1.132 2.845 1.00 0.00 C ATOM 1259 C VAL A 84 0.136 0.104 2.142 1.00 0.00 C ATOM 1260 O VAL A 84 -0.181 1.223 2.526 1.00 0.00 O ATOM 1261 CB VAL A 84 -1.847 -1.389 2.358 1.00 0.00 C ATOM 1262 CG1 VAL A 84 -1.866 -1.702 0.873 1.00 0.00 C ATOM 1263 CG2 VAL A 84 -2.492 -2.506 3.159 1.00 0.00 C ATOM 0 H VAL A 84 -0.690 -0.015 4.590 1.00 0.00 H new ATOM 0 HA VAL A 84 0.208 -1.999 2.608 1.00 0.00 H new ATOM 0 HB VAL A 84 -2.429 -0.481 2.516 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -2.892 -1.880 0.552 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -1.453 -0.859 0.318 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -1.266 -2.592 0.681 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -3.507 -2.672 2.799 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -1.911 -3.421 3.041 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -2.521 -2.228 4.213 1.00 0.00 H new ATOM 1273 N TYR A 85 0.967 -0.091 1.125 1.00 0.00 N ATOM 1274 CA TYR A 85 1.545 1.038 0.403 1.00 0.00 C ATOM 1275 C TYR A 85 1.265 0.952 -1.098 1.00 0.00 C ATOM 1276 O TYR A 85 2.139 0.580 -1.881 1.00 0.00 O ATOM 1277 CB TYR A 85 3.054 1.101 0.643 1.00 0.00 C ATOM 1278 CG TYR A 85 3.451 1.704 1.975 1.00 0.00 C ATOM 1279 CD1 TYR A 85 2.967 1.187 3.172 1.00 0.00 C ATOM 1280 CD2 TYR A 85 4.314 2.792 2.036 1.00 0.00 C ATOM 1281 CE1 TYR A 85 3.333 1.735 4.388 1.00 0.00 C ATOM 1282 CE2 TYR A 85 4.684 3.346 3.247 1.00 0.00 C ATOM 1283 CZ TYR A 85 4.193 2.813 4.419 1.00 0.00 C ATOM 1284 OH TYR A 85 4.560 3.361 5.626 1.00 0.00 O ATOM 0 H TYR A 85 1.254 -1.009 0.784 1.00 0.00 H new ATOM 0 HA TYR A 85 1.076 1.946 0.783 1.00 0.00 H new ATOM 0 HB2 TYR A 85 3.462 0.092 0.578 1.00 0.00 H new ATOM 0 HB3 TYR A 85 3.513 1.683 -0.157 1.00 0.00 H new ATOM 0 HD1 TYR A 85 2.294 0.343 3.152 1.00 0.00 H new ATOM 0 HD2 TYR A 85 4.703 3.212 1.120 1.00 0.00 H new ATOM 0 HE1 TYR A 85 2.948 1.321 5.308 1.00 0.00 H new ATOM 0 HE2 TYR A 85 5.354 4.192 3.275 1.00 0.00 H new ATOM 0 HH TYR A 85 3.840 3.228 6.278 1.00 0.00 H new ATOM 1294 N PHE A 86 0.048 1.320 -1.497 1.00 0.00 N ATOM 1295 CA PHE A 86 -0.332 1.304 -2.908 1.00 0.00 C ATOM 1296 C PHE A 86 0.117 2.602 -3.575 1.00 0.00 C ATOM 1297 O PHE A 86 -0.625 3.582 -3.612 1.00 0.00 O ATOM 1298 CB PHE A 86 -1.848 1.106 -3.047 1.00 0.00 C ATOM 1299 CG PHE A 86 -2.447 1.674 -4.304 1.00 0.00 C ATOM 1300 CD1 PHE A 86 -1.817 1.518 -5.525 1.00 0.00 C ATOM 1301 CD2 PHE A 86 -3.651 2.353 -4.261 1.00 0.00 C ATOM 1302 CE1 PHE A 86 -2.378 2.028 -6.677 1.00 0.00 C ATOM 1303 CE2 PHE A 86 -4.215 2.868 -5.410 1.00 0.00 C ATOM 1304 CZ PHE A 86 -3.576 2.702 -6.619 1.00 0.00 C ATOM 0 H PHE A 86 -0.689 1.632 -0.865 1.00 0.00 H new ATOM 0 HA PHE A 86 0.162 0.470 -3.407 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -2.066 0.039 -3.008 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -2.340 1.563 -2.188 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -0.876 0.991 -5.577 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -4.157 2.482 -3.315 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -1.877 1.898 -7.625 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -5.154 3.399 -5.362 1.00 0.00 H new ATOM 0 HZ PHE A 86 -4.015 3.101 -7.521 1.00 0.00 H new ATOM 1314 N VAL A 87 1.351 2.609 -4.074 1.00 0.00 N ATOM 1315 CA VAL A 87 1.911 3.799 -4.705 1.00 0.00 C ATOM 1316 C VAL A 87 2.748 3.460 -5.938 1.00 0.00 C ATOM 1317 O VAL A 87 2.947 2.294 -6.268 1.00 0.00 O ATOM 1318 CB VAL A 87 2.781 4.585 -3.708 1.00 0.00 C ATOM 1319 CG1 VAL A 87 1.984 4.935 -2.466 1.00 0.00 C ATOM 1320 CG2 VAL A 87 4.016 3.793 -3.326 1.00 0.00 C ATOM 0 H VAL A 87 1.980 1.806 -4.053 1.00 0.00 H new ATOM 0 HA VAL A 87 1.066 4.410 -5.022 1.00 0.00 H new ATOM 0 HB VAL A 87 3.098 5.507 -4.194 1.00 0.00 H new ATOM 0 HG11 VAL A 87 2.616 5.490 -1.773 1.00 0.00 H new ATOM 0 HG12 VAL A 87 1.126 5.547 -2.745 1.00 0.00 H new ATOM 0 HG13 VAL A 87 1.637 4.020 -1.987 1.00 0.00 H new ATOM 0 HG21 VAL A 87 4.614 4.370 -2.621 1.00 0.00 H new ATOM 0 HG22 VAL A 87 3.716 2.852 -2.864 1.00 0.00 H new ATOM 0 HG23 VAL A 87 4.606 3.587 -4.219 1.00 0.00 H new ATOM 1330 N MET A 88 3.230 4.497 -6.615 1.00 0.00 N ATOM 1331 CA MET A 88 4.047 4.327 -7.813 1.00 0.00 C ATOM 1332 C MET A 88 5.504 4.068 -7.448 1.00 0.00 C ATOM 1333 O MET A 88 6.018 4.640 -6.490 1.00 0.00 O ATOM 1334 CB MET A 88 3.944 5.575 -8.693 1.00 0.00 C ATOM 1335 CG MET A 88 4.571 5.411 -10.065 1.00 0.00 C ATOM 1336 SD MET A 88 4.195 6.788 -11.160 1.00 0.00 S ATOM 1337 CE MET A 88 2.422 6.598 -11.310 1.00 0.00 C ATOM 0 H MET A 88 3.068 5.469 -6.353 1.00 0.00 H new ATOM 0 HA MET A 88 3.674 3.463 -8.363 1.00 0.00 H new ATOM 0 HB2 MET A 88 2.893 5.837 -8.813 1.00 0.00 H new ATOM 0 HB3 MET A 88 4.424 6.409 -8.182 1.00 0.00 H new ATOM 0 HG2 MET A 88 5.652 5.319 -9.959 1.00 0.00 H new ATOM 0 HG3 MET A 88 4.215 4.484 -10.516 1.00 0.00 H new ATOM 0 HE1 MET A 88 2.093 6.995 -12.270 1.00 0.00 H new ATOM 0 HE2 MET A 88 2.163 5.541 -11.246 1.00 0.00 H new ATOM 0 HE3 MET A 88 1.928 7.142 -10.505 1.00 0.00 H new ATOM 1347 N PRO A 89 6.194 3.194 -8.204 1.00 0.00 N ATOM 1348 CA PRO A 89 7.593 2.871 -7.940 1.00 0.00 C ATOM 1349 C PRO A 89 8.556 3.908 -8.506 1.00 0.00 C ATOM 1350 O PRO A 89 9.570 3.558 -9.112 1.00 0.00 O ATOM 1351 CB PRO A 89 7.777 1.533 -8.649 1.00 0.00 C ATOM 1352 CG PRO A 89 6.820 1.576 -9.792 1.00 0.00 C ATOM 1353 CD PRO A 89 5.667 2.449 -9.364 1.00 0.00 C ATOM 0 HA PRO A 89 7.809 2.845 -6.872 1.00 0.00 H new ATOM 0 HB2 PRO A 89 8.803 1.406 -8.996 1.00 0.00 H new ATOM 0 HB3 PRO A 89 7.560 0.698 -7.982 1.00 0.00 H new ATOM 0 HG2 PRO A 89 7.300 1.980 -10.683 1.00 0.00 H new ATOM 0 HG3 PRO A 89 6.473 0.574 -10.043 1.00 0.00 H new ATOM 0 HD2 PRO A 89 5.358 3.122 -10.164 1.00 0.00 H new ATOM 0 HD3 PRO A 89 4.795 1.854 -9.093 1.00 0.00 H new ATOM 1361 N THR A 90 8.247 5.181 -8.297 1.00 0.00 N ATOM 1362 CA THR A 90 9.097 6.253 -8.778 1.00 0.00 C ATOM 1363 C THR A 90 10.313 6.404 -7.871 1.00 0.00 C ATOM 1364 O THR A 90 10.265 6.040 -6.696 1.00 0.00 O ATOM 1365 CB THR A 90 8.314 7.564 -8.835 1.00 0.00 C ATOM 1366 OG1 THR A 90 8.264 8.180 -7.561 1.00 0.00 O ATOM 1367 CG2 THR A 90 6.890 7.395 -9.323 1.00 0.00 C ATOM 0 H THR A 90 7.414 5.493 -7.798 1.00 0.00 H new ATOM 0 HA THR A 90 9.437 6.007 -9.784 1.00 0.00 H new ATOM 0 HB THR A 90 8.853 8.186 -9.550 1.00 0.00 H new ATOM 0 HG1 THR A 90 7.512 8.808 -7.531 1.00 0.00 H new ATOM 0 HG21 THR A 90 6.393 8.365 -9.338 1.00 0.00 H new ATOM 0 HG22 THR A 90 6.898 6.975 -10.329 1.00 0.00 H new ATOM 0 HG23 THR A 90 6.353 6.723 -8.653 1.00 0.00 H new ATOM 1375 N GLU A 91 11.402 6.934 -8.421 1.00 0.00 N ATOM 1376 CA GLU A 91 12.637 7.125 -7.658 1.00 0.00 C ATOM 1377 C GLU A 91 12.346 7.688 -6.269 1.00 0.00 C ATOM 1378 O GLU A 91 12.872 7.202 -5.266 1.00 0.00 O ATOM 1379 CB GLU A 91 13.591 8.064 -8.403 1.00 0.00 C ATOM 1380 CG GLU A 91 13.628 7.838 -9.905 1.00 0.00 C ATOM 1381 CD GLU A 91 14.893 8.377 -10.545 1.00 0.00 C ATOM 1382 OE1 GLU A 91 14.933 9.586 -10.855 1.00 0.00 O ATOM 1383 OE2 GLU A 91 15.842 7.589 -10.736 1.00 0.00 O ATOM 0 H GLU A 91 11.457 7.240 -9.393 1.00 0.00 H new ATOM 0 HA GLU A 91 13.109 6.149 -7.546 1.00 0.00 H new ATOM 0 HB2 GLU A 91 13.297 9.095 -8.208 1.00 0.00 H new ATOM 0 HB3 GLU A 91 14.596 7.938 -8.001 1.00 0.00 H new ATOM 0 HG2 GLU A 91 13.548 6.770 -10.110 1.00 0.00 H new ATOM 0 HG3 GLU A 91 12.762 8.316 -10.362 1.00 0.00 H new ATOM 1390 N GLU A 92 11.510 8.718 -6.220 1.00 0.00 N ATOM 1391 CA GLU A 92 11.155 9.348 -4.955 1.00 0.00 C ATOM 1392 C GLU A 92 10.320 8.413 -4.085 1.00 0.00 C ATOM 1393 O GLU A 92 10.390 8.473 -2.857 1.00 0.00 O ATOM 1394 CB GLU A 92 10.396 10.655 -5.204 1.00 0.00 C ATOM 1395 CG GLU A 92 9.080 10.469 -5.941 1.00 0.00 C ATOM 1396 CD GLU A 92 9.201 10.743 -7.428 1.00 0.00 C ATOM 1397 OE1 GLU A 92 10.336 10.705 -7.947 1.00 0.00 O ATOM 1398 OE2 GLU A 92 8.162 10.995 -8.071 1.00 0.00 O ATOM 0 H GLU A 92 11.067 9.134 -7.039 1.00 0.00 H new ATOM 0 HA GLU A 92 12.080 9.570 -4.422 1.00 0.00 H new ATOM 0 HB2 GLU A 92 10.201 11.139 -4.247 1.00 0.00 H new ATOM 0 HB3 GLU A 92 11.031 11.329 -5.778 1.00 0.00 H new ATOM 0 HG2 GLU A 92 8.725 9.450 -5.791 1.00 0.00 H new ATOM 0 HG3 GLU A 92 8.330 11.134 -5.512 1.00 0.00 H new ATOM 1405 N ASN A 93 9.532 7.548 -4.719 1.00 0.00 N ATOM 1406 CA ASN A 93 8.697 6.613 -3.975 1.00 0.00 C ATOM 1407 C ASN A 93 9.539 5.498 -3.369 1.00 0.00 C ATOM 1408 O ASN A 93 9.270 5.049 -2.255 1.00 0.00 O ATOM 1409 CB ASN A 93 7.591 6.038 -4.857 1.00 0.00 C ATOM 1410 CG ASN A 93 6.274 6.767 -4.662 1.00 0.00 C ATOM 1411 OD1 ASN A 93 5.883 7.069 -3.534 1.00 0.00 O ATOM 1412 ND2 ASN A 93 5.582 7.056 -5.757 1.00 0.00 N ATOM 0 H ASN A 93 9.455 7.476 -5.734 1.00 0.00 H new ATOM 0 HA ASN A 93 8.224 7.164 -3.162 1.00 0.00 H new ATOM 0 HB2 ASN A 93 7.890 6.103 -5.903 1.00 0.00 H new ATOM 0 HB3 ASN A 93 7.458 4.981 -4.629 1.00 0.00 H new ATOM 0 HD21 ASN A 93 4.691 7.546 -5.682 1.00 0.00 H new ATOM 0 HD22 ASN A 93 5.942 6.788 -6.673 1.00 0.00 H new ATOM 1419 N ILE A 94 10.572 5.066 -4.087 1.00 0.00 N ATOM 1420 CA ILE A 94 11.448 4.020 -3.579 1.00 0.00 C ATOM 1421 C ILE A 94 12.117 4.486 -2.295 1.00 0.00 C ATOM 1422 O ILE A 94 12.353 3.698 -1.380 1.00 0.00 O ATOM 1423 CB ILE A 94 12.532 3.616 -4.601 1.00 0.00 C ATOM 1424 CG1 ILE A 94 11.932 3.473 -6.005 1.00 0.00 C ATOM 1425 CG2 ILE A 94 13.208 2.320 -4.169 1.00 0.00 C ATOM 1426 CD1 ILE A 94 10.616 2.722 -6.041 1.00 0.00 C ATOM 0 H ILE A 94 10.819 5.420 -5.011 1.00 0.00 H new ATOM 0 HA ILE A 94 10.828 3.144 -3.388 1.00 0.00 H new ATOM 0 HB ILE A 94 13.284 4.405 -4.636 1.00 0.00 H new ATOM 0 HG12 ILE A 94 11.783 4.467 -6.428 1.00 0.00 H new ATOM 0 HG13 ILE A 94 12.649 2.959 -6.645 1.00 0.00 H new ATOM 0 HG21 ILE A 94 13.970 2.046 -4.899 1.00 0.00 H new ATOM 0 HG22 ILE A 94 13.673 2.460 -3.193 1.00 0.00 H new ATOM 0 HG23 ILE A 94 12.465 1.525 -4.106 1.00 0.00 H new ATOM 0 HD11 ILE A 94 10.258 2.664 -7.069 1.00 0.00 H new ATOM 0 HD12 ILE A 94 10.761 1.715 -5.650 1.00 0.00 H new ATOM 0 HD13 ILE A 94 9.881 3.246 -5.430 1.00 0.00 H new ATOM 1438 N ASP A 95 12.400 5.785 -2.228 1.00 0.00 N ATOM 1439 CA ASP A 95 13.018 6.369 -1.047 1.00 0.00 C ATOM 1440 C ASP A 95 12.026 6.375 0.111 1.00 0.00 C ATOM 1441 O ASP A 95 12.410 6.241 1.274 1.00 0.00 O ATOM 1442 CB ASP A 95 13.496 7.794 -1.342 1.00 0.00 C ATOM 1443 CG ASP A 95 15.000 7.874 -1.515 1.00 0.00 C ATOM 1444 OD1 ASP A 95 15.711 7.976 -0.493 1.00 0.00 O ATOM 1445 OD2 ASP A 95 15.467 7.835 -2.672 1.00 0.00 O ATOM 0 H ASP A 95 12.210 6.450 -2.978 1.00 0.00 H new ATOM 0 HA ASP A 95 13.882 5.765 -0.770 1.00 0.00 H new ATOM 0 HB2 ASP A 95 13.009 8.158 -2.247 1.00 0.00 H new ATOM 0 HB3 ASP A 95 13.191 8.453 -0.529 1.00 0.00 H new ATOM 1450 N ARG A 96 10.743 6.523 -0.219 1.00 0.00 N ATOM 1451 CA ARG A 96 9.692 6.537 0.792 1.00 0.00 C ATOM 1452 C ARG A 96 9.602 5.184 1.491 1.00 0.00 C ATOM 1453 O ARG A 96 9.440 5.116 2.709 1.00 0.00 O ATOM 1454 CB ARG A 96 8.343 6.893 0.160 1.00 0.00 C ATOM 1455 CG ARG A 96 8.190 8.372 -0.159 1.00 0.00 C ATOM 1456 CD ARG A 96 6.985 8.622 -1.053 1.00 0.00 C ATOM 1457 NE ARG A 96 6.608 10.030 -1.101 1.00 0.00 N ATOM 1458 CZ ARG A 96 7.361 10.984 -1.648 1.00 0.00 C ATOM 1459 NH1 ARG A 96 8.519 10.680 -2.222 1.00 0.00 N ATOM 1460 NH2 ARG A 96 6.949 12.243 -1.634 1.00 0.00 N ATOM 0 H ARG A 96 10.409 6.634 -1.176 1.00 0.00 H new ATOM 0 HA ARG A 96 9.943 7.296 1.533 1.00 0.00 H new ATOM 0 HB2 ARG A 96 8.218 6.318 -0.757 1.00 0.00 H new ATOM 0 HB3 ARG A 96 7.544 6.592 0.837 1.00 0.00 H new ATOM 0 HG2 ARG A 96 8.082 8.937 0.767 1.00 0.00 H new ATOM 0 HG3 ARG A 96 9.092 8.736 -0.651 1.00 0.00 H new ATOM 0 HD2 ARG A 96 7.207 8.274 -2.062 1.00 0.00 H new ATOM 0 HD3 ARG A 96 6.141 8.035 -0.692 1.00 0.00 H new ATOM 0 HE ARG A 96 5.714 10.301 -0.691 1.00 0.00 H new ATOM 0 HH11 ARG A 96 8.837 9.711 -2.246 1.00 0.00 H new ATOM 0 HH12 ARG A 96 9.090 11.415 -2.639 1.00 0.00 H new ATOM 0 HH21 ARG A 96 6.055 12.482 -1.205 1.00 0.00 H new ATOM 0 HH22 ARG A 96 7.525 12.973 -2.053 1.00 0.00 H new ATOM 1474 N LEU A 97 9.722 4.106 0.717 1.00 0.00 N ATOM 1475 CA LEU A 97 9.668 2.761 1.277 1.00 0.00 C ATOM 1476 C LEU A 97 10.794 2.580 2.285 1.00 0.00 C ATOM 1477 O LEU A 97 10.576 2.104 3.397 1.00 0.00 O ATOM 1478 CB LEU A 97 9.778 1.703 0.171 1.00 0.00 C ATOM 1479 CG LEU A 97 8.514 1.480 -0.671 1.00 0.00 C ATOM 1480 CD1 LEU A 97 7.257 1.586 0.182 1.00 0.00 C ATOM 1481 CD2 LEU A 97 8.462 2.468 -1.827 1.00 0.00 C ATOM 0 H LEU A 97 9.856 4.139 -0.294 1.00 0.00 H new ATOM 0 HA LEU A 97 8.708 2.632 1.778 1.00 0.00 H new ATOM 0 HB2 LEU A 97 10.591 1.987 -0.497 1.00 0.00 H new ATOM 0 HB3 LEU A 97 10.058 0.754 0.629 1.00 0.00 H new ATOM 0 HG LEU A 97 8.556 0.470 -1.079 1.00 0.00 H new ATOM 0 HD11 LEU A 97 6.379 1.423 -0.443 1.00 0.00 H new ATOM 0 HD12 LEU A 97 7.287 0.833 0.969 1.00 0.00 H new ATOM 0 HD13 LEU A 97 7.204 2.578 0.631 1.00 0.00 H new ATOM 0 HD21 LEU A 97 7.559 2.295 -2.413 1.00 0.00 H new ATOM 0 HD22 LEU A 97 8.451 3.485 -1.436 1.00 0.00 H new ATOM 0 HD23 LEU A 97 9.338 2.332 -2.461 1.00 0.00 H new ATOM 1493 N CYS A 98 11.995 2.983 1.887 1.00 0.00 N ATOM 1494 CA CYS A 98 13.163 2.888 2.750 1.00 0.00 C ATOM 1495 C CYS A 98 13.024 3.828 3.939 1.00 0.00 C ATOM 1496 O CYS A 98 13.564 3.571 5.015 1.00 0.00 O ATOM 1497 CB CYS A 98 14.427 3.224 1.958 1.00 0.00 C ATOM 1498 SG CYS A 98 15.948 2.559 2.676 1.00 0.00 S ATOM 0 H CYS A 98 12.184 3.380 0.967 1.00 0.00 H new ATOM 0 HA CYS A 98 13.239 1.867 3.123 1.00 0.00 H new ATOM 0 HB2 CYS A 98 14.319 2.841 0.943 1.00 0.00 H new ATOM 0 HB3 CYS A 98 14.518 4.308 1.882 1.00 0.00 H new ATOM 0 HG CYS A 98 16.961 2.895 1.934 1.00 0.00 H new ATOM 1504 N GLN A 99 12.291 4.918 3.740 1.00 0.00 N ATOM 1505 CA GLN A 99 12.075 5.895 4.797 1.00 0.00 C ATOM 1506 C GLN A 99 11.091 5.362 5.832 1.00 0.00 C ATOM 1507 O GLN A 99 11.336 5.450 7.035 1.00 0.00 O ATOM 1508 CB GLN A 99 11.556 7.210 4.207 1.00 0.00 C ATOM 1509 CG GLN A 99 12.606 8.306 4.147 1.00 0.00 C ATOM 1510 CD GLN A 99 13.174 8.644 5.513 1.00 0.00 C ATOM 1511 OE1 GLN A 99 14.289 8.014 5.862 1.00 0.00 O flip ATOM 1512 NE2 GLN A 99 12.616 9.462 6.245 1.00 0.00 N flip ATOM 0 H GLN A 99 11.837 5.146 2.856 1.00 0.00 H new ATOM 0 HA GLN A 99 13.029 6.080 5.290 1.00 0.00 H new ATOM 0 HB2 GLN A 99 11.180 7.024 3.201 1.00 0.00 H new ATOM 0 HB3 GLN A 99 10.713 7.558 4.804 1.00 0.00 H new ATOM 0 HG2 GLN A 99 13.416 7.993 3.488 1.00 0.00 H new ATOM 0 HG3 GLN A 99 12.166 9.202 3.708 1.00 0.00 H new ATOM 0 HE21 GLN A 99 11.760 9.923 5.936 1.00 0.00 H new ATOM 0 HE22 GLN A 99 13.010 9.679 7.161 1.00 0.00 H new ATOM 1521 N ASP A 100 9.976 4.812 5.359 1.00 0.00 N ATOM 1522 CA ASP A 100 8.957 4.271 6.250 1.00 0.00 C ATOM 1523 C ASP A 100 9.347 2.887 6.765 1.00 0.00 C ATOM 1524 O ASP A 100 9.056 2.538 7.909 1.00 0.00 O ATOM 1525 CB ASP A 100 7.610 4.206 5.529 1.00 0.00 C ATOM 1526 CG ASP A 100 7.590 3.174 4.419 1.00 0.00 C ATOM 1527 OD1 ASP A 100 7.708 1.970 4.726 1.00 0.00 O ATOM 1528 OD2 ASP A 100 7.454 3.573 3.245 1.00 0.00 O ATOM 0 H ASP A 100 9.757 4.730 4.366 1.00 0.00 H new ATOM 0 HA ASP A 100 8.872 4.936 7.109 1.00 0.00 H new ATOM 0 HB2 ASP A 100 6.827 3.973 6.251 1.00 0.00 H new ATOM 0 HB3 ASP A 100 7.378 5.186 5.113 1.00 0.00 H new ATOM 1533 N LEU A 101 10.005 2.101 5.917 1.00 0.00 N ATOM 1534 CA LEU A 101 10.425 0.758 6.300 1.00 0.00 C ATOM 1535 C LEU A 101 11.398 0.808 7.473 1.00 0.00 C ATOM 1536 O LEU A 101 11.405 -0.082 8.323 1.00 0.00 O ATOM 1537 CB LEU A 101 11.070 0.031 5.117 1.00 0.00 C ATOM 1538 CG LEU A 101 10.085 -0.582 4.114 1.00 0.00 C ATOM 1539 CD1 LEU A 101 10.826 -1.208 2.938 1.00 0.00 C ATOM 1540 CD2 LEU A 101 9.201 -1.616 4.801 1.00 0.00 C ATOM 0 H LEU A 101 10.257 2.369 4.966 1.00 0.00 H new ATOM 0 HA LEU A 101 9.536 0.206 6.607 1.00 0.00 H new ATOM 0 HB2 LEU A 101 11.714 0.733 4.587 1.00 0.00 H new ATOM 0 HB3 LEU A 101 11.711 -0.761 5.503 1.00 0.00 H new ATOM 0 HG LEU A 101 9.450 0.216 3.728 1.00 0.00 H new ATOM 0 HD11 LEU A 101 10.106 -1.636 2.241 1.00 0.00 H new ATOM 0 HD12 LEU A 101 11.413 -0.443 2.430 1.00 0.00 H new ATOM 0 HD13 LEU A 101 11.489 -1.993 3.302 1.00 0.00 H new ATOM 0 HD21 LEU A 101 8.508 -2.042 4.076 1.00 0.00 H new ATOM 0 HD22 LEU A 101 9.823 -2.409 5.216 1.00 0.00 H new ATOM 0 HD23 LEU A 101 8.639 -1.138 5.603 1.00 0.00 H new ATOM 1552 N ARG A 102 12.214 1.856 7.518 1.00 0.00 N ATOM 1553 CA ARG A 102 13.185 2.019 8.594 1.00 0.00 C ATOM 1554 C ARG A 102 12.522 2.620 9.828 1.00 0.00 C ATOM 1555 O ARG A 102 12.878 2.293 10.960 1.00 0.00 O ATOM 1556 CB ARG A 102 14.345 2.909 8.135 1.00 0.00 C ATOM 1557 CG ARG A 102 15.696 2.217 8.179 1.00 0.00 C ATOM 1558 CD ARG A 102 16.395 2.445 9.510 1.00 0.00 C ATOM 1559 NE ARG A 102 16.976 3.783 9.600 1.00 0.00 N ATOM 1560 CZ ARG A 102 17.314 4.369 10.747 1.00 0.00 C ATOM 1561 NH1 ARG A 102 17.132 3.739 11.901 1.00 0.00 N ATOM 1562 NH2 ARG A 102 17.836 5.588 10.739 1.00 0.00 N ATOM 0 H ARG A 102 12.222 2.603 6.824 1.00 0.00 H new ATOM 0 HA ARG A 102 13.577 1.035 8.853 1.00 0.00 H new ATOM 0 HB2 ARG A 102 14.152 3.247 7.117 1.00 0.00 H new ATOM 0 HB3 ARG A 102 14.381 3.798 8.764 1.00 0.00 H new ATOM 0 HG2 ARG A 102 15.564 1.148 8.015 1.00 0.00 H new ATOM 0 HG3 ARG A 102 16.323 2.589 7.369 1.00 0.00 H new ATOM 0 HD2 ARG A 102 15.683 2.303 10.323 1.00 0.00 H new ATOM 0 HD3 ARG A 102 17.179 1.699 9.640 1.00 0.00 H new ATOM 0 HE ARG A 102 17.132 4.298 8.734 1.00 0.00 H new ATOM 0 HH11 ARG A 102 16.731 2.801 11.912 1.00 0.00 H new ATOM 0 HH12 ARG A 102 17.393 4.193 12.776 1.00 0.00 H new ATOM 0 HH21 ARG A 102 17.978 6.076 9.855 1.00 0.00 H new ATOM 0 HH22 ARG A 102 18.095 6.038 11.617 1.00 0.00 H new ATOM 1576 N ASN A 103 11.551 3.499 9.598 1.00 0.00 N ATOM 1577 CA ASN A 103 10.829 4.145 10.688 1.00 0.00 C ATOM 1578 C ASN A 103 10.015 3.131 11.485 1.00 0.00 C ATOM 1579 O ASN A 103 9.663 3.375 12.639 1.00 0.00 O ATOM 1580 CB ASN A 103 9.903 5.231 10.139 1.00 0.00 C ATOM 1581 CG ASN A 103 10.663 6.388 9.525 1.00 0.00 C ATOM 1582 OD1 ASN A 103 11.790 6.688 9.922 1.00 0.00 O ATOM 1583 ND2 ASN A 103 10.049 7.047 8.549 1.00 0.00 N ATOM 0 H ASN A 103 11.246 3.780 8.666 1.00 0.00 H new ATOM 0 HA ASN A 103 11.563 4.598 11.354 1.00 0.00 H new ATOM 0 HB2 ASN A 103 9.243 4.796 9.389 1.00 0.00 H new ATOM 0 HB3 ASN A 103 9.269 5.604 10.944 1.00 0.00 H new ATOM 0 HD21 ASN A 103 10.511 7.836 8.097 1.00 0.00 H new ATOM 0 HD22 ASN A 103 9.115 6.764 8.252 1.00 0.00 H new ATOM 1590 N GLN A 104 9.711 1.994 10.862 1.00 0.00 N ATOM 1591 CA GLN A 104 8.930 0.955 11.518 1.00 0.00 C ATOM 1592 C GLN A 104 7.556 1.491 11.902 1.00 0.00 C ATOM 1593 O GLN A 104 7.016 1.153 12.955 1.00 0.00 O ATOM 1594 CB GLN A 104 9.660 0.441 12.761 1.00 0.00 C ATOM 1595 CG GLN A 104 10.969 -0.266 12.448 1.00 0.00 C ATOM 1596 CD GLN A 104 10.848 -1.775 12.525 1.00 0.00 C ATOM 1597 OE1 GLN A 104 11.639 -2.438 13.197 1.00 0.00 O ATOM 1598 NE2 GLN A 104 9.857 -2.326 11.834 1.00 0.00 N ATOM 0 H GLN A 104 9.994 1.772 9.907 1.00 0.00 H new ATOM 0 HA GLN A 104 8.803 0.127 10.821 1.00 0.00 H new ATOM 0 HB2 GLN A 104 9.860 1.280 13.428 1.00 0.00 H new ATOM 0 HB3 GLN A 104 9.006 -0.245 13.299 1.00 0.00 H new ATOM 0 HG2 GLN A 104 11.302 0.018 11.450 1.00 0.00 H new ATOM 0 HG3 GLN A 104 11.735 0.070 13.147 1.00 0.00 H new ATOM 0 HE21 GLN A 104 9.225 -1.738 11.291 1.00 0.00 H new ATOM 0 HE22 GLN A 104 9.728 -3.338 11.846 1.00 0.00 H new ATOM 1607 N LEU A 105 7.002 2.335 11.039 1.00 0.00 N ATOM 1608 CA LEU A 105 5.696 2.932 11.279 1.00 0.00 C ATOM 1609 C LEU A 105 4.627 1.860 11.460 1.00 0.00 C ATOM 1610 O LEU A 105 3.830 1.921 12.391 1.00 0.00 O ATOM 1611 CB LEU A 105 5.318 3.860 10.118 1.00 0.00 C ATOM 1612 CG LEU A 105 6.307 4.995 9.850 1.00 0.00 C ATOM 1613 CD1 LEU A 105 6.159 5.508 8.426 1.00 0.00 C ATOM 1614 CD2 LEU A 105 6.108 6.124 10.850 1.00 0.00 C ATOM 0 H LEU A 105 7.440 2.621 10.164 1.00 0.00 H new ATOM 0 HA LEU A 105 5.754 3.514 12.199 1.00 0.00 H new ATOM 0 HB2 LEU A 105 5.220 3.262 9.212 1.00 0.00 H new ATOM 0 HB3 LEU A 105 4.338 4.292 10.322 1.00 0.00 H new ATOM 0 HG LEU A 105 7.318 4.605 9.970 1.00 0.00 H new ATOM 0 HD11 LEU A 105 6.871 6.315 8.254 1.00 0.00 H new ATOM 0 HD12 LEU A 105 6.354 4.697 7.725 1.00 0.00 H new ATOM 0 HD13 LEU A 105 5.145 5.880 8.277 1.00 0.00 H new ATOM 0 HD21 LEU A 105 6.821 6.923 10.644 1.00 0.00 H new ATOM 0 HD22 LEU A 105 5.093 6.512 10.764 1.00 0.00 H new ATOM 0 HD23 LEU A 105 6.268 5.747 11.860 1.00 0.00 H new ATOM 1626 N TYR A 106 4.610 0.882 10.563 1.00 0.00 N ATOM 1627 CA TYR A 106 3.625 -0.192 10.628 1.00 0.00 C ATOM 1628 C TYR A 106 4.294 -1.565 10.577 1.00 0.00 C ATOM 1629 O TYR A 106 5.445 -1.692 10.159 1.00 0.00 O ATOM 1630 CB TYR A 106 2.621 -0.040 9.486 1.00 0.00 C ATOM 1631 CG TYR A 106 2.226 1.401 9.235 1.00 0.00 C ATOM 1632 CD1 TYR A 106 3.100 2.278 8.607 1.00 0.00 C ATOM 1633 CD2 TYR A 106 0.989 1.886 9.639 1.00 0.00 C ATOM 1634 CE1 TYR A 106 2.754 3.596 8.385 1.00 0.00 C ATOM 1635 CE2 TYR A 106 0.635 3.206 9.422 1.00 0.00 C ATOM 1636 CZ TYR A 106 1.522 4.056 8.793 1.00 0.00 C ATOM 1637 OH TYR A 106 1.175 5.371 8.573 1.00 0.00 O ATOM 0 H TYR A 106 5.265 0.810 9.784 1.00 0.00 H new ATOM 0 HA TYR A 106 3.099 -0.120 11.580 1.00 0.00 H new ATOM 0 HB2 TYR A 106 3.049 -0.458 8.575 1.00 0.00 H new ATOM 0 HB3 TYR A 106 1.728 -0.622 9.715 1.00 0.00 H new ATOM 0 HD1 TYR A 106 4.068 1.923 8.286 1.00 0.00 H new ATOM 0 HD2 TYR A 106 0.292 1.223 10.130 1.00 0.00 H new ATOM 0 HE1 TYR A 106 3.447 4.263 7.894 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -0.330 3.569 9.743 1.00 0.00 H new ATOM 0 HH TYR A 106 1.355 5.896 9.381 1.00 0.00 H new ATOM 1647 N GLU A 107 3.567 -2.590 11.022 1.00 0.00 N ATOM 1648 CA GLU A 107 4.091 -3.955 11.043 1.00 0.00 C ATOM 1649 C GLU A 107 4.267 -4.513 9.635 1.00 0.00 C ATOM 1650 O GLU A 107 5.318 -5.062 9.302 1.00 0.00 O ATOM 1651 CB GLU A 107 3.159 -4.870 11.838 1.00 0.00 C ATOM 1652 CG GLU A 107 3.885 -5.973 12.592 1.00 0.00 C ATOM 1653 CD GLU A 107 3.879 -5.760 14.093 1.00 0.00 C ATOM 1654 OE1 GLU A 107 2.838 -6.033 14.727 1.00 0.00 O ATOM 1655 OE2 GLU A 107 4.914 -5.318 14.634 1.00 0.00 O ATOM 0 H GLU A 107 2.613 -2.501 11.373 1.00 0.00 H new ATOM 0 HA GLU A 107 5.069 -3.920 11.523 1.00 0.00 H new ATOM 0 HB2 GLU A 107 2.592 -4.268 12.548 1.00 0.00 H new ATOM 0 HB3 GLU A 107 2.438 -5.321 11.156 1.00 0.00 H new ATOM 0 HG2 GLU A 107 3.418 -6.931 12.364 1.00 0.00 H new ATOM 0 HG3 GLU A 107 4.916 -6.029 12.242 1.00 0.00 H new ATOM 1662 N SER A 108 3.232 -4.378 8.815 1.00 0.00 N ATOM 1663 CA SER A 108 3.273 -4.879 7.447 1.00 0.00 C ATOM 1664 C SER A 108 3.470 -3.740 6.456 1.00 0.00 C ATOM 1665 O SER A 108 3.445 -2.568 6.830 1.00 0.00 O ATOM 1666 CB SER A 108 1.987 -5.639 7.120 1.00 0.00 C ATOM 1667 OG SER A 108 1.776 -6.703 8.032 1.00 0.00 O ATOM 0 H SER A 108 2.355 -3.926 9.073 1.00 0.00 H new ATOM 0 HA SER A 108 4.120 -5.560 7.362 1.00 0.00 H new ATOM 0 HB2 SER A 108 1.139 -4.955 7.152 1.00 0.00 H new ATOM 0 HB3 SER A 108 2.041 -6.032 6.105 1.00 0.00 H new ATOM 0 HG SER A 108 1.288 -7.426 7.584 1.00 0.00 H new ATOM 1673 N TYR A 109 3.672 -4.092 5.192 1.00 0.00 N ATOM 1674 CA TYR A 109 3.878 -3.096 4.150 1.00 0.00 C ATOM 1675 C TYR A 109 3.396 -3.604 2.793 1.00 0.00 C ATOM 1676 O TYR A 109 4.183 -3.737 1.855 1.00 0.00 O ATOM 1677 CB TYR A 109 5.357 -2.716 4.073 1.00 0.00 C ATOM 1678 CG TYR A 109 5.840 -1.913 5.259 1.00 0.00 C ATOM 1679 CD1 TYR A 109 6.317 -2.544 6.400 1.00 0.00 C ATOM 1680 CD2 TYR A 109 5.820 -0.524 5.238 1.00 0.00 C ATOM 1681 CE1 TYR A 109 6.760 -1.815 7.487 1.00 0.00 C ATOM 1682 CE2 TYR A 109 6.262 0.213 6.320 1.00 0.00 C ATOM 1683 CZ TYR A 109 6.731 -0.437 7.442 1.00 0.00 C ATOM 1684 OH TYR A 109 7.172 0.293 8.522 1.00 0.00 O ATOM 0 H TYR A 109 3.697 -5.058 4.865 1.00 0.00 H new ATOM 0 HA TYR A 109 3.292 -2.214 4.407 1.00 0.00 H new ATOM 0 HB2 TYR A 109 5.953 -3.625 3.994 1.00 0.00 H new ATOM 0 HB3 TYR A 109 5.529 -2.142 3.162 1.00 0.00 H new ATOM 0 HD1 TYR A 109 6.342 -3.623 6.439 1.00 0.00 H new ATOM 0 HD2 TYR A 109 5.453 -0.012 4.361 1.00 0.00 H new ATOM 0 HE1 TYR A 109 7.127 -2.322 8.367 1.00 0.00 H new ATOM 0 HE2 TYR A 109 6.240 1.292 6.287 1.00 0.00 H new ATOM 0 HH TYR A 109 7.792 0.987 8.216 1.00 0.00 H new ATOM 1694 N TYR A 110 2.098 -3.875 2.691 1.00 0.00 N ATOM 1695 CA TYR A 110 1.510 -4.352 1.442 1.00 0.00 C ATOM 1696 C TYR A 110 1.750 -3.333 0.334 1.00 0.00 C ATOM 1697 O TYR A 110 0.928 -2.447 0.106 1.00 0.00 O ATOM 1698 CB TYR A 110 0.006 -4.585 1.627 1.00 0.00 C ATOM 1699 CG TYR A 110 -0.644 -5.385 0.516 1.00 0.00 C ATOM 1700 CD1 TYR A 110 -0.583 -4.963 -0.809 1.00 0.00 C ATOM 1701 CD2 TYR A 110 -1.330 -6.561 0.795 1.00 0.00 C ATOM 1702 CE1 TYR A 110 -1.183 -5.690 -1.819 1.00 0.00 C ATOM 1703 CE2 TYR A 110 -1.933 -7.294 -0.210 1.00 0.00 C ATOM 1704 CZ TYR A 110 -1.857 -6.854 -1.515 1.00 0.00 C ATOM 1705 OH TYR A 110 -2.455 -7.580 -2.519 1.00 0.00 O ATOM 0 H TYR A 110 1.433 -3.773 3.458 1.00 0.00 H new ATOM 0 HA TYR A 110 1.981 -5.295 1.164 1.00 0.00 H new ATOM 0 HB2 TYR A 110 -0.156 -5.102 2.573 1.00 0.00 H new ATOM 0 HB3 TYR A 110 -0.493 -3.619 1.702 1.00 0.00 H new ATOM 0 HD1 TYR A 110 -0.057 -4.051 -1.052 1.00 0.00 H new ATOM 0 HD2 TYR A 110 -1.393 -6.909 1.816 1.00 0.00 H new ATOM 0 HE1 TYR A 110 -1.124 -5.348 -2.842 1.00 0.00 H new ATOM 0 HE2 TYR A 110 -2.461 -8.206 0.025 1.00 0.00 H new ATOM 0 HH TYR A 110 -2.887 -8.373 -2.137 1.00 0.00 H new ATOM 1715 N LEU A 111 2.886 -3.450 -0.345 1.00 0.00 N ATOM 1716 CA LEU A 111 3.229 -2.521 -1.413 1.00 0.00 C ATOM 1717 C LEU A 111 2.463 -2.835 -2.692 1.00 0.00 C ATOM 1718 O LEU A 111 2.118 -3.986 -2.962 1.00 0.00 O ATOM 1719 CB LEU A 111 4.736 -2.544 -1.688 1.00 0.00 C ATOM 1720 CG LEU A 111 5.629 -2.561 -0.446 1.00 0.00 C ATOM 1721 CD1 LEU A 111 7.094 -2.421 -0.838 1.00 0.00 C ATOM 1722 CD2 LEU A 111 5.232 -1.455 0.514 1.00 0.00 C ATOM 0 H LEU A 111 3.582 -4.176 -0.175 1.00 0.00 H new ATOM 0 HA LEU A 111 2.944 -1.523 -1.081 1.00 0.00 H new ATOM 0 HB2 LEU A 111 4.965 -3.422 -2.291 1.00 0.00 H new ATOM 0 HB3 LEU A 111 4.992 -1.670 -2.287 1.00 0.00 H new ATOM 0 HG LEU A 111 5.495 -3.519 0.057 1.00 0.00 H new ATOM 0 HD11 LEU A 111 7.714 -2.435 0.059 1.00 0.00 H new ATOM 0 HD12 LEU A 111 7.377 -3.249 -1.488 1.00 0.00 H new ATOM 0 HD13 LEU A 111 7.241 -1.479 -1.366 1.00 0.00 H new ATOM 0 HD21 LEU A 111 5.879 -1.484 1.391 1.00 0.00 H new ATOM 0 HD22 LEU A 111 5.335 -0.489 0.019 1.00 0.00 H new ATOM 0 HD23 LEU A 111 4.196 -1.596 0.823 1.00 0.00 H new ATOM 1734 N ASN A 112 2.211 -1.797 -3.478 1.00 0.00 N ATOM 1735 CA ASN A 112 1.495 -1.933 -4.741 1.00 0.00 C ATOM 1736 C ASN A 112 1.946 -0.856 -5.714 1.00 0.00 C ATOM 1737 O ASN A 112 1.668 0.327 -5.519 1.00 0.00 O ATOM 1738 CB ASN A 112 -0.016 -1.840 -4.514 1.00 0.00 C ATOM 1739 CG ASN A 112 -0.788 -2.834 -5.359 1.00 0.00 C ATOM 1740 OD1 ASN A 112 -1.369 -3.788 -4.840 1.00 0.00 O ATOM 1741 ND2 ASN A 112 -0.797 -2.615 -6.668 1.00 0.00 N ATOM 0 H ASN A 112 2.495 -0.842 -3.261 1.00 0.00 H new ATOM 0 HA ASN A 112 1.721 -2.911 -5.165 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -0.234 -2.016 -3.461 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -0.354 -0.830 -4.746 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -1.299 -3.250 -7.288 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -0.301 -1.811 -7.054 1.00 0.00 H new ATOM 1748 N PHE A 113 2.660 -1.268 -6.755 1.00 0.00 N ATOM 1749 CA PHE A 113 3.166 -0.331 -7.746 1.00 0.00 C ATOM 1750 C PHE A 113 2.151 -0.078 -8.854 1.00 0.00 C ATOM 1751 O PHE A 113 1.526 -1.004 -9.370 1.00 0.00 O ATOM 1752 CB PHE A 113 4.486 -0.841 -8.323 1.00 0.00 C ATOM 1753 CG PHE A 113 5.607 -0.839 -7.318 1.00 0.00 C ATOM 1754 CD1 PHE A 113 5.751 0.213 -6.424 1.00 0.00 C ATOM 1755 CD2 PHE A 113 6.513 -1.886 -7.264 1.00 0.00 C ATOM 1756 CE1 PHE A 113 6.776 0.219 -5.497 1.00 0.00 C ATOM 1757 CE2 PHE A 113 7.541 -1.884 -6.338 1.00 0.00 C ATOM 1758 CZ PHE A 113 7.672 -0.829 -5.455 1.00 0.00 C ATOM 0 H PHE A 113 2.900 -2.243 -6.933 1.00 0.00 H new ATOM 0 HA PHE A 113 3.342 0.623 -7.249 1.00 0.00 H new ATOM 0 HB2 PHE A 113 4.344 -1.854 -8.699 1.00 0.00 H new ATOM 0 HB3 PHE A 113 4.768 -0.221 -9.174 1.00 0.00 H new ATOM 0 HD1 PHE A 113 5.053 1.037 -6.453 1.00 0.00 H new ATOM 0 HD2 PHE A 113 6.416 -2.713 -7.952 1.00 0.00 H new ATOM 0 HE1 PHE A 113 6.875 1.043 -4.806 1.00 0.00 H new ATOM 0 HE2 PHE A 113 8.240 -2.706 -6.305 1.00 0.00 H new ATOM 0 HZ PHE A 113 8.475 -0.825 -4.733 1.00 0.00 H new ATOM 1768 N ILE A 114 1.992 1.195 -9.204 1.00 0.00 N ATOM 1769 CA ILE A 114 1.049 1.597 -10.250 1.00 0.00 C ATOM 1770 C ILE A 114 1.629 1.351 -11.643 1.00 0.00 C ATOM 1771 O ILE A 114 0.898 1.056 -12.587 1.00 0.00 O ATOM 1772 CB ILE A 114 0.640 3.096 -10.154 1.00 0.00 C ATOM 1773 CG1 ILE A 114 0.998 3.707 -8.793 1.00 0.00 C ATOM 1774 CG2 ILE A 114 -0.849 3.262 -10.430 1.00 0.00 C ATOM 1775 CD1 ILE A 114 0.088 3.278 -7.666 1.00 0.00 C ATOM 0 H ILE A 114 2.503 1.969 -8.780 1.00 0.00 H new ATOM 0 HA ILE A 114 0.163 0.982 -10.092 1.00 0.00 H new ATOM 0 HB ILE A 114 1.208 3.633 -10.914 1.00 0.00 H new ATOM 0 HG12 ILE A 114 2.023 3.434 -8.542 1.00 0.00 H new ATOM 0 HG13 ILE A 114 0.969 4.793 -8.876 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -1.117 4.316 -10.359 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -1.076 2.897 -11.432 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -1.421 2.692 -9.698 1.00 0.00 H new ATOM 0 HD11 ILE A 114 0.408 3.753 -6.739 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -0.936 3.576 -7.892 1.00 0.00 H new ATOM 0 HD13 ILE A 114 0.134 2.195 -7.553 1.00 0.00 H new ATOM 1787 N SER A 115 2.944 1.486 -11.770 1.00 0.00 N ATOM 1788 CA SER A 115 3.610 1.293 -13.053 1.00 0.00 C ATOM 1789 C SER A 115 4.500 0.054 -13.040 1.00 0.00 C ATOM 1790 O SER A 115 4.534 -0.692 -12.060 1.00 0.00 O ATOM 1791 CB SER A 115 4.440 2.529 -13.403 1.00 0.00 C ATOM 1792 OG SER A 115 4.605 2.653 -14.805 1.00 0.00 O ATOM 0 H SER A 115 3.570 1.728 -11.002 1.00 0.00 H new ATOM 0 HA SER A 115 2.841 1.145 -13.811 1.00 0.00 H new ATOM 0 HB2 SER A 115 3.952 3.421 -13.011 1.00 0.00 H new ATOM 0 HB3 SER A 115 5.417 2.463 -12.923 1.00 0.00 H new ATOM 0 HG SER A 115 5.138 3.452 -15.002 1.00 0.00 H new ATOM 1798 N ALA A 116 5.216 -0.160 -14.141 1.00 0.00 N ATOM 1799 CA ALA A 116 6.106 -1.309 -14.270 1.00 0.00 C ATOM 1800 C ALA A 116 7.489 -1.010 -13.703 1.00 0.00 C ATOM 1801 O ALA A 116 8.367 -0.519 -14.412 1.00 0.00 O ATOM 1802 CB ALA A 116 6.218 -1.725 -15.730 1.00 0.00 C ATOM 0 H ALA A 116 5.196 0.450 -14.959 1.00 0.00 H new ATOM 0 HA ALA A 116 5.678 -2.129 -13.694 1.00 0.00 H new ATOM 0 HB1 ALA A 116 6.885 -2.583 -15.814 1.00 0.00 H new ATOM 0 HB2 ALA A 116 5.232 -1.993 -16.109 1.00 0.00 H new ATOM 0 HB3 ALA A 116 6.618 -0.897 -16.315 1.00 0.00 H new ATOM 1808 N ILE A 117 7.682 -1.318 -12.426 1.00 0.00 N ATOM 1809 CA ILE A 117 8.968 -1.090 -11.776 1.00 0.00 C ATOM 1810 C ILE A 117 10.018 -2.068 -12.301 1.00 0.00 C ATOM 1811 O ILE A 117 9.680 -3.100 -12.881 1.00 0.00 O ATOM 1812 CB ILE A 117 8.859 -1.228 -10.244 1.00 0.00 C ATOM 1813 CG1 ILE A 117 10.212 -0.936 -9.583 1.00 0.00 C ATOM 1814 CG2 ILE A 117 8.354 -2.613 -9.873 1.00 0.00 C ATOM 1815 CD1 ILE A 117 10.124 -0.662 -8.097 1.00 0.00 C ATOM 0 H ILE A 117 6.968 -1.725 -11.822 1.00 0.00 H new ATOM 0 HA ILE A 117 9.273 -0.070 -12.011 1.00 0.00 H new ATOM 0 HB ILE A 117 8.140 -0.497 -9.875 1.00 0.00 H new ATOM 0 HG12 ILE A 117 10.876 -1.785 -9.747 1.00 0.00 H new ATOM 0 HG13 ILE A 117 10.667 -0.076 -10.074 1.00 0.00 H new ATOM 0 HG21 ILE A 117 8.282 -2.696 -8.789 1.00 0.00 H new ATOM 0 HG22 ILE A 117 7.370 -2.772 -10.315 1.00 0.00 H new ATOM 0 HG23 ILE A 117 9.047 -3.366 -10.249 1.00 0.00 H new ATOM 0 HD11 ILE A 117 11.121 -0.465 -7.704 1.00 0.00 H new ATOM 0 HD12 ILE A 117 9.488 0.206 -7.924 1.00 0.00 H new ATOM 0 HD13 ILE A 117 9.700 -1.530 -7.592 1.00 0.00 H new ATOM 1827 N SER A 118 11.290 -1.734 -12.102 1.00 0.00 N ATOM 1828 CA SER A 118 12.384 -2.583 -12.563 1.00 0.00 C ATOM 1829 C SER A 118 13.087 -3.261 -11.392 1.00 0.00 C ATOM 1830 O SER A 118 12.965 -2.829 -10.246 1.00 0.00 O ATOM 1831 CB SER A 118 13.389 -1.758 -13.369 1.00 0.00 C ATOM 1832 OG SER A 118 13.035 -1.719 -14.741 1.00 0.00 O ATOM 0 H SER A 118 11.588 -0.883 -11.625 1.00 0.00 H new ATOM 0 HA SER A 118 11.961 -3.359 -13.202 1.00 0.00 H new ATOM 0 HB2 SER A 118 13.432 -0.744 -12.973 1.00 0.00 H new ATOM 0 HB3 SER A 118 14.386 -2.186 -13.260 1.00 0.00 H new ATOM 0 HG SER A 118 13.692 -1.184 -15.233 1.00 0.00 H new ATOM 1838 N ARG A 119 13.827 -4.325 -11.690 1.00 0.00 N ATOM 1839 CA ARG A 119 14.553 -5.068 -10.665 1.00 0.00 C ATOM 1840 C ARG A 119 15.470 -4.146 -9.866 1.00 0.00 C ATOM 1841 O ARG A 119 15.627 -4.309 -8.656 1.00 0.00 O ATOM 1842 CB ARG A 119 15.373 -6.191 -11.304 1.00 0.00 C ATOM 1843 CG ARG A 119 16.458 -5.692 -12.244 1.00 0.00 C ATOM 1844 CD ARG A 119 16.700 -6.670 -13.383 1.00 0.00 C ATOM 1845 NE ARG A 119 18.087 -6.644 -13.842 1.00 0.00 N ATOM 1846 CZ ARG A 119 19.089 -7.248 -13.208 1.00 0.00 C ATOM 1847 NH1 ARG A 119 18.863 -7.926 -12.089 1.00 0.00 N ATOM 1848 NH2 ARG A 119 20.320 -7.175 -13.694 1.00 0.00 N ATOM 0 H ARG A 119 13.940 -4.693 -12.635 1.00 0.00 H new ATOM 0 HA ARG A 119 13.822 -5.502 -9.983 1.00 0.00 H new ATOM 0 HB2 ARG A 119 15.833 -6.788 -10.516 1.00 0.00 H new ATOM 0 HB3 ARG A 119 14.703 -6.851 -11.854 1.00 0.00 H new ATOM 0 HG2 ARG A 119 16.171 -4.722 -12.650 1.00 0.00 H new ATOM 0 HG3 ARG A 119 17.383 -5.544 -11.687 1.00 0.00 H new ATOM 0 HD2 ARG A 119 16.445 -7.678 -13.055 1.00 0.00 H new ATOM 0 HD3 ARG A 119 16.038 -6.429 -14.215 1.00 0.00 H new ATOM 0 HE ARG A 119 18.300 -6.133 -14.699 1.00 0.00 H new ATOM 0 HH11 ARG A 119 17.917 -7.986 -11.711 1.00 0.00 H new ATOM 0 HH12 ARG A 119 19.635 -8.387 -11.607 1.00 0.00 H new ATOM 0 HH21 ARG A 119 20.499 -6.656 -14.554 1.00 0.00 H new ATOM 0 HH22 ARG A 119 21.088 -7.638 -13.208 1.00 0.00 H new ATOM 1862 N SER A 120 16.070 -3.176 -10.549 1.00 0.00 N ATOM 1863 CA SER A 120 16.968 -2.228 -9.901 1.00 0.00 C ATOM 1864 C SER A 120 16.248 -1.478 -8.786 1.00 0.00 C ATOM 1865 O SER A 120 16.646 -1.543 -7.622 1.00 0.00 O ATOM 1866 CB SER A 120 17.523 -1.237 -10.925 1.00 0.00 C ATOM 1867 OG SER A 120 16.633 -1.078 -12.016 1.00 0.00 O ATOM 0 H SER A 120 15.950 -3.026 -11.551 1.00 0.00 H new ATOM 0 HA SER A 120 17.796 -2.787 -9.464 1.00 0.00 H new ATOM 0 HB2 SER A 120 17.693 -0.272 -10.447 1.00 0.00 H new ATOM 0 HB3 SER A 120 18.489 -1.587 -11.288 1.00 0.00 H new ATOM 0 HG SER A 120 17.010 -0.438 -12.655 1.00 0.00 H new ATOM 1873 N LYS A 121 15.184 -0.768 -9.148 1.00 0.00 N ATOM 1874 CA LYS A 121 14.406 -0.010 -8.176 1.00 0.00 C ATOM 1875 C LYS A 121 13.683 -0.947 -7.216 1.00 0.00 C ATOM 1876 O LYS A 121 13.476 -0.619 -6.046 1.00 0.00 O ATOM 1877 CB LYS A 121 13.396 0.889 -8.890 1.00 0.00 C ATOM 1878 CG LYS A 121 14.029 1.835 -9.897 1.00 0.00 C ATOM 1879 CD LYS A 121 13.166 1.988 -11.139 1.00 0.00 C ATOM 1880 CE LYS A 121 11.813 2.594 -10.805 1.00 0.00 C ATOM 1881 NZ LYS A 121 10.856 2.481 -11.942 1.00 0.00 N ATOM 0 H LYS A 121 14.842 -0.702 -10.107 1.00 0.00 H new ATOM 0 HA LYS A 121 15.091 0.613 -7.602 1.00 0.00 H new ATOM 0 HB2 LYS A 121 12.664 0.264 -9.401 1.00 0.00 H new ATOM 0 HB3 LYS A 121 12.853 1.473 -8.147 1.00 0.00 H new ATOM 0 HG2 LYS A 121 14.180 2.811 -9.436 1.00 0.00 H new ATOM 0 HG3 LYS A 121 15.013 1.461 -10.180 1.00 0.00 H new ATOM 0 HD2 LYS A 121 13.679 2.619 -11.865 1.00 0.00 H new ATOM 0 HD3 LYS A 121 13.024 1.014 -11.607 1.00 0.00 H new ATOM 0 HE2 LYS A 121 11.398 2.094 -9.930 1.00 0.00 H new ATOM 0 HE3 LYS A 121 11.941 3.644 -10.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 9.931 2.860 -11.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 11.216 3.022 -12.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 10.753 1.482 -12.211 1.00 0.00 H new ATOM 1895 N LEU A 122 13.304 -2.119 -7.715 1.00 0.00 N ATOM 1896 CA LEU A 122 12.609 -3.103 -6.898 1.00 0.00 C ATOM 1897 C LEU A 122 13.500 -3.574 -5.757 1.00 0.00 C ATOM 1898 O LEU A 122 13.134 -3.467 -4.587 1.00 0.00 O ATOM 1899 CB LEU A 122 12.179 -4.295 -7.750 1.00 0.00 C ATOM 1900 CG LEU A 122 10.754 -4.210 -8.294 1.00 0.00 C ATOM 1901 CD1 LEU A 122 10.733 -4.509 -9.782 1.00 0.00 C ATOM 1902 CD2 LEU A 122 9.833 -5.161 -7.545 1.00 0.00 C ATOM 0 H LEU A 122 13.467 -2.409 -8.679 1.00 0.00 H new ATOM 0 HA LEU A 122 11.720 -2.632 -6.477 1.00 0.00 H new ATOM 0 HB2 LEU A 122 12.868 -4.392 -8.589 1.00 0.00 H new ATOM 0 HB3 LEU A 122 12.272 -5.203 -7.154 1.00 0.00 H new ATOM 0 HG LEU A 122 10.391 -3.194 -8.141 1.00 0.00 H new ATOM 0 HD11 LEU A 122 9.710 -4.444 -10.152 1.00 0.00 H new ATOM 0 HD12 LEU A 122 11.356 -3.785 -10.307 1.00 0.00 H new ATOM 0 HD13 LEU A 122 11.119 -5.513 -9.957 1.00 0.00 H new ATOM 0 HD21 LEU A 122 8.824 -5.084 -7.949 1.00 0.00 H new ATOM 0 HD22 LEU A 122 10.193 -6.183 -7.661 1.00 0.00 H new ATOM 0 HD23 LEU A 122 9.821 -4.899 -6.487 1.00 0.00 H new ATOM 1914 N GLU A 123 14.679 -4.088 -6.102 1.00 0.00 N ATOM 1915 CA GLU A 123 15.624 -4.561 -5.098 1.00 0.00 C ATOM 1916 C GLU A 123 15.824 -3.497 -4.028 1.00 0.00 C ATOM 1917 O GLU A 123 16.008 -3.808 -2.851 1.00 0.00 O ATOM 1918 CB GLU A 123 16.962 -4.916 -5.747 1.00 0.00 C ATOM 1919 CG GLU A 123 17.237 -6.407 -5.775 1.00 0.00 C ATOM 1920 CD GLU A 123 18.552 -6.747 -6.447 1.00 0.00 C ATOM 1921 OE1 GLU A 123 18.880 -6.106 -7.469 1.00 0.00 O ATOM 1922 OE2 GLU A 123 19.256 -7.653 -5.953 1.00 0.00 O ATOM 0 H GLU A 123 15.000 -4.186 -7.065 1.00 0.00 H new ATOM 0 HA GLU A 123 15.218 -5.459 -4.632 1.00 0.00 H new ATOM 0 HB2 GLU A 123 16.977 -4.531 -6.767 1.00 0.00 H new ATOM 0 HB3 GLU A 123 17.765 -4.415 -5.206 1.00 0.00 H new ATOM 0 HG2 GLU A 123 17.246 -6.790 -4.754 1.00 0.00 H new ATOM 0 HG3 GLU A 123 16.425 -6.912 -6.298 1.00 0.00 H new ATOM 1929 N ASP A 124 15.768 -2.238 -4.448 1.00 0.00 N ATOM 1930 CA ASP A 124 15.922 -1.123 -3.529 1.00 0.00 C ATOM 1931 C ASP A 124 14.821 -1.162 -2.476 1.00 0.00 C ATOM 1932 O ASP A 124 15.053 -0.846 -1.310 1.00 0.00 O ATOM 1933 CB ASP A 124 15.885 0.207 -4.287 1.00 0.00 C ATOM 1934 CG ASP A 124 17.265 0.809 -4.464 1.00 0.00 C ATOM 1935 OD1 ASP A 124 17.986 0.379 -5.389 1.00 0.00 O ATOM 1936 OD2 ASP A 124 17.624 1.712 -3.679 1.00 0.00 O ATOM 0 H ASP A 124 15.617 -1.967 -5.420 1.00 0.00 H new ATOM 0 HA ASP A 124 16.889 -1.209 -3.034 1.00 0.00 H new ATOM 0 HB2 ASP A 124 15.431 0.052 -5.266 1.00 0.00 H new ATOM 0 HB3 ASP A 124 15.250 0.911 -3.749 1.00 0.00 H new ATOM 1941 N ILE A 125 13.623 -1.569 -2.895 1.00 0.00 N ATOM 1942 CA ILE A 125 12.498 -1.666 -1.979 1.00 0.00 C ATOM 1943 C ILE A 125 12.729 -2.781 -0.968 1.00 0.00 C ATOM 1944 O ILE A 125 12.644 -2.571 0.241 1.00 0.00 O ATOM 1945 CB ILE A 125 11.172 -1.967 -2.702 1.00 0.00 C ATOM 1946 CG1 ILE A 125 11.103 -1.318 -4.087 1.00 0.00 C ATOM 1947 CG2 ILE A 125 10.009 -1.518 -1.835 1.00 0.00 C ATOM 1948 CD1 ILE A 125 10.964 0.181 -4.056 1.00 0.00 C ATOM 0 H ILE A 125 13.412 -1.834 -3.857 1.00 0.00 H new ATOM 0 HA ILE A 125 12.425 -0.696 -1.488 1.00 0.00 H new ATOM 0 HB ILE A 125 11.113 -3.044 -2.862 1.00 0.00 H new ATOM 0 HG12 ILE A 125 12.004 -1.577 -4.644 1.00 0.00 H new ATOM 0 HG13 ILE A 125 10.259 -1.739 -4.633 1.00 0.00 H new ATOM 0 HG21 ILE A 125 9.070 -1.731 -2.347 1.00 0.00 H new ATOM 0 HG22 ILE A 125 10.035 -2.054 -0.886 1.00 0.00 H new ATOM 0 HG23 ILE A 125 10.086 -0.447 -1.649 1.00 0.00 H new ATOM 0 HD11 ILE A 125 10.922 0.564 -5.076 1.00 0.00 H new ATOM 0 HD12 ILE A 125 10.049 0.451 -3.529 1.00 0.00 H new ATOM 0 HD13 ILE A 125 11.821 0.615 -3.540 1.00 0.00 H new ATOM 1960 N ALA A 126 13.015 -3.977 -1.478 1.00 0.00 N ATOM 1961 CA ALA A 126 13.254 -5.135 -0.628 1.00 0.00 C ATOM 1962 C ALA A 126 14.312 -4.829 0.420 1.00 0.00 C ATOM 1963 O ALA A 126 14.182 -5.216 1.580 1.00 0.00 O ATOM 1964 CB ALA A 126 13.671 -6.332 -1.468 1.00 0.00 C ATOM 0 H ALA A 126 13.086 -4.167 -2.478 1.00 0.00 H new ATOM 0 HA ALA A 126 12.324 -5.376 -0.113 1.00 0.00 H new ATOM 0 HB1 ALA A 126 13.846 -7.189 -0.818 1.00 0.00 H new ATOM 0 HB2 ALA A 126 12.880 -6.571 -2.179 1.00 0.00 H new ATOM 0 HB3 ALA A 126 14.586 -6.095 -2.010 1.00 0.00 H new ATOM 1970 N ASN A 127 15.359 -4.125 0.006 1.00 0.00 N ATOM 1971 CA ASN A 127 16.436 -3.766 0.915 1.00 0.00 C ATOM 1972 C ASN A 127 15.988 -2.673 1.869 1.00 0.00 C ATOM 1973 O ASN A 127 16.400 -2.644 3.028 1.00 0.00 O ATOM 1974 CB ASN A 127 17.675 -3.320 0.139 1.00 0.00 C ATOM 1975 CG ASN A 127 18.391 -4.480 -0.524 1.00 0.00 C ATOM 1976 OD1 ASN A 127 18.625 -5.517 0.098 1.00 0.00 O ATOM 1977 ND2 ASN A 127 18.745 -4.311 -1.792 1.00 0.00 N ATOM 0 H ASN A 127 15.483 -3.793 -0.951 1.00 0.00 H new ATOM 0 HA ASN A 127 16.696 -4.650 1.498 1.00 0.00 H new ATOM 0 HB2 ASN A 127 17.383 -2.595 -0.621 1.00 0.00 H new ATOM 0 HB3 ASN A 127 18.361 -2.813 0.817 1.00 0.00 H new ATOM 0 HD21 ASN A 127 19.231 -5.057 -2.290 1.00 0.00 H new ATOM 0 HD22 ASN A 127 18.531 -3.435 -2.269 1.00 0.00 H new ATOM 1984 N ALA A 128 15.127 -1.786 1.387 1.00 0.00 N ATOM 1985 CA ALA A 128 14.615 -0.713 2.221 1.00 0.00 C ATOM 1986 C ALA A 128 14.061 -1.293 3.519 1.00 0.00 C ATOM 1987 O ALA A 128 14.164 -0.686 4.584 1.00 0.00 O ATOM 1988 CB ALA A 128 13.549 0.077 1.473 1.00 0.00 C ATOM 0 H ALA A 128 14.772 -1.790 0.431 1.00 0.00 H new ATOM 0 HA ALA A 128 15.426 -0.027 2.466 1.00 0.00 H new ATOM 0 HB1 ALA A 128 13.175 0.878 2.111 1.00 0.00 H new ATOM 0 HB2 ALA A 128 13.981 0.505 0.569 1.00 0.00 H new ATOM 0 HB3 ALA A 128 12.727 -0.586 1.203 1.00 0.00 H new ATOM 1994 N ALA A 129 13.484 -2.490 3.410 1.00 0.00 N ATOM 1995 CA ALA A 129 12.920 -3.185 4.562 1.00 0.00 C ATOM 1996 C ALA A 129 14.003 -3.945 5.317 1.00 0.00 C ATOM 1997 O ALA A 129 14.046 -3.927 6.547 1.00 0.00 O ATOM 1998 CB ALA A 129 11.821 -4.141 4.119 1.00 0.00 C ATOM 0 H ALA A 129 13.396 -2.999 2.530 1.00 0.00 H new ATOM 0 HA ALA A 129 12.490 -2.440 5.232 1.00 0.00 H new ATOM 0 HB1 ALA A 129 11.410 -4.652 4.990 1.00 0.00 H new ATOM 0 HB2 ALA A 129 11.030 -3.580 3.621 1.00 0.00 H new ATOM 0 HB3 ALA A 129 12.235 -4.876 3.429 1.00 0.00 H new ATOM 2004 N LEU A 130 14.876 -4.615 4.570 1.00 0.00 N ATOM 2005 CA LEU A 130 15.962 -5.390 5.161 1.00 0.00 C ATOM 2006 C LEU A 130 16.721 -4.570 6.200 1.00 0.00 C ATOM 2007 O LEU A 130 17.287 -5.119 7.146 1.00 0.00 O ATOM 2008 CB LEU A 130 16.920 -5.871 4.069 1.00 0.00 C ATOM 2009 CG LEU A 130 16.341 -6.928 3.126 1.00 0.00 C ATOM 2010 CD1 LEU A 130 17.234 -7.109 1.907 1.00 0.00 C ATOM 2011 CD2 LEU A 130 16.157 -8.246 3.861 1.00 0.00 C ATOM 0 H LEU A 130 14.852 -4.636 3.551 1.00 0.00 H new ATOM 0 HA LEU A 130 15.527 -6.255 5.663 1.00 0.00 H new ATOM 0 HB2 LEU A 130 17.236 -5.011 3.478 1.00 0.00 H new ATOM 0 HB3 LEU A 130 17.814 -6.278 4.543 1.00 0.00 H new ATOM 0 HG LEU A 130 15.365 -6.587 2.781 1.00 0.00 H new ATOM 0 HD11 LEU A 130 16.804 -7.865 1.250 1.00 0.00 H new ATOM 0 HD12 LEU A 130 17.313 -6.164 1.370 1.00 0.00 H new ATOM 0 HD13 LEU A 130 18.226 -7.428 2.227 1.00 0.00 H new ATOM 0 HD21 LEU A 130 15.744 -8.989 3.178 1.00 0.00 H new ATOM 0 HD22 LEU A 130 17.121 -8.592 4.234 1.00 0.00 H new ATOM 0 HD23 LEU A 130 15.474 -8.103 4.698 1.00 0.00 H new ATOM 2023 N ALA A 131 16.722 -3.253 6.024 1.00 0.00 N ATOM 2024 CA ALA A 131 17.405 -2.361 6.952 1.00 0.00 C ATOM 2025 C ALA A 131 16.706 -2.351 8.307 1.00 0.00 C ATOM 2026 O ALA A 131 17.343 -2.160 9.343 1.00 0.00 O ATOM 2027 CB ALA A 131 17.468 -0.952 6.379 1.00 0.00 C ATOM 0 H ALA A 131 16.258 -2.781 5.248 1.00 0.00 H new ATOM 0 HA ALA A 131 18.421 -2.728 7.095 1.00 0.00 H new ATOM 0 HB1 ALA A 131 17.981 -0.296 7.082 1.00 0.00 H new ATOM 0 HB2 ALA A 131 18.012 -0.967 5.434 1.00 0.00 H new ATOM 0 HB3 ALA A 131 16.457 -0.583 6.209 1.00 0.00 H new ATOM 2033 N ALA A 132 15.393 -2.559 8.290 1.00 0.00 N ATOM 2034 CA ALA A 132 14.605 -2.575 9.516 1.00 0.00 C ATOM 2035 C ALA A 132 13.833 -3.886 9.667 1.00 0.00 C ATOM 2036 O ALA A 132 12.886 -3.966 10.449 1.00 0.00 O ATOM 2037 CB ALA A 132 13.648 -1.393 9.539 1.00 0.00 C ATOM 0 H ALA A 132 14.853 -2.719 7.440 1.00 0.00 H new ATOM 0 HA ALA A 132 15.292 -2.495 10.358 1.00 0.00 H new ATOM 0 HB1 ALA A 132 13.064 -1.415 10.459 1.00 0.00 H new ATOM 0 HB2 ALA A 132 14.216 -0.464 9.492 1.00 0.00 H new ATOM 0 HB3 ALA A 132 12.977 -1.452 8.682 1.00 0.00 H new ATOM 2043 N ASN A 133 14.239 -4.906 8.910 1.00 0.00 N ATOM 2044 CA ASN A 133 13.585 -6.214 8.954 1.00 0.00 C ATOM 2045 C ASN A 133 12.069 -6.071 8.898 1.00 0.00 C ATOM 2046 O ASN A 133 11.335 -6.866 9.488 1.00 0.00 O ATOM 2047 CB ASN A 133 14.001 -6.984 10.213 1.00 0.00 C ATOM 2048 CG ASN A 133 13.493 -6.343 11.490 1.00 0.00 C ATOM 2049 OD1 ASN A 133 12.288 -6.175 11.678 1.00 0.00 O ATOM 2050 ND2 ASN A 133 14.413 -5.980 12.376 1.00 0.00 N ATOM 0 H ASN A 133 15.021 -4.851 8.257 1.00 0.00 H new ATOM 0 HA ASN A 133 13.906 -6.778 8.078 1.00 0.00 H new ATOM 0 HB2 ASN A 133 13.624 -8.005 10.150 1.00 0.00 H new ATOM 0 HB3 ASN A 133 15.088 -7.047 10.252 1.00 0.00 H new ATOM 0 HD21 ASN A 133 14.131 -5.543 13.254 1.00 0.00 H new ATOM 0 HD22 ASN A 133 15.401 -6.138 12.179 1.00 0.00 H new ATOM 2057 N ALA A 134 11.609 -5.051 8.185 1.00 0.00 N ATOM 2058 CA ALA A 134 10.181 -4.796 8.047 1.00 0.00 C ATOM 2059 C ALA A 134 9.550 -5.733 7.021 1.00 0.00 C ATOM 2060 O ALA A 134 10.131 -5.998 5.968 1.00 0.00 O ATOM 2061 CB ALA A 134 9.940 -3.345 7.656 1.00 0.00 C ATOM 0 H ALA A 134 12.205 -4.386 7.693 1.00 0.00 H new ATOM 0 HA ALA A 134 9.709 -4.986 9.011 1.00 0.00 H new ATOM 0 HB1 ALA A 134 8.869 -3.168 7.556 1.00 0.00 H new ATOM 0 HB2 ALA A 134 10.346 -2.689 8.426 1.00 0.00 H new ATOM 0 HB3 ALA A 134 10.432 -3.138 6.706 1.00 0.00 H new ATOM 2067 N VAL A 135 8.358 -6.232 7.335 1.00 0.00 N ATOM 2068 CA VAL A 135 7.650 -7.139 6.441 1.00 0.00 C ATOM 2069 C VAL A 135 7.060 -6.387 5.253 1.00 0.00 C ATOM 2070 O VAL A 135 6.090 -5.642 5.393 1.00 0.00 O ATOM 2071 CB VAL A 135 6.519 -7.884 7.174 1.00 0.00 C ATOM 2072 CG1 VAL A 135 5.925 -8.964 6.283 1.00 0.00 C ATOM 2073 CG2 VAL A 135 7.030 -8.479 8.477 1.00 0.00 C ATOM 0 H VAL A 135 7.863 -6.023 8.202 1.00 0.00 H new ATOM 0 HA VAL A 135 8.380 -7.865 6.084 1.00 0.00 H new ATOM 0 HB VAL A 135 5.732 -7.169 7.412 1.00 0.00 H new ATOM 0 HG11 VAL A 135 5.128 -9.479 6.818 1.00 0.00 H new ATOM 0 HG12 VAL A 135 5.520 -8.508 5.379 1.00 0.00 H new ATOM 0 HG13 VAL A 135 6.701 -9.680 6.012 1.00 0.00 H new ATOM 0 HG21 VAL A 135 6.217 -9.002 8.982 1.00 0.00 H new ATOM 0 HG22 VAL A 135 7.837 -9.181 8.265 1.00 0.00 H new ATOM 0 HG23 VAL A 135 7.403 -7.681 9.120 1.00 0.00 H new ATOM 2083 N THR A 136 7.656 -6.585 4.081 1.00 0.00 N ATOM 2084 CA THR A 136 7.193 -5.923 2.868 1.00 0.00 C ATOM 2085 C THR A 136 6.822 -6.935 1.789 1.00 0.00 C ATOM 2086 O THR A 136 7.325 -8.058 1.773 1.00 0.00 O ATOM 2087 CB THR A 136 8.270 -4.974 2.340 1.00 0.00 C ATOM 2088 OG1 THR A 136 9.554 -5.372 2.789 1.00 0.00 O ATOM 2089 CG2 THR A 136 8.060 -3.540 2.765 1.00 0.00 C ATOM 0 H THR A 136 8.460 -7.198 3.947 1.00 0.00 H new ATOM 0 HA THR A 136 6.299 -5.352 3.121 1.00 0.00 H new ATOM 0 HB THR A 136 8.198 -5.029 1.254 1.00 0.00 H new ATOM 0 HG1 THR A 136 10.227 -5.114 2.125 1.00 0.00 H new ATOM 0 HG21 THR A 136 8.858 -2.919 2.358 1.00 0.00 H new ATOM 0 HG22 THR A 136 7.099 -3.187 2.392 1.00 0.00 H new ATOM 0 HG23 THR A 136 8.072 -3.478 3.853 1.00 0.00 H new ATOM 2097 N GLN A 137 5.942 -6.518 0.887 1.00 0.00 N ATOM 2098 CA GLN A 137 5.499 -7.369 -0.209 1.00 0.00 C ATOM 2099 C GLN A 137 4.947 -6.520 -1.347 1.00 0.00 C ATOM 2100 O GLN A 137 3.968 -5.793 -1.172 1.00 0.00 O ATOM 2101 CB GLN A 137 4.435 -8.355 0.276 1.00 0.00 C ATOM 2102 CG GLN A 137 3.346 -7.711 1.118 1.00 0.00 C ATOM 2103 CD GLN A 137 1.952 -8.124 0.687 1.00 0.00 C ATOM 2104 OE1 GLN A 137 1.552 -7.899 -0.456 1.00 0.00 O ATOM 2105 NE2 GLN A 137 1.204 -8.730 1.601 1.00 0.00 N ATOM 0 H GLN A 137 5.519 -5.590 0.894 1.00 0.00 H new ATOM 0 HA GLN A 137 6.356 -7.934 -0.576 1.00 0.00 H new ATOM 0 HB2 GLN A 137 3.977 -8.836 -0.588 1.00 0.00 H new ATOM 0 HB3 GLN A 137 4.918 -9.139 0.859 1.00 0.00 H new ATOM 0 HG2 GLN A 137 3.493 -7.981 2.164 1.00 0.00 H new ATOM 0 HG3 GLN A 137 3.436 -6.627 1.053 1.00 0.00 H new ATOM 0 HE21 GLN A 137 1.576 -8.896 2.536 1.00 0.00 H new ATOM 0 HE22 GLN A 137 0.257 -9.029 1.368 1.00 0.00 H new ATOM 2114 N VAL A 138 5.583 -6.607 -2.508 1.00 0.00 N ATOM 2115 CA VAL A 138 5.156 -5.837 -3.668 1.00 0.00 C ATOM 2116 C VAL A 138 4.115 -6.594 -4.483 1.00 0.00 C ATOM 2117 O VAL A 138 4.414 -7.610 -5.109 1.00 0.00 O ATOM 2118 CB VAL A 138 6.350 -5.470 -4.569 1.00 0.00 C ATOM 2119 CG1 VAL A 138 5.910 -4.541 -5.691 1.00 0.00 C ATOM 2120 CG2 VAL A 138 7.461 -4.834 -3.745 1.00 0.00 C ATOM 0 H VAL A 138 6.395 -7.202 -2.671 1.00 0.00 H new ATOM 0 HA VAL A 138 4.707 -4.918 -3.291 1.00 0.00 H new ATOM 0 HB VAL A 138 6.737 -6.384 -5.019 1.00 0.00 H new ATOM 0 HG11 VAL A 138 6.768 -4.294 -6.316 1.00 0.00 H new ATOM 0 HG12 VAL A 138 5.151 -5.036 -6.296 1.00 0.00 H new ATOM 0 HG13 VAL A 138 5.496 -3.627 -5.265 1.00 0.00 H new ATOM 0 HG21 VAL A 138 8.297 -4.580 -4.396 1.00 0.00 H new ATOM 0 HG22 VAL A 138 7.087 -3.929 -3.266 1.00 0.00 H new ATOM 0 HG23 VAL A 138 7.796 -5.536 -2.982 1.00 0.00 H new ATOM 2130 N ALA A 139 2.887 -6.085 -4.463 1.00 0.00 N ATOM 2131 CA ALA A 139 1.787 -6.700 -5.191 1.00 0.00 C ATOM 2132 C ALA A 139 1.880 -6.402 -6.685 1.00 0.00 C ATOM 2133 O ALA A 139 2.802 -5.723 -7.137 1.00 0.00 O ATOM 2134 CB ALA A 139 0.459 -6.216 -4.631 1.00 0.00 C ATOM 0 H ALA A 139 2.630 -5.244 -3.947 1.00 0.00 H new ATOM 0 HA ALA A 139 1.853 -7.781 -5.064 1.00 0.00 H new ATOM 0 HB1 ALA A 139 -0.359 -6.681 -5.181 1.00 0.00 H new ATOM 0 HB2 ALA A 139 0.388 -6.487 -3.578 1.00 0.00 H new ATOM 0 HB3 ALA A 139 0.395 -5.133 -4.732 1.00 0.00 H new ATOM 2140 N LYS A 140 0.921 -6.918 -7.446 1.00 0.00 N ATOM 2141 CA LYS A 140 0.895 -6.711 -8.890 1.00 0.00 C ATOM 2142 C LYS A 140 0.511 -5.276 -9.236 1.00 0.00 C ATOM 2143 O LYS A 140 0.022 -4.529 -8.387 1.00 0.00 O ATOM 2144 CB LYS A 140 -0.083 -7.687 -9.549 1.00 0.00 C ATOM 2145 CG LYS A 140 0.592 -8.909 -10.151 1.00 0.00 C ATOM 2146 CD LYS A 140 -0.428 -9.937 -10.615 1.00 0.00 C ATOM 2147 CE LYS A 140 -0.855 -10.850 -9.477 1.00 0.00 C ATOM 2148 NZ LYS A 140 -1.915 -10.229 -8.635 1.00 0.00 N ATOM 0 H LYS A 140 0.151 -7.483 -7.087 1.00 0.00 H new ATOM 0 HA LYS A 140 1.899 -6.897 -9.272 1.00 0.00 H new ATOM 0 HB2 LYS A 140 -0.813 -8.013 -8.808 1.00 0.00 H new ATOM 0 HB3 LYS A 140 -0.634 -7.164 -10.331 1.00 0.00 H new ATOM 0 HG2 LYS A 140 1.213 -8.605 -10.994 1.00 0.00 H new ATOM 0 HG3 LYS A 140 1.255 -9.360 -9.413 1.00 0.00 H new ATOM 0 HD2 LYS A 140 -1.301 -9.427 -11.021 1.00 0.00 H new ATOM 0 HD3 LYS A 140 -0.003 -10.534 -11.422 1.00 0.00 H new ATOM 0 HE2 LYS A 140 -1.221 -11.792 -9.885 1.00 0.00 H new ATOM 0 HE3 LYS A 140 0.010 -11.086 -8.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 -2.652 -10.933 -8.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 -1.498 -9.894 -7.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 -2.336 -9.425 -9.144 1.00 0.00 H new ATOM 2162 N VAL A 141 0.743 -4.900 -10.488 1.00 0.00 N ATOM 2163 CA VAL A 141 0.432 -3.557 -10.958 1.00 0.00 C ATOM 2164 C VAL A 141 -0.848 -3.546 -11.790 1.00 0.00 C ATOM 2165 O VAL A 141 -1.191 -4.536 -12.435 1.00 0.00 O ATOM 2166 CB VAL A 141 1.591 -2.984 -11.800 1.00 0.00 C ATOM 2167 CG1 VAL A 141 1.266 -1.585 -12.297 1.00 0.00 C ATOM 2168 CG2 VAL A 141 2.879 -2.974 -10.996 1.00 0.00 C ATOM 0 H VAL A 141 1.147 -5.510 -11.198 1.00 0.00 H new ATOM 0 HA VAL A 141 0.287 -2.933 -10.076 1.00 0.00 H new ATOM 0 HB VAL A 141 1.726 -3.629 -12.668 1.00 0.00 H new ATOM 0 HG11 VAL A 141 2.100 -1.206 -12.887 1.00 0.00 H new ATOM 0 HG12 VAL A 141 0.369 -1.618 -12.915 1.00 0.00 H new ATOM 0 HG13 VAL A 141 1.096 -0.927 -11.445 1.00 0.00 H new ATOM 0 HG21 VAL A 141 3.685 -2.567 -11.606 1.00 0.00 H new ATOM 0 HG22 VAL A 141 2.748 -2.356 -10.107 1.00 0.00 H new ATOM 0 HG23 VAL A 141 3.129 -3.992 -10.697 1.00 0.00 H new ATOM 2178 N PHE A 142 -1.540 -2.411 -11.778 1.00 0.00 N ATOM 2179 CA PHE A 142 -2.778 -2.259 -12.544 1.00 0.00 C ATOM 2180 C PHE A 142 -2.659 -1.131 -13.562 1.00 0.00 C ATOM 2181 O PHE A 142 -3.310 -1.156 -14.604 1.00 0.00 O ATOM 2182 CB PHE A 142 -3.995 -1.986 -11.643 1.00 0.00 C ATOM 2183 CG PHE A 142 -3.679 -1.605 -10.226 1.00 0.00 C ATOM 2184 CD1 PHE A 142 -2.738 -0.632 -9.942 1.00 0.00 C ATOM 2185 CD2 PHE A 142 -4.340 -2.220 -9.178 1.00 0.00 C ATOM 2186 CE1 PHE A 142 -2.456 -0.286 -8.639 1.00 0.00 C ATOM 2187 CE2 PHE A 142 -4.064 -1.876 -7.872 1.00 0.00 C ATOM 2188 CZ PHE A 142 -3.119 -0.911 -7.601 1.00 0.00 C ATOM 0 H PHE A 142 -1.267 -1.583 -11.248 1.00 0.00 H new ATOM 0 HA PHE A 142 -2.933 -3.208 -13.058 1.00 0.00 H new ATOM 0 HB2 PHE A 142 -4.585 -1.187 -12.092 1.00 0.00 H new ATOM 0 HB3 PHE A 142 -4.622 -2.877 -11.630 1.00 0.00 H new ATOM 0 HD1 PHE A 142 -2.219 -0.138 -10.750 1.00 0.00 H new ATOM 0 HD2 PHE A 142 -5.081 -2.978 -9.385 1.00 0.00 H new ATOM 0 HE1 PHE A 142 -1.717 0.473 -8.429 1.00 0.00 H new ATOM 0 HE2 PHE A 142 -4.588 -2.362 -7.062 1.00 0.00 H new ATOM 0 HZ PHE A 142 -2.897 -0.644 -6.578 1.00 0.00 H new ATOM 2198 N ASP A 143 -1.843 -0.132 -13.244 1.00 0.00 N ATOM 2199 CA ASP A 143 -1.663 1.013 -14.125 1.00 0.00 C ATOM 2200 C ASP A 143 -0.445 0.845 -15.025 1.00 0.00 C ATOM 2201 O ASP A 143 0.067 1.817 -15.580 1.00 0.00 O ATOM 2202 CB ASP A 143 -1.535 2.289 -13.299 1.00 0.00 C ATOM 2203 CG ASP A 143 -2.845 2.680 -12.640 1.00 0.00 C ATOM 2204 OD1 ASP A 143 -3.733 1.810 -12.525 1.00 0.00 O ATOM 2205 OD2 ASP A 143 -2.981 3.855 -12.241 1.00 0.00 O ATOM 0 H ASP A 143 -1.297 -0.093 -12.383 1.00 0.00 H new ATOM 0 HA ASP A 143 -2.541 1.083 -14.767 1.00 0.00 H new ATOM 0 HB2 ASP A 143 -0.773 2.149 -12.533 1.00 0.00 H new ATOM 0 HB3 ASP A 143 -1.196 3.102 -13.941 1.00 0.00 H new ATOM 2210 N GLN A 144 0.011 -0.391 -15.173 1.00 0.00 N ATOM 2211 CA GLN A 144 1.160 -0.685 -16.008 1.00 0.00 C ATOM 2212 C GLN A 144 0.802 -0.552 -17.487 1.00 0.00 C ATOM 2213 O GLN A 144 1.662 -0.265 -18.319 1.00 0.00 O ATOM 2214 CB GLN A 144 1.664 -2.093 -15.703 1.00 0.00 C ATOM 2215 CG GLN A 144 3.156 -2.161 -15.458 1.00 0.00 C ATOM 2216 CD GLN A 144 3.683 -3.582 -15.467 1.00 0.00 C ATOM 2217 OE1 GLN A 144 4.180 -4.038 -14.323 1.00 0.00 O flip ATOM 2218 NE2 GLN A 144 3.643 -4.265 -16.491 1.00 0.00 N flip ATOM 0 H GLN A 144 -0.402 -1.208 -14.722 1.00 0.00 H new ATOM 0 HA GLN A 144 1.950 0.033 -15.789 1.00 0.00 H new ATOM 0 HB2 GLN A 144 1.142 -2.475 -14.826 1.00 0.00 H new ATOM 0 HB3 GLN A 144 1.410 -2.749 -16.535 1.00 0.00 H new ATOM 0 HG2 GLN A 144 3.673 -1.581 -16.222 1.00 0.00 H new ATOM 0 HG3 GLN A 144 3.384 -1.699 -14.498 1.00 0.00 H new ATOM 0 HE21 GLN A 144 3.253 -3.875 -17.349 1.00 0.00 H new ATOM 0 HE22 GLN A 144 4.000 -5.220 -16.481 1.00 0.00 H new ATOM 2227 N TYR A 145 -0.474 -0.762 -17.808 1.00 0.00 N ATOM 2228 CA TYR A 145 -0.945 -0.667 -19.181 1.00 0.00 C ATOM 2229 C TYR A 145 -1.842 0.557 -19.373 1.00 0.00 C ATOM 2230 O TYR A 145 -1.981 1.065 -20.485 1.00 0.00 O ATOM 2231 CB TYR A 145 -1.713 -1.933 -19.572 1.00 0.00 C ATOM 2232 CG TYR A 145 -1.879 -2.938 -18.452 1.00 0.00 C ATOM 2233 CD1 TYR A 145 -0.785 -3.612 -17.928 1.00 0.00 C ATOM 2234 CD2 TYR A 145 -3.135 -3.212 -17.925 1.00 0.00 C ATOM 2235 CE1 TYR A 145 -0.935 -4.530 -16.906 1.00 0.00 C ATOM 2236 CE2 TYR A 145 -3.294 -4.129 -16.904 1.00 0.00 C ATOM 2237 CZ TYR A 145 -2.192 -4.786 -16.399 1.00 0.00 C ATOM 2238 OH TYR A 145 -2.345 -5.701 -15.383 1.00 0.00 O ATOM 0 H TYR A 145 -1.199 -0.999 -17.131 1.00 0.00 H new ATOM 0 HA TYR A 145 -0.072 -0.562 -19.825 1.00 0.00 H new ATOM 0 HB2 TYR A 145 -2.700 -1.646 -19.935 1.00 0.00 H new ATOM 0 HB3 TYR A 145 -1.196 -2.415 -20.402 1.00 0.00 H new ATOM 0 HD1 TYR A 145 0.200 -3.416 -18.325 1.00 0.00 H new ATOM 0 HD2 TYR A 145 -4.000 -2.700 -18.320 1.00 0.00 H new ATOM 0 HE1 TYR A 145 -0.073 -5.044 -16.507 1.00 0.00 H new ATOM 0 HE2 TYR A 145 -4.277 -4.330 -16.503 1.00 0.00 H new ATOM 0 HH TYR A 145 -1.593 -5.626 -14.759 1.00 0.00 H new ATOM 2248 N LEU A 146 -2.451 1.026 -18.284 1.00 0.00 N ATOM 2249 CA LEU A 146 -3.334 2.187 -18.345 1.00 0.00 C ATOM 2250 C LEU A 146 -2.992 3.193 -17.252 1.00 0.00 C ATOM 2251 O LEU A 146 -2.013 3.026 -16.525 1.00 0.00 O ATOM 2252 CB LEU A 146 -4.811 1.764 -18.242 1.00 0.00 C ATOM 2253 CG LEU A 146 -5.184 0.833 -17.075 1.00 0.00 C ATOM 2254 CD1 LEU A 146 -4.499 -0.517 -17.218 1.00 0.00 C ATOM 2255 CD2 LEU A 146 -4.849 1.469 -15.731 1.00 0.00 C ATOM 0 H LEU A 146 -2.349 0.621 -17.354 1.00 0.00 H new ATOM 0 HA LEU A 146 -3.182 2.667 -19.312 1.00 0.00 H new ATOM 0 HB2 LEU A 146 -5.419 2.666 -18.165 1.00 0.00 H new ATOM 0 HB3 LEU A 146 -5.089 1.270 -19.173 1.00 0.00 H new ATOM 0 HG LEU A 146 -6.262 0.674 -17.110 1.00 0.00 H new ATOM 0 HD11 LEU A 146 -4.778 -1.157 -16.381 1.00 0.00 H new ATOM 0 HD12 LEU A 146 -4.809 -0.985 -18.152 1.00 0.00 H new ATOM 0 HD13 LEU A 146 -3.418 -0.378 -17.223 1.00 0.00 H new ATOM 0 HD21 LEU A 146 -5.124 0.787 -14.927 1.00 0.00 H new ATOM 0 HD22 LEU A 146 -3.780 1.675 -15.682 1.00 0.00 H new ATOM 0 HD23 LEU A 146 -5.403 2.401 -15.621 1.00 0.00 H new ATOM 2267 N ASN A 147 -3.808 4.237 -17.138 1.00 0.00 N ATOM 2268 CA ASN A 147 -3.593 5.267 -16.131 1.00 0.00 C ATOM 2269 C ASN A 147 -2.244 5.950 -16.331 1.00 0.00 C ATOM 2270 O ASN A 147 -1.210 5.319 -16.025 1.00 0.00 O ATOM 2271 CB ASN A 147 -3.674 4.653 -14.734 1.00 0.00 C ATOM 2272 CG ASN A 147 -4.732 5.314 -13.871 1.00 0.00 C ATOM 2273 OD1 ASN A 147 -5.826 4.779 -13.690 1.00 0.00 O ATOM 2274 ND2 ASN A 147 -4.410 6.485 -13.333 1.00 0.00 N ATOM 2275 OXT ASN A 147 -2.233 7.111 -16.792 1.00 0.00 O ATOM 0 H ASN A 147 -4.623 4.391 -17.731 1.00 0.00 H new ATOM 0 HA ASN A 147 -4.373 6.021 -16.236 1.00 0.00 H new ATOM 0 HB2 ASN A 147 -3.893 3.589 -14.820 1.00 0.00 H new ATOM 0 HB3 ASN A 147 -2.704 4.741 -14.245 1.00 0.00 H new ATOM 0 HD21 ASN A 147 -5.081 6.977 -12.743 1.00 0.00 H new ATOM 0 HD22 ASN A 147 -3.492 6.892 -13.510 1.00 0.00 H new