USER MOD reduce.3.24.130724 H: found=0, std=0, add=1015, rem=0, adj=26 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 180:sc= -0.11 USER MOD Set 1.2: A 93 ASN : amide:sc= -6.55! C(o=-6.7!,f=-8.3!) USER MOD Single : A 14 GLN :FLIP amide:sc= -4.57! F(o=-5.6,f=-4.6!) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.143 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 MET CE :methyl -119:sc= -2.76 (180deg=-11!) USER MOD Single : A 39 LYS NZ :NH3+ 160:sc= -0.494 (180deg=-0.915) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -1.59! C(o=-1.6!,f=-4.9!) 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 -161:sc= -10.3! (180deg=-11.8!) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= -1.91 K(o=-1.9,f=-3!) USER MOD Single : A 72 HIS : no HD1:sc= -0.12 X(o=-0.12,f=-0.026) USER MOD Single : A 73 SER OG : rot 30:sc= 0.00145 USER MOD Single : A 85 TYR OH : rot -22:sc= -0.973 USER MOD Single : A 88 MET CE :methyl -152:sc= -7.59! (180deg=-10.2!) USER MOD Single : A 98 CYS SG : rot 180:sc= -1.7 USER MOD Single : A 99 GLN :FLIP amide:sc= 0 F(o=-0.52,f=0) USER MOD Single : A 103 ASN : amide:sc= -1.86 X(o=-1.9,f=-1.9) USER MOD Single : A 104 GLN : amide:sc= 0 X(o=0,f=-0.0062) USER MOD Single : A 106 TYR OH : rot -88:sc= 0 USER MOD Single : A 108 SER OG : rot 170:sc= -0.621 USER MOD Single : A 109 TYR OH : rot -54:sc= -0.613 USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 ASN : amide:sc= -3.6! C(o=-3.6!,f=-4.6!) USER MOD Single : A 115 SER OG : rot 180:sc= -0.0306 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 ASN : amide:sc= -3.78! C(o=-3.8!,f=-3.8!) USER MOD Single : A 133 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 136 THR OG1 : rot 180:sc= 0 USER MOD Single : A 137 GLN : amide:sc= -0.186 X(o=-0.19,f=-0.19) USER MOD Single : A 140 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 144 GLN : amide:sc= -4.39! C(o=-4.4!,f=-4.6!) USER MOD Single : A 145 TYR OH : rot 20:sc= -0.547 USER MOD Single : A 147 ASN :FLIP amide:sc= -0.826 F(o=-2.3,f=-0.83) USER MOD ----------------------------------------------------------------- ATOM 22 N ILE A 10 -10.475 -2.649 -18.327 1.00 0.00 N ATOM 23 CA ILE A 10 -9.227 -2.108 -17.814 1.00 0.00 C ATOM 24 C ILE A 10 -9.403 -1.598 -16.388 1.00 0.00 C ATOM 25 O ILE A 10 -8.749 -2.077 -15.462 1.00 0.00 O ATOM 26 CB ILE A 10 -8.713 -0.958 -18.701 1.00 0.00 C ATOM 27 CG1 ILE A 10 -8.653 -1.392 -20.169 1.00 0.00 C ATOM 28 CG2 ILE A 10 -7.348 -0.494 -18.222 1.00 0.00 C ATOM 29 CD1 ILE A 10 -7.990 -2.736 -20.383 1.00 0.00 C ATOM 0 HA ILE A 10 -8.496 -2.917 -17.822 1.00 0.00 H new ATOM 0 HB ILE A 10 -9.409 -0.123 -18.624 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -9.666 -1.430 -20.569 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -8.113 -0.636 -20.740 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -6.996 0.319 -18.857 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -7.423 -0.143 -17.193 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -6.643 -1.324 -18.272 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -7.985 -2.974 -21.447 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -6.965 -2.699 -20.015 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -8.542 -3.504 -19.841 1.00 0.00 H new ATOM 41 N ARG A 11 -10.297 -0.626 -16.217 1.00 0.00 N ATOM 42 CA ARG A 11 -10.566 -0.057 -14.900 1.00 0.00 C ATOM 43 C ARG A 11 -10.827 -1.162 -13.881 1.00 0.00 C ATOM 44 O ARG A 11 -10.553 -1.005 -12.689 1.00 0.00 O ATOM 45 CB ARG A 11 -11.768 0.888 -14.965 1.00 0.00 C ATOM 46 CG ARG A 11 -12.071 1.582 -13.646 1.00 0.00 C ATOM 47 CD ARG A 11 -10.973 2.562 -13.267 1.00 0.00 C ATOM 48 NE ARG A 11 -11.281 3.924 -13.698 1.00 0.00 N ATOM 49 CZ ARG A 11 -10.696 5.010 -13.198 1.00 0.00 C ATOM 50 NH1 ARG A 11 -9.769 4.899 -12.254 1.00 0.00 N ATOM 51 NH2 ARG A 11 -11.036 6.211 -13.645 1.00 0.00 N ATOM 0 H ARG A 11 -10.846 -0.217 -16.973 1.00 0.00 H new ATOM 0 HA ARG A 11 -9.688 0.507 -14.585 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -11.584 1.643 -15.729 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -12.646 0.324 -15.279 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -13.021 2.110 -13.722 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -12.182 0.837 -12.859 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -10.831 2.547 -12.186 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -10.032 2.244 -13.716 1.00 0.00 H new ATOM 0 HE ARG A 11 -11.986 4.050 -14.425 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -9.501 3.978 -11.908 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -9.324 5.735 -11.875 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -11.746 6.303 -14.372 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -10.588 7.043 -13.262 1.00 0.00 H new ATOM 65 N GLU A 12 -11.346 -2.285 -14.364 1.00 0.00 N ATOM 66 CA GLU A 12 -11.633 -3.422 -13.504 1.00 0.00 C ATOM 67 C GLU A 12 -10.346 -3.956 -12.889 1.00 0.00 C ATOM 68 O GLU A 12 -10.241 -4.097 -11.671 1.00 0.00 O ATOM 69 CB GLU A 12 -12.334 -4.526 -14.297 1.00 0.00 C ATOM 70 CG GLU A 12 -13.828 -4.300 -14.462 1.00 0.00 C ATOM 71 CD GLU A 12 -14.630 -5.579 -14.317 1.00 0.00 C ATOM 72 OE1 GLU A 12 -14.224 -6.604 -14.904 1.00 0.00 O ATOM 73 OE2 GLU A 12 -15.665 -5.555 -13.618 1.00 0.00 O ATOM 0 H GLU A 12 -11.576 -2.430 -15.347 1.00 0.00 H new ATOM 0 HA GLU A 12 -12.295 -3.093 -12.703 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -11.875 -4.601 -15.283 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -12.172 -5.481 -13.796 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -14.167 -3.577 -13.720 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -14.020 -3.864 -15.442 1.00 0.00 H new ATOM 80 N ARG A 13 -9.362 -4.240 -13.742 1.00 0.00 N ATOM 81 CA ARG A 13 -8.072 -4.749 -13.285 1.00 0.00 C ATOM 82 C ARG A 13 -7.511 -3.875 -12.170 1.00 0.00 C ATOM 83 O ARG A 13 -6.856 -4.367 -11.251 1.00 0.00 O ATOM 84 CB ARG A 13 -7.080 -4.806 -14.447 1.00 0.00 C ATOM 85 CG ARG A 13 -7.529 -5.707 -15.586 1.00 0.00 C ATOM 86 CD ARG A 13 -6.350 -6.409 -16.239 1.00 0.00 C ATOM 87 NE ARG A 13 -6.778 -7.487 -17.127 1.00 0.00 N ATOM 88 CZ ARG A 13 -5.942 -8.335 -17.721 1.00 0.00 C ATOM 89 NH1 ARG A 13 -4.633 -8.234 -17.525 1.00 0.00 N ATOM 90 NH2 ARG A 13 -6.415 -9.286 -18.514 1.00 0.00 N ATOM 0 H ARG A 13 -9.435 -4.126 -14.753 1.00 0.00 H new ATOM 0 HA ARG A 13 -8.224 -5.756 -12.897 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -6.925 -3.798 -14.832 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -6.117 -5.157 -14.075 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -8.232 -6.449 -15.208 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -8.060 -5.115 -16.332 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -5.765 -5.684 -16.805 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -5.696 -6.814 -15.467 1.00 0.00 H new ATOM 0 HE ARG A 13 -7.777 -7.596 -17.302 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -4.263 -7.504 -16.916 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -3.997 -8.887 -17.983 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -7.420 -9.368 -18.669 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -5.774 -9.936 -18.969 1.00 0.00 H new ATOM 104 N GLN A 14 -7.781 -2.575 -12.253 1.00 0.00 N ATOM 105 CA GLN A 14 -7.312 -1.634 -11.247 1.00 0.00 C ATOM 106 C GLN A 14 -7.844 -2.022 -9.873 1.00 0.00 C ATOM 107 O GLN A 14 -7.090 -2.110 -8.904 1.00 0.00 O ATOM 108 CB GLN A 14 -7.763 -0.217 -11.595 1.00 0.00 C ATOM 109 CG GLN A 14 -7.327 0.236 -12.977 1.00 0.00 C ATOM 110 CD GLN A 14 -7.175 1.739 -13.067 1.00 0.00 C ATOM 111 OE1 GLN A 14 -6.371 2.304 -12.175 1.00 0.00 O flip ATOM 112 NE2 GLN A 14 -7.772 2.386 -13.928 1.00 0.00 N flip ATOM 0 H GLN A 14 -8.322 -2.152 -13.007 1.00 0.00 H new ATOM 0 HA GLN A 14 -6.223 -1.664 -11.227 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -8.850 -0.164 -11.530 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -7.365 0.475 -10.852 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -6.379 -0.239 -13.230 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -8.058 -0.098 -13.714 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -8.380 1.909 -14.594 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -7.658 3.399 -13.975 1.00 0.00 H new ATOM 121 N THR A 15 -9.150 -2.256 -9.803 1.00 0.00 N ATOM 122 CA THR A 15 -9.791 -2.638 -8.552 1.00 0.00 C ATOM 123 C THR A 15 -9.365 -4.039 -8.123 1.00 0.00 C ATOM 124 O THR A 15 -9.322 -4.343 -6.931 1.00 0.00 O ATOM 125 CB THR A 15 -11.314 -2.569 -8.687 1.00 0.00 C ATOM 126 OG1 THR A 15 -11.689 -2.185 -9.998 1.00 0.00 O ATOM 127 CG2 THR A 15 -11.949 -1.591 -7.723 1.00 0.00 C ATOM 0 H THR A 15 -9.785 -2.188 -10.599 1.00 0.00 H new ATOM 0 HA THR A 15 -9.473 -1.933 -7.784 1.00 0.00 H new ATOM 0 HB THR A 15 -11.671 -3.573 -8.457 1.00 0.00 H new ATOM 0 HG1 THR A 15 -12.666 -2.149 -10.061 1.00 0.00 H new ATOM 0 HG21 THR A 15 -13.029 -1.587 -7.867 1.00 0.00 H new ATOM 0 HG22 THR A 15 -11.721 -1.889 -6.700 1.00 0.00 H new ATOM 0 HG23 THR A 15 -11.555 -0.591 -7.907 1.00 0.00 H new ATOM 135 N VAL A 16 -9.045 -4.892 -9.095 1.00 0.00 N ATOM 136 CA VAL A 16 -8.619 -6.257 -8.798 1.00 0.00 C ATOM 137 C VAL A 16 -7.507 -6.255 -7.753 1.00 0.00 C ATOM 138 O VAL A 16 -7.636 -6.873 -6.696 1.00 0.00 O ATOM 139 CB VAL A 16 -8.132 -6.993 -10.065 1.00 0.00 C ATOM 140 CG1 VAL A 16 -7.604 -8.378 -9.717 1.00 0.00 C ATOM 141 CG2 VAL A 16 -9.254 -7.092 -11.086 1.00 0.00 C ATOM 0 H VAL A 16 -9.073 -4.663 -10.089 1.00 0.00 H new ATOM 0 HA VAL A 16 -9.487 -6.787 -8.407 1.00 0.00 H new ATOM 0 HB VAL A 16 -7.316 -6.417 -10.501 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -7.267 -8.878 -10.625 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -6.769 -8.285 -9.022 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -8.398 -8.964 -9.254 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -8.894 -7.613 -11.973 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -10.090 -7.643 -10.655 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -9.584 -6.091 -11.363 1.00 0.00 H new ATOM 151 N ALA A 17 -6.424 -5.544 -8.048 1.00 0.00 N ATOM 152 CA ALA A 17 -5.305 -5.452 -7.121 1.00 0.00 C ATOM 153 C ALA A 17 -5.748 -4.788 -5.824 1.00 0.00 C ATOM 154 O ALA A 17 -5.396 -5.233 -4.732 1.00 0.00 O ATOM 155 CB ALA A 17 -4.155 -4.673 -7.745 1.00 0.00 C ATOM 0 H ALA A 17 -6.299 -5.026 -8.918 1.00 0.00 H new ATOM 0 HA ALA A 17 -4.958 -6.461 -6.899 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -3.328 -4.615 -7.037 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -3.822 -5.179 -8.651 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -4.490 -3.666 -7.994 1.00 0.00 H new ATOM 161 N LEU A 18 -6.524 -3.718 -5.963 1.00 0.00 N ATOM 162 CA LEU A 18 -7.030 -2.969 -4.819 1.00 0.00 C ATOM 163 C LEU A 18 -7.843 -3.858 -3.885 1.00 0.00 C ATOM 164 O LEU A 18 -7.445 -4.108 -2.747 1.00 0.00 O ATOM 165 CB LEU A 18 -7.888 -1.802 -5.303 1.00 0.00 C ATOM 166 CG LEU A 18 -7.098 -0.604 -5.828 1.00 0.00 C ATOM 167 CD1 LEU A 18 -7.997 0.316 -6.640 1.00 0.00 C ATOM 168 CD2 LEU A 18 -6.453 0.146 -4.673 1.00 0.00 C ATOM 0 H LEU A 18 -6.818 -3.347 -6.867 1.00 0.00 H new ATOM 0 HA LEU A 18 -6.175 -2.589 -4.260 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -8.550 -2.158 -6.093 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -8.522 -1.470 -4.481 1.00 0.00 H new ATOM 0 HG LEU A 18 -6.308 -0.967 -6.486 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -7.416 1.163 -7.005 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -8.410 -0.233 -7.487 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -8.810 0.678 -6.011 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -5.893 0.997 -5.060 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -7.227 0.500 -3.992 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -5.776 -0.521 -4.139 1.00 0.00 H new ATOM 180 N LYS A 19 -8.988 -4.331 -4.371 1.00 0.00 N ATOM 181 CA LYS A 19 -9.865 -5.190 -3.580 1.00 0.00 C ATOM 182 C LYS A 19 -9.074 -6.300 -2.891 1.00 0.00 C ATOM 183 O LYS A 19 -9.464 -6.785 -1.828 1.00 0.00 O ATOM 184 CB LYS A 19 -10.952 -5.799 -4.467 1.00 0.00 C ATOM 185 CG LYS A 19 -12.046 -4.814 -4.848 1.00 0.00 C ATOM 186 CD LYS A 19 -13.152 -5.489 -5.646 1.00 0.00 C ATOM 187 CE LYS A 19 -13.121 -5.072 -7.108 1.00 0.00 C ATOM 188 NZ LYS A 19 -14.280 -5.620 -7.866 1.00 0.00 N ATOM 0 H LYS A 19 -9.331 -4.133 -5.311 1.00 0.00 H new ATOM 0 HA LYS A 19 -10.332 -4.575 -2.811 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -10.493 -6.189 -5.375 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -11.401 -6.646 -3.948 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -12.466 -4.369 -3.946 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -11.617 -4.001 -5.434 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -13.045 -6.571 -5.573 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -14.120 -5.234 -5.215 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -13.125 -3.984 -7.175 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -12.193 -5.417 -7.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -14.222 -5.313 -8.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -14.263 -6.659 -7.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -15.165 -5.271 -7.447 1.00 0.00 H new ATOM 202 N ARG A 20 -7.962 -6.696 -3.501 1.00 0.00 N ATOM 203 CA ARG A 20 -7.119 -7.745 -2.944 1.00 0.00 C ATOM 204 C ARG A 20 -6.289 -7.215 -1.779 1.00 0.00 C ATOM 205 O ARG A 20 -6.314 -7.773 -0.685 1.00 0.00 O ATOM 206 CB ARG A 20 -6.200 -8.319 -4.026 1.00 0.00 C ATOM 207 CG ARG A 20 -6.297 -9.829 -4.166 1.00 0.00 C ATOM 208 CD ARG A 20 -5.700 -10.306 -5.480 1.00 0.00 C ATOM 209 NE ARG A 20 -5.801 -11.755 -5.633 1.00 0.00 N ATOM 210 CZ ARG A 20 -5.698 -12.387 -6.800 1.00 0.00 C ATOM 211 NH1 ARG A 20 -5.490 -11.701 -7.918 1.00 0.00 N ATOM 212 NH2 ARG A 20 -5.803 -13.708 -6.851 1.00 0.00 N ATOM 0 H ARG A 20 -7.624 -6.306 -4.381 1.00 0.00 H new ATOM 0 HA ARG A 20 -7.767 -8.539 -2.571 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -6.445 -7.857 -4.982 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -5.169 -8.049 -3.797 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -5.778 -10.307 -3.335 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -7.342 -10.135 -4.108 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -6.212 -9.817 -6.309 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -4.653 -10.008 -5.532 1.00 0.00 H new ATOM 0 HE ARG A 20 -5.960 -12.316 -4.796 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -5.408 -10.685 -7.885 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -5.412 -12.190 -8.810 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -5.963 -14.240 -5.996 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -5.724 -14.192 -7.746 1.00 0.00 H new ATOM 226 N MET A 21 -5.555 -6.134 -2.021 1.00 0.00 N ATOM 227 CA MET A 21 -4.716 -5.529 -0.993 1.00 0.00 C ATOM 228 C MET A 21 -5.561 -4.986 0.154 1.00 0.00 C ATOM 229 O MET A 21 -5.205 -5.128 1.324 1.00 0.00 O ATOM 230 CB MET A 21 -3.887 -4.397 -1.597 1.00 0.00 C ATOM 231 CG MET A 21 -4.731 -3.362 -2.319 1.00 0.00 C ATOM 232 SD MET A 21 -3.765 -1.972 -2.926 1.00 0.00 S ATOM 233 CE MET A 21 -3.873 -0.866 -1.524 1.00 0.00 C ATOM 0 H MET A 21 -5.524 -5.658 -2.923 1.00 0.00 H new ATOM 0 HA MET A 21 -4.053 -6.300 -0.600 1.00 0.00 H new ATOM 0 HB2 MET A 21 -3.320 -3.907 -0.805 1.00 0.00 H new ATOM 0 HB3 MET A 21 -3.162 -4.817 -2.294 1.00 0.00 H new ATOM 0 HG2 MET A 21 -5.241 -3.837 -3.157 1.00 0.00 H new ATOM 0 HG3 MET A 21 -5.503 -2.994 -1.643 1.00 0.00 H new ATOM 0 HE1 MET A 21 -4.362 0.060 -1.828 1.00 0.00 H new ATOM 0 HE2 MET A 21 -4.453 -1.339 -0.731 1.00 0.00 H new ATOM 0 HE3 MET A 21 -2.871 -0.644 -1.158 1.00 0.00 H new ATOM 487 N TRP A 38 -7.734 -5.466 10.822 1.00 0.00 N ATOM 488 CA TRP A 38 -7.425 -4.073 10.522 1.00 0.00 C ATOM 489 C TRP A 38 -6.159 -3.968 9.678 1.00 0.00 C ATOM 490 O TRP A 38 -5.086 -4.401 10.096 1.00 0.00 O ATOM 491 CB TRP A 38 -7.252 -3.275 11.816 1.00 0.00 C ATOM 492 CG TRP A 38 -8.547 -2.828 12.422 1.00 0.00 C ATOM 493 CD1 TRP A 38 -9.036 -3.170 13.649 1.00 0.00 C ATOM 494 CD2 TRP A 38 -9.518 -1.954 11.832 1.00 0.00 C ATOM 495 NE1 TRP A 38 -10.251 -2.566 13.859 1.00 0.00 N ATOM 496 CE2 TRP A 38 -10.569 -1.814 12.759 1.00 0.00 C ATOM 497 CE3 TRP A 38 -9.602 -1.276 10.612 1.00 0.00 C ATOM 498 CZ2 TRP A 38 -11.688 -1.026 12.504 1.00 0.00 C ATOM 499 CZ3 TRP A 38 -10.714 -0.494 10.360 1.00 0.00 C ATOM 500 CH2 TRP A 38 -11.743 -0.374 11.302 1.00 0.00 C ATOM 0 HA TRP A 38 -8.258 -3.657 9.955 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -6.713 -3.886 12.540 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -6.634 -2.400 11.614 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -8.539 -3.821 14.353 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -10.824 -2.662 14.698 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -8.813 -1.362 9.880 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -12.484 -0.933 13.228 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -10.790 0.033 9.421 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -12.598 0.246 11.075 1.00 0.00 H new ATOM 511 N LYS A 39 -6.290 -3.388 8.491 1.00 0.00 N ATOM 512 CA LYS A 39 -5.153 -3.227 7.593 1.00 0.00 C ATOM 513 C LYS A 39 -4.961 -1.763 7.215 1.00 0.00 C ATOM 514 O LYS A 39 -5.926 -1.047 6.954 1.00 0.00 O ATOM 515 CB LYS A 39 -5.346 -4.071 6.332 1.00 0.00 C ATOM 516 CG LYS A 39 -4.046 -4.393 5.615 1.00 0.00 C ATOM 517 CD LYS A 39 -4.131 -5.715 4.870 1.00 0.00 C ATOM 518 CE LYS A 39 -2.755 -6.331 4.668 1.00 0.00 C ATOM 519 NZ LYS A 39 -2.418 -6.475 3.225 1.00 0.00 N ATOM 0 H LYS A 39 -7.170 -3.022 8.128 1.00 0.00 H new ATOM 0 HA LYS A 39 -4.260 -3.569 8.116 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -5.844 -5.003 6.600 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -6.008 -3.541 5.647 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -3.809 -3.594 4.913 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -3.231 -4.434 6.338 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -4.763 -6.407 5.427 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -4.606 -5.558 3.902 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -2.004 -5.710 5.156 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -2.721 -7.309 5.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -1.388 -6.569 3.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -2.885 -7.322 2.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -2.745 -5.635 2.707 1.00 0.00 H new ATOM 533 N VAL A 40 -3.709 -1.324 7.190 1.00 0.00 N ATOM 534 CA VAL A 40 -3.386 0.051 6.849 1.00 0.00 C ATOM 535 C VAL A 40 -3.069 0.176 5.358 1.00 0.00 C ATOM 536 O VAL A 40 -2.773 -0.817 4.694 1.00 0.00 O ATOM 537 CB VAL A 40 -2.192 0.549 7.702 1.00 0.00 C ATOM 538 CG1 VAL A 40 -1.186 1.329 6.868 1.00 0.00 C ATOM 539 CG2 VAL A 40 -2.688 1.384 8.874 1.00 0.00 C ATOM 0 H VAL A 40 -2.899 -1.905 7.403 1.00 0.00 H new ATOM 0 HA VAL A 40 -4.253 0.674 7.067 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.676 -0.328 8.092 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.365 1.660 7.504 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.796 0.690 6.076 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.675 2.197 6.426 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.837 1.726 9.463 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -3.240 2.246 8.499 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -3.343 0.779 9.501 1.00 0.00 H new ATOM 549 N LEU A 41 -3.130 1.400 4.838 1.00 0.00 N ATOM 550 CA LEU A 41 -2.844 1.642 3.432 1.00 0.00 C ATOM 551 C LEU A 41 -2.100 2.969 3.250 1.00 0.00 C ATOM 552 O LEU A 41 -2.399 3.959 3.917 1.00 0.00 O ATOM 553 CB LEU A 41 -4.148 1.625 2.615 1.00 0.00 C ATOM 554 CG LEU A 41 -4.453 2.892 1.806 1.00 0.00 C ATOM 555 CD1 LEU A 41 -3.784 2.831 0.439 1.00 0.00 C ATOM 556 CD2 LEU A 41 -5.955 3.077 1.661 1.00 0.00 C ATOM 0 H LEU A 41 -3.374 2.235 5.370 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.198 0.845 3.065 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -4.112 0.780 1.928 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.979 1.445 3.298 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.049 3.751 2.343 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.013 3.739 -0.119 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.705 2.745 0.566 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -4.155 1.965 -0.109 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -6.156 3.980 1.085 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.380 2.215 1.146 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.407 3.168 2.648 1.00 0.00 H new ATOM 568 N ILE A 42 -1.144 2.975 2.332 1.00 0.00 N ATOM 569 CA ILE A 42 -0.356 4.165 2.026 1.00 0.00 C ATOM 570 C ILE A 42 -0.352 4.396 0.530 1.00 0.00 C ATOM 571 O ILE A 42 0.293 3.661 -0.217 1.00 0.00 O ATOM 572 CB ILE A 42 1.105 4.040 2.509 1.00 0.00 C ATOM 573 CG1 ILE A 42 1.186 3.354 3.874 1.00 0.00 C ATOM 574 CG2 ILE A 42 1.762 5.409 2.571 1.00 0.00 C ATOM 575 CD1 ILE A 42 0.222 3.896 4.900 1.00 0.00 C ATOM 0 H ILE A 42 -0.891 2.157 1.778 1.00 0.00 H new ATOM 0 HA ILE A 42 -0.817 5.002 2.550 1.00 0.00 H new ATOM 0 HB ILE A 42 1.640 3.421 1.789 1.00 0.00 H new ATOM 0 HG12 ILE A 42 0.998 2.288 3.744 1.00 0.00 H new ATOM 0 HG13 ILE A 42 2.201 3.454 4.258 1.00 0.00 H new ATOM 0 HG21 ILE A 42 2.791 5.303 2.913 1.00 0.00 H new ATOM 0 HG22 ILE A 42 1.754 5.862 1.579 1.00 0.00 H new ATOM 0 HG23 ILE A 42 1.212 6.045 3.265 1.00 0.00 H new ATOM 0 HD11 ILE A 42 0.346 3.354 5.838 1.00 0.00 H new ATOM 0 HD12 ILE A 42 0.422 4.955 5.064 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -0.800 3.771 4.541 1.00 0.00 H new ATOM 587 N TYR A 43 -1.088 5.405 0.087 1.00 0.00 N ATOM 588 CA TYR A 43 -1.168 5.697 -1.334 1.00 0.00 C ATOM 589 C TYR A 43 -0.493 7.016 -1.681 1.00 0.00 C ATOM 590 O TYR A 43 -0.237 7.859 -0.812 1.00 0.00 O ATOM 591 CB TYR A 43 -2.622 5.702 -1.801 1.00 0.00 C ATOM 592 CG TYR A 43 -3.497 6.661 -1.042 1.00 0.00 C ATOM 593 CD1 TYR A 43 -3.336 8.025 -1.192 1.00 0.00 C ATOM 594 CD2 TYR A 43 -4.480 6.201 -0.182 1.00 0.00 C ATOM 595 CE1 TYR A 43 -4.134 8.918 -0.503 1.00 0.00 C ATOM 596 CE2 TYR A 43 -5.286 7.083 0.513 1.00 0.00 C ATOM 597 CZ TYR A 43 -5.109 8.441 0.349 1.00 0.00 C ATOM 598 OH TYR A 43 -5.908 9.324 1.038 1.00 0.00 O ATOM 0 H TYR A 43 -1.632 6.028 0.684 1.00 0.00 H new ATOM 0 HA TYR A 43 -0.632 4.906 -1.859 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -2.653 5.956 -2.861 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -3.030 4.696 -1.702 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -2.574 8.399 -1.859 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -4.619 5.138 -0.052 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -3.996 9.982 -0.630 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -6.050 6.711 1.180 1.00 0.00 H new ATOM 0 HH TYR A 43 -6.543 8.826 1.593 1.00 0.00 H new ATOM 608 N ASP A 44 -0.184 7.164 -2.965 1.00 0.00 N ATOM 609 CA ASP A 44 0.475 8.353 -3.480 1.00 0.00 C ATOM 610 C ASP A 44 -0.464 9.113 -4.410 1.00 0.00 C ATOM 611 O ASP A 44 -1.652 8.803 -4.489 1.00 0.00 O ATOM 612 CB ASP A 44 1.741 7.951 -4.233 1.00 0.00 C ATOM 613 CG ASP A 44 2.868 8.950 -4.054 1.00 0.00 C ATOM 614 OD1 ASP A 44 2.825 9.724 -3.074 1.00 0.00 O ATOM 615 OD2 ASP A 44 3.792 8.961 -4.894 1.00 0.00 O ATOM 0 H ASP A 44 -0.385 6.461 -3.676 1.00 0.00 H new ATOM 0 HA ASP A 44 0.742 9.002 -2.646 1.00 0.00 H new ATOM 0 HB2 ASP A 44 2.070 6.972 -3.886 1.00 0.00 H new ATOM 0 HB3 ASP A 44 1.512 7.853 -5.294 1.00 0.00 H new ATOM 620 N ARG A 45 0.073 10.100 -5.122 1.00 0.00 N ATOM 621 CA ARG A 45 -0.731 10.889 -6.055 1.00 0.00 C ATOM 622 C ARG A 45 -1.499 9.974 -7.005 1.00 0.00 C ATOM 623 O ARG A 45 -2.674 10.206 -7.292 1.00 0.00 O ATOM 624 CB ARG A 45 0.148 11.858 -6.853 1.00 0.00 C ATOM 625 CG ARG A 45 1.548 11.336 -7.130 1.00 0.00 C ATOM 626 CD ARG A 45 2.571 11.970 -6.200 1.00 0.00 C ATOM 627 NE ARG A 45 2.789 13.382 -6.504 1.00 0.00 N ATOM 628 CZ ARG A 45 3.403 13.818 -7.601 1.00 0.00 C ATOM 629 NH1 ARG A 45 3.864 12.957 -8.500 1.00 0.00 N ATOM 630 NH2 ARG A 45 3.557 15.120 -7.800 1.00 0.00 N ATOM 0 H ARG A 45 1.055 10.373 -5.073 1.00 0.00 H new ATOM 0 HA ARG A 45 -1.445 11.472 -5.473 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -0.341 12.079 -7.802 1.00 0.00 H new ATOM 0 HB3 ARG A 45 0.223 12.798 -6.307 1.00 0.00 H new ATOM 0 HG2 ARG A 45 1.565 10.253 -7.008 1.00 0.00 H new ATOM 0 HG3 ARG A 45 1.817 11.544 -8.166 1.00 0.00 H new ATOM 0 HD2 ARG A 45 2.234 11.870 -5.168 1.00 0.00 H new ATOM 0 HD3 ARG A 45 3.516 11.432 -6.280 1.00 0.00 H new ATOM 0 HE ARG A 45 2.451 14.075 -5.836 1.00 0.00 H new ATOM 0 HH11 ARG A 45 3.748 11.954 -8.352 1.00 0.00 H new ATOM 0 HH12 ARG A 45 4.334 13.298 -9.339 1.00 0.00 H new ATOM 0 HH21 ARG A 45 3.205 15.786 -7.112 1.00 0.00 H new ATOM 0 HH22 ARG A 45 4.028 15.455 -8.641 1.00 0.00 H new ATOM 644 N PHE A 46 -0.836 8.920 -7.474 1.00 0.00 N ATOM 645 CA PHE A 46 -1.471 7.962 -8.371 1.00 0.00 C ATOM 646 C PHE A 46 -2.332 6.997 -7.567 1.00 0.00 C ATOM 647 O PHE A 46 -3.448 6.664 -7.965 1.00 0.00 O ATOM 648 CB PHE A 46 -0.423 7.193 -9.180 1.00 0.00 C ATOM 649 CG PHE A 46 -0.399 7.566 -10.635 1.00 0.00 C ATOM 650 CD1 PHE A 46 0.205 8.742 -11.050 1.00 0.00 C ATOM 651 CD2 PHE A 46 -0.979 6.742 -11.589 1.00 0.00 C ATOM 652 CE1 PHE A 46 0.230 9.091 -12.388 1.00 0.00 C ATOM 653 CE2 PHE A 46 -0.956 7.086 -12.927 1.00 0.00 C ATOM 654 CZ PHE A 46 -0.351 8.262 -13.327 1.00 0.00 C ATOM 0 H PHE A 46 0.136 8.709 -7.248 1.00 0.00 H new ATOM 0 HA PHE A 46 -2.103 8.508 -9.072 1.00 0.00 H new ATOM 0 HB2 PHE A 46 0.562 7.375 -8.750 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -0.618 6.124 -9.090 1.00 0.00 H new ATOM 0 HD1 PHE A 46 0.662 9.394 -10.320 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -1.454 5.822 -11.282 1.00 0.00 H new ATOM 0 HE1 PHE A 46 0.703 10.011 -12.698 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -1.411 6.436 -13.660 1.00 0.00 H new ATOM 0 HZ PHE A 46 -0.333 8.532 -14.372 1.00 0.00 H new ATOM 664 N GLY A 47 -1.811 6.566 -6.419 1.00 0.00 N ATOM 665 CA GLY A 47 -2.554 5.659 -5.561 1.00 0.00 C ATOM 666 C GLY A 47 -3.942 6.185 -5.263 1.00 0.00 C ATOM 667 O GLY A 47 -4.925 5.448 -5.328 1.00 0.00 O ATOM 0 H GLY A 47 -0.890 6.829 -6.069 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.629 4.683 -6.041 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.011 5.514 -4.627 1.00 0.00 H new ATOM 671 N GLN A 48 -4.022 7.477 -4.964 1.00 0.00 N ATOM 672 CA GLN A 48 -5.300 8.118 -4.686 1.00 0.00 C ATOM 673 C GLN A 48 -6.079 8.290 -5.985 1.00 0.00 C ATOM 674 O GLN A 48 -7.310 8.305 -5.991 1.00 0.00 O ATOM 675 CB GLN A 48 -5.089 9.475 -4.009 1.00 0.00 C ATOM 676 CG GLN A 48 -4.247 10.445 -4.824 1.00 0.00 C ATOM 677 CD GLN A 48 -3.744 11.613 -3.999 1.00 0.00 C ATOM 678 OE1 GLN A 48 -3.085 11.427 -2.976 1.00 0.00 O ATOM 679 NE2 GLN A 48 -4.053 12.826 -4.441 1.00 0.00 N ATOM 0 H GLN A 48 -3.216 8.100 -4.908 1.00 0.00 H new ATOM 0 HA GLN A 48 -5.871 7.485 -4.006 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -6.061 9.928 -3.814 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -4.611 9.317 -3.042 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -3.397 9.913 -5.251 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -4.838 10.822 -5.658 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -4.602 12.933 -5.294 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -3.742 13.651 -3.927 1.00 0.00 H new ATOM 688 N ASP A 49 -5.341 8.403 -7.087 1.00 0.00 N ATOM 689 CA ASP A 49 -5.937 8.555 -8.408 1.00 0.00 C ATOM 690 C ASP A 49 -6.650 7.276 -8.838 1.00 0.00 C ATOM 691 O ASP A 49 -7.370 7.263 -9.836 1.00 0.00 O ATOM 692 CB ASP A 49 -4.855 8.905 -9.433 1.00 0.00 C ATOM 693 CG ASP A 49 -5.429 9.535 -10.687 1.00 0.00 C ATOM 694 OD1 ASP A 49 -5.870 10.702 -10.617 1.00 0.00 O ATOM 695 OD2 ASP A 49 -5.439 8.862 -11.738 1.00 0.00 O ATOM 0 H ASP A 49 -4.321 8.392 -7.088 1.00 0.00 H new ATOM 0 HA ASP A 49 -6.669 9.361 -8.358 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -4.138 9.590 -8.981 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -4.307 8.002 -9.702 1.00 0.00 H new ATOM 700 N ILE A 50 -6.429 6.196 -8.094 1.00 0.00 N ATOM 701 CA ILE A 50 -7.033 4.909 -8.410 1.00 0.00 C ATOM 702 C ILE A 50 -7.921 4.412 -7.276 1.00 0.00 C ATOM 703 O ILE A 50 -9.011 3.890 -7.509 1.00 0.00 O ATOM 704 CB ILE A 50 -5.942 3.861 -8.684 1.00 0.00 C ATOM 705 CG1 ILE A 50 -5.026 4.338 -9.811 1.00 0.00 C ATOM 706 CG2 ILE A 50 -6.554 2.508 -9.015 1.00 0.00 C ATOM 707 CD1 ILE A 50 -3.557 4.219 -9.484 1.00 0.00 C ATOM 0 H ILE A 50 -5.834 6.189 -7.266 1.00 0.00 H new ATOM 0 HA ILE A 50 -7.648 5.050 -9.299 1.00 0.00 H new ATOM 0 HB ILE A 50 -5.345 3.739 -7.780 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -5.238 3.760 -10.710 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -5.256 5.379 -10.040 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -5.760 1.786 -9.204 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -7.161 2.168 -8.176 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -7.180 2.599 -9.902 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -2.966 4.575 -10.328 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -3.330 4.820 -8.603 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -3.312 3.176 -9.284 1.00 0.00 H new ATOM 719 N ILE A 51 -7.442 4.563 -6.048 1.00 0.00 N ATOM 720 CA ILE A 51 -8.191 4.114 -4.883 1.00 0.00 C ATOM 721 C ILE A 51 -9.497 4.893 -4.732 1.00 0.00 C ATOM 722 O ILE A 51 -10.550 4.311 -4.487 1.00 0.00 O ATOM 723 CB ILE A 51 -7.339 4.223 -3.587 1.00 0.00 C ATOM 724 CG1 ILE A 51 -7.432 2.925 -2.779 1.00 0.00 C ATOM 725 CG2 ILE A 51 -7.760 5.414 -2.729 1.00 0.00 C ATOM 726 CD1 ILE A 51 -6.105 2.467 -2.212 1.00 0.00 C ATOM 0 H ILE A 51 -6.541 4.991 -5.834 1.00 0.00 H new ATOM 0 HA ILE A 51 -8.437 3.064 -5.039 1.00 0.00 H new ATOM 0 HB ILE A 51 -6.303 4.384 -3.887 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -8.138 3.066 -1.961 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -7.836 2.138 -3.416 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -7.140 5.454 -1.833 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -7.635 6.335 -3.298 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -8.806 5.304 -2.442 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -6.248 1.543 -1.652 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -5.402 2.293 -3.027 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -5.708 3.235 -1.548 1.00 0.00 H new ATOM 738 N SER A 52 -9.421 6.209 -4.876 1.00 0.00 N ATOM 739 CA SER A 52 -10.599 7.059 -4.745 1.00 0.00 C ATOM 740 C SER A 52 -11.680 6.697 -5.770 1.00 0.00 C ATOM 741 O SER A 52 -12.804 6.363 -5.400 1.00 0.00 O ATOM 742 CB SER A 52 -10.210 8.531 -4.894 1.00 0.00 C ATOM 743 OG SER A 52 -11.346 9.337 -5.155 1.00 0.00 O ATOM 0 H SER A 52 -8.558 6.712 -5.083 1.00 0.00 H new ATOM 0 HA SER A 52 -11.014 6.893 -3.751 1.00 0.00 H new ATOM 0 HB2 SER A 52 -9.719 8.874 -3.983 1.00 0.00 H new ATOM 0 HB3 SER A 52 -9.490 8.639 -5.705 1.00 0.00 H new ATOM 0 HG SER A 52 -11.070 10.273 -5.244 1.00 0.00 H new ATOM 749 N PRO A 53 -11.369 6.768 -7.078 1.00 0.00 N ATOM 750 CA PRO A 53 -12.337 6.454 -8.131 1.00 0.00 C ATOM 751 C PRO A 53 -13.079 5.144 -7.875 1.00 0.00 C ATOM 752 O PRO A 53 -14.199 4.953 -8.347 1.00 0.00 O ATOM 753 CB PRO A 53 -11.487 6.349 -9.408 1.00 0.00 C ATOM 754 CG PRO A 53 -10.062 6.484 -8.974 1.00 0.00 C ATOM 755 CD PRO A 53 -10.074 7.169 -7.638 1.00 0.00 C ATOM 0 HA PRO A 53 -13.115 7.215 -8.191 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -11.653 5.395 -9.908 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -11.753 7.132 -10.118 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -9.586 5.506 -8.902 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -9.491 7.063 -9.700 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -9.244 6.845 -7.010 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -9.994 8.251 -7.738 1.00 0.00 H new ATOM 763 N LEU A 54 -12.452 4.246 -7.121 1.00 0.00 N ATOM 764 CA LEU A 54 -13.062 2.959 -6.801 1.00 0.00 C ATOM 765 C LEU A 54 -13.172 2.764 -5.289 1.00 0.00 C ATOM 766 O LEU A 54 -13.310 1.639 -4.810 1.00 0.00 O ATOM 767 CB LEU A 54 -12.243 1.818 -7.410 1.00 0.00 C ATOM 768 CG LEU A 54 -11.756 2.059 -8.841 1.00 0.00 C ATOM 769 CD1 LEU A 54 -10.303 1.634 -8.993 1.00 0.00 C ATOM 770 CD2 LEU A 54 -12.635 1.314 -9.835 1.00 0.00 C ATOM 0 H LEU A 54 -11.524 4.385 -6.721 1.00 0.00 H new ATOM 0 HA LEU A 54 -14.066 2.949 -7.225 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -11.377 1.634 -6.774 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -12.847 0.911 -7.396 1.00 0.00 H new ATOM 0 HG LEU A 54 -11.824 3.127 -9.050 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -9.977 1.814 -10.017 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -9.682 2.211 -8.308 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -10.208 0.573 -8.763 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -12.275 1.496 -10.847 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -12.598 0.245 -9.624 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -13.663 1.666 -9.747 1.00 0.00 H new ATOM 782 N LEU A 55 -13.089 3.861 -4.541 1.00 0.00 N ATOM 783 CA LEU A 55 -13.159 3.801 -3.089 1.00 0.00 C ATOM 784 C LEU A 55 -13.265 5.199 -2.478 1.00 0.00 C ATOM 785 O LEU A 55 -12.854 6.183 -3.085 1.00 0.00 O ATOM 786 CB LEU A 55 -11.919 3.092 -2.569 1.00 0.00 C ATOM 787 CG LEU A 55 -12.191 2.007 -1.547 1.00 0.00 C ATOM 788 CD1 LEU A 55 -11.107 0.949 -1.616 1.00 0.00 C ATOM 789 CD2 LEU A 55 -12.275 2.623 -0.168 1.00 0.00 C ATOM 0 H LEU A 55 -12.973 4.801 -4.919 1.00 0.00 H new ATOM 0 HA LEU A 55 -14.054 3.250 -2.800 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -11.388 2.652 -3.413 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -11.254 3.832 -2.125 1.00 0.00 H new ATOM 0 HG LEU A 55 -13.144 1.524 -1.765 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -11.309 0.172 -0.878 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -11.092 0.508 -2.613 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -10.139 1.405 -1.407 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -12.471 1.843 0.568 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -11.332 3.116 0.068 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -13.083 3.354 -0.145 1.00 0.00 H new ATOM 801 N SER A 56 -13.814 5.283 -1.270 1.00 0.00 N ATOM 802 CA SER A 56 -13.959 6.570 -0.594 1.00 0.00 C ATOM 803 C SER A 56 -13.433 6.503 0.838 1.00 0.00 C ATOM 804 O SER A 56 -12.968 5.457 1.292 1.00 0.00 O ATOM 805 CB SER A 56 -15.423 7.020 -0.600 1.00 0.00 C ATOM 806 OG SER A 56 -15.544 8.356 -1.056 1.00 0.00 O ATOM 0 H SER A 56 -14.163 4.483 -0.742 1.00 0.00 H new ATOM 0 HA SER A 56 -13.365 7.302 -1.141 1.00 0.00 H new ATOM 0 HB2 SER A 56 -16.007 6.359 -1.241 1.00 0.00 H new ATOM 0 HB3 SER A 56 -15.836 6.937 0.405 1.00 0.00 H new ATOM 0 HG SER A 56 -16.488 8.619 -1.052 1.00 0.00 H new ATOM 812 N VAL A 57 -13.508 7.629 1.542 1.00 0.00 N ATOM 813 CA VAL A 57 -13.037 7.712 2.922 1.00 0.00 C ATOM 814 C VAL A 57 -13.866 6.830 3.844 1.00 0.00 C ATOM 815 O VAL A 57 -13.327 6.060 4.638 1.00 0.00 O ATOM 816 CB VAL A 57 -13.093 9.158 3.451 1.00 0.00 C ATOM 817 CG1 VAL A 57 -12.175 9.326 4.651 1.00 0.00 C ATOM 818 CG2 VAL A 57 -12.737 10.151 2.356 1.00 0.00 C ATOM 0 H VAL A 57 -13.892 8.501 1.178 1.00 0.00 H new ATOM 0 HA VAL A 57 -12.003 7.366 2.917 1.00 0.00 H new ATOM 0 HB VAL A 57 -14.115 9.362 3.771 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -12.229 10.354 5.009 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -12.487 8.648 5.445 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -11.150 9.097 4.360 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -12.784 11.164 2.755 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -11.728 9.949 1.996 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -13.443 10.052 1.532 1.00 0.00 H new ATOM 828 N LYS A 58 -15.180 6.960 3.741 1.00 0.00 N ATOM 829 CA LYS A 58 -16.091 6.182 4.576 1.00 0.00 C ATOM 830 C LYS A 58 -16.047 4.704 4.212 1.00 0.00 C ATOM 831 O LYS A 58 -16.199 3.842 5.076 1.00 0.00 O ATOM 832 CB LYS A 58 -17.520 6.715 4.450 1.00 0.00 C ATOM 833 CG LYS A 58 -17.892 7.717 5.532 1.00 0.00 C ATOM 834 CD LYS A 58 -19.258 7.414 6.129 1.00 0.00 C ATOM 835 CE LYS A 58 -19.488 8.182 7.421 1.00 0.00 C ATOM 836 NZ LYS A 58 -19.698 7.270 8.580 1.00 0.00 N ATOM 0 H LYS A 58 -15.642 7.595 3.090 1.00 0.00 H new ATOM 0 HA LYS A 58 -15.765 6.286 5.611 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -17.639 7.185 3.474 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -18.216 5.877 4.487 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -17.138 7.700 6.319 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -17.892 8.723 5.113 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -20.035 7.671 5.409 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -19.342 6.344 6.321 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -18.631 8.827 7.617 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -20.356 8.831 7.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -19.851 7.833 9.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -20.530 6.672 8.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -18.859 6.668 8.704 1.00 0.00 H new ATOM 850 N GLU A 59 -15.816 4.412 2.938 1.00 0.00 N ATOM 851 CA GLU A 59 -15.730 3.024 2.494 1.00 0.00 C ATOM 852 C GLU A 59 -14.394 2.445 2.931 1.00 0.00 C ATOM 853 O GLU A 59 -14.278 1.254 3.219 1.00 0.00 O ATOM 854 CB GLU A 59 -15.892 2.892 0.971 1.00 0.00 C ATOM 855 CG GLU A 59 -16.360 4.158 0.275 1.00 0.00 C ATOM 856 CD GLU A 59 -17.686 4.666 0.809 1.00 0.00 C ATOM 857 OE1 GLU A 59 -18.150 4.144 1.844 1.00 0.00 O ATOM 858 OE2 GLU A 59 -18.260 5.587 0.191 1.00 0.00 O ATOM 0 H GLU A 59 -15.686 5.106 2.202 1.00 0.00 H new ATOM 0 HA GLU A 59 -16.549 2.469 2.952 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -14.937 2.588 0.542 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -16.604 2.093 0.762 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -15.604 4.934 0.395 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -16.453 3.966 -0.794 1.00 0.00 H new ATOM 865 N LEU A 60 -13.388 3.313 2.995 1.00 0.00 N ATOM 866 CA LEU A 60 -12.056 2.914 3.416 1.00 0.00 C ATOM 867 C LEU A 60 -12.099 2.314 4.814 1.00 0.00 C ATOM 868 O LEU A 60 -11.598 1.214 5.045 1.00 0.00 O ATOM 869 CB LEU A 60 -11.115 4.116 3.396 1.00 0.00 C ATOM 870 CG LEU A 60 -10.472 4.403 2.043 1.00 0.00 C ATOM 871 CD1 LEU A 60 -10.124 5.877 1.913 1.00 0.00 C ATOM 872 CD2 LEU A 60 -9.242 3.532 1.853 1.00 0.00 C ATOM 0 H LEU A 60 -13.475 4.301 2.759 1.00 0.00 H new ATOM 0 HA LEU A 60 -11.685 2.160 2.721 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -11.670 4.999 3.713 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -10.326 3.954 4.130 1.00 0.00 H new ATOM 0 HG LEU A 60 -11.188 4.161 1.258 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -9.667 6.058 0.940 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -11.031 6.474 2.005 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -9.424 6.157 2.701 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -8.791 3.745 0.884 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -8.521 3.743 2.643 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -9.530 2.482 1.896 1.00 0.00 H new ATOM 884 N ARG A 61 -12.710 3.042 5.744 1.00 0.00 N ATOM 885 CA ARG A 61 -12.822 2.575 7.119 1.00 0.00 C ATOM 886 C ARG A 61 -13.913 1.515 7.246 1.00 0.00 C ATOM 887 O ARG A 61 -13.896 0.701 8.169 1.00 0.00 O ATOM 888 CB ARG A 61 -13.120 3.746 8.055 1.00 0.00 C ATOM 889 CG ARG A 61 -12.075 4.850 7.999 1.00 0.00 C ATOM 890 CD ARG A 61 -11.417 5.068 9.353 1.00 0.00 C ATOM 891 NE ARG A 61 -12.382 5.475 10.371 1.00 0.00 N ATOM 892 CZ ARG A 61 -12.047 6.062 11.519 1.00 0.00 C ATOM 893 NH1 ARG A 61 -10.773 6.310 11.798 1.00 0.00 N ATOM 894 NH2 ARG A 61 -12.988 6.400 12.389 1.00 0.00 N ATOM 0 H ARG A 61 -13.133 3.954 5.570 1.00 0.00 H new ATOM 0 HA ARG A 61 -11.870 2.127 7.403 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -14.094 4.165 7.801 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -13.190 3.375 9.077 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -11.314 4.595 7.261 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -12.542 5.777 7.667 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -10.923 4.149 9.668 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -10.643 5.830 9.262 1.00 0.00 H new ATOM 0 HE ARG A 61 -13.371 5.299 10.192 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -10.045 6.051 11.132 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -10.522 6.760 12.678 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -13.968 6.211 12.179 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -12.732 6.849 13.268 1.00 0.00 H new ATOM 908 N ASP A 62 -14.861 1.533 6.313 1.00 0.00 N ATOM 909 CA ASP A 62 -15.961 0.576 6.321 1.00 0.00 C ATOM 910 C ASP A 62 -15.500 -0.808 5.867 1.00 0.00 C ATOM 911 O ASP A 62 -16.198 -1.799 6.081 1.00 0.00 O ATOM 912 CB ASP A 62 -17.095 1.067 5.420 1.00 0.00 C ATOM 913 CG ASP A 62 -18.313 0.166 5.482 1.00 0.00 C ATOM 914 OD1 ASP A 62 -19.063 0.250 6.478 1.00 0.00 O ATOM 915 OD2 ASP A 62 -18.517 -0.623 4.536 1.00 0.00 O ATOM 0 H ASP A 62 -14.889 2.200 5.542 1.00 0.00 H new ATOM 0 HA ASP A 62 -16.323 0.494 7.346 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -17.378 2.077 5.715 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -16.740 1.123 4.391 1.00 0.00 H new ATOM 920 N MET A 63 -14.326 -0.878 5.242 1.00 0.00 N ATOM 921 CA MET A 63 -13.796 -2.153 4.771 1.00 0.00 C ATOM 922 C MET A 63 -12.897 -2.793 5.822 1.00 0.00 C ATOM 923 O MET A 63 -12.647 -3.997 5.787 1.00 0.00 O ATOM 924 CB MET A 63 -13.004 -1.959 3.480 1.00 0.00 C ATOM 925 CG MET A 63 -13.869 -1.658 2.267 1.00 0.00 C ATOM 926 SD MET A 63 -12.893 -1.204 0.820 1.00 0.00 S ATOM 927 CE MET A 63 -11.674 -0.124 1.565 1.00 0.00 C ATOM 0 H MET A 63 -13.729 -0.073 5.052 1.00 0.00 H new ATOM 0 HA MET A 63 -14.643 -2.813 4.581 1.00 0.00 H new ATOM 0 HB2 MET A 63 -12.294 -1.143 3.620 1.00 0.00 H new ATOM 0 HB3 MET A 63 -12.421 -2.859 3.284 1.00 0.00 H new ATOM 0 HG2 MET A 63 -14.477 -2.532 2.032 1.00 0.00 H new ATOM 0 HG3 MET A 63 -14.556 -0.847 2.507 1.00 0.00 H new ATOM 0 HE1 MET A 63 -11.217 0.496 0.794 1.00 0.00 H new ATOM 0 HE2 MET A 63 -12.157 0.514 2.305 1.00 0.00 H new ATOM 0 HE3 MET A 63 -10.905 -0.724 2.051 1.00 0.00 H new ATOM 937 N GLY A 64 -12.411 -1.980 6.753 1.00 0.00 N ATOM 938 CA GLY A 64 -11.544 -2.489 7.794 1.00 0.00 C ATOM 939 C GLY A 64 -10.157 -1.883 7.741 1.00 0.00 C ATOM 940 O GLY A 64 -9.168 -2.560 8.019 1.00 0.00 O ATOM 0 H GLY A 64 -12.603 -0.979 6.804 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -11.990 -2.283 8.767 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -11.468 -3.572 7.701 1.00 0.00 H new ATOM 944 N ILE A 65 -10.082 -0.605 7.383 1.00 0.00 N ATOM 945 CA ILE A 65 -8.801 0.081 7.299 1.00 0.00 C ATOM 946 C ILE A 65 -8.466 0.786 8.613 1.00 0.00 C ATOM 947 O ILE A 65 -9.263 1.566 9.135 1.00 0.00 O ATOM 948 CB ILE A 65 -8.772 1.088 6.125 1.00 0.00 C ATOM 949 CG1 ILE A 65 -7.405 1.062 5.448 1.00 0.00 C ATOM 950 CG2 ILE A 65 -9.110 2.503 6.583 1.00 0.00 C ATOM 951 CD1 ILE A 65 -7.320 1.965 4.239 1.00 0.00 C ATOM 0 H ILE A 65 -10.889 -0.028 7.148 1.00 0.00 H new ATOM 0 HA ILE A 65 -8.041 -0.678 7.111 1.00 0.00 H new ATOM 0 HB ILE A 65 -9.536 0.786 5.408 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -6.644 1.360 6.170 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -7.176 0.040 5.146 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -9.079 3.179 5.729 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -10.109 2.515 7.019 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -8.384 2.827 7.329 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -6.322 1.899 3.805 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -8.058 1.654 3.500 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -7.518 2.994 4.539 1.00 0.00 H new ATOM 963 N THR A 66 -7.284 0.500 9.140 1.00 0.00 N ATOM 964 CA THR A 66 -6.839 1.097 10.396 1.00 0.00 C ATOM 965 C THR A 66 -6.309 2.513 10.182 1.00 0.00 C ATOM 966 O THR A 66 -6.318 3.330 11.103 1.00 0.00 O ATOM 967 CB THR A 66 -5.759 0.229 11.057 1.00 0.00 C ATOM 968 OG1 THR A 66 -4.934 1.009 11.905 1.00 0.00 O ATOM 969 CG2 THR A 66 -4.858 -0.478 10.067 1.00 0.00 C ATOM 0 H THR A 66 -6.613 -0.142 8.718 1.00 0.00 H new ATOM 0 HA THR A 66 -7.704 1.151 11.057 1.00 0.00 H new ATOM 0 HB THR A 66 -6.309 -0.524 11.621 1.00 0.00 H new ATOM 0 HG1 THR A 66 -4.254 0.436 12.317 1.00 0.00 H new ATOM 0 HG21 THR A 66 -4.120 -1.072 10.606 1.00 0.00 H new ATOM 0 HG22 THR A 66 -5.457 -1.132 9.433 1.00 0.00 H new ATOM 0 HG23 THR A 66 -4.348 0.260 9.448 1.00 0.00 H new ATOM 977 N LEU A 67 -5.844 2.804 8.970 1.00 0.00 N ATOM 978 CA LEU A 67 -5.311 4.127 8.664 1.00 0.00 C ATOM 979 C LEU A 67 -4.903 4.229 7.198 1.00 0.00 C ATOM 980 O LEU A 67 -4.282 3.321 6.646 1.00 0.00 O ATOM 981 CB LEU A 67 -4.119 4.440 9.582 1.00 0.00 C ATOM 982 CG LEU A 67 -3.173 5.558 9.120 1.00 0.00 C ATOM 983 CD1 LEU A 67 -2.236 5.058 8.031 1.00 0.00 C ATOM 984 CD2 LEU A 67 -3.957 6.771 8.639 1.00 0.00 C ATOM 0 H LEU A 67 -5.826 2.147 8.190 1.00 0.00 H new ATOM 0 HA LEU A 67 -6.095 4.863 8.842 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -4.507 4.706 10.566 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -3.535 3.528 9.705 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.570 5.862 9.976 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -1.575 5.867 7.720 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -1.640 4.231 8.416 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.820 4.717 7.176 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.264 7.548 8.317 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -4.594 6.484 7.802 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -4.575 7.150 9.452 1.00 0.00 H new ATOM 996 N HIS A 68 -5.254 5.349 6.584 1.00 0.00 N ATOM 997 CA HIS A 68 -4.929 5.601 5.186 1.00 0.00 C ATOM 998 C HIS A 68 -4.387 7.016 5.020 1.00 0.00 C ATOM 999 O HIS A 68 -5.121 7.989 5.190 1.00 0.00 O ATOM 1000 CB HIS A 68 -6.168 5.415 4.311 1.00 0.00 C ATOM 1001 CG HIS A 68 -7.347 6.218 4.767 1.00 0.00 C ATOM 1002 ND1 HIS A 68 -8.095 5.891 5.878 1.00 0.00 N ATOM 1003 CD2 HIS A 68 -7.906 7.342 4.257 1.00 0.00 C ATOM 1004 CE1 HIS A 68 -9.063 6.777 6.032 1.00 0.00 C ATOM 1005 NE2 HIS A 68 -8.969 7.668 5.062 1.00 0.00 N ATOM 0 H HIS A 68 -5.769 6.105 7.036 1.00 0.00 H new ATOM 0 HA HIS A 68 -4.166 4.888 4.873 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -5.924 5.693 3.286 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -6.440 4.359 4.299 1.00 0.00 H new ATOM 0 HD1 HIS A 68 -7.927 5.090 6.486 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -7.577 7.881 3.381 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -9.805 6.773 6.817 1.00 0.00 H new ATOM 1014 N LEU A 69 -3.101 7.134 4.702 1.00 0.00 N ATOM 1015 CA LEU A 69 -2.494 8.449 4.536 1.00 0.00 C ATOM 1016 C LEU A 69 -1.521 8.497 3.356 1.00 0.00 C ATOM 1017 O LEU A 69 -1.186 7.471 2.755 1.00 0.00 O ATOM 1018 CB LEU A 69 -1.809 8.884 5.842 1.00 0.00 C ATOM 1019 CG LEU A 69 -0.393 8.349 6.085 1.00 0.00 C ATOM 1020 CD1 LEU A 69 -0.305 6.865 5.769 1.00 0.00 C ATOM 1021 CD2 LEU A 69 0.615 9.135 5.266 1.00 0.00 C ATOM 0 H LEU A 69 -2.468 6.348 4.556 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.292 9.155 4.305 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.769 9.973 5.860 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.438 8.574 6.676 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.158 8.477 7.142 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.711 6.514 5.951 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.998 6.316 6.406 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.564 6.700 4.723 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.616 8.744 5.449 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.376 9.040 4.207 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.578 10.186 5.554 1.00 0.00 H new ATOM 1033 N LEU A 70 -1.096 9.715 3.030 1.00 0.00 N ATOM 1034 CA LEU A 70 -0.179 9.968 1.924 1.00 0.00 C ATOM 1035 C LEU A 70 1.273 9.820 2.353 1.00 0.00 C ATOM 1036 O LEU A 70 1.699 10.410 3.344 1.00 0.00 O ATOM 1037 CB LEU A 70 -0.382 11.392 1.401 1.00 0.00 C ATOM 1038 CG LEU A 70 -1.246 11.528 0.152 1.00 0.00 C ATOM 1039 CD1 LEU A 70 -1.108 12.928 -0.425 1.00 0.00 C ATOM 1040 CD2 LEU A 70 -0.863 10.484 -0.886 1.00 0.00 C ATOM 0 H LEU A 70 -1.380 10.558 3.529 1.00 0.00 H new ATOM 0 HA LEU A 70 -0.394 9.234 1.147 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -0.830 11.989 2.195 1.00 0.00 H new ATOM 0 HB3 LEU A 70 0.597 11.824 1.191 1.00 0.00 H new ATOM 0 HG LEU A 70 -2.287 11.362 0.430 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -1.728 13.017 -1.317 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -1.430 13.660 0.315 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -0.066 13.112 -0.688 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -1.492 10.600 -1.768 1.00 0.00 H new ATOM 0 HD22 LEU A 70 0.182 10.616 -1.166 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -1.004 9.487 -0.468 1.00 0.00 H new ATOM 1052 N LEU A 71 2.046 9.067 1.583 1.00 0.00 N ATOM 1053 CA LEU A 71 3.465 8.892 1.893 1.00 0.00 C ATOM 1054 C LEU A 71 4.142 10.243 2.099 1.00 0.00 C ATOM 1055 O LEU A 71 5.158 10.348 2.787 1.00 0.00 O ATOM 1056 CB LEU A 71 4.168 8.136 0.775 1.00 0.00 C ATOM 1057 CG LEU A 71 3.398 6.942 0.238 1.00 0.00 C ATOM 1058 CD1 LEU A 71 2.887 7.229 -1.158 1.00 0.00 C ATOM 1059 CD2 LEU A 71 4.263 5.690 0.265 1.00 0.00 C ATOM 0 H LEU A 71 1.725 8.573 0.751 1.00 0.00 H new ATOM 0 HA LEU A 71 3.538 8.314 2.815 1.00 0.00 H new ATOM 0 HB2 LEU A 71 4.362 8.826 -0.046 1.00 0.00 H new ATOM 0 HB3 LEU A 71 5.137 7.793 1.139 1.00 0.00 H new ATOM 0 HG LEU A 71 2.536 6.763 0.881 1.00 0.00 H new ATOM 0 HD11 LEU A 71 2.337 6.364 -1.529 1.00 0.00 H new ATOM 0 HD12 LEU A 71 2.226 8.095 -1.133 1.00 0.00 H new ATOM 0 HD13 LEU A 71 3.729 7.435 -1.819 1.00 0.00 H new ATOM 0 HD21 LEU A 71 3.693 4.846 -0.124 1.00 0.00 H new ATOM 0 HD22 LEU A 71 5.148 5.846 -0.352 1.00 0.00 H new ATOM 0 HD23 LEU A 71 4.568 5.481 1.290 1.00 0.00 H new ATOM 1071 N HIS A 72 3.561 11.272 1.496 1.00 0.00 N ATOM 1072 CA HIS A 72 4.082 12.628 1.599 1.00 0.00 C ATOM 1073 C HIS A 72 3.402 13.381 2.736 1.00 0.00 C ATOM 1074 O HIS A 72 3.101 14.569 2.617 1.00 0.00 O ATOM 1075 CB HIS A 72 3.865 13.371 0.283 1.00 0.00 C ATOM 1076 CG HIS A 72 4.824 14.501 0.065 1.00 0.00 C ATOM 1077 ND1 HIS A 72 4.584 15.532 -0.820 1.00 0.00 N ATOM 1078 CD2 HIS A 72 6.031 14.761 0.623 1.00 0.00 C ATOM 1079 CE1 HIS A 72 5.601 16.375 -0.798 1.00 0.00 C ATOM 1080 NE2 HIS A 72 6.491 15.930 0.070 1.00 0.00 N ATOM 0 H HIS A 72 2.720 11.191 0.925 1.00 0.00 H new ATOM 0 HA HIS A 72 5.150 12.572 1.810 1.00 0.00 H new ATOM 0 HB2 HIS A 72 3.956 12.665 -0.542 1.00 0.00 H new ATOM 0 HB3 HIS A 72 2.847 13.760 0.259 1.00 0.00 H new ATOM 0 HD2 HIS A 72 6.537 14.160 1.365 1.00 0.00 H new ATOM 0 HE1 HIS A 72 5.689 17.275 -1.389 1.00 0.00 H new ATOM 0 HE2 HIS A 72 7.378 16.382 0.294 1.00 0.00 H new ATOM 1089 N SER A 73 3.159 12.680 3.834 1.00 0.00 N ATOM 1090 CA SER A 73 2.510 13.278 4.994 1.00 0.00 C ATOM 1091 C SER A 73 3.053 12.680 6.288 1.00 0.00 C ATOM 1092 O SER A 73 3.946 11.833 6.265 1.00 0.00 O ATOM 1093 CB SER A 73 0.996 13.070 4.919 1.00 0.00 C ATOM 1094 OG SER A 73 0.357 14.184 4.319 1.00 0.00 O ATOM 0 H SER A 73 3.401 11.696 3.947 1.00 0.00 H new ATOM 0 HA SER A 73 2.724 14.347 4.990 1.00 0.00 H new ATOM 0 HB2 SER A 73 0.778 12.169 4.346 1.00 0.00 H new ATOM 0 HB3 SER A 73 0.597 12.914 5.921 1.00 0.00 H new ATOM 0 HG SER A 73 0.970 14.609 3.683 1.00 0.00 H new ATOM 1100 N ASP A 74 2.507 13.123 7.416 1.00 0.00 N ATOM 1101 CA ASP A 74 2.937 12.626 8.717 1.00 0.00 C ATOM 1102 C ASP A 74 2.285 11.282 9.022 1.00 0.00 C ATOM 1103 O ASP A 74 1.104 11.216 9.364 1.00 0.00 O ATOM 1104 CB ASP A 74 2.594 13.633 9.815 1.00 0.00 C ATOM 1105 CG ASP A 74 1.142 14.068 9.768 1.00 0.00 C ATOM 1106 OD1 ASP A 74 0.692 14.520 8.694 1.00 0.00 O ATOM 1107 OD2 ASP A 74 0.455 13.957 10.805 1.00 0.00 O ATOM 0 H ASP A 74 1.767 13.824 7.455 1.00 0.00 H new ATOM 0 HA ASP A 74 4.018 12.491 8.688 1.00 0.00 H new ATOM 0 HB2 ASP A 74 2.807 13.191 10.789 1.00 0.00 H new ATOM 0 HB3 ASP A 74 3.236 14.508 9.715 1.00 0.00 H new ATOM 1112 N ARG A 75 3.060 10.211 8.891 1.00 0.00 N ATOM 1113 CA ARG A 75 2.556 8.868 9.149 1.00 0.00 C ATOM 1114 C ARG A 75 2.523 8.572 10.643 1.00 0.00 C ATOM 1115 O ARG A 75 3.451 8.914 11.376 1.00 0.00 O ATOM 1116 CB ARG A 75 3.422 7.828 8.437 1.00 0.00 C ATOM 1117 CG ARG A 75 3.715 8.169 6.985 1.00 0.00 C ATOM 1118 CD ARG A 75 3.386 7.009 6.059 1.00 0.00 C ATOM 1119 NE ARG A 75 4.200 7.030 4.849 1.00 0.00 N ATOM 1120 CZ ARG A 75 5.523 6.876 4.843 1.00 0.00 C ATOM 1121 NH1 ARG A 75 6.181 6.688 5.980 1.00 0.00 N ATOM 1122 NH2 ARG A 75 6.189 6.906 3.698 1.00 0.00 N ATOM 0 H ARG A 75 4.039 10.247 8.608 1.00 0.00 H new ATOM 0 HA ARG A 75 1.538 8.814 8.763 1.00 0.00 H new ATOM 0 HB2 ARG A 75 4.365 7.724 8.974 1.00 0.00 H new ATOM 0 HB3 ARG A 75 2.922 6.860 8.480 1.00 0.00 H new ATOM 0 HG2 ARG A 75 3.135 9.044 6.692 1.00 0.00 H new ATOM 0 HG3 ARG A 75 4.767 8.433 6.878 1.00 0.00 H new ATOM 0 HD2 ARG A 75 3.544 6.068 6.586 1.00 0.00 H new ATOM 0 HD3 ARG A 75 2.331 7.049 5.787 1.00 0.00 H new ATOM 0 HE ARG A 75 3.729 7.171 3.955 1.00 0.00 H new ATOM 0 HH11 ARG A 75 5.674 6.661 6.864 1.00 0.00 H new ATOM 0 HH12 ARG A 75 7.194 6.571 5.969 1.00 0.00 H new ATOM 0 HH21 ARG A 75 5.689 7.047 2.820 1.00 0.00 H new ATOM 0 HH22 ARG A 75 7.202 6.788 3.694 1.00 0.00 H new ATOM 1136 N ASP A 76 1.451 7.926 11.087 1.00 0.00 N ATOM 1137 CA ASP A 76 1.300 7.574 12.492 1.00 0.00 C ATOM 1138 C ASP A 76 1.945 6.221 12.770 1.00 0.00 C ATOM 1139 O ASP A 76 2.043 5.379 11.878 1.00 0.00 O ATOM 1140 CB ASP A 76 -0.180 7.535 12.877 1.00 0.00 C ATOM 1141 CG ASP A 76 -0.818 8.910 12.861 1.00 0.00 C ATOM 1142 OD1 ASP A 76 -1.154 9.396 11.760 1.00 0.00 O ATOM 1143 OD2 ASP A 76 -0.981 9.502 13.949 1.00 0.00 O ATOM 0 H ASP A 76 0.674 7.636 10.493 1.00 0.00 H new ATOM 0 HA ASP A 76 1.799 8.334 13.093 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -0.715 6.881 12.188 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -0.282 7.102 13.872 1.00 0.00 H new ATOM 1148 N PRO A 77 2.402 5.990 14.011 1.00 0.00 N ATOM 1149 CA PRO A 77 3.042 4.733 14.385 1.00 0.00 C ATOM 1150 C PRO A 77 2.037 3.646 14.752 1.00 0.00 C ATOM 1151 O PRO A 77 1.384 3.713 15.794 1.00 0.00 O ATOM 1152 CB PRO A 77 3.867 5.132 15.605 1.00 0.00 C ATOM 1153 CG PRO A 77 3.077 6.221 16.251 1.00 0.00 C ATOM 1154 CD PRO A 77 2.340 6.936 15.143 1.00 0.00 C ATOM 0 HA PRO A 77 3.623 4.305 13.568 1.00 0.00 H new ATOM 0 HB2 PRO A 77 4.008 4.289 16.282 1.00 0.00 H new ATOM 0 HB3 PRO A 77 4.859 5.479 15.317 1.00 0.00 H new ATOM 0 HG2 PRO A 77 2.378 5.812 16.980 1.00 0.00 H new ATOM 0 HG3 PRO A 77 3.731 6.908 16.787 1.00 0.00 H new ATOM 0 HD2 PRO A 77 1.310 7.156 15.425 1.00 0.00 H new ATOM 0 HD3 PRO A 77 2.813 7.887 14.896 1.00 0.00 H new ATOM 1162 N ILE A 78 1.928 2.638 13.892 1.00 0.00 N ATOM 1163 CA ILE A 78 1.016 1.522 14.125 1.00 0.00 C ATOM 1164 C ILE A 78 1.704 0.192 13.832 1.00 0.00 C ATOM 1165 O ILE A 78 1.229 -0.605 13.021 1.00 0.00 O ATOM 1166 CB ILE A 78 -0.257 1.632 13.263 1.00 0.00 C ATOM 1167 CG1 ILE A 78 -0.777 3.070 13.257 1.00 0.00 C ATOM 1168 CG2 ILE A 78 -1.327 0.681 13.776 1.00 0.00 C ATOM 1169 CD1 ILE A 78 -0.232 3.900 12.116 1.00 0.00 C ATOM 0 H ILE A 78 2.461 2.571 13.025 1.00 0.00 H new ATOM 0 HA ILE A 78 0.728 1.563 15.175 1.00 0.00 H new ATOM 0 HB ILE A 78 -0.007 1.353 12.239 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -1.865 3.055 13.198 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -0.515 3.547 14.201 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -2.220 0.770 13.157 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -0.955 -0.343 13.732 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -1.574 0.933 14.807 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -0.641 4.909 12.172 1.00 0.00 H new ATOM 0 HD12 ILE A 78 0.855 3.945 12.186 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -0.516 3.445 11.167 1.00 0.00 H new ATOM 1181 N ARG A 79 2.832 -0.036 14.496 1.00 0.00 N ATOM 1182 CA ARG A 79 3.601 -1.265 14.310 1.00 0.00 C ATOM 1183 C ARG A 79 2.802 -2.497 14.727 1.00 0.00 C ATOM 1184 O ARG A 79 3.153 -3.621 14.369 1.00 0.00 O ATOM 1185 CB ARG A 79 4.915 -1.213 15.100 1.00 0.00 C ATOM 1186 CG ARG A 79 4.838 -0.414 16.393 1.00 0.00 C ATOM 1187 CD ARG A 79 5.343 1.007 16.197 1.00 0.00 C ATOM 1188 NE ARG A 79 6.802 1.083 16.235 1.00 0.00 N ATOM 1189 CZ ARG A 79 7.511 1.237 17.353 1.00 0.00 C ATOM 1190 NH1 ARG A 79 6.903 1.320 18.530 1.00 0.00 N ATOM 1191 NH2 ARG A 79 8.834 1.306 17.292 1.00 0.00 N ATOM 0 H ARG A 79 3.236 0.615 15.170 1.00 0.00 H new ATOM 0 HA ARG A 79 3.825 -1.344 13.246 1.00 0.00 H new ATOM 0 HB2 ARG A 79 5.225 -2.231 15.334 1.00 0.00 H new ATOM 0 HB3 ARG A 79 5.690 -0.782 14.466 1.00 0.00 H new ATOM 0 HG2 ARG A 79 3.807 -0.390 16.747 1.00 0.00 H new ATOM 0 HG3 ARG A 79 5.429 -0.909 17.164 1.00 0.00 H new ATOM 0 HD2 ARG A 79 4.985 1.390 15.241 1.00 0.00 H new ATOM 0 HD3 ARG A 79 4.927 1.649 16.973 1.00 0.00 H new ATOM 0 HE ARG A 79 7.308 1.014 15.352 1.00 0.00 H new ATOM 0 HH11 ARG A 79 5.886 1.266 18.584 1.00 0.00 H new ATOM 0 HH12 ARG A 79 7.453 1.438 19.381 1.00 0.00 H new ATOM 0 HH21 ARG A 79 9.307 1.241 16.391 1.00 0.00 H new ATOM 0 HH22 ARG A 79 9.378 1.424 18.146 1.00 0.00 H new ATOM 1205 N ASP A 80 1.736 -2.286 15.490 1.00 0.00 N ATOM 1206 CA ASP A 80 0.902 -3.389 15.955 1.00 0.00 C ATOM 1207 C ASP A 80 -0.206 -3.723 14.954 1.00 0.00 C ATOM 1208 O ASP A 80 -1.120 -4.486 15.267 1.00 0.00 O ATOM 1209 CB ASP A 80 0.285 -3.048 17.313 1.00 0.00 C ATOM 1210 CG ASP A 80 1.275 -3.194 18.452 1.00 0.00 C ATOM 1211 OD1 ASP A 80 2.176 -4.053 18.349 1.00 0.00 O ATOM 1212 OD2 ASP A 80 1.150 -2.450 19.447 1.00 0.00 O ATOM 0 H ASP A 80 1.429 -1.364 15.799 1.00 0.00 H new ATOM 0 HA ASP A 80 1.542 -4.266 16.053 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -0.091 -2.025 17.291 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -0.571 -3.699 17.494 1.00 0.00 H new ATOM 1217 N VAL A 81 -0.130 -3.149 13.754 1.00 0.00 N ATOM 1218 CA VAL A 81 -1.135 -3.394 12.730 1.00 0.00 C ATOM 1219 C VAL A 81 -0.502 -3.462 11.338 1.00 0.00 C ATOM 1220 O VAL A 81 0.347 -2.637 10.997 1.00 0.00 O ATOM 1221 CB VAL A 81 -2.197 -2.283 12.735 1.00 0.00 C ATOM 1222 CG1 VAL A 81 -3.359 -2.642 11.823 1.00 0.00 C ATOM 1223 CG2 VAL A 81 -2.688 -2.014 14.149 1.00 0.00 C ATOM 0 H VAL A 81 0.616 -2.514 13.471 1.00 0.00 H new ATOM 0 HA VAL A 81 -1.602 -4.352 12.959 1.00 0.00 H new ATOM 0 HB VAL A 81 -1.735 -1.372 12.355 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -4.098 -1.841 11.843 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -2.995 -2.774 10.804 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -3.819 -3.568 12.167 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -3.439 -1.224 14.129 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -3.128 -2.923 14.561 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -1.850 -1.702 14.772 1.00 0.00 H new ATOM 1233 N PRO A 82 -0.909 -4.443 10.508 1.00 0.00 N ATOM 1234 CA PRO A 82 -0.376 -4.597 9.148 1.00 0.00 C ATOM 1235 C PRO A 82 -0.669 -3.378 8.281 1.00 0.00 C ATOM 1236 O PRO A 82 -1.735 -2.771 8.391 1.00 0.00 O ATOM 1237 CB PRO A 82 -1.108 -5.829 8.603 1.00 0.00 C ATOM 1238 CG PRO A 82 -2.317 -5.973 9.463 1.00 0.00 C ATOM 1239 CD PRO A 82 -1.919 -5.468 10.819 1.00 0.00 C ATOM 0 HA PRO A 82 0.709 -4.703 9.146 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -1.382 -5.694 7.557 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -0.478 -6.717 8.656 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -3.152 -5.399 9.062 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -2.640 -7.013 9.513 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -2.768 -5.047 11.358 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -1.509 -6.263 11.441 1.00 0.00 H new ATOM 1247 N ALA A 83 0.282 -3.012 7.425 1.00 0.00 N ATOM 1248 CA ALA A 83 0.113 -1.854 6.557 1.00 0.00 C ATOM 1249 C ALA A 83 0.227 -2.217 5.081 1.00 0.00 C ATOM 1250 O ALA A 83 0.805 -3.241 4.715 1.00 0.00 O ATOM 1251 CB ALA A 83 1.131 -0.784 6.909 1.00 0.00 C ATOM 0 H ALA A 83 1.172 -3.498 7.315 1.00 0.00 H new ATOM 0 HA ALA A 83 -0.894 -1.470 6.722 1.00 0.00 H new ATOM 0 HB1 ALA A 83 0.995 0.077 6.254 1.00 0.00 H new ATOM 0 HB2 ALA A 83 0.992 -0.477 7.946 1.00 0.00 H new ATOM 0 HB3 ALA A 83 2.137 -1.183 6.780 1.00 0.00 H new ATOM 1257 N VAL A 84 -0.325 -1.347 4.244 1.00 0.00 N ATOM 1258 CA VAL A 84 -0.300 -1.522 2.799 1.00 0.00 C ATOM 1259 C VAL A 84 0.242 -0.263 2.139 1.00 0.00 C ATOM 1260 O VAL A 84 -0.093 0.841 2.551 1.00 0.00 O ATOM 1261 CB VAL A 84 -1.710 -1.801 2.245 1.00 0.00 C ATOM 1262 CG1 VAL A 84 -1.657 -2.094 0.755 1.00 0.00 C ATOM 1263 CG2 VAL A 84 -2.367 -2.942 3.002 1.00 0.00 C ATOM 0 H VAL A 84 -0.803 -0.499 4.550 1.00 0.00 H new ATOM 0 HA VAL A 84 0.341 -2.375 2.577 1.00 0.00 H new ATOM 0 HB VAL A 84 -2.317 -0.907 2.389 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -2.664 -2.288 0.386 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -1.237 -1.236 0.230 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -1.031 -2.969 0.578 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -3.362 -3.123 2.595 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -1.763 -3.843 2.898 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -2.448 -2.680 4.057 1.00 0.00 H new ATOM 1273 N TYR A 85 1.086 -0.418 1.127 1.00 0.00 N ATOM 1274 CA TYR A 85 1.655 0.740 0.449 1.00 0.00 C ATOM 1275 C TYR A 85 1.385 0.694 -1.053 1.00 0.00 C ATOM 1276 O TYR A 85 2.263 0.344 -1.842 1.00 0.00 O ATOM 1277 CB TYR A 85 3.159 0.815 0.708 1.00 0.00 C ATOM 1278 CG TYR A 85 3.530 1.429 2.042 1.00 0.00 C ATOM 1279 CD1 TYR A 85 3.056 0.895 3.234 1.00 0.00 C ATOM 1280 CD2 TYR A 85 4.362 2.540 2.107 1.00 0.00 C ATOM 1281 CE1 TYR A 85 3.400 1.452 4.453 1.00 0.00 C ATOM 1282 CE2 TYR A 85 4.712 3.101 3.322 1.00 0.00 C ATOM 1283 CZ TYR A 85 4.229 2.554 4.491 1.00 0.00 C ATOM 1284 OH TYR A 85 4.574 3.110 5.701 1.00 0.00 O ATOM 0 H TYR A 85 1.389 -1.321 0.761 1.00 0.00 H new ATOM 0 HA TYR A 85 1.175 1.632 0.851 1.00 0.00 H new ATOM 0 HB2 TYR A 85 3.576 -0.191 0.655 1.00 0.00 H new ATOM 0 HB3 TYR A 85 3.625 1.395 -0.088 1.00 0.00 H new ATOM 0 HD1 TYR A 85 2.408 0.031 3.209 1.00 0.00 H new ATOM 0 HD2 TYR A 85 4.742 2.973 1.193 1.00 0.00 H new ATOM 0 HE1 TYR A 85 3.021 1.026 5.370 1.00 0.00 H new ATOM 0 HE2 TYR A 85 5.361 3.964 3.354 1.00 0.00 H new ATOM 0 HH TYR A 85 3.909 2.861 6.377 1.00 0.00 H new ATOM 1294 N PHE A 86 0.168 1.064 -1.442 1.00 0.00 N ATOM 1295 CA PHE A 86 -0.216 1.081 -2.851 1.00 0.00 C ATOM 1296 C PHE A 86 0.185 2.409 -3.480 1.00 0.00 C ATOM 1297 O PHE A 86 -0.587 3.367 -3.475 1.00 0.00 O ATOM 1298 CB PHE A 86 -1.723 0.848 -2.991 1.00 0.00 C ATOM 1299 CG PHE A 86 -2.325 1.420 -4.244 1.00 0.00 C ATOM 1300 CD1 PHE A 86 -1.734 1.205 -5.476 1.00 0.00 C ATOM 1301 CD2 PHE A 86 -3.490 2.163 -4.187 1.00 0.00 C ATOM 1302 CE1 PHE A 86 -2.294 1.721 -6.626 1.00 0.00 C ATOM 1303 CE2 PHE A 86 -4.056 2.680 -5.333 1.00 0.00 C ATOM 1304 CZ PHE A 86 -3.456 2.457 -6.554 1.00 0.00 C ATOM 0 H PHE A 86 -0.570 1.356 -0.801 1.00 0.00 H new ATOM 0 HA PHE A 86 0.304 0.278 -3.373 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -1.917 -0.224 -2.966 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -2.228 1.283 -2.128 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -0.824 0.627 -5.538 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -3.963 2.341 -3.232 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -1.822 1.548 -7.582 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -4.967 3.258 -5.274 1.00 0.00 H new ATOM 0 HZ PHE A 86 -3.897 2.859 -7.454 1.00 0.00 H new ATOM 1314 N VAL A 87 1.408 2.471 -3.994 1.00 0.00 N ATOM 1315 CA VAL A 87 1.915 3.697 -4.595 1.00 0.00 C ATOM 1316 C VAL A 87 2.774 3.419 -5.823 1.00 0.00 C ATOM 1317 O VAL A 87 3.040 2.270 -6.158 1.00 0.00 O ATOM 1318 CB VAL A 87 2.741 4.494 -3.573 1.00 0.00 C ATOM 1319 CG1 VAL A 87 1.907 4.804 -2.347 1.00 0.00 C ATOM 1320 CG2 VAL A 87 3.988 3.731 -3.175 1.00 0.00 C ATOM 0 H VAL A 87 2.064 1.690 -4.006 1.00 0.00 H new ATOM 0 HA VAL A 87 1.048 4.279 -4.908 1.00 0.00 H new ATOM 0 HB VAL A 87 3.045 5.431 -4.040 1.00 0.00 H new ATOM 0 HG11 VAL A 87 2.506 5.369 -1.633 1.00 0.00 H new ATOM 0 HG12 VAL A 87 1.038 5.394 -2.638 1.00 0.00 H new ATOM 0 HG13 VAL A 87 1.576 3.873 -1.887 1.00 0.00 H new ATOM 0 HG21 VAL A 87 4.556 4.315 -2.451 1.00 0.00 H new ATOM 0 HG22 VAL A 87 3.704 2.777 -2.730 1.00 0.00 H new ATOM 0 HG23 VAL A 87 4.602 3.551 -4.058 1.00 0.00 H new ATOM 1330 N MET A 88 3.206 4.487 -6.487 1.00 0.00 N ATOM 1331 CA MET A 88 4.040 4.370 -7.679 1.00 0.00 C ATOM 1332 C MET A 88 5.502 4.161 -7.306 1.00 0.00 C ATOM 1333 O MET A 88 6.023 4.836 -6.421 1.00 0.00 O ATOM 1334 CB MET A 88 3.898 5.624 -8.541 1.00 0.00 C ATOM 1335 CG MET A 88 4.654 5.550 -9.857 1.00 0.00 C ATOM 1336 SD MET A 88 4.186 6.865 -10.995 1.00 0.00 S ATOM 1337 CE MET A 88 2.413 6.636 -11.041 1.00 0.00 C ATOM 0 H MET A 88 2.991 5.447 -6.218 1.00 0.00 H new ATOM 0 HA MET A 88 3.704 3.501 -8.245 1.00 0.00 H new ATOM 0 HB2 MET A 88 2.841 5.794 -8.748 1.00 0.00 H new ATOM 0 HB3 MET A 88 4.254 6.485 -7.976 1.00 0.00 H new ATOM 0 HG2 MET A 88 5.725 5.607 -9.661 1.00 0.00 H new ATOM 0 HG3 MET A 88 4.467 4.584 -10.326 1.00 0.00 H new ATOM 0 HE1 MET A 88 2.026 6.980 -12.000 1.00 0.00 H new ATOM 0 HE2 MET A 88 2.179 5.579 -10.914 1.00 0.00 H new ATOM 0 HE3 MET A 88 1.951 7.209 -10.237 1.00 0.00 H new ATOM 1347 N PRO A 89 6.193 3.225 -7.979 1.00 0.00 N ATOM 1348 CA PRO A 89 7.604 2.943 -7.706 1.00 0.00 C ATOM 1349 C PRO A 89 8.533 4.009 -8.280 1.00 0.00 C ATOM 1350 O PRO A 89 9.518 3.691 -8.947 1.00 0.00 O ATOM 1351 CB PRO A 89 7.835 1.607 -8.409 1.00 0.00 C ATOM 1352 CG PRO A 89 6.859 1.601 -9.534 1.00 0.00 C ATOM 1353 CD PRO A 89 5.657 2.369 -9.055 1.00 0.00 C ATOM 0 HA PRO A 89 7.817 2.926 -6.637 1.00 0.00 H new ATOM 0 HB2 PRO A 89 8.859 1.522 -8.772 1.00 0.00 H new ATOM 0 HB3 PRO A 89 7.666 0.769 -7.733 1.00 0.00 H new ATOM 0 HG2 PRO A 89 7.287 2.064 -10.423 1.00 0.00 H new ATOM 0 HG3 PRO A 89 6.586 0.582 -9.806 1.00 0.00 H new ATOM 0 HD2 PRO A 89 5.216 2.962 -9.856 1.00 0.00 H new ATOM 0 HD3 PRO A 89 4.878 1.703 -8.685 1.00 0.00 H new ATOM 1361 N THR A 90 8.219 5.275 -8.019 1.00 0.00 N ATOM 1362 CA THR A 90 9.028 6.376 -8.510 1.00 0.00 C ATOM 1363 C THR A 90 10.203 6.636 -7.574 1.00 0.00 C ATOM 1364 O THR A 90 10.161 6.274 -6.399 1.00 0.00 O ATOM 1365 CB THR A 90 8.173 7.634 -8.647 1.00 0.00 C ATOM 1366 OG1 THR A 90 7.391 7.842 -7.483 1.00 0.00 O ATOM 1367 CG2 THR A 90 7.232 7.589 -9.834 1.00 0.00 C ATOM 0 H THR A 90 7.408 5.559 -7.469 1.00 0.00 H new ATOM 0 HA THR A 90 9.422 6.108 -9.490 1.00 0.00 H new ATOM 0 HB THR A 90 8.881 8.450 -8.794 1.00 0.00 H new ATOM 0 HG1 THR A 90 6.852 8.654 -7.591 1.00 0.00 H new ATOM 0 HG21 THR A 90 6.653 8.512 -9.875 1.00 0.00 H new ATOM 0 HG22 THR A 90 7.809 7.482 -10.752 1.00 0.00 H new ATOM 0 HG23 THR A 90 6.555 6.741 -9.730 1.00 0.00 H new ATOM 1375 N GLU A 91 11.251 7.260 -8.107 1.00 0.00 N ATOM 1376 CA GLU A 91 12.452 7.568 -7.325 1.00 0.00 C ATOM 1377 C GLU A 91 12.095 8.059 -5.925 1.00 0.00 C ATOM 1378 O GLU A 91 12.630 7.571 -4.929 1.00 0.00 O ATOM 1379 CB GLU A 91 13.299 8.625 -8.039 1.00 0.00 C ATOM 1380 CG GLU A 91 13.382 8.429 -9.543 1.00 0.00 C ATOM 1381 CD GLU A 91 14.728 8.833 -10.112 1.00 0.00 C ATOM 1382 OE1 GLU A 91 15.220 9.925 -9.757 1.00 0.00 O ATOM 1383 OE2 GLU A 91 15.291 8.057 -10.913 1.00 0.00 O ATOM 0 H GLU A 91 11.295 7.564 -9.080 1.00 0.00 H new ATOM 0 HA GLU A 91 13.027 6.647 -7.230 1.00 0.00 H new ATOM 0 HB2 GLU A 91 12.883 9.611 -7.833 1.00 0.00 H new ATOM 0 HB3 GLU A 91 14.307 8.611 -7.624 1.00 0.00 H new ATOM 0 HG2 GLU A 91 13.191 7.382 -9.780 1.00 0.00 H new ATOM 0 HG3 GLU A 91 12.598 9.013 -10.025 1.00 0.00 H new ATOM 1390 N GLU A 92 11.189 9.026 -5.858 1.00 0.00 N ATOM 1391 CA GLU A 92 10.763 9.582 -4.580 1.00 0.00 C ATOM 1392 C GLU A 92 10.075 8.526 -3.721 1.00 0.00 C ATOM 1393 O GLU A 92 10.365 8.400 -2.532 1.00 0.00 O ATOM 1394 CB GLU A 92 9.827 10.773 -4.800 1.00 0.00 C ATOM 1395 CG GLU A 92 8.634 10.456 -5.688 1.00 0.00 C ATOM 1396 CD GLU A 92 8.273 11.603 -6.612 1.00 0.00 C ATOM 1397 OE1 GLU A 92 8.818 11.656 -7.735 1.00 0.00 O ATOM 1398 OE2 GLU A 92 7.444 12.448 -6.213 1.00 0.00 O ATOM 0 H GLU A 92 10.736 9.441 -6.672 1.00 0.00 H new ATOM 0 HA GLU A 92 11.653 9.924 -4.051 1.00 0.00 H new ATOM 0 HB2 GLU A 92 9.466 11.124 -3.833 1.00 0.00 H new ATOM 0 HB3 GLU A 92 10.393 11.591 -5.245 1.00 0.00 H new ATOM 0 HG2 GLU A 92 8.854 9.570 -6.284 1.00 0.00 H new ATOM 0 HG3 GLU A 92 7.775 10.214 -5.063 1.00 0.00 H new ATOM 1405 N ASN A 93 9.167 7.764 -4.325 1.00 0.00 N ATOM 1406 CA ASN A 93 8.453 6.721 -3.598 1.00 0.00 C ATOM 1407 C ASN A 93 9.432 5.715 -3.010 1.00 0.00 C ATOM 1408 O ASN A 93 9.374 5.395 -1.823 1.00 0.00 O ATOM 1409 CB ASN A 93 7.458 6.007 -4.513 1.00 0.00 C ATOM 1410 CG ASN A 93 6.023 6.222 -4.074 1.00 0.00 C ATOM 1411 OD1 ASN A 93 5.648 5.881 -2.952 1.00 0.00 O ATOM 1412 ND2 ASN A 93 5.213 6.796 -4.956 1.00 0.00 N ATOM 0 H ASN A 93 8.910 7.849 -5.309 1.00 0.00 H new ATOM 0 HA ASN A 93 7.902 7.193 -2.785 1.00 0.00 H new ATOM 0 HB2 ASN A 93 7.582 6.368 -5.534 1.00 0.00 H new ATOM 0 HB3 ASN A 93 7.677 4.939 -4.523 1.00 0.00 H new ATOM 0 HD21 ASN A 93 4.237 6.970 -4.714 1.00 0.00 H new ATOM 0 HD22 ASN A 93 5.566 7.063 -5.875 1.00 0.00 H new ATOM 1419 N ILE A 94 10.338 5.225 -3.850 1.00 0.00 N ATOM 1420 CA ILE A 94 11.338 4.260 -3.414 1.00 0.00 C ATOM 1421 C ILE A 94 12.031 4.741 -2.144 1.00 0.00 C ATOM 1422 O ILE A 94 12.409 3.940 -1.288 1.00 0.00 O ATOM 1423 CB ILE A 94 12.397 4.003 -4.508 1.00 0.00 C ATOM 1424 CG1 ILE A 94 11.745 3.773 -5.881 1.00 0.00 C ATOM 1425 CG2 ILE A 94 13.269 2.817 -4.130 1.00 0.00 C ATOM 1426 CD1 ILE A 94 10.353 3.177 -5.825 1.00 0.00 C ATOM 0 H ILE A 94 10.399 5.481 -4.836 1.00 0.00 H new ATOM 0 HA ILE A 94 10.815 3.325 -3.213 1.00 0.00 H new ATOM 0 HB ILE A 94 13.022 4.893 -4.583 1.00 0.00 H new ATOM 0 HG12 ILE A 94 11.698 4.725 -6.410 1.00 0.00 H new ATOM 0 HG13 ILE A 94 12.385 3.114 -6.467 1.00 0.00 H new ATOM 0 HG21 ILE A 94 14.011 2.648 -4.910 1.00 0.00 H new ATOM 0 HG22 ILE A 94 13.775 3.023 -3.187 1.00 0.00 H new ATOM 0 HG23 ILE A 94 12.647 1.928 -4.021 1.00 0.00 H new ATOM 0 HD11 ILE A 94 9.971 3.050 -6.838 1.00 0.00 H new ATOM 0 HD12 ILE A 94 10.392 2.208 -5.327 1.00 0.00 H new ATOM 0 HD13 ILE A 94 9.694 3.844 -5.270 1.00 0.00 H new ATOM 1438 N ASP A 95 12.181 6.056 -2.023 1.00 0.00 N ATOM 1439 CA ASP A 95 12.813 6.641 -0.849 1.00 0.00 C ATOM 1440 C ASP A 95 11.871 6.581 0.347 1.00 0.00 C ATOM 1441 O ASP A 95 12.309 6.419 1.486 1.00 0.00 O ATOM 1442 CB ASP A 95 13.220 8.089 -1.128 1.00 0.00 C ATOM 1443 CG ASP A 95 14.517 8.186 -1.908 1.00 0.00 C ATOM 1444 OD1 ASP A 95 14.572 7.653 -3.036 1.00 0.00 O ATOM 1445 OD2 ASP A 95 15.477 8.797 -1.392 1.00 0.00 O ATOM 0 H ASP A 95 11.874 6.733 -2.721 1.00 0.00 H new ATOM 0 HA ASP A 95 13.709 6.065 -0.617 1.00 0.00 H new ATOM 0 HB2 ASP A 95 12.426 8.585 -1.686 1.00 0.00 H new ATOM 0 HB3 ASP A 95 13.327 8.622 -0.183 1.00 0.00 H new ATOM 1450 N ARG A 96 10.573 6.701 0.081 1.00 0.00 N ATOM 1451 CA ARG A 96 9.573 6.647 1.139 1.00 0.00 C ATOM 1452 C ARG A 96 9.447 5.225 1.675 1.00 0.00 C ATOM 1453 O ARG A 96 9.117 5.018 2.842 1.00 0.00 O ATOM 1454 CB ARG A 96 8.218 7.152 0.632 1.00 0.00 C ATOM 1455 CG ARG A 96 7.848 8.521 1.182 1.00 0.00 C ATOM 1456 CD ARG A 96 7.992 9.609 0.129 1.00 0.00 C ATOM 1457 NE ARG A 96 6.712 9.951 -0.485 1.00 0.00 N ATOM 1458 CZ ARG A 96 6.593 10.577 -1.654 1.00 0.00 C ATOM 1459 NH1 ARG A 96 7.674 10.934 -2.336 1.00 0.00 N ATOM 1460 NH2 ARG A 96 5.390 10.849 -2.140 1.00 0.00 N ATOM 0 H ARG A 96 10.192 6.836 -0.855 1.00 0.00 H new ATOM 0 HA ARG A 96 9.896 7.298 1.951 1.00 0.00 H new ATOM 0 HB2 ARG A 96 8.238 7.198 -0.457 1.00 0.00 H new ATOM 0 HB3 ARG A 96 7.444 6.435 0.907 1.00 0.00 H new ATOM 0 HG2 ARG A 96 6.821 8.501 1.546 1.00 0.00 H new ATOM 0 HG3 ARG A 96 8.485 8.754 2.035 1.00 0.00 H new ATOM 0 HD2 ARG A 96 8.424 10.500 0.585 1.00 0.00 H new ATOM 0 HD3 ARG A 96 8.687 9.277 -0.643 1.00 0.00 H new ATOM 0 HE ARG A 96 5.858 9.695 0.011 1.00 0.00 H new ATOM 0 HH11 ARG A 96 8.602 10.729 -1.965 1.00 0.00 H new ATOM 0 HH12 ARG A 96 7.577 11.413 -3.231 1.00 0.00 H new ATOM 0 HH21 ARG A 96 4.556 10.579 -1.618 1.00 0.00 H new ATOM 0 HH22 ARG A 96 5.298 11.329 -3.036 1.00 0.00 H new ATOM 1474 N LEU A 97 9.727 4.247 0.816 1.00 0.00 N ATOM 1475 CA LEU A 97 9.660 2.846 1.212 1.00 0.00 C ATOM 1476 C LEU A 97 10.715 2.553 2.268 1.00 0.00 C ATOM 1477 O LEU A 97 10.423 1.963 3.308 1.00 0.00 O ATOM 1478 CB LEU A 97 9.868 1.931 -0.002 1.00 0.00 C ATOM 1479 CG LEU A 97 8.590 1.427 -0.684 1.00 0.00 C ATOM 1480 CD1 LEU A 97 7.555 0.997 0.344 1.00 0.00 C ATOM 1481 CD2 LEU A 97 8.019 2.494 -1.606 1.00 0.00 C ATOM 0 H LEU A 97 10.001 4.400 -0.154 1.00 0.00 H new ATOM 0 HA LEU A 97 8.672 2.651 1.628 1.00 0.00 H new ATOM 0 HB2 LEU A 97 10.464 2.468 -0.740 1.00 0.00 H new ATOM 0 HB3 LEU A 97 10.454 1.068 0.313 1.00 0.00 H new ATOM 0 HG LEU A 97 8.850 0.555 -1.284 1.00 0.00 H new ATOM 0 HD11 LEU A 97 6.659 0.644 -0.167 1.00 0.00 H new ATOM 0 HD12 LEU A 97 7.963 0.193 0.957 1.00 0.00 H new ATOM 0 HD13 LEU A 97 7.300 1.845 0.980 1.00 0.00 H new ATOM 0 HD21 LEU A 97 7.113 2.118 -2.081 1.00 0.00 H new ATOM 0 HD22 LEU A 97 7.782 3.386 -1.027 1.00 0.00 H new ATOM 0 HD23 LEU A 97 8.753 2.744 -2.372 1.00 0.00 H new ATOM 1493 N CYS A 98 11.943 2.983 2.000 1.00 0.00 N ATOM 1494 CA CYS A 98 13.040 2.779 2.934 1.00 0.00 C ATOM 1495 C CYS A 98 12.898 3.702 4.138 1.00 0.00 C ATOM 1496 O CYS A 98 13.479 3.456 5.194 1.00 0.00 O ATOM 1497 CB CYS A 98 14.377 3.010 2.232 1.00 0.00 C ATOM 1498 SG CYS A 98 15.821 2.771 3.294 1.00 0.00 S ATOM 0 H CYS A 98 12.202 3.474 1.144 1.00 0.00 H new ATOM 0 HA CYS A 98 13.008 1.750 3.291 1.00 0.00 H new ATOM 0 HB2 CYS A 98 14.450 2.333 1.381 1.00 0.00 H new ATOM 0 HB3 CYS A 98 14.396 4.025 1.835 1.00 0.00 H new ATOM 0 HG CYS A 98 16.904 2.987 2.609 1.00 0.00 H new ATOM 1504 N GLN A 99 12.107 4.759 3.975 1.00 0.00 N ATOM 1505 CA GLN A 99 11.874 5.707 5.052 1.00 0.00 C ATOM 1506 C GLN A 99 10.870 5.138 6.048 1.00 0.00 C ATOM 1507 O GLN A 99 11.048 5.260 7.260 1.00 0.00 O ATOM 1508 CB GLN A 99 11.367 7.038 4.489 1.00 0.00 C ATOM 1509 CG GLN A 99 12.384 8.165 4.586 1.00 0.00 C ATOM 1510 CD GLN A 99 12.508 8.951 3.296 1.00 0.00 C ATOM 1511 OE1 GLN A 99 13.572 8.691 2.544 1.00 0.00 O flip ATOM 1512 NE2 GLN A 99 11.659 9.784 2.979 1.00 0.00 N flip ATOM 0 H GLN A 99 11.618 4.978 3.107 1.00 0.00 H new ATOM 0 HA GLN A 99 12.817 5.885 5.569 1.00 0.00 H new ATOM 0 HB2 GLN A 99 11.089 6.899 3.444 1.00 0.00 H new ATOM 0 HB3 GLN A 99 10.463 7.328 5.024 1.00 0.00 H new ATOM 0 HG2 GLN A 99 12.097 8.840 5.392 1.00 0.00 H new ATOM 0 HG3 GLN A 99 13.357 7.750 4.849 1.00 0.00 H new ATOM 0 HE21 GLN A 99 10.857 9.952 3.587 1.00 0.00 H new ATOM 0 HE22 GLN A 99 11.757 10.306 2.108 1.00 0.00 H new ATOM 1521 N ASP A 100 9.815 4.509 5.531 1.00 0.00 N ATOM 1522 CA ASP A 100 8.790 3.920 6.382 1.00 0.00 C ATOM 1523 C ASP A 100 9.218 2.540 6.874 1.00 0.00 C ATOM 1524 O ASP A 100 8.812 2.098 7.949 1.00 0.00 O ATOM 1525 CB ASP A 100 7.464 3.822 5.622 1.00 0.00 C ATOM 1526 CG ASP A 100 7.483 2.754 4.546 1.00 0.00 C ATOM 1527 OD1 ASP A 100 7.552 1.557 4.898 1.00 0.00 O ATOM 1528 OD2 ASP A 100 7.429 3.115 3.352 1.00 0.00 O ATOM 0 H ASP A 100 9.651 4.396 4.531 1.00 0.00 H new ATOM 0 HA ASP A 100 8.655 4.565 7.250 1.00 0.00 H new ATOM 0 HB2 ASP A 100 6.661 3.607 6.327 1.00 0.00 H new ATOM 0 HB3 ASP A 100 7.239 4.786 5.167 1.00 0.00 H new ATOM 1533 N LEU A 101 10.039 1.864 6.077 1.00 0.00 N ATOM 1534 CA LEU A 101 10.523 0.534 6.425 1.00 0.00 C ATOM 1535 C LEU A 101 11.485 0.592 7.606 1.00 0.00 C ATOM 1536 O LEU A 101 11.544 -0.333 8.416 1.00 0.00 O ATOM 1537 CB LEU A 101 11.213 -0.106 5.221 1.00 0.00 C ATOM 1538 CG LEU A 101 10.269 -0.685 4.167 1.00 0.00 C ATOM 1539 CD1 LEU A 101 11.027 -0.987 2.883 1.00 0.00 C ATOM 1540 CD2 LEU A 101 9.583 -1.934 4.698 1.00 0.00 C ATOM 0 H LEU A 101 10.383 2.217 5.184 1.00 0.00 H new ATOM 0 HA LEU A 101 9.665 -0.074 6.713 1.00 0.00 H new ATOM 0 HB2 LEU A 101 11.849 0.641 4.746 1.00 0.00 H new ATOM 0 HB3 LEU A 101 11.868 -0.902 5.577 1.00 0.00 H new ATOM 0 HG LEU A 101 9.501 0.055 3.942 1.00 0.00 H new ATOM 0 HD11 LEU A 101 10.340 -1.398 2.143 1.00 0.00 H new ATOM 0 HD12 LEU A 101 11.469 -0.068 2.497 1.00 0.00 H new ATOM 0 HD13 LEU A 101 11.816 -1.711 3.088 1.00 0.00 H new ATOM 0 HD21 LEU A 101 8.914 -2.334 3.936 1.00 0.00 H new ATOM 0 HD22 LEU A 101 10.334 -2.682 4.950 1.00 0.00 H new ATOM 0 HD23 LEU A 101 9.008 -1.682 5.589 1.00 0.00 H new ATOM 1552 N ARG A 102 12.239 1.682 7.699 1.00 0.00 N ATOM 1553 CA ARG A 102 13.198 1.853 8.784 1.00 0.00 C ATOM 1554 C ARG A 102 12.507 2.377 10.038 1.00 0.00 C ATOM 1555 O ARG A 102 12.906 2.060 11.158 1.00 0.00 O ATOM 1556 CB ARG A 102 14.314 2.811 8.362 1.00 0.00 C ATOM 1557 CG ARG A 102 15.297 2.203 7.375 1.00 0.00 C ATOM 1558 CD ARG A 102 16.551 3.052 7.242 1.00 0.00 C ATOM 1559 NE ARG A 102 16.504 3.916 6.064 1.00 0.00 N ATOM 1560 CZ ARG A 102 17.579 4.472 5.509 1.00 0.00 C ATOM 1561 NH1 ARG A 102 18.784 4.260 6.022 1.00 0.00 N ATOM 1562 NH2 ARG A 102 17.447 5.243 4.438 1.00 0.00 N ATOM 0 H ARG A 102 12.205 2.458 7.038 1.00 0.00 H new ATOM 0 HA ARG A 102 13.634 0.880 9.009 1.00 0.00 H new ATOM 0 HB2 ARG A 102 13.869 3.701 7.917 1.00 0.00 H new ATOM 0 HB3 ARG A 102 14.857 3.136 9.249 1.00 0.00 H new ATOM 0 HG2 ARG A 102 15.569 1.199 7.702 1.00 0.00 H new ATOM 0 HG3 ARG A 102 14.820 2.102 6.400 1.00 0.00 H new ATOM 0 HD2 ARG A 102 16.671 3.664 8.136 1.00 0.00 H new ATOM 0 HD3 ARG A 102 17.424 2.402 7.181 1.00 0.00 H new ATOM 0 HE ARG A 102 15.594 4.104 5.642 1.00 0.00 H new ATOM 0 HH11 ARG A 102 18.891 3.668 6.846 1.00 0.00 H new ATOM 0 HH12 ARG A 102 19.604 4.689 5.592 1.00 0.00 H new ATOM 0 HH21 ARG A 102 16.523 5.410 4.040 1.00 0.00 H new ATOM 0 HH22 ARG A 102 18.270 5.669 4.012 1.00 0.00 H new ATOM 1576 N ASN A 103 11.466 3.179 9.840 1.00 0.00 N ATOM 1577 CA ASN A 103 10.715 3.747 10.954 1.00 0.00 C ATOM 1578 C ASN A 103 9.876 2.680 11.649 1.00 0.00 C ATOM 1579 O ASN A 103 9.534 2.815 12.824 1.00 0.00 O ATOM 1580 CB ASN A 103 9.807 4.876 10.463 1.00 0.00 C ATOM 1581 CG ASN A 103 10.586 6.085 9.987 1.00 0.00 C ATOM 1582 OD1 ASN A 103 11.676 6.372 10.483 1.00 0.00 O ATOM 1583 ND2 ASN A 103 10.029 6.803 9.019 1.00 0.00 N ATOM 0 H ASN A 103 11.123 3.450 8.918 1.00 0.00 H new ATOM 0 HA ASN A 103 11.432 4.147 11.671 1.00 0.00 H new ATOM 0 HB2 ASN A 103 9.183 4.507 9.649 1.00 0.00 H new ATOM 0 HB3 ASN A 103 9.137 5.175 11.269 1.00 0.00 H new ATOM 0 HD21 ASN A 103 10.506 7.629 8.657 1.00 0.00 H new ATOM 0 HD22 ASN A 103 9.124 6.529 8.637 1.00 0.00 H new ATOM 1590 N GLN A 104 9.539 1.622 10.917 1.00 0.00 N ATOM 1591 CA GLN A 104 8.732 0.540 11.467 1.00 0.00 C ATOM 1592 C GLN A 104 7.369 1.064 11.908 1.00 0.00 C ATOM 1593 O GLN A 104 6.804 0.604 12.900 1.00 0.00 O ATOM 1594 CB GLN A 104 9.450 -0.114 12.649 1.00 0.00 C ATOM 1595 CG GLN A 104 10.743 -0.814 12.263 1.00 0.00 C ATOM 1596 CD GLN A 104 10.933 -2.130 12.991 1.00 0.00 C ATOM 1597 OE1 GLN A 104 10.763 -2.211 14.207 1.00 0.00 O ATOM 1598 NE2 GLN A 104 11.286 -3.172 12.247 1.00 0.00 N ATOM 0 H GLN A 104 9.812 1.492 9.943 1.00 0.00 H new ATOM 0 HA GLN A 104 8.585 -0.209 10.689 1.00 0.00 H new ATOM 0 HB2 GLN A 104 9.668 0.648 13.397 1.00 0.00 H new ATOM 0 HB3 GLN A 104 8.780 -0.837 13.116 1.00 0.00 H new ATOM 0 HG2 GLN A 104 10.748 -0.994 11.188 1.00 0.00 H new ATOM 0 HG3 GLN A 104 11.586 -0.158 12.480 1.00 0.00 H new ATOM 0 HE21 GLN A 104 11.416 -3.060 11.242 1.00 0.00 H new ATOM 0 HE22 GLN A 104 11.427 -4.084 12.681 1.00 0.00 H new ATOM 1607 N LEU A 105 6.854 2.036 11.163 1.00 0.00 N ATOM 1608 CA LEU A 105 5.561 2.639 11.469 1.00 0.00 C ATOM 1609 C LEU A 105 4.452 1.592 11.492 1.00 0.00 C ATOM 1610 O LEU A 105 3.470 1.736 12.212 1.00 0.00 O ATOM 1611 CB LEU A 105 5.232 3.729 10.445 1.00 0.00 C ATOM 1612 CG LEU A 105 6.231 4.886 10.392 1.00 0.00 C ATOM 1613 CD1 LEU A 105 6.097 5.647 9.082 1.00 0.00 C ATOM 1614 CD2 LEU A 105 6.029 5.819 11.577 1.00 0.00 C ATOM 0 H LEU A 105 7.314 2.425 10.340 1.00 0.00 H new ATOM 0 HA LEU A 105 5.625 3.085 12.462 1.00 0.00 H new ATOM 0 HB2 LEU A 105 5.174 3.273 9.457 1.00 0.00 H new ATOM 0 HB3 LEU A 105 4.244 4.131 10.669 1.00 0.00 H new ATOM 0 HG LEU A 105 7.239 4.474 10.447 1.00 0.00 H new ATOM 0 HD11 LEU A 105 6.815 6.466 9.062 1.00 0.00 H new ATOM 0 HD12 LEU A 105 6.292 4.973 8.248 1.00 0.00 H new ATOM 0 HD13 LEU A 105 5.087 6.048 8.996 1.00 0.00 H new ATOM 0 HD21 LEU A 105 6.748 6.636 11.523 1.00 0.00 H new ATOM 0 HD22 LEU A 105 5.017 6.224 11.553 1.00 0.00 H new ATOM 0 HD23 LEU A 105 6.177 5.266 12.505 1.00 0.00 H new ATOM 1626 N TYR A 106 4.606 0.542 10.697 1.00 0.00 N ATOM 1627 CA TYR A 106 3.601 -0.514 10.636 1.00 0.00 C ATOM 1628 C TYR A 106 4.248 -1.898 10.608 1.00 0.00 C ATOM 1629 O TYR A 106 5.353 -2.069 10.092 1.00 0.00 O ATOM 1630 CB TYR A 106 2.708 -0.307 9.412 1.00 0.00 C ATOM 1631 CG TYR A 106 2.240 1.124 9.255 1.00 0.00 C ATOM 1632 CD1 TYR A 106 3.111 2.114 8.818 1.00 0.00 C ATOM 1633 CD2 TYR A 106 0.933 1.488 9.551 1.00 0.00 C ATOM 1634 CE1 TYR A 106 2.694 3.423 8.680 1.00 0.00 C ATOM 1635 CE2 TYR A 106 0.508 2.798 9.413 1.00 0.00 C ATOM 1636 CZ TYR A 106 1.393 3.761 8.979 1.00 0.00 C ATOM 1637 OH TYR A 106 0.975 5.067 8.836 1.00 0.00 O ATOM 0 H TYR A 106 5.412 0.398 10.088 1.00 0.00 H new ATOM 0 HA TYR A 106 2.989 -0.460 11.536 1.00 0.00 H new ATOM 0 HB2 TYR A 106 3.254 -0.605 8.517 1.00 0.00 H new ATOM 0 HB3 TYR A 106 1.839 -0.961 9.488 1.00 0.00 H new ATOM 0 HD1 TYR A 106 4.133 1.855 8.582 1.00 0.00 H new ATOM 0 HD2 TYR A 106 0.237 0.737 9.894 1.00 0.00 H new ATOM 0 HE1 TYR A 106 3.386 4.179 8.339 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -0.513 3.064 9.644 1.00 0.00 H new ATOM 0 HH TYR A 106 1.151 5.560 9.665 1.00 0.00 H new ATOM 1647 N GLU A 107 3.555 -2.879 11.183 1.00 0.00 N ATOM 1648 CA GLU A 107 4.059 -4.249 11.245 1.00 0.00 C ATOM 1649 C GLU A 107 4.336 -4.816 9.856 1.00 0.00 C ATOM 1650 O GLU A 107 5.403 -5.377 9.607 1.00 0.00 O ATOM 1651 CB GLU A 107 3.057 -5.148 11.974 1.00 0.00 C ATOM 1652 CG GLU A 107 3.707 -6.134 12.932 1.00 0.00 C ATOM 1653 CD GLU A 107 3.206 -7.553 12.739 1.00 0.00 C ATOM 1654 OE1 GLU A 107 2.826 -7.898 11.600 1.00 0.00 O ATOM 1655 OE2 GLU A 107 3.195 -8.318 13.726 1.00 0.00 O ATOM 0 H GLU A 107 2.640 -2.749 11.614 1.00 0.00 H new ATOM 0 HA GLU A 107 5.000 -4.225 11.794 1.00 0.00 H new ATOM 0 HB2 GLU A 107 2.358 -4.523 12.529 1.00 0.00 H new ATOM 0 HB3 GLU A 107 2.475 -5.701 11.237 1.00 0.00 H new ATOM 0 HG2 GLU A 107 4.788 -6.112 12.792 1.00 0.00 H new ATOM 0 HG3 GLU A 107 3.512 -5.820 13.958 1.00 0.00 H new ATOM 1662 N SER A 108 3.370 -4.673 8.956 1.00 0.00 N ATOM 1663 CA SER A 108 3.515 -5.181 7.597 1.00 0.00 C ATOM 1664 C SER A 108 3.639 -4.037 6.599 1.00 0.00 C ATOM 1665 O SER A 108 3.512 -2.869 6.963 1.00 0.00 O ATOM 1666 CB SER A 108 2.326 -6.072 7.230 1.00 0.00 C ATOM 1667 OG SER A 108 1.239 -5.304 6.742 1.00 0.00 O ATOM 0 H SER A 108 2.480 -4.211 9.142 1.00 0.00 H new ATOM 0 HA SER A 108 4.428 -5.775 7.554 1.00 0.00 H new ATOM 0 HB2 SER A 108 2.631 -6.796 6.474 1.00 0.00 H new ATOM 0 HB3 SER A 108 2.010 -6.639 8.106 1.00 0.00 H new ATOM 0 HG SER A 108 0.559 -5.901 6.366 1.00 0.00 H new ATOM 1673 N TYR A 109 3.890 -4.380 5.341 1.00 0.00 N ATOM 1674 CA TYR A 109 4.035 -3.377 4.295 1.00 0.00 C ATOM 1675 C TYR A 109 3.646 -3.935 2.928 1.00 0.00 C ATOM 1676 O TYR A 109 4.484 -4.051 2.032 1.00 0.00 O ATOM 1677 CB TYR A 109 5.473 -2.858 4.254 1.00 0.00 C ATOM 1678 CG TYR A 109 5.907 -2.172 5.529 1.00 0.00 C ATOM 1679 CD1 TYR A 109 5.663 -0.819 5.729 1.00 0.00 C ATOM 1680 CD2 TYR A 109 6.559 -2.876 6.533 1.00 0.00 C ATOM 1681 CE1 TYR A 109 6.058 -0.187 6.893 1.00 0.00 C ATOM 1682 CE2 TYR A 109 6.956 -2.252 7.699 1.00 0.00 C ATOM 1683 CZ TYR A 109 6.703 -0.908 7.874 1.00 0.00 C ATOM 1684 OH TYR A 109 7.097 -0.283 9.035 1.00 0.00 O ATOM 0 H TYR A 109 3.997 -5.343 5.022 1.00 0.00 H new ATOM 0 HA TYR A 109 3.360 -2.554 4.530 1.00 0.00 H new ATOM 0 HB2 TYR A 109 6.145 -3.692 4.053 1.00 0.00 H new ATOM 0 HB3 TYR A 109 5.575 -2.160 3.423 1.00 0.00 H new ATOM 0 HD1 TYR A 109 5.156 -0.252 4.962 1.00 0.00 H new ATOM 0 HD2 TYR A 109 6.759 -3.929 6.400 1.00 0.00 H new ATOM 0 HE1 TYR A 109 5.862 0.866 7.033 1.00 0.00 H new ATOM 0 HE2 TYR A 109 7.462 -2.814 8.470 1.00 0.00 H new ATOM 0 HH TYR A 109 7.652 0.494 8.816 1.00 0.00 H new ATOM 1694 N TYR A 110 2.369 -4.265 2.765 1.00 0.00 N ATOM 1695 CA TYR A 110 1.876 -4.790 1.497 1.00 0.00 C ATOM 1696 C TYR A 110 2.000 -3.717 0.417 1.00 0.00 C ATOM 1697 O TYR A 110 1.123 -2.867 0.269 1.00 0.00 O ATOM 1698 CB TYR A 110 0.421 -5.244 1.641 1.00 0.00 C ATOM 1699 CG TYR A 110 -0.063 -6.120 0.508 1.00 0.00 C ATOM 1700 CD1 TYR A 110 0.089 -7.499 0.560 1.00 0.00 C ATOM 1701 CD2 TYR A 110 -0.675 -5.568 -0.610 1.00 0.00 C ATOM 1702 CE1 TYR A 110 -0.354 -8.304 -0.472 1.00 0.00 C ATOM 1703 CE2 TYR A 110 -1.122 -6.366 -1.645 1.00 0.00 C ATOM 1704 CZ TYR A 110 -0.959 -7.734 -1.572 1.00 0.00 C ATOM 1705 OH TYR A 110 -1.404 -8.534 -2.600 1.00 0.00 O ATOM 0 H TYR A 110 1.659 -4.179 3.492 1.00 0.00 H new ATOM 0 HA TYR A 110 2.475 -5.654 1.208 1.00 0.00 H new ATOM 0 HB2 TYR A 110 0.312 -5.787 2.579 1.00 0.00 H new ATOM 0 HB3 TYR A 110 -0.219 -4.364 1.706 1.00 0.00 H new ATOM 0 HD1 TYR A 110 0.561 -7.950 1.421 1.00 0.00 H new ATOM 0 HD2 TYR A 110 -0.803 -4.497 -0.671 1.00 0.00 H new ATOM 0 HE1 TYR A 110 -0.227 -9.375 -0.417 1.00 0.00 H new ATOM 0 HE2 TYR A 110 -1.597 -5.921 -2.507 1.00 0.00 H new ATOM 0 HH TYR A 110 -1.807 -7.976 -3.298 1.00 0.00 H new ATOM 1715 N LEU A 111 3.112 -3.747 -0.312 1.00 0.00 N ATOM 1716 CA LEU A 111 3.375 -2.761 -1.356 1.00 0.00 C ATOM 1717 C LEU A 111 2.593 -3.048 -2.633 1.00 0.00 C ATOM 1718 O LEU A 111 2.290 -4.198 -2.951 1.00 0.00 O ATOM 1719 CB LEU A 111 4.873 -2.706 -1.672 1.00 0.00 C ATOM 1720 CG LEU A 111 5.798 -2.714 -0.454 1.00 0.00 C ATOM 1721 CD1 LEU A 111 7.246 -2.514 -0.880 1.00 0.00 C ATOM 1722 CD2 LEU A 111 5.387 -1.638 0.532 1.00 0.00 C ATOM 0 H LEU A 111 3.847 -4.445 -0.199 1.00 0.00 H new ATOM 0 HA LEU A 111 3.043 -1.796 -0.973 1.00 0.00 H new ATOM 0 HB2 LEU A 111 5.126 -3.557 -2.305 1.00 0.00 H new ATOM 0 HB3 LEU A 111 5.072 -1.806 -2.253 1.00 0.00 H new ATOM 0 HG LEU A 111 5.712 -3.685 0.034 1.00 0.00 H new ATOM 0 HD11 LEU A 111 7.889 -2.523 0.000 1.00 0.00 H new ATOM 0 HD12 LEU A 111 7.542 -3.319 -1.553 1.00 0.00 H new ATOM 0 HD13 LEU A 111 7.346 -1.557 -1.393 1.00 0.00 H new ATOM 0 HD21 LEU A 111 6.056 -1.658 1.392 1.00 0.00 H new ATOM 0 HD22 LEU A 111 5.445 -0.662 0.050 1.00 0.00 H new ATOM 0 HD23 LEU A 111 4.364 -1.819 0.863 1.00 0.00 H new ATOM 1734 N ASN A 112 2.286 -1.981 -3.361 1.00 0.00 N ATOM 1735 CA ASN A 112 1.554 -2.076 -4.619 1.00 0.00 C ATOM 1736 C ASN A 112 1.988 -0.959 -5.555 1.00 0.00 C ATOM 1737 O ASN A 112 1.711 0.215 -5.309 1.00 0.00 O ATOM 1738 CB ASN A 112 0.046 -2.009 -4.369 1.00 0.00 C ATOM 1739 CG ASN A 112 -0.712 -3.077 -5.133 1.00 0.00 C ATOM 1740 OD1 ASN A 112 -0.504 -3.264 -6.331 1.00 0.00 O ATOM 1741 ND2 ASN A 112 -1.596 -3.785 -4.440 1.00 0.00 N ATOM 0 H ASN A 112 2.536 -1.028 -3.097 1.00 0.00 H new ATOM 0 HA ASN A 112 1.779 -3.035 -5.085 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -0.149 -2.121 -3.302 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -0.325 -1.026 -4.659 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -2.135 -4.518 -4.900 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -1.736 -3.595 -3.448 1.00 0.00 H new ATOM 1748 N PHE A 113 2.691 -1.331 -6.618 1.00 0.00 N ATOM 1749 CA PHE A 113 3.187 -0.356 -7.577 1.00 0.00 C ATOM 1750 C PHE A 113 2.173 -0.075 -8.680 1.00 0.00 C ATOM 1751 O PHE A 113 1.506 -0.980 -9.182 1.00 0.00 O ATOM 1752 CB PHE A 113 4.517 -0.829 -8.169 1.00 0.00 C ATOM 1753 CG PHE A 113 5.672 -0.722 -7.206 1.00 0.00 C ATOM 1754 CD1 PHE A 113 5.733 0.312 -6.280 1.00 0.00 C ATOM 1755 CD2 PHE A 113 6.695 -1.656 -7.225 1.00 0.00 C ATOM 1756 CE1 PHE A 113 6.790 0.410 -5.396 1.00 0.00 C ATOM 1757 CE2 PHE A 113 7.756 -1.562 -6.342 1.00 0.00 C ATOM 1758 CZ PHE A 113 7.803 -0.527 -5.427 1.00 0.00 C ATOM 0 H PHE A 113 2.929 -2.299 -6.836 1.00 0.00 H new ATOM 0 HA PHE A 113 3.349 0.581 -7.045 1.00 0.00 H new ATOM 0 HB2 PHE A 113 4.415 -1.866 -8.489 1.00 0.00 H new ATOM 0 HB3 PHE A 113 4.740 -0.241 -9.059 1.00 0.00 H new ATOM 0 HD1 PHE A 113 4.944 1.049 -6.251 1.00 0.00 H new ATOM 0 HD2 PHE A 113 6.664 -2.467 -7.937 1.00 0.00 H new ATOM 0 HE1 PHE A 113 6.824 1.219 -4.681 1.00 0.00 H new ATOM 0 HE2 PHE A 113 8.547 -2.297 -6.368 1.00 0.00 H new ATOM 0 HZ PHE A 113 8.631 -0.452 -4.738 1.00 0.00 H new ATOM 1768 N ILE A 114 2.070 1.199 -9.045 1.00 0.00 N ATOM 1769 CA ILE A 114 1.145 1.637 -10.091 1.00 0.00 C ATOM 1770 C ILE A 114 1.767 1.460 -11.474 1.00 0.00 C ATOM 1771 O ILE A 114 1.074 1.158 -12.444 1.00 0.00 O ATOM 1772 CB ILE A 114 0.718 3.123 -9.939 1.00 0.00 C ATOM 1773 CG1 ILE A 114 0.992 3.661 -8.525 1.00 0.00 C ATOM 1774 CG2 ILE A 114 -0.753 3.290 -10.297 1.00 0.00 C ATOM 1775 CD1 ILE A 114 -0.018 3.228 -7.489 1.00 0.00 C ATOM 0 H ILE A 114 2.618 1.952 -8.630 1.00 0.00 H new ATOM 0 HA ILE A 114 0.260 1.010 -9.983 1.00 0.00 H new ATOM 0 HB ILE A 114 1.323 3.709 -10.631 1.00 0.00 H new ATOM 0 HG12 ILE A 114 1.982 3.333 -8.210 1.00 0.00 H new ATOM 0 HG13 ILE A 114 1.014 4.750 -8.561 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -1.038 4.336 -10.186 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -0.914 2.978 -11.329 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -1.361 2.676 -9.633 1.00 0.00 H new ATOM 0 HD11 ILE A 114 0.250 3.651 -6.521 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -1.009 3.580 -7.777 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -0.025 2.140 -7.420 1.00 0.00 H new ATOM 1787 N SER A 115 3.078 1.657 -11.558 1.00 0.00 N ATOM 1788 CA SER A 115 3.791 1.525 -12.823 1.00 0.00 C ATOM 1789 C SER A 115 4.675 0.281 -12.821 1.00 0.00 C ATOM 1790 O SER A 115 4.801 -0.401 -11.804 1.00 0.00 O ATOM 1791 CB SER A 115 4.637 2.772 -13.085 1.00 0.00 C ATOM 1792 OG SER A 115 5.880 2.698 -12.409 1.00 0.00 O ATOM 0 H SER A 115 3.668 1.909 -10.765 1.00 0.00 H new ATOM 0 HA SER A 115 3.055 1.421 -13.621 1.00 0.00 H new ATOM 0 HB2 SER A 115 4.808 2.880 -14.156 1.00 0.00 H new ATOM 0 HB3 SER A 115 4.094 3.659 -12.758 1.00 0.00 H new ATOM 0 HG SER A 115 6.402 3.506 -12.595 1.00 0.00 H new ATOM 1798 N ALA A 116 5.283 -0.010 -13.966 1.00 0.00 N ATOM 1799 CA ALA A 116 6.152 -1.174 -14.096 1.00 0.00 C ATOM 1800 C ALA A 116 7.556 -0.875 -13.582 1.00 0.00 C ATOM 1801 O ALA A 116 8.407 -0.383 -14.324 1.00 0.00 O ATOM 1802 CB ALA A 116 6.205 -1.631 -15.546 1.00 0.00 C ATOM 0 H ALA A 116 5.190 0.544 -14.817 1.00 0.00 H new ATOM 0 HA ALA A 116 5.736 -1.976 -13.487 1.00 0.00 H new ATOM 0 HB1 ALA A 116 6.857 -2.501 -15.630 1.00 0.00 H new ATOM 0 HB2 ALA A 116 5.202 -1.896 -15.881 1.00 0.00 H new ATOM 0 HB3 ALA A 116 6.594 -0.825 -16.168 1.00 0.00 H new ATOM 1808 N ILE A 117 7.795 -1.178 -12.311 1.00 0.00 N ATOM 1809 CA ILE A 117 9.100 -0.944 -11.705 1.00 0.00 C ATOM 1810 C ILE A 117 10.137 -1.924 -12.249 1.00 0.00 C ATOM 1811 O ILE A 117 9.789 -2.977 -12.782 1.00 0.00 O ATOM 1812 CB ILE A 117 9.038 -1.060 -10.168 1.00 0.00 C ATOM 1813 CG1 ILE A 117 10.407 -0.757 -9.550 1.00 0.00 C ATOM 1814 CG2 ILE A 117 8.548 -2.441 -9.761 1.00 0.00 C ATOM 1815 CD1 ILE A 117 10.359 -0.478 -8.063 1.00 0.00 C ATOM 0 H ILE A 117 7.103 -1.585 -11.682 1.00 0.00 H new ATOM 0 HA ILE A 117 9.397 0.072 -11.965 1.00 0.00 H new ATOM 0 HB ILE A 117 8.329 -0.323 -9.791 1.00 0.00 H new ATOM 0 HG12 ILE A 117 11.071 -1.602 -9.730 1.00 0.00 H new ATOM 0 HG13 ILE A 117 10.842 0.104 -10.058 1.00 0.00 H new ATOM 0 HG21 ILE A 117 8.510 -2.508 -8.674 1.00 0.00 H new ATOM 0 HG22 ILE A 117 7.552 -2.609 -10.170 1.00 0.00 H new ATOM 0 HG23 ILE A 117 9.231 -3.198 -10.147 1.00 0.00 H new ATOM 0 HD11 ILE A 117 11.366 -0.273 -7.699 1.00 0.00 H new ATOM 0 HD12 ILE A 117 9.722 0.386 -7.875 1.00 0.00 H new ATOM 0 HD13 ILE A 117 9.955 -1.346 -7.543 1.00 0.00 H new ATOM 1827 N SER A 118 11.411 -1.566 -12.118 1.00 0.00 N ATOM 1828 CA SER A 118 12.498 -2.410 -12.604 1.00 0.00 C ATOM 1829 C SER A 118 13.270 -3.036 -11.447 1.00 0.00 C ATOM 1830 O SER A 118 13.133 -2.618 -10.297 1.00 0.00 O ATOM 1831 CB SER A 118 13.450 -1.593 -13.480 1.00 0.00 C ATOM 1832 OG SER A 118 14.286 -0.765 -12.690 1.00 0.00 O ATOM 0 H SER A 118 11.716 -0.697 -11.679 1.00 0.00 H new ATOM 0 HA SER A 118 12.060 -3.212 -13.197 1.00 0.00 H new ATOM 0 HB2 SER A 118 14.062 -2.265 -14.082 1.00 0.00 H new ATOM 0 HB3 SER A 118 12.875 -0.979 -14.173 1.00 0.00 H new ATOM 0 HG SER A 118 14.886 -0.255 -13.273 1.00 0.00 H new ATOM 1838 N ARG A 119 14.082 -4.043 -11.760 1.00 0.00 N ATOM 1839 CA ARG A 119 14.878 -4.731 -10.749 1.00 0.00 C ATOM 1840 C ARG A 119 15.710 -3.741 -9.938 1.00 0.00 C ATOM 1841 O ARG A 119 15.834 -3.871 -8.720 1.00 0.00 O ATOM 1842 CB ARG A 119 15.790 -5.770 -11.407 1.00 0.00 C ATOM 1843 CG ARG A 119 15.367 -7.205 -11.138 1.00 0.00 C ATOM 1844 CD ARG A 119 16.229 -8.194 -11.907 1.00 0.00 C ATOM 1845 NE ARG A 119 17.270 -8.783 -11.066 1.00 0.00 N ATOM 1846 CZ ARG A 119 17.912 -9.911 -11.362 1.00 0.00 C ATOM 1847 NH1 ARG A 119 17.624 -10.575 -12.475 1.00 0.00 N ATOM 1848 NH2 ARG A 119 18.845 -10.378 -10.543 1.00 0.00 N ATOM 0 H ARG A 119 14.206 -4.400 -12.707 1.00 0.00 H new ATOM 0 HA ARG A 119 14.194 -5.239 -10.069 1.00 0.00 H new ATOM 0 HB2 ARG A 119 15.804 -5.600 -12.483 1.00 0.00 H new ATOM 0 HB3 ARG A 119 16.809 -5.627 -11.048 1.00 0.00 H new ATOM 0 HG2 ARG A 119 15.438 -7.412 -10.070 1.00 0.00 H new ATOM 0 HG3 ARG A 119 14.322 -7.336 -11.419 1.00 0.00 H new ATOM 0 HD2 ARG A 119 15.599 -8.986 -12.312 1.00 0.00 H new ATOM 0 HD3 ARG A 119 16.691 -7.689 -12.755 1.00 0.00 H new ATOM 0 HE ARG A 119 17.519 -8.301 -10.202 1.00 0.00 H new ATOM 0 HH11 ARG A 119 16.907 -10.221 -13.109 1.00 0.00 H new ATOM 0 HH12 ARG A 119 18.119 -11.439 -12.696 1.00 0.00 H new ATOM 0 HH21 ARG A 119 19.071 -9.873 -9.686 1.00 0.00 H new ATOM 0 HH22 ARG A 119 19.337 -11.242 -10.770 1.00 0.00 H new ATOM 1862 N SER A 120 16.273 -2.748 -10.620 1.00 0.00 N ATOM 1863 CA SER A 120 17.087 -1.735 -9.959 1.00 0.00 C ATOM 1864 C SER A 120 16.275 -1.006 -8.894 1.00 0.00 C ATOM 1865 O SER A 120 16.632 -1.007 -7.715 1.00 0.00 O ATOM 1866 CB SER A 120 17.627 -0.735 -10.982 1.00 0.00 C ATOM 1867 OG SER A 120 18.677 0.041 -10.431 1.00 0.00 O ATOM 0 H SER A 120 16.180 -2.624 -11.628 1.00 0.00 H new ATOM 0 HA SER A 120 17.928 -2.233 -9.476 1.00 0.00 H new ATOM 0 HB2 SER A 120 17.988 -1.268 -11.861 1.00 0.00 H new ATOM 0 HB3 SER A 120 16.822 -0.080 -11.315 1.00 0.00 H new ATOM 0 HG SER A 120 19.006 0.671 -11.105 1.00 0.00 H new ATOM 1873 N LYS A 121 15.176 -0.389 -9.316 1.00 0.00 N ATOM 1874 CA LYS A 121 14.308 0.336 -8.399 1.00 0.00 C ATOM 1875 C LYS A 121 13.672 -0.619 -7.393 1.00 0.00 C ATOM 1876 O LYS A 121 13.438 -0.258 -6.240 1.00 0.00 O ATOM 1877 CB LYS A 121 13.222 1.083 -9.174 1.00 0.00 C ATOM 1878 CG LYS A 121 13.748 2.263 -9.974 1.00 0.00 C ATOM 1879 CD LYS A 121 12.993 2.429 -11.283 1.00 0.00 C ATOM 1880 CE LYS A 121 11.632 3.070 -11.062 1.00 0.00 C ATOM 1881 NZ LYS A 121 10.852 3.170 -12.326 1.00 0.00 N ATOM 0 H LYS A 121 14.866 -0.377 -10.288 1.00 0.00 H new ATOM 0 HA LYS A 121 14.914 1.061 -7.854 1.00 0.00 H new ATOM 0 HB2 LYS A 121 12.727 0.387 -9.851 1.00 0.00 H new ATOM 0 HB3 LYS A 121 12.466 1.438 -8.473 1.00 0.00 H new ATOM 0 HG2 LYS A 121 13.658 3.174 -9.383 1.00 0.00 H new ATOM 0 HG3 LYS A 121 14.809 2.120 -10.180 1.00 0.00 H new ATOM 0 HD2 LYS A 121 13.579 3.043 -11.967 1.00 0.00 H new ATOM 0 HD3 LYS A 121 12.866 1.456 -11.757 1.00 0.00 H new ATOM 0 HE2 LYS A 121 11.070 2.485 -10.334 1.00 0.00 H new ATOM 0 HE3 LYS A 121 11.764 4.065 -10.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 9.931 3.612 -12.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 11.376 3.749 -13.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 10.703 2.218 -12.718 1.00 0.00 H new ATOM 1895 N LEU A 122 13.402 -1.842 -7.836 1.00 0.00 N ATOM 1896 CA LEU A 122 12.802 -2.852 -6.972 1.00 0.00 C ATOM 1897 C LEU A 122 13.763 -3.234 -5.854 1.00 0.00 C ATOM 1898 O LEU A 122 13.377 -3.310 -4.687 1.00 0.00 O ATOM 1899 CB LEU A 122 12.429 -4.090 -7.783 1.00 0.00 C ATOM 1900 CG LEU A 122 11.015 -4.075 -8.361 1.00 0.00 C ATOM 1901 CD1 LEU A 122 11.046 -4.359 -9.851 1.00 0.00 C ATOM 1902 CD2 LEU A 122 10.127 -5.078 -7.643 1.00 0.00 C ATOM 0 H LEU A 122 13.589 -2.158 -8.788 1.00 0.00 H new ATOM 0 HA LEU A 122 11.898 -2.433 -6.530 1.00 0.00 H new ATOM 0 HB2 LEU A 122 13.140 -4.198 -8.602 1.00 0.00 H new ATOM 0 HB3 LEU A 122 12.538 -4.969 -7.148 1.00 0.00 H new ATOM 0 HG LEU A 122 10.595 -3.081 -8.209 1.00 0.00 H new ATOM 0 HD11 LEU A 122 10.030 -4.344 -10.245 1.00 0.00 H new ATOM 0 HD12 LEU A 122 11.642 -3.597 -10.354 1.00 0.00 H new ATOM 0 HD13 LEU A 122 11.489 -5.340 -10.025 1.00 0.00 H new ATOM 0 HD21 LEU A 122 9.125 -5.049 -8.072 1.00 0.00 H new ATOM 0 HD22 LEU A 122 10.542 -6.079 -7.758 1.00 0.00 H new ATOM 0 HD23 LEU A 122 10.076 -4.826 -6.584 1.00 0.00 H new ATOM 1914 N GLU A 123 15.021 -3.465 -6.219 1.00 0.00 N ATOM 1915 CA GLU A 123 16.044 -3.830 -5.247 1.00 0.00 C ATOM 1916 C GLU A 123 16.113 -2.789 -4.135 1.00 0.00 C ATOM 1917 O GLU A 123 16.377 -3.115 -2.978 1.00 0.00 O ATOM 1918 CB GLU A 123 17.408 -3.960 -5.930 1.00 0.00 C ATOM 1919 CG GLU A 123 17.805 -5.397 -6.221 1.00 0.00 C ATOM 1920 CD GLU A 123 19.088 -5.496 -7.023 1.00 0.00 C ATOM 1921 OE1 GLU A 123 19.159 -4.882 -8.108 1.00 0.00 O ATOM 1922 OE2 GLU A 123 20.022 -6.189 -6.566 1.00 0.00 O ATOM 0 H GLU A 123 15.355 -3.406 -7.181 1.00 0.00 H new ATOM 0 HA GLU A 123 15.778 -4.793 -4.811 1.00 0.00 H new ATOM 0 HB2 GLU A 123 17.392 -3.399 -6.865 1.00 0.00 H new ATOM 0 HB3 GLU A 123 18.168 -3.503 -5.296 1.00 0.00 H new ATOM 0 HG2 GLU A 123 17.926 -5.934 -5.280 1.00 0.00 H new ATOM 0 HG3 GLU A 123 17.000 -5.889 -6.767 1.00 0.00 H new ATOM 1929 N ASP A 124 15.862 -1.536 -4.498 1.00 0.00 N ATOM 1930 CA ASP A 124 15.884 -0.446 -3.533 1.00 0.00 C ATOM 1931 C ASP A 124 14.816 -0.661 -2.467 1.00 0.00 C ATOM 1932 O ASP A 124 15.090 -0.545 -1.273 1.00 0.00 O ATOM 1933 CB ASP A 124 15.666 0.896 -4.234 1.00 0.00 C ATOM 1934 CG ASP A 124 16.894 1.357 -4.995 1.00 0.00 C ATOM 1935 OD1 ASP A 124 17.227 0.728 -6.021 1.00 0.00 O ATOM 1936 OD2 ASP A 124 17.523 2.346 -4.564 1.00 0.00 O ATOM 0 H ASP A 124 15.641 -1.251 -5.452 1.00 0.00 H new ATOM 0 HA ASP A 124 16.862 -0.432 -3.052 1.00 0.00 H new ATOM 0 HB2 ASP A 124 14.826 0.811 -4.923 1.00 0.00 H new ATOM 0 HB3 ASP A 124 15.396 1.650 -3.494 1.00 0.00 H new ATOM 1941 N ILE A 125 13.601 -0.984 -2.903 1.00 0.00 N ATOM 1942 CA ILE A 125 12.503 -1.225 -1.975 1.00 0.00 C ATOM 1943 C ILE A 125 12.688 -2.556 -1.254 1.00 0.00 C ATOM 1944 O ILE A 125 12.433 -2.661 -0.054 1.00 0.00 O ATOM 1945 CB ILE A 125 11.134 -1.214 -2.685 1.00 0.00 C ATOM 1946 CG1 ILE A 125 10.850 0.169 -3.269 1.00 0.00 C ATOM 1947 CG2 ILE A 125 10.030 -1.611 -1.717 1.00 0.00 C ATOM 1948 CD1 ILE A 125 11.174 0.276 -4.740 1.00 0.00 C ATOM 0 H ILE A 125 13.354 -1.084 -3.888 1.00 0.00 H new ATOM 0 HA ILE A 125 12.518 -0.411 -1.250 1.00 0.00 H new ATOM 0 HB ILE A 125 11.161 -1.939 -3.498 1.00 0.00 H new ATOM 0 HG12 ILE A 125 9.798 0.410 -3.118 1.00 0.00 H new ATOM 0 HG13 ILE A 125 11.429 0.913 -2.722 1.00 0.00 H new ATOM 0 HG21 ILE A 125 9.071 -1.598 -2.234 1.00 0.00 H new ATOM 0 HG22 ILE A 125 10.223 -2.614 -1.336 1.00 0.00 H new ATOM 0 HG23 ILE A 125 10.004 -0.906 -0.886 1.00 0.00 H new ATOM 0 HD11 ILE A 125 10.949 1.283 -5.090 1.00 0.00 H new ATOM 0 HD12 ILE A 125 12.232 0.066 -4.896 1.00 0.00 H new ATOM 0 HD13 ILE A 125 10.575 -0.444 -5.298 1.00 0.00 H new ATOM 1960 N ALA A 126 13.150 -3.571 -1.981 1.00 0.00 N ATOM 1961 CA ALA A 126 13.380 -4.877 -1.383 1.00 0.00 C ATOM 1962 C ALA A 126 14.366 -4.739 -0.239 1.00 0.00 C ATOM 1963 O ALA A 126 14.146 -5.254 0.856 1.00 0.00 O ATOM 1964 CB ALA A 126 13.900 -5.865 -2.415 1.00 0.00 C ATOM 0 H ALA A 126 13.370 -3.512 -2.975 1.00 0.00 H new ATOM 0 HA ALA A 126 12.434 -5.262 -1.002 1.00 0.00 H new ATOM 0 HB1 ALA A 126 14.064 -6.833 -1.942 1.00 0.00 H new ATOM 0 HB2 ALA A 126 13.169 -5.972 -3.217 1.00 0.00 H new ATOM 0 HB3 ALA A 126 14.840 -5.499 -2.827 1.00 0.00 H new ATOM 1970 N ASN A 127 15.446 -4.011 -0.501 1.00 0.00 N ATOM 1971 CA ASN A 127 16.463 -3.770 0.506 1.00 0.00 C ATOM 1972 C ASN A 127 16.006 -2.686 1.462 1.00 0.00 C ATOM 1973 O ASN A 127 16.396 -2.673 2.630 1.00 0.00 O ATOM 1974 CB ASN A 127 17.790 -3.383 -0.146 1.00 0.00 C ATOM 1975 CG ASN A 127 18.658 -4.588 -0.449 1.00 0.00 C ATOM 1976 OD1 ASN A 127 19.657 -4.835 0.228 1.00 0.00 O ATOM 1977 ND2 ASN A 127 18.281 -5.347 -1.472 1.00 0.00 N ATOM 0 H ASN A 127 15.636 -3.579 -1.405 1.00 0.00 H new ATOM 0 HA ASN A 127 16.617 -4.691 1.068 1.00 0.00 H new ATOM 0 HB2 ASN A 127 17.593 -2.839 -1.070 1.00 0.00 H new ATOM 0 HB3 ASN A 127 18.332 -2.705 0.514 1.00 0.00 H new ATOM 0 HD21 ASN A 127 18.826 -6.171 -1.724 1.00 0.00 H new ATOM 0 HD22 ASN A 127 17.446 -5.105 -2.006 1.00 0.00 H new ATOM 1984 N ALA A 128 15.152 -1.789 0.975 1.00 0.00 N ATOM 1985 CA ALA A 128 14.626 -0.726 1.813 1.00 0.00 C ATOM 1986 C ALA A 128 14.084 -1.319 3.112 1.00 0.00 C ATOM 1987 O ALA A 128 14.134 -0.690 4.169 1.00 0.00 O ATOM 1988 CB ALA A 128 13.541 0.036 1.068 1.00 0.00 C ATOM 0 H ALA A 128 14.815 -1.780 0.012 1.00 0.00 H new ATOM 0 HA ALA A 128 15.425 -0.026 2.058 1.00 0.00 H new ATOM 0 HB1 ALA A 128 13.153 0.831 1.704 1.00 0.00 H new ATOM 0 HB2 ALA A 128 13.959 0.470 0.160 1.00 0.00 H new ATOM 0 HB3 ALA A 128 12.732 -0.646 0.805 1.00 0.00 H new ATOM 1994 N ALA A 129 13.585 -2.551 3.014 1.00 0.00 N ATOM 1995 CA ALA A 129 13.049 -3.266 4.166 1.00 0.00 C ATOM 1996 C ALA A 129 14.152 -4.018 4.900 1.00 0.00 C ATOM 1997 O ALA A 129 14.203 -4.021 6.127 1.00 0.00 O ATOM 1998 CB ALA A 129 11.964 -4.240 3.729 1.00 0.00 C ATOM 0 H ALA A 129 13.542 -3.076 2.140 1.00 0.00 H new ATOM 0 HA ALA A 129 12.617 -2.532 4.846 1.00 0.00 H new ATOM 0 HB1 ALA A 129 11.574 -4.766 4.601 1.00 0.00 H new ATOM 0 HB2 ALA A 129 11.156 -3.691 3.245 1.00 0.00 H new ATOM 0 HB3 ALA A 129 12.384 -4.961 3.028 1.00 0.00 H new ATOM 2004 N LEU A 130 15.028 -4.661 4.132 1.00 0.00 N ATOM 2005 CA LEU A 130 16.131 -5.432 4.694 1.00 0.00 C ATOM 2006 C LEU A 130 16.895 -4.629 5.743 1.00 0.00 C ATOM 2007 O LEU A 130 17.488 -5.196 6.661 1.00 0.00 O ATOM 2008 CB LEU A 130 17.073 -5.875 3.574 1.00 0.00 C ATOM 2009 CG LEU A 130 16.418 -6.719 2.478 1.00 0.00 C ATOM 2010 CD1 LEU A 130 17.373 -6.932 1.311 1.00 0.00 C ATOM 2011 CD2 LEU A 130 15.948 -8.053 3.037 1.00 0.00 C ATOM 0 H LEU A 130 14.994 -4.662 3.113 1.00 0.00 H new ATOM 0 HA LEU A 130 15.717 -6.311 5.188 1.00 0.00 H new ATOM 0 HB2 LEU A 130 17.512 -4.989 3.116 1.00 0.00 H new ATOM 0 HB3 LEU A 130 17.892 -6.446 4.012 1.00 0.00 H new ATOM 0 HG LEU A 130 15.548 -6.176 2.108 1.00 0.00 H new ATOM 0 HD11 LEU A 130 16.884 -7.535 0.546 1.00 0.00 H new ATOM 0 HD12 LEU A 130 17.653 -5.967 0.889 1.00 0.00 H new ATOM 0 HD13 LEU A 130 18.267 -7.447 1.662 1.00 0.00 H new ATOM 0 HD21 LEU A 130 15.485 -8.638 2.242 1.00 0.00 H new ATOM 0 HD22 LEU A 130 16.801 -8.599 3.440 1.00 0.00 H new ATOM 0 HD23 LEU A 130 15.221 -7.879 3.830 1.00 0.00 H new ATOM 2023 N ALA A 131 16.870 -3.308 5.608 1.00 0.00 N ATOM 2024 CA ALA A 131 17.556 -2.436 6.554 1.00 0.00 C ATOM 2025 C ALA A 131 16.968 -2.589 7.954 1.00 0.00 C ATOM 2026 O ALA A 131 17.680 -2.489 8.953 1.00 0.00 O ATOM 2027 CB ALA A 131 17.472 -0.987 6.097 1.00 0.00 C ATOM 0 H ALA A 131 16.384 -2.819 4.856 1.00 0.00 H new ATOM 0 HA ALA A 131 18.605 -2.729 6.591 1.00 0.00 H new ATOM 0 HB1 ALA A 131 17.989 -0.349 6.814 1.00 0.00 H new ATOM 0 HB2 ALA A 131 17.941 -0.887 5.118 1.00 0.00 H new ATOM 0 HB3 ALA A 131 16.426 -0.686 6.031 1.00 0.00 H new ATOM 2033 N ALA A 132 15.664 -2.838 8.014 1.00 0.00 N ATOM 2034 CA ALA A 132 14.971 -3.011 9.287 1.00 0.00 C ATOM 2035 C ALA A 132 14.373 -4.413 9.410 1.00 0.00 C ATOM 2036 O ALA A 132 13.880 -4.795 10.471 1.00 0.00 O ATOM 2037 CB ALA A 132 13.884 -1.959 9.439 1.00 0.00 C ATOM 0 H ALA A 132 15.064 -2.925 7.194 1.00 0.00 H new ATOM 0 HA ALA A 132 15.701 -2.888 10.087 1.00 0.00 H new ATOM 0 HB1 ALA A 132 13.374 -2.098 10.392 1.00 0.00 H new ATOM 0 HB2 ALA A 132 14.332 -0.966 9.409 1.00 0.00 H new ATOM 0 HB3 ALA A 132 13.166 -2.058 8.625 1.00 0.00 H new ATOM 2043 N ASN A 133 14.417 -5.175 8.318 1.00 0.00 N ATOM 2044 CA ASN A 133 13.877 -6.531 8.301 1.00 0.00 C ATOM 2045 C ASN A 133 12.362 -6.515 8.490 1.00 0.00 C ATOM 2046 O ASN A 133 11.808 -7.328 9.230 1.00 0.00 O ATOM 2047 CB ASN A 133 14.539 -7.384 9.387 1.00 0.00 C ATOM 2048 CG ASN A 133 15.209 -8.621 8.822 1.00 0.00 C ATOM 2049 OD1 ASN A 133 14.754 -9.744 9.044 1.00 0.00 O ATOM 2050 ND2 ASN A 133 16.296 -8.422 8.086 1.00 0.00 N ATOM 0 H ASN A 133 14.823 -4.874 7.432 1.00 0.00 H new ATOM 0 HA ASN A 133 14.096 -6.971 7.328 1.00 0.00 H new ATOM 0 HB2 ASN A 133 15.279 -6.783 9.916 1.00 0.00 H new ATOM 0 HB3 ASN A 133 13.788 -7.683 10.119 1.00 0.00 H new ATOM 0 HD21 ASN A 133 16.789 -9.217 7.679 1.00 0.00 H new ATOM 0 HD22 ASN A 133 16.638 -7.474 7.928 1.00 0.00 H new ATOM 2057 N ALA A 134 11.698 -5.585 7.812 1.00 0.00 N ATOM 2058 CA ALA A 134 10.249 -5.462 7.901 1.00 0.00 C ATOM 2059 C ALA A 134 9.560 -6.349 6.869 1.00 0.00 C ATOM 2060 O ALA A 134 9.964 -6.395 5.707 1.00 0.00 O ATOM 2061 CB ALA A 134 9.830 -4.011 7.717 1.00 0.00 C ATOM 0 H ALA A 134 12.141 -4.905 7.194 1.00 0.00 H new ATOM 0 HA ALA A 134 9.940 -5.794 8.892 1.00 0.00 H new ATOM 0 HB1 ALA A 134 8.745 -3.934 7.786 1.00 0.00 H new ATOM 0 HB2 ALA A 134 10.287 -3.399 8.494 1.00 0.00 H new ATOM 0 HB3 ALA A 134 10.157 -3.659 6.739 1.00 0.00 H new ATOM 2067 N VAL A 135 8.517 -7.050 7.301 1.00 0.00 N ATOM 2068 CA VAL A 135 7.771 -7.934 6.413 1.00 0.00 C ATOM 2069 C VAL A 135 7.054 -7.138 5.329 1.00 0.00 C ATOM 2070 O VAL A 135 6.091 -6.423 5.605 1.00 0.00 O ATOM 2071 CB VAL A 135 6.734 -8.772 7.187 1.00 0.00 C ATOM 2072 CG1 VAL A 135 6.247 -9.936 6.337 1.00 0.00 C ATOM 2073 CG2 VAL A 135 7.317 -9.268 8.503 1.00 0.00 C ATOM 0 H VAL A 135 8.169 -7.023 8.260 1.00 0.00 H new ATOM 0 HA VAL A 135 8.496 -8.606 5.954 1.00 0.00 H new ATOM 0 HB VAL A 135 5.879 -8.136 7.415 1.00 0.00 H new ATOM 0 HG11 VAL A 135 5.516 -10.516 6.900 1.00 0.00 H new ATOM 0 HG12 VAL A 135 5.784 -9.554 5.427 1.00 0.00 H new ATOM 0 HG13 VAL A 135 7.092 -10.573 6.074 1.00 0.00 H new ATOM 0 HG21 VAL A 135 6.569 -9.857 9.033 1.00 0.00 H new ATOM 0 HG22 VAL A 135 8.191 -9.887 8.303 1.00 0.00 H new ATOM 0 HG23 VAL A 135 7.609 -8.415 9.116 1.00 0.00 H new ATOM 2083 N THR A 136 7.532 -7.261 4.095 1.00 0.00 N ATOM 2084 CA THR A 136 6.936 -6.546 2.972 1.00 0.00 C ATOM 2085 C THR A 136 6.662 -7.483 1.803 1.00 0.00 C ATOM 2086 O THR A 136 7.212 -8.582 1.729 1.00 0.00 O ATOM 2087 CB THR A 136 7.854 -5.412 2.517 1.00 0.00 C ATOM 2088 OG1 THR A 136 8.955 -5.922 1.786 1.00 0.00 O ATOM 2089 CG2 THR A 136 8.404 -4.591 3.661 1.00 0.00 C ATOM 0 H THR A 136 8.329 -7.848 3.847 1.00 0.00 H new ATOM 0 HA THR A 136 5.987 -6.130 3.310 1.00 0.00 H new ATOM 0 HB THR A 136 7.231 -4.768 1.896 1.00 0.00 H new ATOM 0 HG1 THR A 136 9.530 -5.181 1.502 1.00 0.00 H new ATOM 0 HG21 THR A 136 9.047 -3.804 3.268 1.00 0.00 H new ATOM 0 HG22 THR A 136 7.580 -4.143 4.216 1.00 0.00 H new ATOM 0 HG23 THR A 136 8.982 -5.234 4.325 1.00 0.00 H new ATOM 2097 N GLN A 137 5.812 -7.033 0.887 1.00 0.00 N ATOM 2098 CA GLN A 137 5.463 -7.819 -0.288 1.00 0.00 C ATOM 2099 C GLN A 137 4.943 -6.915 -1.400 1.00 0.00 C ATOM 2100 O GLN A 137 3.927 -6.238 -1.238 1.00 0.00 O ATOM 2101 CB GLN A 137 4.413 -8.873 0.067 1.00 0.00 C ATOM 2102 CG GLN A 137 3.269 -8.335 0.913 1.00 0.00 C ATOM 2103 CD GLN A 137 2.633 -9.404 1.779 1.00 0.00 C ATOM 2104 OE1 GLN A 137 2.289 -10.484 1.299 1.00 0.00 O ATOM 2105 NE2 GLN A 137 2.473 -9.107 3.063 1.00 0.00 N ATOM 0 H GLN A 137 5.351 -6.125 0.937 1.00 0.00 H new ATOM 0 HA GLN A 137 6.362 -8.325 -0.641 1.00 0.00 H new ATOM 0 HB2 GLN A 137 4.007 -9.293 -0.853 1.00 0.00 H new ATOM 0 HB3 GLN A 137 4.897 -9.689 0.603 1.00 0.00 H new ATOM 0 HG2 GLN A 137 3.639 -7.530 1.548 1.00 0.00 H new ATOM 0 HG3 GLN A 137 2.511 -7.903 0.260 1.00 0.00 H new ATOM 0 HE21 GLN A 137 2.773 -8.199 3.418 1.00 0.00 H new ATOM 0 HE22 GLN A 137 2.050 -9.787 3.695 1.00 0.00 H new ATOM 2114 N VAL A 138 5.646 -6.905 -2.527 1.00 0.00 N ATOM 2115 CA VAL A 138 5.255 -6.079 -3.661 1.00 0.00 C ATOM 2116 C VAL A 138 4.176 -6.761 -4.492 1.00 0.00 C ATOM 2117 O VAL A 138 4.415 -7.792 -5.121 1.00 0.00 O ATOM 2118 CB VAL A 138 6.461 -5.747 -4.558 1.00 0.00 C ATOM 2119 CG1 VAL A 138 6.067 -4.755 -5.642 1.00 0.00 C ATOM 2120 CG2 VAL A 138 7.609 -5.202 -3.721 1.00 0.00 C ATOM 0 H VAL A 138 6.489 -7.459 -2.679 1.00 0.00 H new ATOM 0 HA VAL A 138 4.856 -5.150 -3.254 1.00 0.00 H new ATOM 0 HB VAL A 138 6.794 -6.665 -5.043 1.00 0.00 H new ATOM 0 HG11 VAL A 138 6.934 -4.534 -6.265 1.00 0.00 H new ATOM 0 HG12 VAL A 138 5.277 -5.184 -6.258 1.00 0.00 H new ATOM 0 HG13 VAL A 138 5.708 -3.835 -5.180 1.00 0.00 H new ATOM 0 HG21 VAL A 138 8.455 -4.972 -4.369 1.00 0.00 H new ATOM 0 HG22 VAL A 138 7.287 -4.295 -3.209 1.00 0.00 H new ATOM 0 HG23 VAL A 138 7.909 -5.948 -2.985 1.00 0.00 H new ATOM 2130 N ALA A 139 2.984 -6.176 -4.479 1.00 0.00 N ATOM 2131 CA ALA A 139 1.852 -6.715 -5.220 1.00 0.00 C ATOM 2132 C ALA A 139 1.970 -6.417 -6.712 1.00 0.00 C ATOM 2133 O ALA A 139 2.935 -5.796 -7.157 1.00 0.00 O ATOM 2134 CB ALA A 139 0.554 -6.150 -4.664 1.00 0.00 C ATOM 0 H ALA A 139 2.777 -5.323 -3.960 1.00 0.00 H new ATOM 0 HA ALA A 139 1.851 -7.798 -5.101 1.00 0.00 H new ATOM 0 HB1 ALA A 139 -0.289 -6.557 -5.223 1.00 0.00 H new ATOM 0 HB2 ALA A 139 0.459 -6.423 -3.613 1.00 0.00 H new ATOM 0 HB3 ALA A 139 0.560 -5.064 -4.757 1.00 0.00 H new ATOM 2140 N LYS A 140 0.981 -6.867 -7.479 1.00 0.00 N ATOM 2141 CA LYS A 140 0.971 -6.653 -8.922 1.00 0.00 C ATOM 2142 C LYS A 140 0.601 -5.214 -9.261 1.00 0.00 C ATOM 2143 O LYS A 140 0.109 -4.470 -8.413 1.00 0.00 O ATOM 2144 CB LYS A 140 -0.009 -7.615 -9.597 1.00 0.00 C ATOM 2145 CG LYS A 140 0.083 -9.043 -9.080 1.00 0.00 C ATOM 2146 CD LYS A 140 -1.204 -9.475 -8.395 1.00 0.00 C ATOM 2147 CE LYS A 140 -2.116 -10.235 -9.347 1.00 0.00 C ATOM 2148 NZ LYS A 140 -2.176 -11.686 -9.020 1.00 0.00 N ATOM 0 H LYS A 140 0.176 -7.383 -7.124 1.00 0.00 H new ATOM 0 HA LYS A 140 1.976 -6.847 -9.296 1.00 0.00 H new ATOM 0 HB2 LYS A 140 -1.025 -7.249 -9.448 1.00 0.00 H new ATOM 0 HB3 LYS A 140 0.176 -7.614 -10.671 1.00 0.00 H new ATOM 0 HG2 LYS A 140 0.299 -9.717 -9.909 1.00 0.00 H new ATOM 0 HG3 LYS A 140 0.914 -9.124 -8.379 1.00 0.00 H new ATOM 0 HD2 LYS A 140 -0.967 -10.104 -7.537 1.00 0.00 H new ATOM 0 HD3 LYS A 140 -1.726 -8.598 -8.013 1.00 0.00 H new ATOM 0 HE2 LYS A 140 -3.119 -9.812 -9.304 1.00 0.00 H new ATOM 0 HE3 LYS A 140 -1.760 -10.108 -10.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 -2.807 -12.167 -9.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 -1.223 -12.096 -9.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 -2.540 -11.809 -8.054 1.00 0.00 H new ATOM 2162 N VAL A 141 0.845 -4.829 -10.509 1.00 0.00 N ATOM 2163 CA VAL A 141 0.545 -3.480 -10.969 1.00 0.00 C ATOM 2164 C VAL A 141 -0.678 -3.468 -11.884 1.00 0.00 C ATOM 2165 O VAL A 141 -0.966 -4.453 -12.564 1.00 0.00 O ATOM 2166 CB VAL A 141 1.747 -2.872 -11.720 1.00 0.00 C ATOM 2167 CG1 VAL A 141 1.421 -1.474 -12.214 1.00 0.00 C ATOM 2168 CG2 VAL A 141 2.978 -2.851 -10.830 1.00 0.00 C ATOM 0 H VAL A 141 1.251 -5.435 -11.222 1.00 0.00 H new ATOM 0 HA VAL A 141 0.333 -2.878 -10.085 1.00 0.00 H new ATOM 0 HB VAL A 141 1.960 -3.498 -12.586 1.00 0.00 H new ATOM 0 HG11 VAL A 141 2.283 -1.064 -12.741 1.00 0.00 H new ATOM 0 HG12 VAL A 141 0.568 -1.517 -12.892 1.00 0.00 H new ATOM 0 HG13 VAL A 141 1.178 -0.836 -11.365 1.00 0.00 H new ATOM 0 HG21 VAL A 141 3.815 -2.419 -11.378 1.00 0.00 H new ATOM 0 HG22 VAL A 141 2.776 -2.251 -9.943 1.00 0.00 H new ATOM 0 HG23 VAL A 141 3.227 -3.869 -10.530 1.00 0.00 H new ATOM 2178 N PHE A 142 -1.393 -2.344 -11.898 1.00 0.00 N ATOM 2179 CA PHE A 142 -2.583 -2.204 -12.735 1.00 0.00 C ATOM 2180 C PHE A 142 -2.411 -1.081 -13.748 1.00 0.00 C ATOM 2181 O PHE A 142 -2.720 -1.238 -14.928 1.00 0.00 O ATOM 2182 CB PHE A 142 -3.835 -1.925 -11.894 1.00 0.00 C ATOM 2183 CG PHE A 142 -3.569 -1.562 -10.465 1.00 0.00 C ATOM 2184 CD1 PHE A 142 -2.959 -2.458 -9.604 1.00 0.00 C ATOM 2185 CD2 PHE A 142 -3.945 -0.321 -9.983 1.00 0.00 C ATOM 2186 CE1 PHE A 142 -2.730 -2.122 -8.286 1.00 0.00 C ATOM 2187 CE2 PHE A 142 -3.717 0.021 -8.668 1.00 0.00 C ATOM 2188 CZ PHE A 142 -3.109 -0.881 -7.817 1.00 0.00 C ATOM 0 H PHE A 142 -1.170 -1.519 -11.341 1.00 0.00 H new ATOM 0 HA PHE A 142 -2.711 -3.151 -13.259 1.00 0.00 H new ATOM 0 HB2 PHE A 142 -4.395 -1.115 -12.361 1.00 0.00 H new ATOM 0 HB3 PHE A 142 -4.474 -2.808 -11.916 1.00 0.00 H new ATOM 0 HD1 PHE A 142 -2.659 -3.430 -9.968 1.00 0.00 H new ATOM 0 HD2 PHE A 142 -4.422 0.387 -10.644 1.00 0.00 H new ATOM 0 HE1 PHE A 142 -2.255 -2.829 -7.622 1.00 0.00 H new ATOM 0 HE2 PHE A 142 -4.013 0.993 -8.303 1.00 0.00 H new ATOM 0 HZ PHE A 142 -2.930 -0.615 -6.786 1.00 0.00 H new ATOM 2198 N ASP A 143 -1.935 0.059 -13.266 1.00 0.00 N ATOM 2199 CA ASP A 143 -1.738 1.235 -14.106 1.00 0.00 C ATOM 2200 C ASP A 143 -0.610 1.049 -15.121 1.00 0.00 C ATOM 2201 O ASP A 143 -0.345 1.938 -15.929 1.00 0.00 O ATOM 2202 CB ASP A 143 -1.456 2.453 -13.232 1.00 0.00 C ATOM 2203 CG ASP A 143 -2.724 3.049 -12.651 1.00 0.00 C ATOM 2204 OD1 ASP A 143 -3.747 2.333 -12.600 1.00 0.00 O ATOM 2205 OD2 ASP A 143 -2.697 4.231 -12.248 1.00 0.00 O ATOM 0 H ASP A 143 -1.676 0.196 -12.289 1.00 0.00 H new ATOM 0 HA ASP A 143 -2.657 1.386 -14.672 1.00 0.00 H new ATOM 0 HB2 ASP A 143 -0.786 2.168 -12.421 1.00 0.00 H new ATOM 0 HB3 ASP A 143 -0.939 3.209 -13.822 1.00 0.00 H new ATOM 2210 N GLN A 144 0.053 -0.098 -15.086 1.00 0.00 N ATOM 2211 CA GLN A 144 1.137 -0.370 -16.013 1.00 0.00 C ATOM 2212 C GLN A 144 0.660 -0.266 -17.463 1.00 0.00 C ATOM 2213 O GLN A 144 1.467 -0.087 -18.375 1.00 0.00 O ATOM 2214 CB GLN A 144 1.711 -1.759 -15.741 1.00 0.00 C ATOM 2215 CG GLN A 144 3.225 -1.804 -15.775 1.00 0.00 C ATOM 2216 CD GLN A 144 3.760 -2.545 -16.985 1.00 0.00 C ATOM 2217 OE1 GLN A 144 4.307 -1.940 -17.907 1.00 0.00 O ATOM 2218 NE2 GLN A 144 3.604 -3.863 -16.987 1.00 0.00 N ATOM 0 H GLN A 144 -0.141 -0.852 -14.427 1.00 0.00 H new ATOM 0 HA GLN A 144 1.916 0.377 -15.863 1.00 0.00 H new ATOM 0 HB2 GLN A 144 1.367 -2.101 -14.765 1.00 0.00 H new ATOM 0 HB3 GLN A 144 1.318 -2.457 -16.480 1.00 0.00 H new ATOM 0 HG2 GLN A 144 3.615 -0.786 -15.775 1.00 0.00 H new ATOM 0 HG3 GLN A 144 3.591 -2.285 -14.868 1.00 0.00 H new ATOM 0 HE21 GLN A 144 3.144 -4.323 -16.201 1.00 0.00 H new ATOM 0 HE22 GLN A 144 3.944 -4.416 -17.774 1.00 0.00 H new ATOM 2227 N TYR A 145 -0.652 -0.387 -17.673 1.00 0.00 N ATOM 2228 CA TYR A 145 -1.220 -0.314 -19.009 1.00 0.00 C ATOM 2229 C TYR A 145 -2.052 0.957 -19.200 1.00 0.00 C ATOM 2230 O TYR A 145 -2.200 1.442 -20.322 1.00 0.00 O ATOM 2231 CB TYR A 145 -2.087 -1.546 -19.289 1.00 0.00 C ATOM 2232 CG TYR A 145 -2.363 -2.418 -18.081 1.00 0.00 C ATOM 2233 CD1 TYR A 145 -1.336 -3.099 -17.439 1.00 0.00 C ATOM 2234 CD2 TYR A 145 -3.654 -2.563 -17.589 1.00 0.00 C ATOM 2235 CE1 TYR A 145 -1.589 -3.899 -16.340 1.00 0.00 C ATOM 2236 CE2 TYR A 145 -3.914 -3.359 -16.491 1.00 0.00 C ATOM 2237 CZ TYR A 145 -2.879 -4.025 -15.870 1.00 0.00 C ATOM 2238 OH TYR A 145 -3.133 -4.821 -14.776 1.00 0.00 O ATOM 0 H TYR A 145 -1.336 -0.536 -16.931 1.00 0.00 H new ATOM 0 HA TYR A 145 -0.390 -0.286 -19.715 1.00 0.00 H new ATOM 0 HB2 TYR A 145 -3.038 -1.216 -19.706 1.00 0.00 H new ATOM 0 HB3 TYR A 145 -1.598 -2.151 -20.052 1.00 0.00 H new ATOM 0 HD1 TYR A 145 -0.324 -3.002 -17.804 1.00 0.00 H new ATOM 0 HD2 TYR A 145 -4.468 -2.044 -18.073 1.00 0.00 H new ATOM 0 HE1 TYR A 145 -0.780 -4.423 -15.852 1.00 0.00 H new ATOM 0 HE2 TYR A 145 -4.923 -3.459 -16.120 1.00 0.00 H new ATOM 0 HH TYR A 145 -2.304 -4.959 -14.272 1.00 0.00 H new ATOM 2248 N LEU A 146 -2.599 1.491 -18.109 1.00 0.00 N ATOM 2249 CA LEU A 146 -3.417 2.702 -18.185 1.00 0.00 C ATOM 2250 C LEU A 146 -3.017 3.716 -17.116 1.00 0.00 C ATOM 2251 O LEU A 146 -2.042 3.519 -16.394 1.00 0.00 O ATOM 2252 CB LEU A 146 -4.914 2.363 -18.066 1.00 0.00 C ATOM 2253 CG LEU A 146 -5.335 1.516 -16.853 1.00 0.00 C ATOM 2254 CD1 LEU A 146 -4.691 0.141 -16.901 1.00 0.00 C ATOM 2255 CD2 LEU A 146 -5.003 2.219 -15.543 1.00 0.00 C ATOM 0 H LEU A 146 -2.493 1.109 -17.169 1.00 0.00 H new ATOM 0 HA LEU A 146 -3.239 3.153 -19.161 1.00 0.00 H new ATOM 0 HB2 LEU A 146 -5.474 3.298 -18.039 1.00 0.00 H new ATOM 0 HB3 LEU A 146 -5.217 1.836 -18.971 1.00 0.00 H new ATOM 0 HG LEU A 146 -6.417 1.390 -16.900 1.00 0.00 H new ATOM 0 HD11 LEU A 146 -5.005 -0.438 -16.032 1.00 0.00 H new ATOM 0 HD12 LEU A 146 -4.999 -0.374 -17.811 1.00 0.00 H new ATOM 0 HD13 LEU A 146 -3.606 0.247 -16.894 1.00 0.00 H new ATOM 0 HD21 LEU A 146 -5.313 1.594 -14.706 1.00 0.00 H new ATOM 0 HD22 LEU A 146 -3.929 2.394 -15.486 1.00 0.00 H new ATOM 0 HD23 LEU A 146 -5.529 3.173 -15.498 1.00 0.00 H new ATOM 2267 N ASN A 147 -3.776 4.803 -17.021 1.00 0.00 N ATOM 2268 CA ASN A 147 -3.498 5.844 -16.039 1.00 0.00 C ATOM 2269 C ASN A 147 -2.130 6.472 -16.287 1.00 0.00 C ATOM 2270 O ASN A 147 -1.360 5.912 -17.095 1.00 0.00 O ATOM 2271 CB ASN A 147 -3.559 5.268 -14.623 1.00 0.00 C ATOM 2272 CG ASN A 147 -4.068 6.275 -13.611 1.00 0.00 C ATOM 2273 OD1 ASN A 147 -4.745 5.787 -12.578 1.00 0.00 O flip ATOM 2274 ND2 ASN A 147 -3.854 7.479 -13.754 1.00 0.00 N flip ATOM 2275 OXT ASN A 147 -1.842 7.520 -15.672 1.00 0.00 O ATOM 0 H ASN A 147 -4.587 4.985 -17.612 1.00 0.00 H new ATOM 0 HA ASN A 147 -4.258 6.619 -16.141 1.00 0.00 H new ATOM 0 HB2 ASN A 147 -4.208 4.392 -14.618 1.00 0.00 H new ATOM 0 HB3 ASN A 147 -2.565 4.931 -14.328 1.00 0.00 H new ATOM 0 HD21 ASN A 147 -3.329 7.811 -14.563 1.00 0.00 H new ATOM 0 HD22 ASN A 147 -4.202 8.144 -13.063 1.00 0.00 H new