USER MOD reduce.3.24.130724 H: found=0, std=0, add=858, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 862 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 Single : A 2 LYS NZ :NH3+ 151:sc= 0 (180deg=-0.34) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot -44:sc= 0.976 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 131:sc= -1.92! USER MOD Single : A 26 TYR OH : rot 180:sc= -0.927 USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 30 THR OG1 : rot 4:sc= 0.61 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.903 USER MOD Single : A 39 LYS NZ :NH3+ 151:sc= -0.373 (180deg=-1.5!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 MET CE :methyl 178:sc= 0 (180deg=-0.00268) USER MOD Single : A 62 ASN : amide:sc= -0.234 X(o=-0.23,f=-0.61) USER MOD Single : A 68 LYS NZ :NH3+ -128:sc= 1.1 (180deg=-0.868) USER MOD Single : A 70 ASN : amide:sc= -4.91! K(o=-4.9!,f=-2) USER MOD Single : A 71 SER OG : rot 53:sc= 0.0567 USER MOD Single : A 74 SER OG : rot 147:sc= 0.015 USER MOD Single : A 80 THR OG1 : rot -73:sc= -3.72! USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 114 LYS NZ :NH3+ 146:sc= -1.32 (180deg=-3.53!) USER MOD Single : A 115 HIS : no HD1:sc= 0 X(o=0,f=-0.00014) USER MOD ----------------------------------------------------------------- ATOM 20 N LYS A 2 -1.493 0.859 14.136 1.00 0.00 N ATOM 21 CA LYS A 2 -0.853 -0.001 13.147 1.00 0.00 C ATOM 22 C LYS A 2 -1.862 -0.485 12.109 1.00 0.00 C ATOM 23 O LYS A 2 -2.569 -1.468 12.328 1.00 0.00 O ATOM 24 CB LYS A 2 -0.196 -1.197 13.836 1.00 0.00 C ATOM 25 CG LYS A 2 0.838 -0.808 14.879 1.00 0.00 C ATOM 26 CD LYS A 2 2.054 -0.155 14.240 1.00 0.00 C ATOM 27 CE LYS A 2 2.885 0.598 15.265 1.00 0.00 C ATOM 28 NZ LYS A 2 4.344 0.494 14.984 1.00 0.00 N ATOM 0 HA LYS A 2 -0.087 0.581 12.634 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -0.969 -1.801 14.311 1.00 0.00 H new ATOM 0 HB3 LYS A 2 0.280 -1.824 13.082 1.00 0.00 H new ATOM 0 HG2 LYS A 2 0.391 -0.122 15.598 1.00 0.00 H new ATOM 0 HG3 LYS A 2 1.148 -1.694 15.434 1.00 0.00 H new ATOM 0 HD2 LYS A 2 2.668 -0.918 13.761 1.00 0.00 H new ATOM 0 HD3 LYS A 2 1.731 0.531 13.457 1.00 0.00 H new ATOM 0 HE2 LYS A 2 2.591 1.647 15.270 1.00 0.00 H new ATOM 0 HE3 LYS A 2 2.678 0.204 16.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 4.827 1.344 15.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 4.730 -0.347 15.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 4.495 0.413 13.958 1.00 0.00 H new ATOM 42 N ARG A 3 -1.922 0.213 10.980 1.00 0.00 N ATOM 43 CA ARG A 3 -2.844 -0.144 9.906 1.00 0.00 C ATOM 44 C ARG A 3 -2.222 0.128 8.540 1.00 0.00 C ATOM 45 O ARG A 3 -1.624 1.181 8.320 1.00 0.00 O ATOM 46 CB ARG A 3 -4.153 0.641 10.039 1.00 0.00 C ATOM 47 CG ARG A 3 -4.600 0.856 11.476 1.00 0.00 C ATOM 48 CD ARG A 3 -4.004 2.128 12.060 1.00 0.00 C ATOM 49 NE ARG A 3 -4.993 2.900 12.810 1.00 0.00 N ATOM 50 CZ ARG A 3 -4.871 4.198 13.080 1.00 0.00 C ATOM 51 NH1 ARG A 3 -3.805 4.873 12.667 1.00 0.00 N ATOM 52 NH2 ARG A 3 -5.818 4.822 13.766 1.00 0.00 N ATOM 0 H ARG A 3 -1.343 1.030 10.784 1.00 0.00 H new ATOM 0 HA ARG A 3 -3.055 -1.210 9.989 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -4.034 1.611 9.557 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -4.939 0.112 9.500 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -5.688 0.911 11.516 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -4.302 0.001 12.083 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -3.171 1.871 12.715 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -3.599 2.742 11.255 1.00 0.00 H new ATOM 0 HE ARG A 3 -5.825 2.416 13.146 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -3.073 4.397 12.139 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -3.718 5.867 12.877 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -6.639 4.308 14.086 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -5.726 5.816 13.974 1.00 0.00 H new ATOM 66 N VAL A 4 -2.372 -0.820 7.620 1.00 0.00 N ATOM 67 CA VAL A 4 -1.830 -0.667 6.274 1.00 0.00 C ATOM 68 C VAL A 4 -2.910 -0.903 5.225 1.00 0.00 C ATOM 69 O VAL A 4 -3.785 -1.750 5.398 1.00 0.00 O ATOM 70 CB VAL A 4 -0.654 -1.632 6.017 1.00 0.00 C ATOM 71 CG1 VAL A 4 0.039 -1.290 4.705 1.00 0.00 C ATOM 72 CG2 VAL A 4 0.334 -1.595 7.173 1.00 0.00 C ATOM 0 H VAL A 4 -2.863 -1.700 7.781 1.00 0.00 H new ATOM 0 HA VAL A 4 -1.463 0.356 6.196 1.00 0.00 H new ATOM 0 HB VAL A 4 -1.050 -2.645 5.942 1.00 0.00 H new ATOM 0 HG11 VAL A 4 0.866 -1.981 4.540 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -0.674 -1.374 3.884 1.00 0.00 H new ATOM 0 HG13 VAL A 4 0.421 -0.270 4.751 1.00 0.00 H new ATOM 0 HG21 VAL A 4 1.155 -2.283 6.972 1.00 0.00 H new ATOM 0 HG22 VAL A 4 0.726 -0.584 7.284 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -0.171 -1.892 8.092 1.00 0.00 H new ATOM 82 N LEU A 5 -2.844 -0.146 4.136 1.00 0.00 N ATOM 83 CA LEU A 5 -3.818 -0.267 3.060 1.00 0.00 C ATOM 84 C LEU A 5 -3.259 -1.098 1.912 1.00 0.00 C ATOM 85 O LEU A 5 -2.192 -0.798 1.377 1.00 0.00 O ATOM 86 CB LEU A 5 -4.220 1.118 2.547 1.00 0.00 C ATOM 87 CG LEU A 5 -5.460 1.143 1.654 1.00 0.00 C ATOM 88 CD1 LEU A 5 -6.610 0.405 2.320 1.00 0.00 C ATOM 89 CD2 LEU A 5 -5.857 2.576 1.332 1.00 0.00 C ATOM 0 H LEU A 5 -2.125 0.559 3.976 1.00 0.00 H new ATOM 0 HA LEU A 5 -4.699 -0.771 3.459 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -4.395 1.769 3.404 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -3.382 1.540 1.991 1.00 0.00 H new ATOM 0 HG LEU A 5 -5.222 0.636 0.719 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -7.485 0.433 1.670 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -6.323 -0.631 2.498 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -6.848 0.884 3.270 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -6.742 2.574 0.695 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -6.077 3.109 2.257 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -5.037 3.073 0.813 1.00 0.00 H new ATOM 101 N VAL A 6 -3.988 -2.142 1.535 1.00 0.00 N ATOM 102 CA VAL A 6 -3.561 -3.010 0.444 1.00 0.00 C ATOM 103 C VAL A 6 -4.485 -2.875 -0.761 1.00 0.00 C ATOM 104 O VAL A 6 -5.462 -3.611 -0.894 1.00 0.00 O ATOM 105 CB VAL A 6 -3.514 -4.488 0.873 1.00 0.00 C ATOM 106 CG1 VAL A 6 -2.888 -5.338 -0.221 1.00 0.00 C ATOM 107 CG2 VAL A 6 -2.749 -4.644 2.180 1.00 0.00 C ATOM 0 H VAL A 6 -4.873 -2.407 1.966 1.00 0.00 H new ATOM 0 HA VAL A 6 -2.556 -2.690 0.170 1.00 0.00 H new ATOM 0 HB VAL A 6 -4.535 -4.833 1.034 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -2.862 -6.380 0.098 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -3.480 -5.252 -1.132 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -1.872 -4.992 -0.414 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -2.727 -5.696 2.466 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -1.729 -4.282 2.050 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -3.242 -4.066 2.961 1.00 0.00 H new ATOM 117 N VAL A 7 -4.166 -1.930 -1.638 1.00 0.00 N ATOM 118 CA VAL A 7 -4.964 -1.700 -2.836 1.00 0.00 C ATOM 119 C VAL A 7 -4.602 -2.701 -3.925 1.00 0.00 C ATOM 120 O VAL A 7 -3.564 -2.578 -4.575 1.00 0.00 O ATOM 121 CB VAL A 7 -4.768 -0.271 -3.378 1.00 0.00 C ATOM 122 CG1 VAL A 7 -5.734 0.009 -4.520 1.00 0.00 C ATOM 123 CG2 VAL A 7 -4.938 0.750 -2.263 1.00 0.00 C ATOM 0 H VAL A 7 -3.361 -1.311 -1.542 1.00 0.00 H new ATOM 0 HA VAL A 7 -6.009 -1.829 -2.555 1.00 0.00 H new ATOM 0 HB VAL A 7 -3.753 -0.187 -3.766 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -5.578 1.023 -4.888 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -5.558 -0.701 -5.328 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -6.759 -0.094 -4.163 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -4.796 1.754 -2.664 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -5.940 0.666 -1.842 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -4.200 0.563 -1.483 1.00 0.00 H new ATOM 133 N ASP A 8 -5.459 -3.698 -4.114 1.00 0.00 N ATOM 134 CA ASP A 8 -5.220 -4.724 -5.120 1.00 0.00 C ATOM 135 C ASP A 8 -6.495 -5.047 -5.889 1.00 0.00 C ATOM 136 O ASP A 8 -7.577 -5.144 -5.309 1.00 0.00 O ATOM 137 CB ASP A 8 -4.672 -5.991 -4.459 1.00 0.00 C ATOM 138 CG ASP A 8 -4.352 -7.079 -5.465 1.00 0.00 C ATOM 139 OD1 ASP A 8 -4.004 -6.740 -6.616 1.00 0.00 O ATOM 140 OD2 ASP A 8 -4.450 -8.270 -5.102 1.00 0.00 O ATOM 0 H ASP A 8 -6.323 -3.817 -3.585 1.00 0.00 H new ATOM 0 HA ASP A 8 -4.484 -4.340 -5.827 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -3.771 -5.743 -3.898 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -5.401 -6.367 -3.742 1.00 0.00 H new ATOM 145 N ASP A 9 -6.357 -5.218 -7.199 1.00 0.00 N ATOM 146 CA ASP A 9 -7.492 -5.536 -8.056 1.00 0.00 C ATOM 147 C ASP A 9 -7.597 -7.043 -8.275 1.00 0.00 C ATOM 148 O ASP A 9 -7.919 -7.501 -9.373 1.00 0.00 O ATOM 149 CB ASP A 9 -7.358 -4.818 -9.401 1.00 0.00 C ATOM 150 CG ASP A 9 -8.580 -5.002 -10.280 1.00 0.00 C ATOM 151 OD1 ASP A 9 -9.572 -4.271 -10.077 1.00 0.00 O ATOM 152 OD2 ASP A 9 -8.544 -5.877 -11.170 1.00 0.00 O ATOM 0 H ASP A 9 -5.467 -5.141 -7.692 1.00 0.00 H new ATOM 0 HA ASP A 9 -8.401 -5.194 -7.561 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -7.196 -3.754 -9.227 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -6.478 -5.193 -9.924 1.00 0.00 H new ATOM 157 N GLU A 10 -7.320 -7.810 -7.223 1.00 0.00 N ATOM 158 CA GLU A 10 -7.379 -9.265 -7.299 1.00 0.00 C ATOM 159 C GLU A 10 -7.749 -9.865 -5.946 1.00 0.00 C ATOM 160 O GLU A 10 -7.685 -9.190 -4.918 1.00 0.00 O ATOM 161 CB GLU A 10 -6.035 -9.827 -7.766 1.00 0.00 C ATOM 162 CG GLU A 10 -6.137 -11.197 -8.417 1.00 0.00 C ATOM 163 CD GLU A 10 -7.159 -11.238 -9.537 1.00 0.00 C ATOM 164 OE1 GLU A 10 -7.402 -10.182 -10.156 1.00 0.00 O ATOM 165 OE2 GLU A 10 -7.716 -12.326 -9.793 1.00 0.00 O ATOM 0 H GLU A 10 -7.053 -7.447 -6.308 1.00 0.00 H new ATOM 0 HA GLU A 10 -8.150 -9.535 -8.021 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -5.587 -9.131 -8.475 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -5.361 -9.890 -6.912 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -5.161 -11.481 -8.811 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -6.403 -11.935 -7.661 1.00 0.00 H new ATOM 217 N THR A 14 -4.552 -10.097 -0.578 1.00 0.00 N ATOM 218 CA THR A 14 -5.424 -9.790 0.553 1.00 0.00 C ATOM 219 C THR A 14 -5.784 -11.051 1.336 1.00 0.00 C ATOM 220 O THR A 14 -6.139 -10.979 2.513 1.00 0.00 O ATOM 221 CB THR A 14 -6.697 -9.097 0.065 1.00 0.00 C ATOM 222 OG1 THR A 14 -7.513 -10.000 -0.660 1.00 0.00 O ATOM 223 CG2 THR A 14 -6.426 -7.905 -0.828 1.00 0.00 C ATOM 0 HA THR A 14 -4.882 -9.120 1.221 1.00 0.00 H new ATOM 0 HB THR A 14 -7.199 -8.747 0.967 1.00 0.00 H new ATOM 0 HG1 THR A 14 -8.323 -9.539 -0.962 1.00 0.00 H new ATOM 0 HG21 THR A 14 -7.372 -7.460 -1.138 1.00 0.00 H new ATOM 0 HG22 THR A 14 -5.840 -7.166 -0.281 1.00 0.00 H new ATOM 0 HG23 THR A 14 -5.871 -8.229 -1.709 1.00 0.00 H new ATOM 231 N SER A 15 -5.691 -12.207 0.680 1.00 0.00 N ATOM 232 CA SER A 15 -6.007 -13.479 1.322 1.00 0.00 C ATOM 233 C SER A 15 -4.774 -14.096 1.981 1.00 0.00 C ATOM 234 O SER A 15 -4.716 -15.307 2.194 1.00 0.00 O ATOM 235 CB SER A 15 -6.590 -14.455 0.299 1.00 0.00 C ATOM 236 OG SER A 15 -7.008 -15.658 0.922 1.00 0.00 O ATOM 0 H SER A 15 -5.400 -12.287 -0.294 1.00 0.00 H new ATOM 0 HA SER A 15 -6.745 -13.283 2.100 1.00 0.00 H new ATOM 0 HB2 SER A 15 -7.436 -13.992 -0.209 1.00 0.00 H new ATOM 0 HB3 SER A 15 -5.843 -14.677 -0.463 1.00 0.00 H new ATOM 0 HG SER A 15 -6.322 -15.954 1.556 1.00 0.00 H new ATOM 242 N SER A 16 -3.791 -13.260 2.304 1.00 0.00 N ATOM 243 CA SER A 16 -2.565 -13.730 2.939 1.00 0.00 C ATOM 244 C SER A 16 -1.805 -12.565 3.566 1.00 0.00 C ATOM 245 O SER A 16 -1.477 -12.589 4.753 1.00 0.00 O ATOM 246 CB SER A 16 -1.676 -14.445 1.920 1.00 0.00 C ATOM 247 OG SER A 16 -0.451 -14.849 2.505 1.00 0.00 O ATOM 0 H SER A 16 -3.820 -12.254 2.136 1.00 0.00 H new ATOM 0 HA SER A 16 -2.837 -14.434 3.725 1.00 0.00 H new ATOM 0 HB2 SER A 16 -2.199 -15.316 1.525 1.00 0.00 H new ATOM 0 HB3 SER A 16 -1.479 -13.783 1.077 1.00 0.00 H new ATOM 0 HG SER A 16 0.098 -15.305 1.833 1.00 0.00 H new ATOM 253 N LEU A 17 -1.536 -11.545 2.759 1.00 0.00 N ATOM 254 CA LEU A 17 -0.822 -10.362 3.225 1.00 0.00 C ATOM 255 C LEU A 17 -1.561 -9.715 4.392 1.00 0.00 C ATOM 256 O LEU A 17 -0.973 -9.453 5.441 1.00 0.00 O ATOM 257 CB LEU A 17 -0.657 -9.365 2.071 1.00 0.00 C ATOM 258 CG LEU A 17 -0.013 -8.020 2.429 1.00 0.00 C ATOM 259 CD1 LEU A 17 -1.070 -7.028 2.888 1.00 0.00 C ATOM 260 CD2 LEU A 17 1.066 -8.194 3.489 1.00 0.00 C ATOM 0 H LEU A 17 -1.803 -11.514 1.775 1.00 0.00 H new ATOM 0 HA LEU A 17 0.166 -10.662 3.575 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -0.057 -9.837 1.293 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -1.640 -9.171 1.642 1.00 0.00 H new ATOM 0 HG LEU A 17 0.463 -7.623 1.533 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.595 -6.079 3.138 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -1.794 -6.872 2.088 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.580 -7.421 3.767 1.00 0.00 H new ATOM 0 HD21 LEU A 17 1.505 -7.224 3.723 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.625 -8.620 4.390 1.00 0.00 H new ATOM 0 HD23 LEU A 17 1.841 -8.862 3.113 1.00 0.00 H new ATOM 272 N SER A 18 -2.856 -9.471 4.211 1.00 0.00 N ATOM 273 CA SER A 18 -3.667 -8.870 5.263 1.00 0.00 C ATOM 274 C SER A 18 -3.602 -9.715 6.530 1.00 0.00 C ATOM 275 O SER A 18 -3.307 -9.212 7.613 1.00 0.00 O ATOM 276 CB SER A 18 -5.119 -8.724 4.801 1.00 0.00 C ATOM 277 OG SER A 18 -5.202 -8.649 3.389 1.00 0.00 O ATOM 0 H SER A 18 -3.363 -9.679 3.351 1.00 0.00 H new ATOM 0 HA SER A 18 -3.269 -7.879 5.482 1.00 0.00 H new ATOM 0 HB2 SER A 18 -5.704 -9.572 5.158 1.00 0.00 H new ATOM 0 HB3 SER A 18 -5.555 -7.828 5.242 1.00 0.00 H new ATOM 0 HG SER A 18 -5.879 -9.281 3.067 1.00 0.00 H new ATOM 283 N ALA A 19 -3.865 -11.010 6.383 1.00 0.00 N ATOM 284 CA ALA A 19 -3.821 -11.930 7.513 1.00 0.00 C ATOM 285 C ALA A 19 -2.466 -11.860 8.207 1.00 0.00 C ATOM 286 O ALA A 19 -2.378 -11.901 9.434 1.00 0.00 O ATOM 287 CB ALA A 19 -4.104 -13.349 7.048 1.00 0.00 C ATOM 0 H ALA A 19 -4.110 -11.445 5.494 1.00 0.00 H new ATOM 0 HA ALA A 19 -4.590 -11.637 8.228 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -4.068 -14.026 7.902 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -5.093 -13.392 6.592 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -3.354 -13.648 6.316 1.00 0.00 H new ATOM 293 N ILE A 20 -1.411 -11.745 7.405 1.00 0.00 N ATOM 294 CA ILE A 20 -0.055 -11.658 7.930 1.00 0.00 C ATOM 295 C ILE A 20 0.082 -10.468 8.872 1.00 0.00 C ATOM 296 O ILE A 20 0.277 -10.640 10.074 1.00 0.00 O ATOM 297 CB ILE A 20 0.983 -11.544 6.786 1.00 0.00 C ATOM 298 CG1 ILE A 20 1.165 -12.896 6.102 1.00 0.00 C ATOM 299 CG2 ILE A 20 2.318 -11.028 7.306 1.00 0.00 C ATOM 300 CD1 ILE A 20 1.775 -12.793 4.722 1.00 0.00 C ATOM 0 H ILE A 20 -1.471 -11.710 6.387 1.00 0.00 H new ATOM 0 HA ILE A 20 0.142 -12.575 8.485 1.00 0.00 H new ATOM 0 HB ILE A 20 0.607 -10.827 6.056 1.00 0.00 H new ATOM 0 HG12 ILE A 20 1.798 -13.528 6.725 1.00 0.00 H new ATOM 0 HG13 ILE A 20 0.196 -13.390 6.027 1.00 0.00 H new ATOM 0 HG21 ILE A 20 3.027 -10.958 6.481 1.00 0.00 H new ATOM 0 HG22 ILE A 20 2.179 -10.042 7.750 1.00 0.00 H new ATOM 0 HG23 ILE A 20 2.705 -11.714 8.060 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.876 -13.790 4.294 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.131 -12.187 4.084 1.00 0.00 H new ATOM 0 HD13 ILE A 20 2.758 -12.327 4.792 1.00 0.00 H new ATOM 312 N LEU A 21 -0.030 -9.261 8.326 1.00 0.00 N ATOM 313 CA LEU A 21 0.070 -8.054 9.135 1.00 0.00 C ATOM 314 C LEU A 21 -0.841 -8.155 10.354 1.00 0.00 C ATOM 315 O LEU A 21 -0.539 -7.618 11.419 1.00 0.00 O ATOM 316 CB LEU A 21 -0.299 -6.839 8.297 1.00 0.00 C ATOM 317 CG LEU A 21 0.500 -6.703 7.005 1.00 0.00 C ATOM 318 CD1 LEU A 21 -0.426 -6.437 5.833 1.00 0.00 C ATOM 319 CD2 LEU A 21 1.539 -5.601 7.139 1.00 0.00 C ATOM 0 H LEU A 21 -0.189 -9.094 7.332 1.00 0.00 H new ATOM 0 HA LEU A 21 1.097 -7.945 9.482 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -1.360 -6.890 8.051 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -0.154 -5.941 8.897 1.00 0.00 H new ATOM 0 HG LEU A 21 1.022 -7.641 6.817 1.00 0.00 H new ATOM 0 HD11 LEU A 21 0.161 -6.343 4.919 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -1.128 -7.264 5.729 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.977 -5.513 6.007 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.101 -5.516 6.209 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.041 -4.655 7.350 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.221 -5.841 7.955 1.00 0.00 H new ATOM 331 N GLU A 22 -1.954 -8.864 10.189 1.00 0.00 N ATOM 332 CA GLU A 22 -2.906 -9.055 11.273 1.00 0.00 C ATOM 333 C GLU A 22 -2.269 -9.855 12.403 1.00 0.00 C ATOM 334 O GLU A 22 -2.606 -9.671 13.572 1.00 0.00 O ATOM 335 CB GLU A 22 -4.157 -9.765 10.767 1.00 0.00 C ATOM 336 CG GLU A 22 -5.427 -9.354 11.496 1.00 0.00 C ATOM 337 CD GLU A 22 -6.268 -10.541 11.924 1.00 0.00 C ATOM 338 OE1 GLU A 22 -5.909 -11.191 12.928 1.00 0.00 O ATOM 339 OE2 GLU A 22 -7.286 -10.819 11.256 1.00 0.00 O ATOM 0 H GLU A 22 -2.217 -9.315 9.313 1.00 0.00 H new ATOM 0 HA GLU A 22 -3.193 -8.075 11.655 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -4.276 -9.560 9.703 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -4.021 -10.841 10.871 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -5.162 -8.766 12.375 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -6.020 -8.709 10.848 1.00 0.00 H new ATOM 346 N GLU A 23 -1.337 -10.737 12.046 1.00 0.00 N ATOM 347 CA GLU A 23 -0.645 -11.553 13.031 1.00 0.00 C ATOM 348 C GLU A 23 0.473 -10.747 13.685 1.00 0.00 C ATOM 349 O GLU A 23 0.758 -10.906 14.872 1.00 0.00 O ATOM 350 CB GLU A 23 -0.082 -12.811 12.364 1.00 0.00 C ATOM 351 CG GLU A 23 0.974 -13.527 13.191 1.00 0.00 C ATOM 352 CD GLU A 23 0.791 -15.032 13.197 1.00 0.00 C ATOM 353 OE1 GLU A 23 -0.267 -15.501 13.666 1.00 0.00 O ATOM 354 OE2 GLU A 23 1.708 -15.743 12.733 1.00 0.00 O ATOM 0 H GLU A 23 -1.047 -10.902 11.082 1.00 0.00 H new ATOM 0 HA GLU A 23 -1.351 -11.856 13.804 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -0.901 -13.501 12.163 1.00 0.00 H new ATOM 0 HB3 GLU A 23 0.349 -12.538 11.401 1.00 0.00 H new ATOM 0 HG2 GLU A 23 1.962 -13.287 12.798 1.00 0.00 H new ATOM 0 HG3 GLU A 23 0.940 -13.157 14.216 1.00 0.00 H new ATOM 361 N GLU A 24 1.099 -9.879 12.898 1.00 0.00 N ATOM 362 CA GLU A 24 2.185 -9.040 13.392 1.00 0.00 C ATOM 363 C GLU A 24 1.652 -7.900 14.261 1.00 0.00 C ATOM 364 O GLU A 24 2.417 -7.220 14.942 1.00 0.00 O ATOM 365 CB GLU A 24 2.986 -8.466 12.220 1.00 0.00 C ATOM 366 CG GLU A 24 3.437 -9.518 11.220 1.00 0.00 C ATOM 367 CD GLU A 24 4.367 -10.545 11.835 1.00 0.00 C ATOM 368 OE1 GLU A 24 5.451 -10.152 12.316 1.00 0.00 O ATOM 369 OE2 GLU A 24 4.012 -11.742 11.836 1.00 0.00 O ATOM 0 H GLU A 24 0.873 -9.738 11.914 1.00 0.00 H new ATOM 0 HA GLU A 24 2.837 -9.663 14.005 1.00 0.00 H new ATOM 0 HB2 GLU A 24 2.378 -7.723 11.704 1.00 0.00 H new ATOM 0 HB3 GLU A 24 3.862 -7.947 12.609 1.00 0.00 H new ATOM 0 HG2 GLU A 24 2.562 -10.024 10.811 1.00 0.00 H new ATOM 0 HG3 GLU A 24 3.941 -9.029 10.386 1.00 0.00 H new ATOM 376 N GLY A 25 0.336 -7.695 14.229 1.00 0.00 N ATOM 377 CA GLY A 25 -0.266 -6.638 15.014 1.00 0.00 C ATOM 378 C GLY A 25 -0.568 -5.408 14.182 1.00 0.00 C ATOM 379 O GLY A 25 -0.153 -4.300 14.523 1.00 0.00 O ATOM 0 H GLY A 25 -0.320 -8.243 13.673 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -1.188 -7.004 15.466 1.00 0.00 H new ATOM 0 HA3 GLY A 25 0.404 -6.367 15.830 1.00 0.00 H new ATOM 383 N TYR A 26 -1.292 -5.603 13.085 1.00 0.00 N ATOM 384 CA TYR A 26 -1.649 -4.504 12.196 1.00 0.00 C ATOM 385 C TYR A 26 -3.155 -4.454 11.962 1.00 0.00 C ATOM 386 O TYR A 26 -3.912 -5.234 12.540 1.00 0.00 O ATOM 387 CB TYR A 26 -0.922 -4.652 10.858 1.00 0.00 C ATOM 388 CG TYR A 26 0.562 -4.372 10.936 1.00 0.00 C ATOM 389 CD1 TYR A 26 1.035 -3.078 11.099 1.00 0.00 C ATOM 390 CD2 TYR A 26 1.490 -5.403 10.848 1.00 0.00 C ATOM 391 CE1 TYR A 26 2.390 -2.816 11.172 1.00 0.00 C ATOM 392 CE2 TYR A 26 2.846 -5.151 10.921 1.00 0.00 C ATOM 393 CZ TYR A 26 3.291 -3.856 11.083 1.00 0.00 C ATOM 394 OH TYR A 26 4.640 -3.601 11.157 1.00 0.00 O ATOM 0 H TYR A 26 -1.644 -6.514 12.790 1.00 0.00 H new ATOM 0 HA TYR A 26 -1.344 -3.572 12.673 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -1.072 -5.665 10.484 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -1.373 -3.974 10.133 1.00 0.00 H new ATOM 0 HD1 TYR A 26 0.332 -2.261 11.170 1.00 0.00 H new ATOM 0 HD2 TYR A 26 1.145 -6.418 10.720 1.00 0.00 H new ATOM 0 HE1 TYR A 26 2.741 -1.802 11.298 1.00 0.00 H new ATOM 0 HE2 TYR A 26 3.554 -5.964 10.852 1.00 0.00 H new ATOM 0 HH TYR A 26 5.137 -4.442 11.078 1.00 0.00 H new ATOM 404 N HIS A 27 -3.579 -3.533 11.104 1.00 0.00 N ATOM 405 CA HIS A 27 -4.992 -3.373 10.780 1.00 0.00 C ATOM 406 C HIS A 27 -5.179 -3.157 9.281 1.00 0.00 C ATOM 407 O HIS A 27 -5.492 -2.054 8.833 1.00 0.00 O ATOM 408 CB HIS A 27 -5.585 -2.197 11.560 1.00 0.00 C ATOM 409 CG HIS A 27 -6.954 -2.469 12.101 1.00 0.00 C ATOM 410 ND1 HIS A 27 -7.178 -2.953 13.372 1.00 0.00 N ATOM 411 CD2 HIS A 27 -8.176 -2.322 11.536 1.00 0.00 C ATOM 412 CE1 HIS A 27 -8.477 -3.093 13.566 1.00 0.00 C ATOM 413 NE2 HIS A 27 -9.105 -2.716 12.467 1.00 0.00 N ATOM 0 H HIS A 27 -2.961 -2.883 10.618 1.00 0.00 H new ATOM 0 HA HIS A 27 -5.515 -4.285 11.066 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -4.920 -1.947 12.386 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -5.627 -1.324 10.909 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -8.381 -1.962 10.539 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -8.946 -3.454 14.469 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -10.116 -2.717 12.332 1.00 0.00 H new ATOM 422 N PRO A 28 -4.980 -4.217 8.483 1.00 0.00 N ATOM 423 CA PRO A 28 -5.119 -4.150 7.024 1.00 0.00 C ATOM 424 C PRO A 28 -6.522 -3.745 6.586 1.00 0.00 C ATOM 425 O PRO A 28 -7.517 -4.197 7.153 1.00 0.00 O ATOM 426 CB PRO A 28 -4.807 -5.576 6.558 1.00 0.00 C ATOM 427 CG PRO A 28 -4.073 -6.208 7.690 1.00 0.00 C ATOM 428 CD PRO A 28 -4.598 -5.561 8.939 1.00 0.00 C ATOM 0 HA PRO A 28 -4.459 -3.396 6.596 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -5.721 -6.123 6.328 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -4.202 -5.570 5.651 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -4.239 -7.285 7.709 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -2.998 -6.053 7.593 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -5.449 -6.105 9.348 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -3.840 -5.521 9.721 1.00 0.00 H new ATOM 436 N ASP A 29 -6.588 -2.886 5.574 1.00 0.00 N ATOM 437 CA ASP A 29 -7.876 -2.420 5.067 1.00 0.00 C ATOM 438 C ASP A 29 -8.081 -2.741 3.598 1.00 0.00 C ATOM 439 O ASP A 29 -9.080 -2.334 3.006 1.00 0.00 O ATOM 440 CB ASP A 29 -8.054 -0.927 5.319 1.00 0.00 C ATOM 441 CG ASP A 29 -9.494 -0.560 5.623 1.00 0.00 C ATOM 442 OD1 ASP A 29 -10.056 -1.114 6.591 1.00 0.00 O ATOM 443 OD2 ASP A 29 -10.059 0.282 4.894 1.00 0.00 O ATOM 0 H ASP A 29 -5.775 -2.501 5.093 1.00 0.00 H new ATOM 0 HA ASP A 29 -8.641 -2.965 5.620 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -7.421 -0.624 6.153 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -7.717 -0.371 4.444 1.00 0.00 H new ATOM 448 N THR A 30 -7.129 -3.463 3.029 1.00 0.00 N ATOM 449 CA THR A 30 -7.138 -3.879 1.616 1.00 0.00 C ATOM 450 C THR A 30 -8.316 -3.339 0.806 1.00 0.00 C ATOM 451 O THR A 30 -9.480 -3.571 1.134 1.00 0.00 O ATOM 452 CB THR A 30 -7.123 -5.403 1.520 1.00 0.00 C ATOM 453 OG1 THR A 30 -8.402 -5.937 1.813 1.00 0.00 O ATOM 454 CG2 THR A 30 -6.127 -6.054 2.455 1.00 0.00 C ATOM 0 H THR A 30 -6.307 -3.788 3.538 1.00 0.00 H new ATOM 0 HA THR A 30 -6.238 -3.447 1.179 1.00 0.00 H new ATOM 0 HB THR A 30 -6.829 -5.624 0.494 1.00 0.00 H new ATOM 0 HG1 THR A 30 -9.039 -5.205 1.950 1.00 0.00 H new ATOM 0 HG21 THR A 30 -6.169 -7.137 2.335 1.00 0.00 H new ATOM 0 HG22 THR A 30 -5.123 -5.701 2.220 1.00 0.00 H new ATOM 0 HG23 THR A 30 -6.371 -5.794 3.485 1.00 0.00 H new ATOM 462 N ALA A 31 -7.992 -2.642 -0.278 1.00 0.00 N ATOM 463 CA ALA A 31 -9.002 -2.084 -1.169 1.00 0.00 C ATOM 464 C ALA A 31 -9.088 -2.903 -2.455 1.00 0.00 C ATOM 465 O ALA A 31 -8.608 -4.035 -2.511 1.00 0.00 O ATOM 466 CB ALA A 31 -8.685 -0.629 -1.480 1.00 0.00 C ATOM 0 H ALA A 31 -7.031 -2.449 -0.562 1.00 0.00 H new ATOM 0 HA ALA A 31 -9.970 -2.127 -0.670 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -9.447 -0.225 -2.146 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -8.670 -0.054 -0.554 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -7.710 -0.564 -1.963 1.00 0.00 H new ATOM 472 N LYS A 32 -9.701 -2.329 -3.486 1.00 0.00 N ATOM 473 CA LYS A 32 -9.843 -3.020 -4.766 1.00 0.00 C ATOM 474 C LYS A 32 -9.141 -2.259 -5.887 1.00 0.00 C ATOM 475 O LYS A 32 -8.693 -2.857 -6.866 1.00 0.00 O ATOM 476 CB LYS A 32 -11.324 -3.203 -5.114 1.00 0.00 C ATOM 477 CG LYS A 32 -12.201 -3.523 -3.915 1.00 0.00 C ATOM 478 CD LYS A 32 -13.674 -3.533 -4.291 1.00 0.00 C ATOM 479 CE LYS A 32 -14.453 -4.547 -3.470 1.00 0.00 C ATOM 480 NZ LYS A 32 -15.212 -3.901 -2.364 1.00 0.00 N ATOM 0 H LYS A 32 -10.106 -1.393 -3.462 1.00 0.00 H new ATOM 0 HA LYS A 32 -9.373 -3.998 -4.667 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -11.691 -2.293 -5.588 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -11.419 -4.005 -5.846 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -11.922 -4.494 -3.507 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -12.029 -2.786 -3.130 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -14.096 -2.539 -4.139 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -13.778 -3.765 -5.351 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -15.144 -5.085 -4.119 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -13.765 -5.284 -3.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -15.730 -4.627 -1.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -14.550 -3.409 -1.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -15.887 -3.216 -2.760 1.00 0.00 H new ATOM 494 N THR A 33 -9.044 -0.942 -5.742 1.00 0.00 N ATOM 495 CA THR A 33 -8.395 -0.110 -6.746 1.00 0.00 C ATOM 496 C THR A 33 -8.056 1.263 -6.175 1.00 0.00 C ATOM 497 O THR A 33 -8.165 1.489 -4.970 1.00 0.00 O ATOM 498 CB THR A 33 -9.293 0.043 -7.976 1.00 0.00 C ATOM 499 OG1 THR A 33 -10.258 -0.992 -8.027 1.00 0.00 O ATOM 500 CG2 THR A 33 -8.527 0.020 -9.281 1.00 0.00 C ATOM 0 H THR A 33 -9.407 -0.429 -4.939 1.00 0.00 H new ATOM 0 HA THR A 33 -7.468 -0.601 -7.044 1.00 0.00 H new ATOM 0 HB THR A 33 -9.767 1.018 -7.867 1.00 0.00 H new ATOM 0 HG1 THR A 33 -10.822 -0.875 -8.820 1.00 0.00 H new ATOM 0 HG21 THR A 33 -9.222 0.133 -10.113 1.00 0.00 H new ATOM 0 HG22 THR A 33 -7.808 0.839 -9.295 1.00 0.00 H new ATOM 0 HG23 THR A 33 -7.999 -0.929 -9.376 1.00 0.00 H new ATOM 508 N LEU A 34 -7.648 2.176 -7.048 1.00 0.00 N ATOM 509 CA LEU A 34 -7.297 3.526 -6.631 1.00 0.00 C ATOM 510 C LEU A 34 -8.532 4.288 -6.164 1.00 0.00 C ATOM 511 O LEU A 34 -8.513 4.937 -5.119 1.00 0.00 O ATOM 512 CB LEU A 34 -6.615 4.275 -7.776 1.00 0.00 C ATOM 513 CG LEU A 34 -5.381 3.581 -8.354 1.00 0.00 C ATOM 514 CD1 LEU A 34 -4.928 4.270 -9.632 1.00 0.00 C ATOM 515 CD2 LEU A 34 -4.256 3.556 -7.329 1.00 0.00 C ATOM 0 H LEU A 34 -7.552 2.005 -8.049 1.00 0.00 H new ATOM 0 HA LEU A 34 -6.602 3.454 -5.794 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -7.340 4.423 -8.577 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -6.325 5.264 -7.422 1.00 0.00 H new ATOM 0 HG LEU A 34 -5.647 2.552 -8.598 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -4.049 3.761 -10.028 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -5.730 4.234 -10.369 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -4.680 5.309 -9.417 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -3.385 3.059 -7.756 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.992 4.577 -7.054 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -4.584 3.014 -6.442 1.00 0.00 H new ATOM 527 N ARG A 35 -9.608 4.197 -6.939 1.00 0.00 N ATOM 528 CA ARG A 35 -10.852 4.872 -6.591 1.00 0.00 C ATOM 529 C ARG A 35 -11.352 4.395 -5.231 1.00 0.00 C ATOM 530 O ARG A 35 -11.688 5.200 -4.361 1.00 0.00 O ATOM 531 CB ARG A 35 -11.915 4.616 -7.664 1.00 0.00 C ATOM 532 CG ARG A 35 -12.330 5.869 -8.420 1.00 0.00 C ATOM 533 CD ARG A 35 -13.683 6.381 -7.951 1.00 0.00 C ATOM 534 NE ARG A 35 -14.778 5.863 -8.768 1.00 0.00 N ATOM 535 CZ ARG A 35 -15.105 6.350 -9.964 1.00 0.00 C ATOM 536 NH1 ARG A 35 -14.424 7.363 -10.485 1.00 0.00 N ATOM 537 NH2 ARG A 35 -16.116 5.822 -10.640 1.00 0.00 N ATOM 0 H ARG A 35 -9.643 3.665 -7.808 1.00 0.00 H new ATOM 0 HA ARG A 35 -10.661 5.944 -6.537 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -11.533 3.883 -8.374 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -12.795 4.177 -7.194 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -11.578 6.645 -8.280 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -12.371 5.654 -9.488 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -13.839 6.093 -6.911 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -13.690 7.470 -7.985 1.00 0.00 H new ATOM 0 HE ARG A 35 -15.324 5.083 -8.401 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -13.645 7.773 -9.969 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -14.679 7.731 -11.401 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -16.643 5.043 -10.244 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -16.367 6.194 -11.556 1.00 0.00 H new ATOM 551 N GLU A 36 -11.384 3.078 -5.054 1.00 0.00 N ATOM 552 CA GLU A 36 -11.829 2.487 -3.800 1.00 0.00 C ATOM 553 C GLU A 36 -10.839 2.797 -2.683 1.00 0.00 C ATOM 554 O GLU A 36 -11.217 2.908 -1.517 1.00 0.00 O ATOM 555 CB GLU A 36 -11.989 0.973 -3.953 1.00 0.00 C ATOM 556 CG GLU A 36 -12.792 0.567 -5.178 1.00 0.00 C ATOM 557 CD GLU A 36 -14.252 0.313 -4.861 1.00 0.00 C ATOM 558 OE1 GLU A 36 -14.536 -0.272 -3.794 1.00 0.00 O ATOM 559 OE2 GLU A 36 -15.114 0.702 -5.678 1.00 0.00 O ATOM 0 H GLU A 36 -11.107 2.401 -5.764 1.00 0.00 H new ATOM 0 HA GLU A 36 -12.795 2.919 -3.540 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -11.001 0.515 -4.008 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -12.475 0.575 -3.062 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -12.719 1.351 -5.932 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -12.356 -0.333 -5.611 1.00 0.00 H new ATOM 566 N ALA A 37 -9.567 2.940 -3.048 1.00 0.00 N ATOM 567 CA ALA A 37 -8.524 3.244 -2.077 1.00 0.00 C ATOM 568 C ALA A 37 -8.572 4.711 -1.665 1.00 0.00 C ATOM 569 O ALA A 37 -8.143 5.070 -0.569 1.00 0.00 O ATOM 570 CB ALA A 37 -7.156 2.892 -2.640 1.00 0.00 C ATOM 0 H ALA A 37 -9.236 2.850 -4.009 1.00 0.00 H new ATOM 0 HA ALA A 37 -8.701 2.638 -1.188 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -6.388 3.125 -1.902 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -7.122 1.828 -2.875 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -6.976 3.470 -3.546 1.00 0.00 H new ATOM 576 N GLU A 38 -9.110 5.555 -2.541 1.00 0.00 N ATOM 577 CA GLU A 38 -9.224 6.977 -2.247 1.00 0.00 C ATOM 578 C GLU A 38 -10.362 7.212 -1.265 1.00 0.00 C ATOM 579 O GLU A 38 -10.269 8.065 -0.382 1.00 0.00 O ATOM 580 CB GLU A 38 -9.460 7.774 -3.528 1.00 0.00 C ATOM 581 CG GLU A 38 -8.224 7.899 -4.403 1.00 0.00 C ATOM 582 CD GLU A 38 -8.547 8.386 -5.802 1.00 0.00 C ATOM 583 OE1 GLU A 38 -9.493 7.847 -6.414 1.00 0.00 O ATOM 584 OE2 GLU A 38 -7.855 9.305 -6.286 1.00 0.00 O ATOM 0 H GLU A 38 -9.471 5.280 -3.454 1.00 0.00 H new ATOM 0 HA GLU A 38 -8.290 7.317 -1.799 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -10.254 7.297 -4.102 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -9.812 8.772 -3.266 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -7.521 8.588 -3.936 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -7.728 6.931 -4.465 1.00 0.00 H new ATOM 591 N LYS A 39 -11.427 6.431 -1.412 1.00 0.00 N ATOM 592 CA LYS A 39 -12.574 6.535 -0.524 1.00 0.00 C ATOM 593 C LYS A 39 -12.194 6.030 0.862 1.00 0.00 C ATOM 594 O LYS A 39 -12.625 6.577 1.878 1.00 0.00 O ATOM 595 CB LYS A 39 -13.753 5.731 -1.079 1.00 0.00 C ATOM 596 CG LYS A 39 -14.952 5.677 -0.144 1.00 0.00 C ATOM 597 CD LYS A 39 -14.815 4.554 0.872 1.00 0.00 C ATOM 598 CE LYS A 39 -16.153 3.884 1.143 1.00 0.00 C ATOM 599 NZ LYS A 39 -16.817 3.442 -0.115 1.00 0.00 N ATOM 0 H LYS A 39 -11.518 5.720 -2.138 1.00 0.00 H new ATOM 0 HA LYS A 39 -12.876 7.580 -0.453 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -14.064 6.167 -2.028 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -13.421 4.714 -1.289 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -15.053 6.630 0.376 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -15.863 5.534 -0.726 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -14.104 3.814 0.505 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -14.410 4.951 1.803 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -16.003 3.024 1.796 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -16.805 4.577 1.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -17.414 2.613 0.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -17.407 4.214 -0.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -16.094 3.190 -0.819 1.00 0.00 H new ATOM 613 N LYS A 40 -11.374 4.983 0.890 1.00 0.00 N ATOM 614 CA LYS A 40 -10.916 4.400 2.143 1.00 0.00 C ATOM 615 C LYS A 40 -9.916 5.324 2.829 1.00 0.00 C ATOM 616 O LYS A 40 -9.908 5.450 4.053 1.00 0.00 O ATOM 617 CB LYS A 40 -10.276 3.034 1.888 1.00 0.00 C ATOM 618 CG LYS A 40 -11.197 2.054 1.177 1.00 0.00 C ATOM 619 CD LYS A 40 -11.646 0.935 2.104 1.00 0.00 C ATOM 620 CE LYS A 40 -12.040 -0.309 1.324 1.00 0.00 C ATOM 621 NZ LYS A 40 -12.404 -1.438 2.224 1.00 0.00 N ATOM 0 H LYS A 40 -11.013 4.521 0.055 1.00 0.00 H new ATOM 0 HA LYS A 40 -11.778 4.271 2.798 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -9.374 3.170 1.292 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -9.966 2.603 2.840 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -12.070 2.585 0.797 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -10.682 1.629 0.316 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -10.842 0.691 2.798 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -12.492 1.274 2.702 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -12.883 -0.077 0.673 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -11.214 -0.610 0.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -12.666 -2.267 1.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -11.591 -1.677 2.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -13.209 -1.160 2.821 1.00 0.00 H new ATOM 635 N ILE A 41 -9.074 5.970 2.028 1.00 0.00 N ATOM 636 CA ILE A 41 -8.068 6.888 2.549 1.00 0.00 C ATOM 637 C ILE A 41 -8.640 8.291 2.740 1.00 0.00 C ATOM 638 O ILE A 41 -8.056 9.118 3.441 1.00 0.00 O ATOM 639 CB ILE A 41 -6.850 6.966 1.609 1.00 0.00 C ATOM 640 CG1 ILE A 41 -6.264 5.572 1.377 1.00 0.00 C ATOM 641 CG2 ILE A 41 -5.792 7.901 2.175 1.00 0.00 C ATOM 642 CD1 ILE A 41 -5.513 5.440 0.069 1.00 0.00 C ATOM 0 H ILE A 41 -9.069 5.874 1.013 1.00 0.00 H new ATOM 0 HA ILE A 41 -7.753 6.498 3.517 1.00 0.00 H new ATOM 0 HB ILE A 41 -7.182 7.366 0.651 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.591 5.329 2.199 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -7.071 4.840 1.398 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -4.941 7.941 1.495 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -6.213 8.900 2.289 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -5.463 7.533 3.147 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -5.126 4.426 -0.027 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -6.188 5.651 -0.761 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -4.684 6.148 0.052 1.00 0.00 H new ATOM 654 N LYS A 42 -9.783 8.557 2.109 1.00 0.00 N ATOM 655 CA LYS A 42 -10.428 9.862 2.208 1.00 0.00 C ATOM 656 C LYS A 42 -10.622 10.285 3.663 1.00 0.00 C ATOM 657 O LYS A 42 -10.761 11.472 3.959 1.00 0.00 O ATOM 658 CB LYS A 42 -11.773 9.840 1.487 1.00 0.00 C ATOM 659 CG LYS A 42 -11.770 10.603 0.172 1.00 0.00 C ATOM 660 CD LYS A 42 -13.122 10.530 -0.519 1.00 0.00 C ATOM 661 CE LYS A 42 -13.114 11.283 -1.840 1.00 0.00 C ATOM 662 NZ LYS A 42 -13.474 12.717 -1.666 1.00 0.00 N ATOM 0 H LYS A 42 -10.280 7.885 1.524 1.00 0.00 H new ATOM 0 HA LYS A 42 -9.774 10.592 1.732 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -12.057 8.805 1.296 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -12.534 10.264 2.142 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -11.510 11.646 0.356 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -11.002 10.194 -0.485 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -13.386 9.487 -0.695 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -13.889 10.947 0.134 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -12.125 11.210 -2.293 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -13.816 10.814 -2.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -13.457 13.194 -2.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -14.428 12.788 -1.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -12.789 13.172 -1.029 1.00 0.00 H new ATOM 676 N GLU A 43 -10.632 9.312 4.571 1.00 0.00 N ATOM 677 CA GLU A 43 -10.811 9.597 5.988 1.00 0.00 C ATOM 678 C GLU A 43 -9.789 8.845 6.834 1.00 0.00 C ATOM 679 O GLU A 43 -9.101 9.437 7.667 1.00 0.00 O ATOM 680 CB GLU A 43 -12.228 9.225 6.430 1.00 0.00 C ATOM 681 CG GLU A 43 -13.312 9.772 5.516 1.00 0.00 C ATOM 682 CD GLU A 43 -14.582 8.945 5.559 1.00 0.00 C ATOM 683 OE1 GLU A 43 -14.672 7.954 4.804 1.00 0.00 O ATOM 684 OE2 GLU A 43 -15.486 9.287 6.350 1.00 0.00 O ATOM 0 H GLU A 43 -10.518 8.323 4.349 1.00 0.00 H new ATOM 0 HA GLU A 43 -10.658 10.666 6.136 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -12.313 8.139 6.472 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -12.394 9.597 7.441 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -13.541 10.798 5.804 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -12.938 9.804 4.493 1.00 0.00 H new ATOM 691 N LEU A 44 -9.696 7.538 6.618 1.00 0.00 N ATOM 692 CA LEU A 44 -8.761 6.703 7.363 1.00 0.00 C ATOM 693 C LEU A 44 -7.326 7.186 7.178 1.00 0.00 C ATOM 694 O LEU A 44 -6.803 7.199 6.063 1.00 0.00 O ATOM 695 CB LEU A 44 -8.882 5.245 6.916 1.00 0.00 C ATOM 696 CG LEU A 44 -9.091 4.237 8.047 1.00 0.00 C ATOM 697 CD1 LEU A 44 -7.983 4.355 9.080 1.00 0.00 C ATOM 698 CD2 LEU A 44 -10.452 4.440 8.694 1.00 0.00 C ATOM 0 H LEU A 44 -10.257 7.033 5.932 1.00 0.00 H new ATOM 0 HA LEU A 44 -9.013 6.776 8.421 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -9.715 5.163 6.218 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -7.980 4.972 6.369 1.00 0.00 H new ATOM 0 HG LEU A 44 -9.057 3.233 7.625 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -8.149 3.630 9.877 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -7.021 4.159 8.606 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -7.982 5.361 9.500 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -10.585 3.715 9.497 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -10.514 5.449 9.102 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -11.234 4.302 7.947 1.00 0.00 H new ATOM 710 N PHE A 45 -6.692 7.576 8.278 1.00 0.00 N ATOM 711 CA PHE A 45 -5.314 8.051 8.239 1.00 0.00 C ATOM 712 C PHE A 45 -4.355 6.884 8.031 1.00 0.00 C ATOM 713 O PHE A 45 -3.648 6.476 8.951 1.00 0.00 O ATOM 714 CB PHE A 45 -4.968 8.792 9.532 1.00 0.00 C ATOM 715 CG PHE A 45 -3.837 9.770 9.380 1.00 0.00 C ATOM 716 CD1 PHE A 45 -2.533 9.323 9.234 1.00 0.00 C ATOM 717 CD2 PHE A 45 -4.078 11.133 9.386 1.00 0.00 C ATOM 718 CE1 PHE A 45 -1.491 10.219 9.094 1.00 0.00 C ATOM 719 CE2 PHE A 45 -3.039 12.035 9.246 1.00 0.00 C ATOM 720 CZ PHE A 45 -1.744 11.576 9.101 1.00 0.00 C ATOM 0 H PHE A 45 -7.111 7.573 9.208 1.00 0.00 H new ATOM 0 HA PHE A 45 -5.212 8.742 7.402 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -5.852 9.323 9.884 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -4.707 8.064 10.300 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -2.329 8.262 9.230 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -5.089 11.496 9.501 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -0.480 9.858 8.979 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -3.240 13.096 9.250 1.00 0.00 H new ATOM 0 HZ PHE A 45 -0.930 12.278 8.993 1.00 0.00 H new ATOM 730 N PHE A 46 -4.349 6.344 6.817 1.00 0.00 N ATOM 731 CA PHE A 46 -3.489 5.214 6.485 1.00 0.00 C ATOM 732 C PHE A 46 -2.011 5.604 6.527 1.00 0.00 C ATOM 733 O PHE A 46 -1.541 6.367 5.683 1.00 0.00 O ATOM 734 CB PHE A 46 -3.842 4.676 5.098 1.00 0.00 C ATOM 735 CG PHE A 46 -5.060 3.799 5.088 1.00 0.00 C ATOM 736 CD1 PHE A 46 -5.030 2.545 5.677 1.00 0.00 C ATOM 737 CD2 PHE A 46 -6.235 4.227 4.491 1.00 0.00 C ATOM 738 CE1 PHE A 46 -6.150 1.734 5.669 1.00 0.00 C ATOM 739 CE2 PHE A 46 -7.358 3.420 4.480 1.00 0.00 C ATOM 740 CZ PHE A 46 -7.315 2.173 5.070 1.00 0.00 C ATOM 0 H PHE A 46 -4.931 6.671 6.046 1.00 0.00 H new ATOM 0 HA PHE A 46 -3.656 4.438 7.232 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -4.003 5.515 4.422 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -2.994 4.111 4.709 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -4.122 2.197 6.147 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -6.274 5.202 4.029 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -6.114 0.758 6.131 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -8.267 3.765 4.010 1.00 0.00 H new ATOM 0 HZ PHE A 46 -8.191 1.541 5.063 1.00 0.00 H new ATOM 750 N PRO A 47 -1.254 5.078 7.508 1.00 0.00 N ATOM 751 CA PRO A 47 0.176 5.369 7.645 1.00 0.00 C ATOM 752 C PRO A 47 1.015 4.644 6.597 1.00 0.00 C ATOM 753 O PRO A 47 2.147 5.036 6.309 1.00 0.00 O ATOM 754 CB PRO A 47 0.507 4.845 9.042 1.00 0.00 C ATOM 755 CG PRO A 47 -0.470 3.744 9.267 1.00 0.00 C ATOM 756 CD PRO A 47 -1.731 4.153 8.555 1.00 0.00 C ATOM 0 HA PRO A 47 0.394 6.428 7.506 1.00 0.00 H new ATOM 0 HB2 PRO A 47 1.533 4.483 9.097 1.00 0.00 H new ATOM 0 HB3 PRO A 47 0.404 5.627 9.794 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -0.090 2.800 8.876 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -0.654 3.597 10.331 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -2.246 3.293 8.126 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -2.433 4.641 9.231 1.00 0.00 H new ATOM 764 N VAL A 48 0.451 3.582 6.031 1.00 0.00 N ATOM 765 CA VAL A 48 1.139 2.795 5.018 1.00 0.00 C ATOM 766 C VAL A 48 0.169 2.289 3.957 1.00 0.00 C ATOM 767 O VAL A 48 -0.869 1.714 4.275 1.00 0.00 O ATOM 768 CB VAL A 48 1.848 1.594 5.654 1.00 0.00 C ATOM 769 CG1 VAL A 48 2.888 1.012 4.710 1.00 0.00 C ATOM 770 CG2 VAL A 48 2.475 2.010 6.968 1.00 0.00 C ATOM 0 H VAL A 48 -0.485 3.247 6.259 1.00 0.00 H new ATOM 0 HA VAL A 48 1.874 3.448 4.547 1.00 0.00 H new ATOM 0 HB VAL A 48 1.113 0.813 5.848 1.00 0.00 H new ATOM 0 HG11 VAL A 48 3.376 0.161 5.186 1.00 0.00 H new ATOM 0 HG12 VAL A 48 2.402 0.684 3.791 1.00 0.00 H new ATOM 0 HG13 VAL A 48 3.633 1.773 4.475 1.00 0.00 H new ATOM 0 HG21 VAL A 48 2.978 1.154 7.418 1.00 0.00 H new ATOM 0 HG22 VAL A 48 3.199 2.805 6.790 1.00 0.00 H new ATOM 0 HG23 VAL A 48 1.699 2.371 7.643 1.00 0.00 H new ATOM 780 N ILE A 49 0.522 2.505 2.698 1.00 0.00 N ATOM 781 CA ILE A 49 -0.300 2.071 1.578 1.00 0.00 C ATOM 782 C ILE A 49 0.455 1.057 0.726 1.00 0.00 C ATOM 783 O ILE A 49 1.687 1.018 0.738 1.00 0.00 O ATOM 784 CB ILE A 49 -0.716 3.259 0.685 1.00 0.00 C ATOM 785 CG1 ILE A 49 -1.138 4.454 1.542 1.00 0.00 C ATOM 786 CG2 ILE A 49 -1.841 2.847 -0.254 1.00 0.00 C ATOM 787 CD1 ILE A 49 -2.416 4.223 2.319 1.00 0.00 C ATOM 0 H ILE A 49 1.381 2.983 2.425 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.197 1.614 1.996 1.00 0.00 H new ATOM 0 HB ILE A 49 0.143 3.558 0.084 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.336 4.690 2.241 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -1.267 5.324 0.898 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -2.124 3.695 -0.877 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -1.504 2.027 -0.888 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -2.702 2.523 0.330 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -2.653 5.112 2.903 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -3.231 4.017 1.625 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.286 3.373 2.989 1.00 0.00 H new ATOM 799 N VAL A 50 -0.285 0.242 -0.015 1.00 0.00 N ATOM 800 CA VAL A 50 0.324 -0.767 -0.872 1.00 0.00 C ATOM 801 C VAL A 50 -0.533 -1.029 -2.102 1.00 0.00 C ATOM 802 O VAL A 50 -1.553 -1.715 -2.032 1.00 0.00 O ATOM 803 CB VAL A 50 0.548 -2.088 -0.114 1.00 0.00 C ATOM 804 CG1 VAL A 50 1.208 -3.124 -1.014 1.00 0.00 C ATOM 805 CG2 VAL A 50 1.386 -1.841 1.127 1.00 0.00 C ATOM 0 H VAL A 50 -1.305 0.260 -0.040 1.00 0.00 H new ATOM 0 HA VAL A 50 1.291 -0.376 -1.187 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.421 -2.481 0.193 1.00 0.00 H new ATOM 0 HG11 VAL A 50 1.356 -4.049 -0.456 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.569 -3.318 -1.875 1.00 0.00 H new ATOM 0 HG13 VAL A 50 2.172 -2.748 -1.355 1.00 0.00 H new ATOM 0 HG21 VAL A 50 1.539 -2.782 1.656 1.00 0.00 H new ATOM 0 HG22 VAL A 50 2.352 -1.427 0.837 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.870 -1.137 1.780 1.00 0.00 H new ATOM 815 N LEU A 51 -0.109 -0.469 -3.225 1.00 0.00 N ATOM 816 CA LEU A 51 -0.831 -0.630 -4.480 1.00 0.00 C ATOM 817 C LEU A 51 -0.403 -1.906 -5.196 1.00 0.00 C ATOM 818 O LEU A 51 0.464 -1.879 -6.070 1.00 0.00 O ATOM 819 CB LEU A 51 -0.601 0.583 -5.386 1.00 0.00 C ATOM 820 CG LEU A 51 -1.165 0.458 -6.802 1.00 0.00 C ATOM 821 CD1 LEU A 51 -2.667 0.219 -6.762 1.00 0.00 C ATOM 822 CD2 LEU A 51 -0.844 1.703 -7.615 1.00 0.00 C ATOM 0 H LEU A 51 0.733 0.102 -3.294 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.894 -0.705 -4.251 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.044 1.459 -4.912 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.471 0.766 -5.455 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.695 -0.399 -7.284 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -3.049 0.133 -7.779 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.874 -0.702 -6.217 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.155 1.055 -6.261 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.253 1.597 -8.620 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.286 2.576 -7.134 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.237 1.830 -7.675 1.00 0.00 H new ATOM 834 N ASP A 52 -1.019 -3.022 -4.823 1.00 0.00 N ATOM 835 CA ASP A 52 -0.706 -4.308 -5.434 1.00 0.00 C ATOM 836 C ASP A 52 -1.127 -4.324 -6.900 1.00 0.00 C ATOM 837 O ASP A 52 -2.160 -4.891 -7.256 1.00 0.00 O ATOM 838 CB ASP A 52 -1.398 -5.441 -4.670 1.00 0.00 C ATOM 839 CG ASP A 52 -0.436 -6.548 -4.280 1.00 0.00 C ATOM 840 OD1 ASP A 52 -0.031 -7.324 -5.171 1.00 0.00 O ATOM 841 OD2 ASP A 52 -0.089 -6.638 -3.084 1.00 0.00 O ATOM 0 H ASP A 52 -1.738 -3.062 -4.101 1.00 0.00 H new ATOM 0 HA ASP A 52 0.372 -4.459 -5.385 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -1.866 -5.037 -3.772 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -2.196 -5.857 -5.286 1.00 0.00 H new ATOM 846 N VAL A 53 -0.321 -3.687 -7.744 1.00 0.00 N ATOM 847 CA VAL A 53 -0.607 -3.613 -9.173 1.00 0.00 C ATOM 848 C VAL A 53 -0.694 -5.003 -9.802 1.00 0.00 C ATOM 849 O VAL A 53 0.266 -5.484 -10.404 1.00 0.00 O ATOM 850 CB VAL A 53 0.463 -2.783 -9.919 1.00 0.00 C ATOM 851 CG1 VAL A 53 1.862 -3.274 -9.585 1.00 0.00 C ATOM 852 CG2 VAL A 53 0.227 -2.822 -11.422 1.00 0.00 C ATOM 0 H VAL A 53 0.537 -3.214 -7.462 1.00 0.00 H new ATOM 0 HA VAL A 53 -1.574 -3.120 -9.272 1.00 0.00 H new ATOM 0 HB VAL A 53 0.377 -1.749 -9.586 1.00 0.00 H new ATOM 0 HG11 VAL A 53 2.596 -2.674 -10.122 1.00 0.00 H new ATOM 0 HG12 VAL A 53 2.033 -3.182 -8.512 1.00 0.00 H new ATOM 0 HG13 VAL A 53 1.961 -4.319 -9.880 1.00 0.00 H new ATOM 0 HG21 VAL A 53 0.992 -2.231 -11.926 1.00 0.00 H new ATOM 0 HG22 VAL A 53 0.276 -3.853 -11.771 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -0.757 -2.409 -11.647 1.00 0.00 H new ATOM 862 N TRP A 54 -1.857 -5.637 -9.675 1.00 0.00 N ATOM 863 CA TRP A 54 -2.069 -6.960 -10.246 1.00 0.00 C ATOM 864 C TRP A 54 -2.229 -6.858 -11.762 1.00 0.00 C ATOM 865 O TRP A 54 -1.272 -7.052 -12.511 1.00 0.00 O ATOM 866 CB TRP A 54 -3.302 -7.621 -9.619 1.00 0.00 C ATOM 867 CG TRP A 54 -3.712 -8.895 -10.295 1.00 0.00 C ATOM 868 CD1 TRP A 54 -4.923 -9.169 -10.864 1.00 0.00 C ATOM 869 CD2 TRP A 54 -2.909 -10.066 -10.475 1.00 0.00 C ATOM 870 NE1 TRP A 54 -4.922 -10.441 -11.384 1.00 0.00 N ATOM 871 CE2 TRP A 54 -3.697 -11.012 -11.158 1.00 0.00 C ATOM 872 CE3 TRP A 54 -1.600 -10.407 -10.124 1.00 0.00 C ATOM 873 CZ2 TRP A 54 -3.217 -12.274 -11.497 1.00 0.00 C ATOM 874 CZ3 TRP A 54 -1.125 -11.660 -10.460 1.00 0.00 C ATOM 875 CH2 TRP A 54 -1.931 -12.580 -11.141 1.00 0.00 C ATOM 0 H TRP A 54 -2.664 -5.255 -9.182 1.00 0.00 H new ATOM 0 HA TRP A 54 -1.199 -7.580 -10.028 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -3.098 -7.827 -8.568 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -4.135 -6.919 -9.650 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -5.759 -8.486 -10.900 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -5.706 -10.887 -11.861 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -0.971 -9.703 -9.599 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -3.837 -12.986 -12.022 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -0.115 -11.934 -10.193 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -1.530 -13.551 -11.391 1.00 0.00 H new ATOM 886 N MET A 55 -3.441 -6.540 -12.207 1.00 0.00 N ATOM 887 CA MET A 55 -3.718 -6.396 -13.630 1.00 0.00 C ATOM 888 C MET A 55 -4.840 -5.384 -13.879 1.00 0.00 C ATOM 889 O MET A 55 -5.745 -5.639 -14.674 1.00 0.00 O ATOM 890 CB MET A 55 -4.095 -7.752 -14.233 1.00 0.00 C ATOM 891 CG MET A 55 -4.036 -7.779 -15.752 1.00 0.00 C ATOM 892 SD MET A 55 -5.357 -8.767 -16.480 1.00 0.00 S ATOM 893 CE MET A 55 -6.188 -7.534 -17.479 1.00 0.00 C ATOM 0 H MET A 55 -4.246 -6.377 -11.602 1.00 0.00 H new ATOM 0 HA MET A 55 -2.814 -6.025 -14.112 1.00 0.00 H new ATOM 0 HB2 MET A 55 -3.425 -8.515 -13.838 1.00 0.00 H new ATOM 0 HB3 MET A 55 -5.103 -8.016 -13.912 1.00 0.00 H new ATOM 0 HG2 MET A 55 -4.098 -6.759 -16.132 1.00 0.00 H new ATOM 0 HG3 MET A 55 -3.072 -8.179 -16.067 1.00 0.00 H new ATOM 0 HE1 MET A 55 -7.010 -8.000 -18.022 1.00 0.00 H new ATOM 0 HE2 MET A 55 -6.579 -6.747 -16.835 1.00 0.00 H new ATOM 0 HE3 MET A 55 -5.481 -7.104 -18.189 1.00 0.00 H new ATOM 903 N PRO A 56 -4.799 -4.214 -13.207 1.00 0.00 N ATOM 904 CA PRO A 56 -5.816 -3.178 -13.374 1.00 0.00 C ATOM 905 C PRO A 56 -5.522 -2.265 -14.562 1.00 0.00 C ATOM 906 O PRO A 56 -4.687 -2.585 -15.408 1.00 0.00 O ATOM 907 CB PRO A 56 -5.714 -2.404 -12.064 1.00 0.00 C ATOM 908 CG PRO A 56 -4.271 -2.484 -11.700 1.00 0.00 C ATOM 909 CD PRO A 56 -3.763 -3.802 -12.235 1.00 0.00 C ATOM 0 HA PRO A 56 -6.805 -3.589 -13.576 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -6.036 -1.370 -12.187 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -6.344 -2.845 -11.291 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -3.716 -1.651 -12.131 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -4.140 -2.428 -10.619 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -2.789 -3.691 -12.712 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -3.646 -4.538 -11.439 1.00 0.00 H new ATOM 917 N ASP A 57 -6.211 -1.130 -14.619 1.00 0.00 N ATOM 918 CA ASP A 57 -6.018 -0.174 -15.704 1.00 0.00 C ATOM 919 C ASP A 57 -6.397 1.237 -15.262 1.00 0.00 C ATOM 920 O ASP A 57 -7.127 1.942 -15.957 1.00 0.00 O ATOM 921 CB ASP A 57 -6.847 -0.582 -16.923 1.00 0.00 C ATOM 922 CG ASP A 57 -6.510 -1.977 -17.411 1.00 0.00 C ATOM 923 OD1 ASP A 57 -5.373 -2.180 -17.886 1.00 0.00 O ATOM 924 OD2 ASP A 57 -7.383 -2.865 -17.318 1.00 0.00 O ATOM 0 H ASP A 57 -6.907 -0.850 -13.928 1.00 0.00 H new ATOM 0 HA ASP A 57 -4.962 -0.177 -15.974 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -7.906 -0.534 -16.671 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -6.679 0.132 -17.729 1.00 0.00 H new ATOM 929 N GLY A 58 -5.893 1.643 -14.100 1.00 0.00 N ATOM 930 CA GLY A 58 -6.188 2.967 -13.585 1.00 0.00 C ATOM 931 C GLY A 58 -4.952 3.838 -13.456 1.00 0.00 C ATOM 932 O GLY A 58 -5.057 5.058 -13.328 1.00 0.00 O ATOM 0 H GLY A 58 -5.286 1.078 -13.506 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -6.905 3.457 -14.244 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -6.665 2.874 -12.609 1.00 0.00 H new ATOM 936 N ASP A 59 -3.777 3.214 -13.485 1.00 0.00 N ATOM 937 CA ASP A 59 -2.521 3.945 -13.367 1.00 0.00 C ATOM 938 C ASP A 59 -2.429 4.646 -12.015 1.00 0.00 C ATOM 939 O ASP A 59 -3.083 5.663 -11.787 1.00 0.00 O ATOM 940 CB ASP A 59 -2.391 4.969 -14.495 1.00 0.00 C ATOM 941 CG ASP A 59 -2.442 4.328 -15.868 1.00 0.00 C ATOM 942 OD1 ASP A 59 -1.447 3.681 -16.258 1.00 0.00 O ATOM 943 OD2 ASP A 59 -3.476 4.470 -16.552 1.00 0.00 O ATOM 0 H ASP A 59 -3.670 2.205 -13.589 1.00 0.00 H new ATOM 0 HA ASP A 59 -1.703 3.228 -13.444 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -3.193 5.703 -14.410 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -1.451 5.510 -14.384 1.00 0.00 H new ATOM 948 N GLY A 60 -1.616 4.093 -11.121 1.00 0.00 N ATOM 949 CA GLY A 60 -1.458 4.678 -9.804 1.00 0.00 C ATOM 950 C GLY A 60 -0.249 5.589 -9.704 1.00 0.00 C ATOM 951 O GLY A 60 0.219 5.887 -8.606 1.00 0.00 O ATOM 0 H GLY A 60 -1.064 3.251 -11.286 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -2.355 5.244 -9.553 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -1.368 3.881 -9.066 1.00 0.00 H new ATOM 955 N VAL A 61 0.259 6.034 -10.850 1.00 0.00 N ATOM 956 CA VAL A 61 1.415 6.914 -10.883 1.00 0.00 C ATOM 957 C VAL A 61 1.146 8.203 -10.113 1.00 0.00 C ATOM 958 O VAL A 61 1.861 8.535 -9.167 1.00 0.00 O ATOM 959 CB VAL A 61 1.806 7.262 -12.330 1.00 0.00 C ATOM 960 CG1 VAL A 61 3.159 7.945 -12.362 1.00 0.00 C ATOM 961 CG2 VAL A 61 1.815 6.014 -13.201 1.00 0.00 C ATOM 0 H VAL A 61 -0.116 5.797 -11.769 1.00 0.00 H new ATOM 0 HA VAL A 61 2.239 6.380 -10.409 1.00 0.00 H new ATOM 0 HB VAL A 61 1.062 7.950 -12.731 1.00 0.00 H new ATOM 0 HG11 VAL A 61 3.421 8.185 -13.392 1.00 0.00 H new ATOM 0 HG12 VAL A 61 3.117 8.863 -11.775 1.00 0.00 H new ATOM 0 HG13 VAL A 61 3.913 7.279 -11.941 1.00 0.00 H new ATOM 0 HG21 VAL A 61 2.094 6.283 -14.220 1.00 0.00 H new ATOM 0 HG22 VAL A 61 2.536 5.299 -12.804 1.00 0.00 H new ATOM 0 HG23 VAL A 61 0.822 5.565 -13.204 1.00 0.00 H new ATOM 971 N ASN A 62 0.114 8.929 -10.527 1.00 0.00 N ATOM 972 CA ASN A 62 -0.256 10.172 -9.897 1.00 0.00 C ATOM 973 C ASN A 62 -0.971 9.941 -8.563 1.00 0.00 C ATOM 974 O ASN A 62 -1.288 10.894 -7.850 1.00 0.00 O ATOM 975 CB ASN A 62 -1.161 10.937 -10.849 1.00 0.00 C ATOM 976 CG ASN A 62 -2.379 10.135 -11.267 1.00 0.00 C ATOM 977 OD1 ASN A 62 -2.360 9.441 -12.283 1.00 0.00 O ATOM 978 ND2 ASN A 62 -3.446 10.227 -10.482 1.00 0.00 N ATOM 0 H ASN A 62 -0.484 8.665 -11.310 1.00 0.00 H new ATOM 0 HA ASN A 62 0.647 10.743 -9.682 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -1.486 11.862 -10.372 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -0.594 11.218 -11.736 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -4.295 9.710 -10.712 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -3.417 10.815 -9.649 1.00 0.00 H new ATOM 985 N PHE A 63 -1.232 8.677 -8.233 1.00 0.00 N ATOM 986 CA PHE A 63 -1.916 8.339 -6.990 1.00 0.00 C ATOM 987 C PHE A 63 -1.038 8.621 -5.774 1.00 0.00 C ATOM 988 O PHE A 63 -1.522 9.101 -4.749 1.00 0.00 O ATOM 989 CB PHE A 63 -2.339 6.869 -6.995 1.00 0.00 C ATOM 990 CG PHE A 63 -3.119 6.472 -5.777 1.00 0.00 C ATOM 991 CD1 PHE A 63 -4.217 7.214 -5.370 1.00 0.00 C ATOM 992 CD2 PHE A 63 -2.755 5.360 -5.033 1.00 0.00 C ATOM 993 CE1 PHE A 63 -4.935 6.856 -4.247 1.00 0.00 C ATOM 994 CE2 PHE A 63 -3.471 4.996 -3.908 1.00 0.00 C ATOM 995 CZ PHE A 63 -4.562 5.746 -3.514 1.00 0.00 C ATOM 0 H PHE A 63 -0.980 7.873 -8.809 1.00 0.00 H new ATOM 0 HA PHE A 63 -2.803 8.968 -6.922 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -2.941 6.674 -7.883 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -1.450 6.243 -7.069 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -4.514 8.083 -5.939 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -1.902 4.771 -5.336 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -5.788 7.443 -3.941 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -3.178 4.127 -3.338 1.00 0.00 H new ATOM 0 HZ PHE A 63 -5.122 5.465 -2.635 1.00 0.00 H new ATOM 1005 N ILE A 64 0.252 8.314 -5.888 1.00 0.00 N ATOM 1006 CA ILE A 64 1.192 8.531 -4.790 1.00 0.00 C ATOM 1007 C ILE A 64 1.024 9.921 -4.181 1.00 0.00 C ATOM 1008 O ILE A 64 1.208 10.108 -2.978 1.00 0.00 O ATOM 1009 CB ILE A 64 2.653 8.352 -5.255 1.00 0.00 C ATOM 1010 CG1 ILE A 64 2.866 6.940 -5.805 1.00 0.00 C ATOM 1011 CG2 ILE A 64 3.619 8.630 -4.109 1.00 0.00 C ATOM 1012 CD1 ILE A 64 2.997 6.893 -7.310 1.00 0.00 C ATOM 0 H ILE A 64 0.670 7.915 -6.728 1.00 0.00 H new ATOM 0 HA ILE A 64 0.968 7.781 -4.031 1.00 0.00 H new ATOM 0 HB ILE A 64 2.852 9.069 -6.051 1.00 0.00 H new ATOM 0 HG12 ILE A 64 3.764 6.516 -5.357 1.00 0.00 H new ATOM 0 HG13 ILE A 64 2.030 6.310 -5.501 1.00 0.00 H new ATOM 0 HG21 ILE A 64 4.644 8.499 -4.457 1.00 0.00 H new ATOM 0 HG22 ILE A 64 3.483 9.653 -3.759 1.00 0.00 H new ATOM 0 HG23 ILE A 64 3.422 7.937 -3.291 1.00 0.00 H new ATOM 0 HD11 ILE A 64 3.146 5.862 -7.630 1.00 0.00 H new ATOM 0 HD12 ILE A 64 2.089 7.287 -7.767 1.00 0.00 H new ATOM 0 HD13 ILE A 64 3.851 7.496 -7.620 1.00 0.00 H new ATOM 1024 N ASP A 65 0.669 10.891 -5.015 1.00 0.00 N ATOM 1025 CA ASP A 65 0.474 12.258 -4.552 1.00 0.00 C ATOM 1026 C ASP A 65 -0.778 12.357 -3.687 1.00 0.00 C ATOM 1027 O ASP A 65 -0.819 13.119 -2.724 1.00 0.00 O ATOM 1028 CB ASP A 65 0.372 13.216 -5.741 1.00 0.00 C ATOM 1029 CG ASP A 65 1.544 14.175 -5.814 1.00 0.00 C ATOM 1030 OD1 ASP A 65 2.700 13.706 -5.753 1.00 0.00 O ATOM 1031 OD2 ASP A 65 1.306 15.396 -5.932 1.00 0.00 O ATOM 0 H ASP A 65 0.511 10.756 -6.014 1.00 0.00 H new ATOM 0 HA ASP A 65 1.336 12.541 -3.948 1.00 0.00 H new ATOM 0 HB2 ASP A 65 0.320 12.640 -6.665 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -0.555 13.785 -5.667 1.00 0.00 H new ATOM 1036 N PHE A 66 -1.795 11.573 -4.028 1.00 0.00 N ATOM 1037 CA PHE A 66 -3.035 11.569 -3.267 1.00 0.00 C ATOM 1038 C PHE A 66 -2.768 11.089 -1.846 1.00 0.00 C ATOM 1039 O PHE A 66 -3.310 11.631 -0.884 1.00 0.00 O ATOM 1040 CB PHE A 66 -4.071 10.673 -3.953 1.00 0.00 C ATOM 1041 CG PHE A 66 -5.326 10.466 -3.152 1.00 0.00 C ATOM 1042 CD1 PHE A 66 -6.354 11.394 -3.193 1.00 0.00 C ATOM 1043 CD2 PHE A 66 -5.478 9.339 -2.360 1.00 0.00 C ATOM 1044 CE1 PHE A 66 -7.508 11.203 -2.459 1.00 0.00 C ATOM 1045 CE2 PHE A 66 -6.629 9.142 -1.623 1.00 0.00 C ATOM 1046 CZ PHE A 66 -7.647 10.076 -1.673 1.00 0.00 C ATOM 0 H PHE A 66 -1.784 10.935 -4.824 1.00 0.00 H new ATOM 0 HA PHE A 66 -3.432 12.583 -3.224 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -4.335 11.111 -4.916 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -3.619 9.703 -4.158 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -6.252 12.277 -3.806 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -4.686 8.606 -2.319 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -8.301 11.935 -2.500 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -6.734 8.260 -1.009 1.00 0.00 H new ATOM 0 HZ PHE A 66 -8.549 9.925 -1.099 1.00 0.00 H new ATOM 1056 N ILE A 67 -1.910 10.081 -1.721 1.00 0.00 N ATOM 1057 CA ILE A 67 -1.555 9.547 -0.414 1.00 0.00 C ATOM 1058 C ILE A 67 -0.862 10.623 0.416 1.00 0.00 C ATOM 1059 O ILE A 67 -1.206 10.846 1.576 1.00 0.00 O ATOM 1060 CB ILE A 67 -0.637 8.308 -0.538 1.00 0.00 C ATOM 1061 CG1 ILE A 67 -1.407 7.139 -1.158 1.00 0.00 C ATOM 1062 CG2 ILE A 67 -0.078 7.909 0.822 1.00 0.00 C ATOM 1063 CD1 ILE A 67 -1.542 7.229 -2.662 1.00 0.00 C ATOM 0 H ILE A 67 -1.450 9.620 -2.506 1.00 0.00 H new ATOM 0 HA ILE A 67 -2.475 9.237 0.082 1.00 0.00 H new ATOM 0 HB ILE A 67 0.199 8.565 -1.189 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -0.903 6.207 -0.903 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -2.402 7.095 -0.715 1.00 0.00 H new ATOM 0 HG21 ILE A 67 0.564 7.036 0.709 1.00 0.00 H new ATOM 0 HG22 ILE A 67 0.502 8.735 1.234 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -0.900 7.670 1.497 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -2.099 6.367 -3.030 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -2.074 8.143 -2.926 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -0.551 7.242 -3.116 1.00 0.00 H new ATOM 1075 N LYS A 68 0.102 11.304 -0.197 1.00 0.00 N ATOM 1076 CA LYS A 68 0.824 12.373 0.481 1.00 0.00 C ATOM 1077 C LYS A 68 -0.042 13.627 0.576 1.00 0.00 C ATOM 1078 O LYS A 68 0.214 14.511 1.394 1.00 0.00 O ATOM 1079 CB LYS A 68 2.128 12.686 -0.251 1.00 0.00 C ATOM 1080 CG LYS A 68 1.921 13.136 -1.674 1.00 0.00 C ATOM 1081 CD LYS A 68 1.584 14.618 -1.753 1.00 0.00 C ATOM 1082 CE LYS A 68 2.359 15.310 -2.862 1.00 0.00 C ATOM 1083 NZ LYS A 68 1.561 16.389 -3.507 1.00 0.00 N ATOM 0 H LYS A 68 0.399 11.135 -1.158 1.00 0.00 H new ATOM 0 HA LYS A 68 1.063 12.038 1.490 1.00 0.00 H new ATOM 0 HB2 LYS A 68 2.665 13.463 0.294 1.00 0.00 H new ATOM 0 HB3 LYS A 68 2.761 11.799 -0.247 1.00 0.00 H new ATOM 0 HG2 LYS A 68 2.822 12.937 -2.253 1.00 0.00 H new ATOM 0 HG3 LYS A 68 1.117 12.555 -2.126 1.00 0.00 H new ATOM 0 HD2 LYS A 68 0.515 14.740 -1.925 1.00 0.00 H new ATOM 0 HD3 LYS A 68 1.810 15.094 -0.799 1.00 0.00 H new ATOM 0 HE2 LYS A 68 3.278 15.732 -2.454 1.00 0.00 H new ATOM 0 HE3 LYS A 68 2.651 14.576 -3.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 1.560 16.251 -4.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 0.584 16.357 -3.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 1.981 17.313 -3.281 1.00 0.00 H new ATOM 1097 N GLU A 69 -1.074 13.692 -0.265 1.00 0.00 N ATOM 1098 CA GLU A 69 -1.988 14.828 -0.279 1.00 0.00 C ATOM 1099 C GLU A 69 -2.837 14.852 0.985 1.00 0.00 C ATOM 1100 O GLU A 69 -3.056 15.906 1.583 1.00 0.00 O ATOM 1101 CB GLU A 69 -2.896 14.762 -1.509 1.00 0.00 C ATOM 1102 CG GLU A 69 -3.808 15.969 -1.657 1.00 0.00 C ATOM 1103 CD GLU A 69 -4.971 15.709 -2.595 1.00 0.00 C ATOM 1104 OE1 GLU A 69 -4.809 14.896 -3.529 1.00 0.00 O ATOM 1105 OE2 GLU A 69 -6.042 16.319 -2.398 1.00 0.00 O ATOM 0 H GLU A 69 -1.296 12.967 -0.947 1.00 0.00 H new ATOM 0 HA GLU A 69 -1.395 15.741 -0.320 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -2.278 14.672 -2.402 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -3.506 13.861 -1.452 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -4.192 16.252 -0.677 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -3.229 16.814 -2.028 1.00 0.00 H new ATOM 1112 N ASN A 70 -3.317 13.680 1.381 1.00 0.00 N ATOM 1113 CA ASN A 70 -4.152 13.550 2.569 1.00 0.00 C ATOM 1114 C ASN A 70 -3.516 12.604 3.586 1.00 0.00 C ATOM 1115 O ASN A 70 -4.189 12.103 4.486 1.00 0.00 O ATOM 1116 CB ASN A 70 -5.552 13.048 2.187 1.00 0.00 C ATOM 1117 CG ASN A 70 -5.574 12.325 0.850 1.00 0.00 C ATOM 1118 OD1 ASN A 70 -5.836 11.124 0.785 1.00 0.00 O ATOM 1119 ND2 ASN A 70 -5.296 13.058 -0.224 1.00 0.00 N ATOM 0 H ASN A 70 -3.141 12.801 0.894 1.00 0.00 H new ATOM 0 HA ASN A 70 -4.241 14.535 3.026 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -5.917 12.376 2.964 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -6.238 13.894 2.149 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -5.294 12.628 -1.149 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -5.084 14.051 -0.123 1.00 0.00 H new ATOM 1126 N SER A 71 -2.214 12.367 3.438 1.00 0.00 N ATOM 1127 CA SER A 71 -1.490 11.484 4.345 1.00 0.00 C ATOM 1128 C SER A 71 0.020 11.655 4.177 1.00 0.00 C ATOM 1129 O SER A 71 0.709 10.746 3.713 1.00 0.00 O ATOM 1130 CB SER A 71 -1.890 10.027 4.098 1.00 0.00 C ATOM 1131 OG SER A 71 -2.685 9.529 5.160 1.00 0.00 O ATOM 0 H SER A 71 -1.641 12.774 2.699 1.00 0.00 H new ATOM 0 HA SER A 71 -1.753 11.752 5.368 1.00 0.00 H new ATOM 0 HB2 SER A 71 -2.441 9.952 3.161 1.00 0.00 H new ATOM 0 HB3 SER A 71 -0.995 9.414 3.991 1.00 0.00 H new ATOM 0 HG SER A 71 -3.437 10.137 5.319 1.00 0.00 H new ATOM 1137 N PRO A 72 0.555 12.830 4.549 1.00 0.00 N ATOM 1138 CA PRO A 72 1.987 13.118 4.435 1.00 0.00 C ATOM 1139 C PRO A 72 2.816 12.314 5.425 1.00 0.00 C ATOM 1140 O PRO A 72 4.021 12.134 5.245 1.00 0.00 O ATOM 1141 CB PRO A 72 2.092 14.621 4.743 1.00 0.00 C ATOM 1142 CG PRO A 72 0.688 15.135 4.745 1.00 0.00 C ATOM 1143 CD PRO A 72 -0.185 13.968 5.106 1.00 0.00 C ATOM 0 HA PRO A 72 2.373 12.851 3.451 1.00 0.00 H new ATOM 0 HB2 PRO A 72 2.572 14.790 5.707 1.00 0.00 H new ATOM 0 HB3 PRO A 72 2.695 15.133 3.993 1.00 0.00 H new ATOM 0 HG2 PRO A 72 0.571 15.946 5.464 1.00 0.00 H new ATOM 0 HG3 PRO A 72 0.419 15.535 3.768 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -0.316 13.878 6.184 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -1.180 14.056 4.671 1.00 0.00 H new ATOM 1151 N ASP A 73 2.158 11.837 6.465 1.00 0.00 N ATOM 1152 CA ASP A 73 2.817 11.045 7.497 1.00 0.00 C ATOM 1153 C ASP A 73 2.553 9.558 7.288 1.00 0.00 C ATOM 1154 O ASP A 73 2.460 8.791 8.245 1.00 0.00 O ATOM 1155 CB ASP A 73 2.333 11.471 8.884 1.00 0.00 C ATOM 1156 CG ASP A 73 3.191 10.901 9.996 1.00 0.00 C ATOM 1157 OD1 ASP A 73 4.204 11.539 10.352 1.00 0.00 O ATOM 1158 OD2 ASP A 73 2.851 9.816 10.512 1.00 0.00 O ATOM 0 H ASP A 73 1.161 11.983 6.621 1.00 0.00 H new ATOM 0 HA ASP A 73 3.890 11.220 7.426 1.00 0.00 H new ATOM 0 HB2 ASP A 73 2.336 12.559 8.948 1.00 0.00 H new ATOM 0 HB3 ASP A 73 1.302 11.146 9.022 1.00 0.00 H new ATOM 1163 N SER A 74 2.429 9.163 6.025 1.00 0.00 N ATOM 1164 CA SER A 74 2.171 7.770 5.679 1.00 0.00 C ATOM 1165 C SER A 74 3.369 7.162 4.947 1.00 0.00 C ATOM 1166 O SER A 74 4.492 7.653 5.068 1.00 0.00 O ATOM 1167 CB SER A 74 0.910 7.676 4.814 1.00 0.00 C ATOM 1168 OG SER A 74 0.613 6.330 4.485 1.00 0.00 O ATOM 0 H SER A 74 2.503 9.789 5.223 1.00 0.00 H new ATOM 0 HA SER A 74 2.015 7.204 6.597 1.00 0.00 H new ATOM 0 HB2 SER A 74 0.067 8.117 5.346 1.00 0.00 H new ATOM 0 HB3 SER A 74 1.049 8.254 3.900 1.00 0.00 H new ATOM 0 HG SER A 74 -0.358 6.215 4.425 1.00 0.00 H new ATOM 1174 N VAL A 75 3.123 6.103 4.180 1.00 0.00 N ATOM 1175 CA VAL A 75 4.185 5.451 3.426 1.00 0.00 C ATOM 1176 C VAL A 75 3.637 4.711 2.219 1.00 0.00 C ATOM 1177 O VAL A 75 2.604 4.064 2.297 1.00 0.00 O ATOM 1178 CB VAL A 75 4.979 4.454 4.284 1.00 0.00 C ATOM 1179 CG1 VAL A 75 6.151 3.902 3.482 1.00 0.00 C ATOM 1180 CG2 VAL A 75 5.457 5.113 5.568 1.00 0.00 C ATOM 0 H VAL A 75 2.201 5.681 4.066 1.00 0.00 H new ATOM 0 HA VAL A 75 4.850 6.250 3.100 1.00 0.00 H new ATOM 0 HB VAL A 75 4.327 3.626 4.560 1.00 0.00 H new ATOM 0 HG11 VAL A 75 6.711 3.196 4.095 1.00 0.00 H new ATOM 0 HG12 VAL A 75 5.777 3.394 2.593 1.00 0.00 H new ATOM 0 HG13 VAL A 75 6.805 4.721 3.183 1.00 0.00 H new ATOM 0 HG21 VAL A 75 6.017 4.390 6.161 1.00 0.00 H new ATOM 0 HG22 VAL A 75 6.100 5.959 5.325 1.00 0.00 H new ATOM 0 HG23 VAL A 75 4.597 5.463 6.139 1.00 0.00 H new ATOM 1190 N VAL A 76 4.332 4.828 1.099 1.00 0.00 N ATOM 1191 CA VAL A 76 3.899 4.173 -0.132 1.00 0.00 C ATOM 1192 C VAL A 76 4.926 3.155 -0.610 1.00 0.00 C ATOM 1193 O VAL A 76 5.931 3.514 -1.223 1.00 0.00 O ATOM 1194 CB VAL A 76 3.636 5.189 -1.261 1.00 0.00 C ATOM 1195 CG1 VAL A 76 2.760 4.573 -2.340 1.00 0.00 C ATOM 1196 CG2 VAL A 76 2.998 6.458 -0.710 1.00 0.00 C ATOM 0 H VAL A 76 5.194 5.366 1.013 1.00 0.00 H new ATOM 0 HA VAL A 76 2.966 3.661 0.105 1.00 0.00 H new ATOM 0 HB VAL A 76 4.593 5.458 -1.707 1.00 0.00 H new ATOM 0 HG11 VAL A 76 2.585 5.305 -3.129 1.00 0.00 H new ATOM 0 HG12 VAL A 76 3.260 3.700 -2.760 1.00 0.00 H new ATOM 0 HG13 VAL A 76 1.806 4.272 -1.906 1.00 0.00 H new ATOM 0 HG21 VAL A 76 2.822 7.160 -1.525 1.00 0.00 H new ATOM 0 HG22 VAL A 76 2.050 6.211 -0.233 1.00 0.00 H new ATOM 0 HG23 VAL A 76 3.665 6.912 0.022 1.00 0.00 H new ATOM 1206 N ILE A 77 4.664 1.883 -0.332 1.00 0.00 N ATOM 1207 CA ILE A 77 5.564 0.813 -0.741 1.00 0.00 C ATOM 1208 C ILE A 77 5.327 0.436 -2.199 1.00 0.00 C ATOM 1209 O ILE A 77 6.250 0.457 -3.013 1.00 0.00 O ATOM 1210 CB ILE A 77 5.392 -0.438 0.144 1.00 0.00 C ATOM 1211 CG1 ILE A 77 5.541 -0.068 1.621 1.00 0.00 C ATOM 1212 CG2 ILE A 77 6.403 -1.508 -0.243 1.00 0.00 C ATOM 1213 CD1 ILE A 77 6.918 0.448 1.978 1.00 0.00 C ATOM 0 H ILE A 77 3.836 1.568 0.174 1.00 0.00 H new ATOM 0 HA ILE A 77 6.582 1.186 -0.624 1.00 0.00 H new ATOM 0 HB ILE A 77 4.391 -0.839 -0.013 1.00 0.00 H new ATOM 0 HG12 ILE A 77 4.801 0.691 1.874 1.00 0.00 H new ATOM 0 HG13 ILE A 77 5.321 -0.944 2.231 1.00 0.00 H new ATOM 0 HG21 ILE A 77 6.267 -2.384 0.392 1.00 0.00 H new ATOM 0 HG22 ILE A 77 6.254 -1.789 -1.286 1.00 0.00 H new ATOM 0 HG23 ILE A 77 7.413 -1.119 -0.113 1.00 0.00 H new ATOM 0 HD11 ILE A 77 6.952 0.691 3.040 1.00 0.00 H new ATOM 0 HD12 ILE A 77 7.662 -0.317 1.757 1.00 0.00 H new ATOM 0 HD13 ILE A 77 7.134 1.343 1.394 1.00 0.00 H new ATOM 1225 N VAL A 78 4.083 0.099 -2.523 1.00 0.00 N ATOM 1226 CA VAL A 78 3.720 -0.277 -3.885 1.00 0.00 C ATOM 1227 C VAL A 78 4.548 -1.464 -4.371 1.00 0.00 C ATOM 1228 O VAL A 78 5.746 -1.339 -4.617 1.00 0.00 O ATOM 1229 CB VAL A 78 3.903 0.906 -4.856 1.00 0.00 C ATOM 1230 CG1 VAL A 78 3.410 0.540 -6.248 1.00 0.00 C ATOM 1231 CG2 VAL A 78 3.177 2.138 -4.337 1.00 0.00 C ATOM 0 H VAL A 78 3.308 0.079 -1.860 1.00 0.00 H new ATOM 0 HA VAL A 78 2.668 -0.563 -3.868 1.00 0.00 H new ATOM 0 HB VAL A 78 4.967 1.135 -4.921 1.00 0.00 H new ATOM 0 HG11 VAL A 78 3.548 1.389 -6.918 1.00 0.00 H new ATOM 0 HG12 VAL A 78 3.976 -0.313 -6.622 1.00 0.00 H new ATOM 0 HG13 VAL A 78 2.352 0.282 -6.203 1.00 0.00 H new ATOM 0 HG21 VAL A 78 3.317 2.964 -5.035 1.00 0.00 H new ATOM 0 HG22 VAL A 78 2.113 1.920 -4.241 1.00 0.00 H new ATOM 0 HG23 VAL A 78 3.580 2.414 -3.363 1.00 0.00 H new ATOM 1241 N ILE A 79 3.898 -2.617 -4.502 1.00 0.00 N ATOM 1242 CA ILE A 79 4.573 -3.829 -4.954 1.00 0.00 C ATOM 1243 C ILE A 79 4.024 -4.268 -6.316 1.00 0.00 C ATOM 1244 O ILE A 79 3.432 -3.464 -7.035 1.00 0.00 O ATOM 1245 CB ILE A 79 4.414 -4.979 -3.927 1.00 0.00 C ATOM 1246 CG1 ILE A 79 4.276 -4.419 -2.510 1.00 0.00 C ATOM 1247 CG2 ILE A 79 5.608 -5.925 -3.996 1.00 0.00 C ATOM 1248 CD1 ILE A 79 3.927 -5.468 -1.476 1.00 0.00 C ATOM 0 H ILE A 79 2.905 -2.737 -4.302 1.00 0.00 H new ATOM 0 HA ILE A 79 5.635 -3.602 -5.050 1.00 0.00 H new ATOM 0 HB ILE A 79 3.509 -5.534 -4.175 1.00 0.00 H new ATOM 0 HG12 ILE A 79 5.212 -3.938 -2.226 1.00 0.00 H new ATOM 0 HG13 ILE A 79 3.506 -3.647 -2.507 1.00 0.00 H new ATOM 0 HG21 ILE A 79 5.480 -6.726 -3.268 1.00 0.00 H new ATOM 0 HG22 ILE A 79 5.677 -6.351 -4.997 1.00 0.00 H new ATOM 0 HG23 ILE A 79 6.522 -5.374 -3.772 1.00 0.00 H new ATOM 0 HD11 ILE A 79 3.845 -4.999 -0.495 1.00 0.00 H new ATOM 0 HD12 ILE A 79 2.976 -5.933 -1.736 1.00 0.00 H new ATOM 0 HD13 ILE A 79 4.708 -6.228 -1.451 1.00 0.00 H new ATOM 1260 N THR A 80 4.222 -5.539 -6.672 1.00 0.00 N ATOM 1261 CA THR A 80 3.744 -6.067 -7.950 1.00 0.00 C ATOM 1262 C THR A 80 4.315 -5.268 -9.119 1.00 0.00 C ATOM 1263 O THR A 80 4.840 -4.171 -8.937 1.00 0.00 O ATOM 1264 CB THR A 80 2.211 -6.060 -8.008 1.00 0.00 C ATOM 1265 OG1 THR A 80 1.666 -5.279 -6.962 1.00 0.00 O ATOM 1266 CG2 THR A 80 1.606 -7.443 -7.907 1.00 0.00 C ATOM 0 H THR A 80 4.710 -6.221 -6.092 1.00 0.00 H new ATOM 0 HA THR A 80 4.090 -7.097 -8.031 1.00 0.00 H new ATOM 0 HB THR A 80 1.964 -5.637 -8.982 1.00 0.00 H new ATOM 0 HG1 THR A 80 1.765 -5.756 -6.112 1.00 0.00 H new ATOM 0 HG21 THR A 80 0.520 -7.369 -7.954 1.00 0.00 H new ATOM 0 HG22 THR A 80 1.964 -8.058 -8.733 1.00 0.00 H new ATOM 0 HG23 THR A 80 1.898 -7.900 -6.961 1.00 0.00 H new ATOM 1317 N VAL A 85 11.295 -2.918 -14.837 1.00 0.00 N ATOM 1318 CA VAL A 85 11.133 -2.096 -13.644 1.00 0.00 C ATOM 1319 C VAL A 85 10.894 -0.633 -14.014 1.00 0.00 C ATOM 1320 O VAL A 85 11.384 0.276 -13.345 1.00 0.00 O ATOM 1321 CB VAL A 85 12.366 -2.197 -12.723 1.00 0.00 C ATOM 1322 CG1 VAL A 85 13.599 -1.621 -13.404 1.00 0.00 C ATOM 1323 CG2 VAL A 85 12.104 -1.498 -11.397 1.00 0.00 C ATOM 0 HA VAL A 85 10.262 -2.475 -13.109 1.00 0.00 H new ATOM 0 HB VAL A 85 12.554 -3.251 -12.521 1.00 0.00 H new ATOM 0 HG11 VAL A 85 14.456 -1.703 -12.735 1.00 0.00 H new ATOM 0 HG12 VAL A 85 13.800 -2.175 -14.321 1.00 0.00 H new ATOM 0 HG13 VAL A 85 13.425 -0.572 -13.644 1.00 0.00 H new ATOM 0 HG21 VAL A 85 12.986 -1.581 -10.762 1.00 0.00 H new ATOM 0 HG22 VAL A 85 11.884 -0.446 -11.578 1.00 0.00 H new ATOM 0 HG23 VAL A 85 11.254 -1.966 -10.901 1.00 0.00 H new ATOM 1333 N ASP A 86 10.137 -0.416 -15.085 1.00 0.00 N ATOM 1334 CA ASP A 86 9.831 0.935 -15.545 1.00 0.00 C ATOM 1335 C ASP A 86 8.618 1.501 -14.813 1.00 0.00 C ATOM 1336 O ASP A 86 8.448 2.717 -14.728 1.00 0.00 O ATOM 1337 CB ASP A 86 9.581 0.939 -17.053 1.00 0.00 C ATOM 1338 CG ASP A 86 8.394 0.080 -17.444 1.00 0.00 C ATOM 1339 OD1 ASP A 86 7.251 0.577 -17.369 1.00 0.00 O ATOM 1340 OD2 ASP A 86 8.608 -1.090 -17.826 1.00 0.00 O ATOM 0 H ASP A 86 9.724 -1.158 -15.651 1.00 0.00 H new ATOM 0 HA ASP A 86 10.690 1.568 -15.325 1.00 0.00 H new ATOM 0 HB2 ASP A 86 9.412 1.962 -17.388 1.00 0.00 H new ATOM 0 HB3 ASP A 86 10.472 0.579 -17.567 1.00 0.00 H new ATOM 1345 N THR A 87 7.784 0.616 -14.270 1.00 0.00 N ATOM 1346 CA THR A 87 6.604 1.046 -13.531 1.00 0.00 C ATOM 1347 C THR A 87 7.003 1.461 -12.123 1.00 0.00 C ATOM 1348 O THR A 87 6.464 2.416 -11.564 1.00 0.00 O ATOM 1349 CB THR A 87 5.552 -0.072 -13.487 1.00 0.00 C ATOM 1350 OG1 THR A 87 4.255 0.470 -13.323 1.00 0.00 O ATOM 1351 CG2 THR A 87 5.771 -1.077 -12.373 1.00 0.00 C ATOM 0 H THR A 87 7.904 -0.395 -14.328 1.00 0.00 H new ATOM 0 HA THR A 87 6.162 1.902 -14.041 1.00 0.00 H new ATOM 0 HB THR A 87 5.653 -0.592 -14.440 1.00 0.00 H new ATOM 0 HG1 THR A 87 3.598 -0.256 -13.299 1.00 0.00 H new ATOM 0 HG21 THR A 87 4.988 -1.835 -12.407 1.00 0.00 H new ATOM 0 HG22 THR A 87 6.743 -1.554 -12.499 1.00 0.00 H new ATOM 0 HG23 THR A 87 5.739 -0.566 -11.411 1.00 0.00 H new ATOM 1359 N ALA A 88 7.973 0.742 -11.567 1.00 0.00 N ATOM 1360 CA ALA A 88 8.476 1.033 -10.234 1.00 0.00 C ATOM 1361 C ALA A 88 8.952 2.472 -10.156 1.00 0.00 C ATOM 1362 O ALA A 88 8.474 3.261 -9.340 1.00 0.00 O ATOM 1363 CB ALA A 88 9.617 0.090 -9.888 1.00 0.00 C ATOM 0 H ALA A 88 8.427 -0.049 -12.023 1.00 0.00 H new ATOM 0 HA ALA A 88 7.668 0.889 -9.517 1.00 0.00 H new ATOM 0 HB1 ALA A 88 9.986 0.317 -8.888 1.00 0.00 H new ATOM 0 HB2 ALA A 88 9.260 -0.939 -9.918 1.00 0.00 H new ATOM 0 HB3 ALA A 88 10.424 0.215 -10.610 1.00 0.00 H new ATOM 1369 N VAL A 89 9.895 2.804 -11.026 1.00 0.00 N ATOM 1370 CA VAL A 89 10.447 4.147 -11.083 1.00 0.00 C ATOM 1371 C VAL A 89 9.348 5.179 -11.320 1.00 0.00 C ATOM 1372 O VAL A 89 9.480 6.340 -10.934 1.00 0.00 O ATOM 1373 CB VAL A 89 11.506 4.265 -12.199 1.00 0.00 C ATOM 1374 CG1 VAL A 89 12.631 3.267 -11.973 1.00 0.00 C ATOM 1375 CG2 VAL A 89 10.871 4.055 -13.566 1.00 0.00 C ATOM 0 H VAL A 89 10.295 2.156 -11.705 1.00 0.00 H new ATOM 0 HA VAL A 89 10.921 4.344 -10.121 1.00 0.00 H new ATOM 0 HB VAL A 89 11.926 5.270 -12.169 1.00 0.00 H new ATOM 0 HG11 VAL A 89 13.369 3.364 -12.769 1.00 0.00 H new ATOM 0 HG12 VAL A 89 13.106 3.465 -11.012 1.00 0.00 H new ATOM 0 HG13 VAL A 89 12.226 2.255 -11.975 1.00 0.00 H new ATOM 0 HG21 VAL A 89 11.634 4.142 -14.339 1.00 0.00 H new ATOM 0 HG22 VAL A 89 10.422 3.063 -13.610 1.00 0.00 H new ATOM 0 HG23 VAL A 89 10.101 4.809 -13.729 1.00 0.00 H new ATOM 1385 N LYS A 90 8.257 4.745 -11.951 1.00 0.00 N ATOM 1386 CA LYS A 90 7.131 5.628 -12.231 1.00 0.00 C ATOM 1387 C LYS A 90 6.155 5.643 -11.058 1.00 0.00 C ATOM 1388 O LYS A 90 4.938 5.633 -11.247 1.00 0.00 O ATOM 1389 CB LYS A 90 6.407 5.184 -13.502 1.00 0.00 C ATOM 1390 CG LYS A 90 5.335 6.160 -13.964 1.00 0.00 C ATOM 1391 CD LYS A 90 4.914 5.893 -15.401 1.00 0.00 C ATOM 1392 CE LYS A 90 5.127 7.115 -16.284 1.00 0.00 C ATOM 1393 NZ LYS A 90 3.963 7.363 -17.181 1.00 0.00 N ATOM 0 H LYS A 90 8.132 3.787 -12.277 1.00 0.00 H new ATOM 0 HA LYS A 90 7.519 6.636 -12.378 1.00 0.00 H new ATOM 0 HB2 LYS A 90 7.138 5.055 -14.300 1.00 0.00 H new ATOM 0 HB3 LYS A 90 5.950 4.210 -13.328 1.00 0.00 H new ATOM 0 HG2 LYS A 90 4.466 6.083 -13.310 1.00 0.00 H new ATOM 0 HG3 LYS A 90 5.710 7.180 -13.878 1.00 0.00 H new ATOM 0 HD2 LYS A 90 5.484 5.053 -15.798 1.00 0.00 H new ATOM 0 HD3 LYS A 90 3.863 5.605 -15.425 1.00 0.00 H new ATOM 0 HE2 LYS A 90 5.295 7.991 -15.657 1.00 0.00 H new ATOM 0 HE3 LYS A 90 6.025 6.976 -16.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 4.148 8.203 -17.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 3.818 6.538 -17.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 3.110 7.521 -16.607 1.00 0.00 H new ATOM 1407 N ALA A 91 6.695 5.659 -9.846 1.00 0.00 N ATOM 1408 CA ALA A 91 5.874 5.669 -8.645 1.00 0.00 C ATOM 1409 C ALA A 91 6.725 5.925 -7.407 1.00 0.00 C ATOM 1410 O ALA A 91 6.315 6.642 -6.495 1.00 0.00 O ATOM 1411 CB ALA A 91 5.126 4.351 -8.512 1.00 0.00 C ATOM 0 H ALA A 91 7.700 5.665 -9.670 1.00 0.00 H new ATOM 0 HA ALA A 91 5.149 6.479 -8.730 1.00 0.00 H new ATOM 0 HB1 ALA A 91 4.515 4.369 -7.610 1.00 0.00 H new ATOM 0 HB2 ALA A 91 4.485 4.207 -9.382 1.00 0.00 H new ATOM 0 HB3 ALA A 91 5.842 3.531 -8.449 1.00 0.00 H new ATOM 1417 N ILE A 92 7.911 5.323 -7.379 1.00 0.00 N ATOM 1418 CA ILE A 92 8.821 5.474 -6.251 1.00 0.00 C ATOM 1419 C ILE A 92 9.497 6.842 -6.257 1.00 0.00 C ATOM 1420 O ILE A 92 9.846 7.376 -5.203 1.00 0.00 O ATOM 1421 CB ILE A 92 9.893 4.360 -6.236 1.00 0.00 C ATOM 1422 CG1 ILE A 92 10.985 4.623 -7.278 1.00 0.00 C ATOM 1423 CG2 ILE A 92 9.248 3.001 -6.483 1.00 0.00 C ATOM 1424 CD1 ILE A 92 12.030 3.528 -7.345 1.00 0.00 C ATOM 0 H ILE A 92 8.263 4.725 -8.127 1.00 0.00 H new ATOM 0 HA ILE A 92 8.219 5.389 -5.347 1.00 0.00 H new ATOM 0 HB ILE A 92 10.360 4.359 -5.251 1.00 0.00 H new ATOM 0 HG12 ILE A 92 10.522 4.733 -8.259 1.00 0.00 H new ATOM 0 HG13 ILE A 92 11.475 5.569 -7.049 1.00 0.00 H new ATOM 0 HG21 ILE A 92 10.015 2.226 -6.470 1.00 0.00 H new ATOM 0 HG22 ILE A 92 8.515 2.799 -5.702 1.00 0.00 H new ATOM 0 HG23 ILE A 92 8.753 3.004 -7.454 1.00 0.00 H new ATOM 0 HD11 ILE A 92 12.772 3.779 -8.103 1.00 0.00 H new ATOM 0 HD12 ILE A 92 12.519 3.432 -6.376 1.00 0.00 H new ATOM 0 HD13 ILE A 92 11.551 2.584 -7.605 1.00 0.00 H new ATOM 1436 N LYS A 93 9.673 7.408 -7.446 1.00 0.00 N ATOM 1437 CA LYS A 93 10.302 8.717 -7.581 1.00 0.00 C ATOM 1438 C LYS A 93 9.307 9.837 -7.281 1.00 0.00 C ATOM 1439 O LYS A 93 9.702 10.968 -6.996 1.00 0.00 O ATOM 1440 CB LYS A 93 10.875 8.891 -8.989 1.00 0.00 C ATOM 1441 CG LYS A 93 12.134 9.740 -9.032 1.00 0.00 C ATOM 1442 CD LYS A 93 12.448 10.204 -10.445 1.00 0.00 C ATOM 1443 CE LYS A 93 12.921 11.650 -10.465 1.00 0.00 C ATOM 1444 NZ LYS A 93 14.383 11.761 -10.209 1.00 0.00 N ATOM 0 H LYS A 93 9.390 6.982 -8.328 1.00 0.00 H new ATOM 0 HA LYS A 93 11.114 8.775 -6.857 1.00 0.00 H new ATOM 0 HB2 LYS A 93 11.095 7.909 -9.407 1.00 0.00 H new ATOM 0 HB3 LYS A 93 10.118 9.347 -9.627 1.00 0.00 H new ATOM 0 HG2 LYS A 93 12.011 10.607 -8.383 1.00 0.00 H new ATOM 0 HG3 LYS A 93 12.974 9.166 -8.642 1.00 0.00 H new ATOM 0 HD2 LYS A 93 13.216 9.563 -10.877 1.00 0.00 H new ATOM 0 HD3 LYS A 93 11.560 10.102 -11.068 1.00 0.00 H new ATOM 0 HE2 LYS A 93 12.687 12.095 -11.432 1.00 0.00 H new ATOM 0 HE3 LYS A 93 12.377 12.220 -9.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 14.664 12.762 -10.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 14.603 11.360 -9.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 14.904 11.239 -10.942 1.00 0.00 H new ATOM 1458 N LYS A 94 8.018 9.516 -7.348 1.00 0.00 N ATOM 1459 CA LYS A 94 6.972 10.498 -7.084 1.00 0.00 C ATOM 1460 C LYS A 94 6.846 10.785 -5.591 1.00 0.00 C ATOM 1461 O LYS A 94 6.360 11.844 -5.193 1.00 0.00 O ATOM 1462 CB LYS A 94 5.634 10.007 -7.634 1.00 0.00 C ATOM 1463 CG LYS A 94 5.549 10.043 -9.152 1.00 0.00 C ATOM 1464 CD LYS A 94 4.472 11.002 -9.632 1.00 0.00 C ATOM 1465 CE LYS A 94 4.724 12.418 -9.138 1.00 0.00 C ATOM 1466 NZ LYS A 94 4.403 13.435 -10.178 1.00 0.00 N ATOM 0 H LYS A 94 7.674 8.585 -7.582 1.00 0.00 H new ATOM 0 HA LYS A 94 7.249 11.424 -7.587 1.00 0.00 H new ATOM 0 HB2 LYS A 94 5.463 8.986 -7.293 1.00 0.00 H new ATOM 0 HB3 LYS A 94 4.833 10.619 -7.219 1.00 0.00 H new ATOM 0 HG2 LYS A 94 6.513 10.343 -9.563 1.00 0.00 H new ATOM 0 HG3 LYS A 94 5.339 9.042 -9.529 1.00 0.00 H new ATOM 0 HD2 LYS A 94 4.438 10.997 -10.721 1.00 0.00 H new ATOM 0 HD3 LYS A 94 3.498 10.661 -9.281 1.00 0.00 H new ATOM 0 HE2 LYS A 94 4.121 12.605 -8.249 1.00 0.00 H new ATOM 0 HE3 LYS A 94 5.768 12.519 -8.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 4.588 14.387 -9.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 4.996 13.273 -11.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 3.400 13.357 -10.442 1.00 0.00 H new ATOM 1480 N GLY A 95 7.290 9.842 -4.764 1.00 0.00 N ATOM 1481 CA GLY A 95 7.218 10.029 -3.325 1.00 0.00 C ATOM 1482 C GLY A 95 6.932 8.747 -2.558 1.00 0.00 C ATOM 1483 O GLY A 95 6.441 8.796 -1.431 1.00 0.00 O ATOM 0 H GLY A 95 7.697 8.956 -5.063 1.00 0.00 H new ATOM 0 HA2 GLY A 95 8.160 10.450 -2.974 1.00 0.00 H new ATOM 0 HA3 GLY A 95 6.440 10.758 -3.100 1.00 0.00 H new ATOM 1487 N ALA A 96 7.239 7.597 -3.157 1.00 0.00 N ATOM 1488 CA ALA A 96 7.006 6.316 -2.500 1.00 0.00 C ATOM 1489 C ALA A 96 8.227 5.881 -1.692 1.00 0.00 C ATOM 1490 O ALA A 96 9.123 6.682 -1.423 1.00 0.00 O ATOM 1491 CB ALA A 96 6.630 5.251 -3.522 1.00 0.00 C ATOM 0 H ALA A 96 7.647 7.528 -4.089 1.00 0.00 H new ATOM 0 HA ALA A 96 6.173 6.439 -1.807 1.00 0.00 H new ATOM 0 HB1 ALA A 96 6.460 4.302 -3.013 1.00 0.00 H new ATOM 0 HB2 ALA A 96 5.721 5.551 -4.043 1.00 0.00 H new ATOM 0 HB3 ALA A 96 7.440 5.136 -4.243 1.00 0.00 H new ATOM 1497 N TYR A 97 8.252 4.610 -1.306 1.00 0.00 N ATOM 1498 CA TYR A 97 9.357 4.066 -0.526 1.00 0.00 C ATOM 1499 C TYR A 97 10.129 3.020 -1.325 1.00 0.00 C ATOM 1500 O TYR A 97 10.767 2.135 -0.756 1.00 0.00 O ATOM 1501 CB TYR A 97 8.826 3.446 0.764 1.00 0.00 C ATOM 1502 CG TYR A 97 9.909 2.995 1.719 1.00 0.00 C ATOM 1503 CD1 TYR A 97 10.632 3.917 2.466 1.00 0.00 C ATOM 1504 CD2 TYR A 97 10.206 1.647 1.873 1.00 0.00 C ATOM 1505 CE1 TYR A 97 11.621 3.507 3.340 1.00 0.00 C ATOM 1506 CE2 TYR A 97 11.192 1.230 2.746 1.00 0.00 C ATOM 1507 CZ TYR A 97 11.897 2.164 3.476 1.00 0.00 C ATOM 1508 OH TYR A 97 12.880 1.752 4.346 1.00 0.00 O ATOM 0 H TYR A 97 7.517 3.936 -1.521 1.00 0.00 H new ATOM 0 HA TYR A 97 10.038 4.882 -0.283 1.00 0.00 H new ATOM 0 HB2 TYR A 97 8.189 4.172 1.269 1.00 0.00 H new ATOM 0 HB3 TYR A 97 8.198 2.591 0.513 1.00 0.00 H new ATOM 0 HD1 TYR A 97 10.418 4.970 2.362 1.00 0.00 H new ATOM 0 HD2 TYR A 97 9.657 0.913 1.301 1.00 0.00 H new ATOM 0 HE1 TYR A 97 12.175 4.236 3.913 1.00 0.00 H new ATOM 0 HE2 TYR A 97 11.410 0.178 2.856 1.00 0.00 H new ATOM 0 HH TYR A 97 12.948 0.775 4.324 1.00 0.00 H new ATOM 1518 N GLU A 98 10.060 3.133 -2.647 1.00 0.00 N ATOM 1519 CA GLU A 98 10.744 2.207 -3.550 1.00 0.00 C ATOM 1520 C GLU A 98 9.954 0.911 -3.702 1.00 0.00 C ATOM 1521 O GLU A 98 9.408 0.384 -2.733 1.00 0.00 O ATOM 1522 CB GLU A 98 12.178 1.924 -3.067 1.00 0.00 C ATOM 1523 CG GLU A 98 12.362 0.578 -2.374 1.00 0.00 C ATOM 1524 CD GLU A 98 13.556 0.560 -1.441 1.00 0.00 C ATOM 1525 OE1 GLU A 98 13.690 1.500 -0.630 1.00 0.00 O ATOM 1526 OE2 GLU A 98 14.357 -0.396 -1.519 1.00 0.00 O ATOM 0 H GLU A 98 9.532 3.864 -3.123 1.00 0.00 H new ATOM 0 HA GLU A 98 10.808 2.679 -4.530 1.00 0.00 H new ATOM 0 HB2 GLU A 98 12.851 1.972 -3.923 1.00 0.00 H new ATOM 0 HB3 GLU A 98 12.479 2.715 -2.380 1.00 0.00 H new ATOM 0 HG2 GLU A 98 11.461 0.338 -1.809 1.00 0.00 H new ATOM 0 HG3 GLU A 98 12.483 -0.201 -3.127 1.00 0.00 H new ATOM 1533 N PHE A 99 9.900 0.406 -4.929 1.00 0.00 N ATOM 1534 CA PHE A 99 9.181 -0.825 -5.225 1.00 0.00 C ATOM 1535 C PHE A 99 9.702 -1.982 -4.378 1.00 0.00 C ATOM 1536 O PHE A 99 10.907 -2.222 -4.310 1.00 0.00 O ATOM 1537 CB PHE A 99 9.316 -1.161 -6.711 1.00 0.00 C ATOM 1538 CG PHE A 99 8.024 -1.063 -7.474 1.00 0.00 C ATOM 1539 CD1 PHE A 99 7.157 -0.003 -7.263 1.00 0.00 C ATOM 1540 CD2 PHE A 99 7.680 -2.030 -8.407 1.00 0.00 C ATOM 1541 CE1 PHE A 99 5.971 0.091 -7.967 1.00 0.00 C ATOM 1542 CE2 PHE A 99 6.496 -1.941 -9.113 1.00 0.00 C ATOM 1543 CZ PHE A 99 5.640 -0.879 -8.894 1.00 0.00 C ATOM 0 H PHE A 99 10.349 0.834 -5.739 1.00 0.00 H new ATOM 0 HA PHE A 99 8.129 -0.674 -4.982 1.00 0.00 H new ATOM 0 HB2 PHE A 99 10.045 -0.488 -7.162 1.00 0.00 H new ATOM 0 HB3 PHE A 99 9.711 -2.172 -6.811 1.00 0.00 H new ATOM 0 HD1 PHE A 99 7.411 0.758 -6.540 1.00 0.00 H new ATOM 0 HD2 PHE A 99 8.345 -2.862 -8.584 1.00 0.00 H new ATOM 0 HE1 PHE A 99 5.304 0.922 -7.793 1.00 0.00 H new ATOM 0 HE2 PHE A 99 6.240 -2.701 -9.836 1.00 0.00 H new ATOM 0 HZ PHE A 99 4.714 -0.807 -9.446 1.00 0.00 H new ATOM 1553 N LEU A 100 8.785 -2.698 -3.736 1.00 0.00 N ATOM 1554 CA LEU A 100 9.148 -3.830 -2.898 1.00 0.00 C ATOM 1555 C LEU A 100 9.455 -5.056 -3.752 1.00 0.00 C ATOM 1556 O LEU A 100 8.604 -5.529 -4.505 1.00 0.00 O ATOM 1557 CB LEU A 100 8.014 -4.143 -1.919 1.00 0.00 C ATOM 1558 CG LEU A 100 8.444 -4.816 -0.614 1.00 0.00 C ATOM 1559 CD1 LEU A 100 9.459 -5.912 -0.890 1.00 0.00 C ATOM 1560 CD2 LEU A 100 9.013 -3.789 0.352 1.00 0.00 C ATOM 0 H LEU A 100 7.783 -2.512 -3.782 1.00 0.00 H new ATOM 0 HA LEU A 100 10.044 -3.569 -2.335 1.00 0.00 H new ATOM 0 HB2 LEU A 100 7.499 -3.214 -1.677 1.00 0.00 H new ATOM 0 HB3 LEU A 100 7.291 -4.787 -2.420 1.00 0.00 H new ATOM 0 HG LEU A 100 7.566 -5.270 -0.154 1.00 0.00 H new ATOM 0 HD11 LEU A 100 9.754 -6.380 0.049 1.00 0.00 H new ATOM 0 HD12 LEU A 100 9.016 -6.662 -1.545 1.00 0.00 H new ATOM 0 HD13 LEU A 100 10.337 -5.482 -1.372 1.00 0.00 H new ATOM 0 HD21 LEU A 100 9.314 -4.285 1.275 1.00 0.00 H new ATOM 0 HD22 LEU A 100 9.880 -3.306 -0.099 1.00 0.00 H new ATOM 0 HD23 LEU A 100 8.254 -3.039 0.574 1.00 0.00 H new ATOM 1572 N GLU A 101 10.677 -5.565 -3.632 1.00 0.00 N ATOM 1573 CA GLU A 101 11.099 -6.734 -4.395 1.00 0.00 C ATOM 1574 C GLU A 101 10.196 -7.931 -4.107 1.00 0.00 C ATOM 1575 O GLU A 101 9.141 -7.789 -3.487 1.00 0.00 O ATOM 1576 CB GLU A 101 12.553 -7.082 -4.069 1.00 0.00 C ATOM 1577 CG GLU A 101 13.504 -5.903 -4.199 1.00 0.00 C ATOM 1578 CD GLU A 101 14.537 -5.861 -3.093 1.00 0.00 C ATOM 1579 OE1 GLU A 101 14.165 -5.540 -1.944 1.00 0.00 O ATOM 1580 OE2 GLU A 101 15.720 -6.150 -3.372 1.00 0.00 O ATOM 0 H GLU A 101 11.393 -5.186 -3.013 1.00 0.00 H new ATOM 0 HA GLU A 101 11.019 -6.493 -5.455 1.00 0.00 H new ATOM 0 HB2 GLU A 101 12.606 -7.470 -3.052 1.00 0.00 H new ATOM 0 HB3 GLU A 101 12.884 -7.881 -4.733 1.00 0.00 H new ATOM 0 HG2 GLU A 101 14.011 -5.955 -5.162 1.00 0.00 H new ATOM 0 HG3 GLU A 101 12.930 -4.976 -4.190 1.00 0.00 H new ATOM 1654 N VAL A 106 6.117 -12.591 0.671 1.00 0.00 N ATOM 1655 CA VAL A 106 5.569 -11.556 1.541 1.00 0.00 C ATOM 1656 C VAL A 106 6.423 -11.387 2.794 1.00 0.00 C ATOM 1657 O VAL A 106 6.708 -10.266 3.211 1.00 0.00 O ATOM 1658 CB VAL A 106 4.117 -11.875 1.950 1.00 0.00 C ATOM 1659 CG1 VAL A 106 4.053 -13.175 2.737 1.00 0.00 C ATOM 1660 CG2 VAL A 106 3.520 -10.727 2.750 1.00 0.00 C ATOM 0 HA VAL A 106 5.576 -10.625 0.974 1.00 0.00 H new ATOM 0 HB VAL A 106 3.526 -12.000 1.043 1.00 0.00 H new ATOM 0 HG11 VAL A 106 3.020 -13.381 3.016 1.00 0.00 H new ATOM 0 HG12 VAL A 106 4.433 -13.991 2.123 1.00 0.00 H new ATOM 0 HG13 VAL A 106 4.661 -13.085 3.638 1.00 0.00 H new ATOM 0 HG21 VAL A 106 2.495 -10.972 3.029 1.00 0.00 H new ATOM 0 HG22 VAL A 106 4.112 -10.565 3.651 1.00 0.00 H new ATOM 0 HG23 VAL A 106 3.524 -9.821 2.145 1.00 0.00 H new ATOM 1670 N GLU A 107 6.818 -12.508 3.398 1.00 0.00 N ATOM 1671 CA GLU A 107 7.637 -12.493 4.611 1.00 0.00 C ATOM 1672 C GLU A 107 8.695 -11.391 4.563 1.00 0.00 C ATOM 1673 O GLU A 107 8.898 -10.672 5.540 1.00 0.00 O ATOM 1674 CB GLU A 107 8.308 -13.850 4.807 1.00 0.00 C ATOM 1675 CG GLU A 107 8.794 -14.087 6.227 1.00 0.00 C ATOM 1676 CD GLU A 107 10.275 -14.406 6.294 1.00 0.00 C ATOM 1677 OE1 GLU A 107 11.082 -13.457 6.396 1.00 0.00 O ATOM 1678 OE2 GLU A 107 10.628 -15.603 6.244 1.00 0.00 O ATOM 0 H GLU A 107 6.583 -13.443 3.065 1.00 0.00 H new ATOM 0 HA GLU A 107 6.978 -12.288 5.454 1.00 0.00 H new ATOM 0 HB2 GLU A 107 7.604 -14.637 4.536 1.00 0.00 H new ATOM 0 HB3 GLU A 107 9.154 -13.930 4.124 1.00 0.00 H new ATOM 0 HG2 GLU A 107 8.590 -13.201 6.829 1.00 0.00 H new ATOM 0 HG3 GLU A 107 8.229 -14.909 6.667 1.00 0.00 H new ATOM 1685 N ARG A 108 9.357 -11.259 3.418 1.00 0.00 N ATOM 1686 CA ARG A 108 10.383 -10.237 3.245 1.00 0.00 C ATOM 1687 C ARG A 108 9.766 -8.845 3.338 1.00 0.00 C ATOM 1688 O ARG A 108 10.323 -7.946 3.969 1.00 0.00 O ATOM 1689 CB ARG A 108 11.086 -10.409 1.897 1.00 0.00 C ATOM 1690 CG ARG A 108 12.400 -9.650 1.794 1.00 0.00 C ATOM 1691 CD ARG A 108 13.592 -10.572 1.993 1.00 0.00 C ATOM 1692 NE ARG A 108 13.786 -10.921 3.398 1.00 0.00 N ATOM 1693 CZ ARG A 108 14.507 -11.961 3.812 1.00 0.00 C ATOM 1694 NH1 ARG A 108 15.104 -12.755 2.932 1.00 0.00 N ATOM 1695 NH2 ARG A 108 14.631 -12.208 5.109 1.00 0.00 N ATOM 0 H ARG A 108 9.202 -11.845 2.598 1.00 0.00 H new ATOM 0 HA ARG A 108 11.119 -10.350 4.041 1.00 0.00 H new ATOM 0 HB2 ARG A 108 11.274 -11.469 1.728 1.00 0.00 H new ATOM 0 HB3 ARG A 108 10.419 -10.073 1.103 1.00 0.00 H new ATOM 0 HG2 ARG A 108 12.469 -9.170 0.818 1.00 0.00 H new ATOM 0 HG3 ARG A 108 12.423 -8.857 2.541 1.00 0.00 H new ATOM 0 HD2 ARG A 108 13.448 -11.482 1.410 1.00 0.00 H new ATOM 0 HD3 ARG A 108 14.492 -10.089 1.612 1.00 0.00 H new ATOM 0 HE ARG A 108 13.343 -10.333 4.104 1.00 0.00 H new ATOM 0 HH11 ARG A 108 15.012 -12.570 1.933 1.00 0.00 H new ATOM 0 HH12 ARG A 108 15.655 -13.550 3.254 1.00 0.00 H new ATOM 0 HH21 ARG A 108 14.174 -11.601 5.790 1.00 0.00 H new ATOM 0 HH22 ARG A 108 15.183 -13.005 5.426 1.00 0.00 H new ATOM 1709 N PHE A 109 8.607 -8.682 2.711 1.00 0.00 N ATOM 1710 CA PHE A 109 7.895 -7.409 2.722 1.00 0.00 C ATOM 1711 C PHE A 109 7.557 -6.992 4.152 1.00 0.00 C ATOM 1712 O PHE A 109 7.423 -5.805 4.448 1.00 0.00 O ATOM 1713 CB PHE A 109 6.615 -7.521 1.885 1.00 0.00 C ATOM 1714 CG PHE A 109 5.685 -6.349 2.031 1.00 0.00 C ATOM 1715 CD1 PHE A 109 6.175 -5.054 2.031 1.00 0.00 C ATOM 1716 CD2 PHE A 109 4.320 -6.545 2.170 1.00 0.00 C ATOM 1717 CE1 PHE A 109 5.322 -3.975 2.166 1.00 0.00 C ATOM 1718 CE2 PHE A 109 3.461 -5.470 2.306 1.00 0.00 C ATOM 1719 CZ PHE A 109 3.963 -4.184 2.304 1.00 0.00 C ATOM 0 H PHE A 109 8.138 -9.420 2.186 1.00 0.00 H new ATOM 0 HA PHE A 109 8.540 -6.645 2.287 1.00 0.00 H new ATOM 0 HB2 PHE A 109 6.888 -7.627 0.835 1.00 0.00 H new ATOM 0 HB3 PHE A 109 6.085 -8.430 2.170 1.00 0.00 H new ATOM 0 HD1 PHE A 109 7.236 -4.885 1.924 1.00 0.00 H new ATOM 0 HD2 PHE A 109 3.923 -7.549 2.172 1.00 0.00 H new ATOM 0 HE1 PHE A 109 5.717 -2.970 2.164 1.00 0.00 H new ATOM 0 HE2 PHE A 109 2.399 -5.636 2.414 1.00 0.00 H new ATOM 0 HZ PHE A 109 3.295 -3.342 2.410 1.00 0.00 H new ATOM 1729 N LEU A 110 7.416 -7.978 5.034 1.00 0.00 N ATOM 1730 CA LEU A 110 7.088 -7.719 6.431 1.00 0.00 C ATOM 1731 C LEU A 110 8.154 -6.859 7.103 1.00 0.00 C ATOM 1732 O LEU A 110 7.840 -5.879 7.779 1.00 0.00 O ATOM 1733 CB LEU A 110 6.935 -9.034 7.187 1.00 0.00 C ATOM 1734 CG LEU A 110 5.774 -9.079 8.182 1.00 0.00 C ATOM 1735 CD1 LEU A 110 5.378 -10.518 8.475 1.00 0.00 C ATOM 1736 CD2 LEU A 110 6.146 -8.353 9.467 1.00 0.00 C ATOM 0 H LEU A 110 7.524 -8.966 4.804 1.00 0.00 H new ATOM 0 HA LEU A 110 6.145 -7.173 6.456 1.00 0.00 H new ATOM 0 HB2 LEU A 110 6.804 -9.838 6.463 1.00 0.00 H new ATOM 0 HB3 LEU A 110 7.862 -9.236 7.724 1.00 0.00 H new ATOM 0 HG LEU A 110 4.918 -8.572 7.737 1.00 0.00 H new ATOM 0 HD11 LEU A 110 4.551 -10.530 9.185 1.00 0.00 H new ATOM 0 HD12 LEU A 110 5.070 -11.006 7.550 1.00 0.00 H new ATOM 0 HD13 LEU A 110 6.229 -11.050 8.900 1.00 0.00 H new ATOM 0 HD21 LEU A 110 5.309 -8.395 10.164 1.00 0.00 H new ATOM 0 HD22 LEU A 110 7.016 -8.831 9.916 1.00 0.00 H new ATOM 0 HD23 LEU A 110 6.380 -7.312 9.242 1.00 0.00 H new ATOM 1748 N LEU A 111 9.414 -7.238 6.919 1.00 0.00 N ATOM 1749 CA LEU A 111 10.531 -6.508 7.512 1.00 0.00 C ATOM 1750 C LEU A 111 10.445 -5.017 7.199 1.00 0.00 C ATOM 1751 O LEU A 111 10.526 -4.179 8.096 1.00 0.00 O ATOM 1752 CB LEU A 111 11.860 -7.069 7.006 1.00 0.00 C ATOM 1753 CG LEU A 111 12.150 -8.516 7.414 1.00 0.00 C ATOM 1754 CD1 LEU A 111 11.717 -9.475 6.317 1.00 0.00 C ATOM 1755 CD2 LEU A 111 13.627 -8.696 7.731 1.00 0.00 C ATOM 0 H LEU A 111 9.689 -8.048 6.363 1.00 0.00 H new ATOM 0 HA LEU A 111 10.476 -6.634 8.593 1.00 0.00 H new ATOM 0 HB2 LEU A 111 11.873 -7.005 5.918 1.00 0.00 H new ATOM 0 HB3 LEU A 111 12.668 -6.435 7.373 1.00 0.00 H new ATOM 0 HG LEU A 111 11.577 -8.742 8.313 1.00 0.00 H new ATOM 0 HD11 LEU A 111 11.930 -10.499 6.624 1.00 0.00 H new ATOM 0 HD12 LEU A 111 10.647 -9.365 6.139 1.00 0.00 H new ATOM 0 HD13 LEU A 111 12.262 -9.250 5.401 1.00 0.00 H new ATOM 0 HD21 LEU A 111 13.814 -9.731 8.019 1.00 0.00 H new ATOM 0 HD22 LEU A 111 14.221 -8.452 6.850 1.00 0.00 H new ATOM 0 HD23 LEU A 111 13.906 -8.035 8.551 1.00 0.00 H new ATOM 1767 N THR A 112 10.287 -4.696 5.920 1.00 0.00 N ATOM 1768 CA THR A 112 10.196 -3.305 5.488 1.00 0.00 C ATOM 1769 C THR A 112 8.997 -2.607 6.124 1.00 0.00 C ATOM 1770 O THR A 112 9.089 -1.452 6.540 1.00 0.00 O ATOM 1771 CB THR A 112 10.092 -3.234 3.964 1.00 0.00 C ATOM 1772 OG1 THR A 112 11.205 -3.864 3.355 1.00 0.00 O ATOM 1773 CG2 THR A 112 10.021 -1.817 3.434 1.00 0.00 C ATOM 0 H THR A 112 10.219 -5.378 5.165 1.00 0.00 H new ATOM 0 HA THR A 112 11.101 -2.791 5.813 1.00 0.00 H new ATOM 0 HB THR A 112 9.163 -3.746 3.714 1.00 0.00 H new ATOM 0 HG1 THR A 112 11.119 -3.809 2.380 1.00 0.00 H new ATOM 0 HG21 THR A 112 9.949 -1.838 2.347 1.00 0.00 H new ATOM 0 HG22 THR A 112 9.144 -1.318 3.846 1.00 0.00 H new ATOM 0 HG23 THR A 112 10.919 -1.273 3.727 1.00 0.00 H new ATOM 1781 N ILE A 113 7.872 -3.312 6.190 1.00 0.00 N ATOM 1782 CA ILE A 113 6.650 -2.757 6.768 1.00 0.00 C ATOM 1783 C ILE A 113 6.906 -2.144 8.139 1.00 0.00 C ATOM 1784 O ILE A 113 6.616 -0.968 8.361 1.00 0.00 O ATOM 1785 CB ILE A 113 5.544 -3.831 6.883 1.00 0.00 C ATOM 1786 CG1 ILE A 113 4.764 -3.931 5.571 1.00 0.00 C ATOM 1787 CG2 ILE A 113 4.602 -3.525 8.042 1.00 0.00 C ATOM 1788 CD1 ILE A 113 3.992 -2.675 5.229 1.00 0.00 C ATOM 0 H ILE A 113 7.780 -4.269 5.851 1.00 0.00 H new ATOM 0 HA ILE A 113 6.312 -1.972 6.092 1.00 0.00 H new ATOM 0 HB ILE A 113 6.021 -4.791 7.082 1.00 0.00 H new ATOM 0 HG12 ILE A 113 5.459 -4.153 4.761 1.00 0.00 H new ATOM 0 HG13 ILE A 113 4.070 -4.769 5.634 1.00 0.00 H new ATOM 0 HG21 ILE A 113 3.834 -4.296 8.100 1.00 0.00 H new ATOM 0 HG22 ILE A 113 5.167 -3.505 8.974 1.00 0.00 H new ATOM 0 HG23 ILE A 113 4.131 -2.555 7.882 1.00 0.00 H new ATOM 0 HD11 ILE A 113 3.463 -2.818 4.287 1.00 0.00 H new ATOM 0 HD12 ILE A 113 3.273 -2.463 6.020 1.00 0.00 H new ATOM 0 HD13 ILE A 113 4.683 -1.838 5.134 1.00 0.00 H new ATOM 1800 N LYS A 114 7.452 -2.938 9.056 1.00 0.00 N ATOM 1801 CA LYS A 114 7.745 -2.453 10.397 1.00 0.00 C ATOM 1802 C LYS A 114 8.473 -1.127 10.296 1.00 0.00 C ATOM 1803 O LYS A 114 7.975 -0.091 10.736 1.00 0.00 O ATOM 1804 CB LYS A 114 8.593 -3.470 11.162 1.00 0.00 C ATOM 1805 CG LYS A 114 8.982 -3.013 12.560 1.00 0.00 C ATOM 1806 CD LYS A 114 10.484 -2.788 12.681 1.00 0.00 C ATOM 1807 CE LYS A 114 10.825 -1.308 12.774 1.00 0.00 C ATOM 1808 NZ LYS A 114 11.713 -1.016 13.933 1.00 0.00 N ATOM 0 H LYS A 114 7.699 -3.914 8.894 1.00 0.00 H new ATOM 0 HA LYS A 114 6.812 -2.315 10.943 1.00 0.00 H new ATOM 0 HB2 LYS A 114 8.042 -4.407 11.236 1.00 0.00 H new ATOM 0 HB3 LYS A 114 9.499 -3.677 10.592 1.00 0.00 H new ATOM 0 HG2 LYS A 114 8.455 -2.090 12.801 1.00 0.00 H new ATOM 0 HG3 LYS A 114 8.666 -3.760 13.288 1.00 0.00 H new ATOM 0 HD2 LYS A 114 10.859 -3.304 13.565 1.00 0.00 H new ATOM 0 HD3 LYS A 114 10.988 -3.224 11.819 1.00 0.00 H new ATOM 0 HE2 LYS A 114 11.313 -0.989 11.853 1.00 0.00 H new ATOM 0 HE3 LYS A 114 9.906 -0.729 12.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 12.362 -0.242 13.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 11.135 -0.736 14.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 12.263 -1.866 14.172 1.00 0.00 H new ATOM 1822 N HIS A 115 9.656 -1.173 9.702 1.00 0.00 N ATOM 1823 CA HIS A 115 10.466 0.023 9.521 1.00 0.00 C ATOM 1824 C HIS A 115 9.640 1.148 8.900 1.00 0.00 C ATOM 1825 O HIS A 115 9.860 2.323 9.192 1.00 0.00 O ATOM 1826 CB HIS A 115 11.675 -0.285 8.643 1.00 0.00 C ATOM 1827 CG HIS A 115 12.824 0.651 8.853 1.00 0.00 C ATOM 1828 ND1 HIS A 115 12.888 1.904 8.284 1.00 0.00 N ATOM 1829 CD2 HIS A 115 13.961 0.510 9.576 1.00 0.00 C ATOM 1830 CE1 HIS A 115 14.013 2.495 8.648 1.00 0.00 C ATOM 1831 NE2 HIS A 115 14.681 1.670 9.432 1.00 0.00 N ATOM 0 H HIS A 115 10.077 -2.027 9.336 1.00 0.00 H new ATOM 0 HA HIS A 115 10.814 0.351 10.501 1.00 0.00 H new ATOM 0 HB2 HIS A 115 12.007 -1.304 8.841 1.00 0.00 H new ATOM 0 HB3 HIS A 115 11.373 -0.246 7.597 1.00 0.00 H new ATOM 0 HD2 HIS A 115 14.248 -0.354 10.157 1.00 0.00 H new ATOM 0 HE1 HIS A 115 14.331 3.484 8.354 1.00 0.00 H new ATOM 0 HE2 HIS A 115 15.586 1.863 9.861 1.00 0.00 H new ATOM 1840 N ALA A 116 8.681 0.781 8.051 1.00 0.00 N ATOM 1841 CA ALA A 116 7.822 1.767 7.406 1.00 0.00 C ATOM 1842 C ALA A 116 7.037 2.553 8.449 1.00 0.00 C ATOM 1843 O ALA A 116 6.880 3.770 8.340 1.00 0.00 O ATOM 1844 CB ALA A 116 6.875 1.086 6.429 1.00 0.00 C ATOM 0 H ALA A 116 8.482 -0.186 7.796 1.00 0.00 H new ATOM 0 HA ALA A 116 8.450 2.463 6.851 1.00 0.00 H new ATOM 0 HB1 ALA A 116 6.240 1.835 5.956 1.00 0.00 H new ATOM 0 HB2 ALA A 116 7.453 0.565 5.666 1.00 0.00 H new ATOM 0 HB3 ALA A 116 6.253 0.369 6.965 1.00 0.00 H new ATOM 1850 N PHE A 117 6.547 1.846 9.462 1.00 0.00 N ATOM 1851 CA PHE A 117 5.779 2.463 10.533 1.00 0.00 C ATOM 1852 C PHE A 117 6.691 3.214 11.500 1.00 0.00 C ATOM 1853 O PHE A 117 6.314 4.251 12.045 1.00 0.00 O ATOM 1854 CB PHE A 117 4.990 1.395 11.290 1.00 0.00 C ATOM 1855 CG PHE A 117 3.694 1.026 10.630 1.00 0.00 C ATOM 1856 CD1 PHE A 117 3.643 0.018 9.679 1.00 0.00 C ATOM 1857 CD2 PHE A 117 2.527 1.690 10.961 1.00 0.00 C ATOM 1858 CE1 PHE A 117 2.448 -0.318 9.073 1.00 0.00 C ATOM 1859 CE2 PHE A 117 1.329 1.359 10.359 1.00 0.00 C ATOM 1860 CZ PHE A 117 1.289 0.355 9.414 1.00 0.00 C ATOM 0 H PHE A 117 6.670 0.838 9.562 1.00 0.00 H new ATOM 0 HA PHE A 117 5.088 3.179 10.087 1.00 0.00 H new ATOM 0 HB2 PHE A 117 5.606 0.501 11.388 1.00 0.00 H new ATOM 0 HB3 PHE A 117 4.785 1.753 12.299 1.00 0.00 H new ATOM 0 HD1 PHE A 117 4.546 -0.509 9.410 1.00 0.00 H new ATOM 0 HD2 PHE A 117 2.553 2.477 11.700 1.00 0.00 H new ATOM 0 HE1 PHE A 117 2.419 -1.105 8.334 1.00 0.00 H new ATOM 0 HE2 PHE A 117 0.425 1.885 10.628 1.00 0.00 H new ATOM 0 HZ PHE A 117 0.354 0.095 8.941 1.00 0.00 H new ATOM 1870 N GLU A 118 7.889 2.678 11.712 1.00 0.00 N ATOM 1871 CA GLU A 118 8.853 3.289 12.620 1.00 0.00 C ATOM 1872 C GLU A 118 9.257 4.685 12.154 1.00 0.00 C ATOM 1873 O GLU A 118 8.792 5.688 12.694 1.00 0.00 O ATOM 1874 CB GLU A 118 10.086 2.402 12.752 1.00 0.00 C ATOM 1875 CG GLU A 118 10.297 1.861 14.157 1.00 0.00 C ATOM 1876 CD GLU A 118 9.130 1.020 14.639 1.00 0.00 C ATOM 1877 OE1 GLU A 118 8.330 0.573 13.791 1.00 0.00 O ATOM 1878 OE2 GLU A 118 9.018 0.809 15.864 1.00 0.00 O ATOM 0 H GLU A 118 8.216 1.821 11.266 1.00 0.00 H new ATOM 0 HA GLU A 118 8.375 3.389 13.595 1.00 0.00 H new ATOM 0 HB2 GLU A 118 9.998 1.566 12.059 1.00 0.00 H new ATOM 0 HB3 GLU A 118 10.967 2.971 12.454 1.00 0.00 H new ATOM 0 HG2 GLU A 118 11.206 1.260 14.178 1.00 0.00 H new ATOM 0 HG3 GLU A 118 10.449 2.693 14.844 1.00 0.00 H new