USER MOD reduce.3.24.130724 H: found=0, std=0, add=683, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 684 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 22 TYR OH : rot -16:sc= 1.48 USER MOD Set 1.2: A 102 HIS :FLIP no HD1:sc= -0.579 F(o=0.97,f=1.8) USER MOD Set 1.3: A 105 SER OG : rot -145:sc= 0.853 USER MOD Set 2.1: A 89 HIS : no HD1:sc= 1.05 K(o=2.3,f=-4.5!) USER MOD Set 2.2: A 119 THR OG1 : rot 71:sc= 1.25 USER MOD Set 3.1: A 64 MET CE :methyl -161:sc= -0.013 (180deg=-0.12) USER MOD Set 3.2: A 67 GLN : amide:sc= 1.09 K(o=1.1,f=-0.028) USER MOD Set 4.1: A 28 HIS : no HD1:sc= 0.942 K(o=2.2,f=-4.5!) USER MOD Set 4.2: A 40 SER OG : rot -115:sc= 1.3 USER MOD Single : A 21 LYS NZ :NH3+ -152:sc= 1.22 (180deg=1.08) USER MOD Single : A 29 SER OG : rot 118:sc= 1 USER MOD Single : A 41 LYS NZ :NH3+ 145:sc= 1.84 (180deg=0.821) USER MOD Single : A 47 TYR OH : rot 165:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 HIS : no HD1:sc= -0.919 X(o=-0.92,f=-0.82) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ -151:sc= 0.0792 (180deg=0) USER MOD Single : A 61 SER OG : rot 157:sc= 1.03 USER MOD Single : A 65 GLN : amide:sc= 0.682 K(o=0.68,f=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 CYS SG : rot 140:sc= -0.206 USER MOD Single : A 71 CYS SG : rot 70:sc= -1.25 USER MOD Single : A 73 CYS SG : rot 139:sc= 0.542 USER MOD Single : A 91 TYR OH : rot 30:sc= 0.392 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 100:sc= 0.392 USER MOD Single : A 95 MET CE :methyl -172:sc= 0 (180deg=-0.0815) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 106 THR OG1 : rot 17:sc= 0.106 USER MOD Single : A 108 LYS NZ :NH3+ 143:sc= 1.71 (180deg=-0.471) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 46 N ALA A 4 -7.614 -8.966 15.979 1.00 0.00 N ATOM 47 CA ALA A 4 -6.930 -9.180 14.708 1.00 0.00 C ATOM 48 C ALA A 4 -5.560 -9.851 14.912 1.00 0.00 C ATOM 49 O ALA A 4 -5.103 -10.062 16.037 1.00 0.00 O ATOM 50 CB ALA A 4 -6.792 -7.836 13.973 1.00 0.00 C ATOM 0 HA ALA A 4 -7.524 -9.859 14.097 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -6.281 -7.992 13.023 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -7.782 -7.419 13.789 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -6.215 -7.144 14.586 1.00 0.00 H new ATOM 56 N ASP A 5 -4.882 -10.131 13.801 1.00 0.00 N ATOM 57 CA ASP A 5 -3.493 -10.575 13.715 1.00 0.00 C ATOM 58 C ASP A 5 -2.976 -10.076 12.366 1.00 0.00 C ATOM 59 O ASP A 5 -3.772 -9.927 11.435 1.00 0.00 O ATOM 60 CB ASP A 5 -3.410 -12.105 13.779 1.00 0.00 C ATOM 61 CG ASP A 5 -1.965 -12.582 13.571 1.00 0.00 C ATOM 62 OD1 ASP A 5 -1.206 -12.652 14.563 1.00 0.00 O ATOM 63 OD2 ASP A 5 -1.584 -12.858 12.413 1.00 0.00 O ATOM 0 H ASP A 5 -5.314 -10.049 12.881 1.00 0.00 H new ATOM 0 HA ASP A 5 -2.901 -10.186 14.544 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -3.777 -12.454 14.744 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -4.055 -12.541 13.016 1.00 0.00 H new ATOM 68 N LEU A 6 -1.672 -9.813 12.235 1.00 0.00 N ATOM 69 CA LEU A 6 -1.095 -9.240 11.023 1.00 0.00 C ATOM 70 C LEU A 6 -1.415 -10.062 9.772 1.00 0.00 C ATOM 71 O LEU A 6 -1.609 -9.478 8.704 1.00 0.00 O ATOM 72 CB LEU A 6 0.430 -9.101 11.167 1.00 0.00 C ATOM 73 CG LEU A 6 0.940 -8.166 12.282 1.00 0.00 C ATOM 74 CD1 LEU A 6 2.461 -8.018 12.168 1.00 0.00 C ATOM 75 CD2 LEU A 6 0.303 -6.774 12.222 1.00 0.00 C ATOM 0 H LEU A 6 -0.988 -9.993 12.970 1.00 0.00 H new ATOM 0 HA LEU A 6 -1.549 -8.257 10.898 1.00 0.00 H new ATOM 0 HB2 LEU A 6 0.847 -10.093 11.338 1.00 0.00 H new ATOM 0 HB3 LEU A 6 0.830 -8.747 10.217 1.00 0.00 H new ATOM 0 HG LEU A 6 0.660 -8.619 13.233 1.00 0.00 H new ATOM 0 HD11 LEU A 6 2.822 -7.357 12.956 1.00 0.00 H new ATOM 0 HD12 LEU A 6 2.931 -8.996 12.271 1.00 0.00 H new ATOM 0 HD13 LEU A 6 2.714 -7.595 11.196 1.00 0.00 H new ATOM 0 HD21 LEU A 6 0.698 -6.158 13.030 1.00 0.00 H new ATOM 0 HD22 LEU A 6 0.535 -6.309 11.264 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -0.778 -6.864 12.330 1.00 0.00 H new ATOM 87 N ALA A 7 -1.496 -11.392 9.880 1.00 0.00 N ATOM 88 CA ALA A 7 -1.805 -12.260 8.755 1.00 0.00 C ATOM 89 C ALA A 7 -3.256 -12.101 8.281 1.00 0.00 C ATOM 90 O ALA A 7 -3.550 -12.379 7.118 1.00 0.00 O ATOM 91 CB ALA A 7 -1.534 -13.720 9.135 1.00 0.00 C ATOM 0 H ALA A 7 -1.347 -11.892 10.756 1.00 0.00 H new ATOM 0 HA ALA A 7 -1.159 -11.967 7.927 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -1.767 -14.366 8.288 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -0.484 -13.837 9.402 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -2.158 -13.997 9.985 1.00 0.00 H new ATOM 97 N LEU A 8 -4.165 -11.676 9.167 1.00 0.00 N ATOM 98 CA LEU A 8 -5.584 -11.520 8.854 1.00 0.00 C ATOM 99 C LEU A 8 -5.851 -10.190 8.147 1.00 0.00 C ATOM 100 O LEU A 8 -6.861 -10.077 7.452 1.00 0.00 O ATOM 101 CB LEU A 8 -6.440 -11.605 10.133 1.00 0.00 C ATOM 102 CG LEU A 8 -6.366 -12.952 10.879 1.00 0.00 C ATOM 103 CD1 LEU A 8 -7.176 -12.869 12.178 1.00 0.00 C ATOM 104 CD2 LEU A 8 -6.889 -14.121 10.034 1.00 0.00 C ATOM 0 H LEU A 8 -3.931 -11.430 10.129 1.00 0.00 H new ATOM 0 HA LEU A 8 -5.861 -12.334 8.185 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -6.129 -10.812 10.814 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -7.480 -11.409 9.870 1.00 0.00 H new ATOM 0 HG LEU A 8 -5.314 -13.142 11.094 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -7.121 -13.823 12.702 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -6.767 -12.082 12.812 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -8.216 -12.643 11.944 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -6.814 -15.046 10.606 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -7.931 -13.941 9.769 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -6.294 -14.208 9.125 1.00 0.00 H new ATOM 116 N ILE A 9 -4.981 -9.186 8.314 1.00 0.00 N ATOM 117 CA ILE A 9 -5.133 -7.892 7.650 1.00 0.00 C ATOM 118 C ILE A 9 -4.992 -8.136 6.136 1.00 0.00 C ATOM 119 O ILE A 9 -3.983 -8.730 5.731 1.00 0.00 O ATOM 120 CB ILE A 9 -4.091 -6.861 8.148 1.00 0.00 C ATOM 121 CG1 ILE A 9 -4.072 -6.754 9.691 1.00 0.00 C ATOM 122 CG2 ILE A 9 -4.376 -5.475 7.540 1.00 0.00 C ATOM 123 CD1 ILE A 9 -2.940 -5.880 10.238 1.00 0.00 C ATOM 0 H ILE A 9 -4.157 -9.250 8.911 1.00 0.00 H new ATOM 0 HA ILE A 9 -6.110 -7.468 7.883 1.00 0.00 H new ATOM 0 HB ILE A 9 -3.112 -7.212 7.823 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -5.026 -6.350 10.029 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -3.982 -7.755 10.114 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -3.635 -4.761 7.899 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -4.323 -5.537 6.453 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -5.372 -5.145 7.837 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -2.994 -5.854 11.326 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -1.980 -6.295 9.932 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -3.040 -4.868 9.846 1.00 0.00 H new ATOM 135 N PRO A 10 -5.945 -7.673 5.300 1.00 0.00 N ATOM 136 CA PRO A 10 -5.809 -7.663 3.848 1.00 0.00 C ATOM 137 C PRO A 10 -4.458 -7.095 3.423 1.00 0.00 C ATOM 138 O PRO A 10 -3.990 -6.113 4.004 1.00 0.00 O ATOM 139 CB PRO A 10 -6.952 -6.783 3.338 1.00 0.00 C ATOM 140 CG PRO A 10 -8.033 -6.966 4.398 1.00 0.00 C ATOM 141 CD PRO A 10 -7.216 -7.071 5.683 1.00 0.00 C ATOM 0 HA PRO A 10 -5.857 -8.671 3.437 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -6.648 -5.740 3.249 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -7.296 -7.100 2.353 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -8.724 -6.123 4.423 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -8.629 -7.861 4.221 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -7.064 -6.089 6.131 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -7.730 -7.683 6.424 1.00 0.00 H new ATOM 149 N ASP A 11 -3.829 -7.678 2.405 1.00 0.00 N ATOM 150 CA ASP A 11 -2.449 -7.335 2.067 1.00 0.00 C ATOM 151 C ASP A 11 -2.384 -6.178 1.067 1.00 0.00 C ATOM 152 O ASP A 11 -1.569 -5.264 1.209 1.00 0.00 O ATOM 153 CB ASP A 11 -1.731 -8.581 1.541 1.00 0.00 C ATOM 154 CG ASP A 11 -0.222 -8.427 1.715 1.00 0.00 C ATOM 155 OD1 ASP A 11 0.239 -8.406 2.877 1.00 0.00 O ATOM 156 OD2 ASP A 11 0.513 -8.346 0.709 1.00 0.00 O ATOM 0 H ASP A 11 -4.249 -8.386 1.803 1.00 0.00 H new ATOM 0 HA ASP A 11 -1.940 -6.991 2.967 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -2.079 -9.464 2.077 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -1.970 -8.732 0.488 1.00 0.00 H new ATOM 161 N VAL A 12 -3.331 -6.123 0.127 1.00 0.00 N ATOM 162 CA VAL A 12 -3.414 -5.103 -0.917 1.00 0.00 C ATOM 163 C VAL A 12 -4.893 -4.750 -1.107 1.00 0.00 C ATOM 164 O VAL A 12 -5.745 -5.640 -1.114 1.00 0.00 O ATOM 165 CB VAL A 12 -2.805 -5.638 -2.236 1.00 0.00 C ATOM 166 CG1 VAL A 12 -2.737 -4.540 -3.313 1.00 0.00 C ATOM 167 CG2 VAL A 12 -1.393 -6.211 -2.069 1.00 0.00 C ATOM 0 H VAL A 12 -4.084 -6.809 0.071 1.00 0.00 H new ATOM 0 HA VAL A 12 -2.851 -4.215 -0.631 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.475 -6.441 -2.542 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -2.304 -4.951 -4.225 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -3.742 -4.172 -3.522 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.117 -3.718 -2.956 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -1.029 -6.567 -3.033 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -0.727 -5.434 -1.694 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -1.418 -7.040 -1.362 1.00 0.00 H new ATOM 177 N ASP A 13 -5.194 -3.461 -1.278 1.00 0.00 N ATOM 178 CA ASP A 13 -6.510 -2.974 -1.690 1.00 0.00 C ATOM 179 C ASP A 13 -6.270 -1.647 -2.402 1.00 0.00 C ATOM 180 O ASP A 13 -5.802 -0.688 -1.785 1.00 0.00 O ATOM 181 CB ASP A 13 -7.475 -2.805 -0.505 1.00 0.00 C ATOM 182 CG ASP A 13 -8.887 -2.352 -0.937 1.00 0.00 C ATOM 183 OD1 ASP A 13 -9.134 -2.089 -2.136 1.00 0.00 O ATOM 184 OD2 ASP A 13 -9.785 -2.316 -0.064 1.00 0.00 O ATOM 0 H ASP A 13 -4.516 -2.713 -1.131 1.00 0.00 H new ATOM 0 HA ASP A 13 -6.991 -3.699 -2.346 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -7.551 -3.750 0.032 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -7.062 -2.075 0.191 1.00 0.00 H new ATOM 189 N ILE A 14 -6.500 -1.629 -3.715 1.00 0.00 N ATOM 190 CA ILE A 14 -6.206 -0.506 -4.599 1.00 0.00 C ATOM 191 C ILE A 14 -7.367 -0.316 -5.588 1.00 0.00 C ATOM 192 O ILE A 14 -7.160 -0.123 -6.786 1.00 0.00 O ATOM 193 CB ILE A 14 -4.810 -0.657 -5.263 1.00 0.00 C ATOM 194 CG1 ILE A 14 -4.636 -1.995 -6.023 1.00 0.00 C ATOM 195 CG2 ILE A 14 -3.693 -0.468 -4.219 1.00 0.00 C ATOM 196 CD1 ILE A 14 -3.332 -2.084 -6.828 1.00 0.00 C ATOM 0 H ILE A 14 -6.910 -2.423 -4.207 1.00 0.00 H new ATOM 0 HA ILE A 14 -6.134 0.416 -4.022 1.00 0.00 H new ATOM 0 HB ILE A 14 -4.735 0.130 -6.014 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -4.667 -2.816 -5.307 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -5.480 -2.131 -6.699 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -2.722 -0.577 -4.702 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -3.770 0.526 -3.780 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -3.796 -1.220 -3.436 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -3.281 -3.049 -7.333 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -3.307 -1.285 -7.569 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -2.481 -1.981 -6.155 1.00 0.00 H new ATOM 266 N PHE A 20 -3.601 7.073 -9.740 1.00 0.00 N ATOM 267 CA PHE A 20 -3.998 7.400 -8.372 1.00 0.00 C ATOM 268 C PHE A 20 -2.795 7.193 -7.448 1.00 0.00 C ATOM 269 O PHE A 20 -1.890 6.416 -7.769 1.00 0.00 O ATOM 270 CB PHE A 20 -5.220 6.589 -7.911 1.00 0.00 C ATOM 271 CG PHE A 20 -5.105 5.079 -8.020 1.00 0.00 C ATOM 272 CD1 PHE A 20 -4.539 4.333 -6.970 1.00 0.00 C ATOM 273 CD2 PHE A 20 -5.583 4.414 -9.165 1.00 0.00 C ATOM 274 CE1 PHE A 20 -4.448 2.935 -7.063 1.00 0.00 C ATOM 275 CE2 PHE A 20 -5.485 3.015 -9.263 1.00 0.00 C ATOM 276 CZ PHE A 20 -4.921 2.273 -8.210 1.00 0.00 C ATOM 0 HA PHE A 20 -4.307 8.444 -8.334 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -5.426 6.842 -6.871 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -6.083 6.909 -8.494 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -4.173 4.838 -6.088 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -6.026 4.980 -9.971 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -4.014 2.368 -6.253 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -5.843 2.510 -10.148 1.00 0.00 H new ATOM 0 HZ PHE A 20 -4.851 1.198 -8.282 1.00 0.00 H new ATOM 286 N LYS A 21 -2.759 7.911 -6.319 1.00 0.00 N ATOM 287 CA LYS A 21 -1.670 7.819 -5.351 1.00 0.00 C ATOM 288 C LYS A 21 -1.877 6.582 -4.482 1.00 0.00 C ATOM 289 O LYS A 21 -3.008 6.126 -4.294 1.00 0.00 O ATOM 290 CB LYS A 21 -1.604 9.079 -4.469 1.00 0.00 C ATOM 291 CG LYS A 21 -0.921 10.296 -5.118 1.00 0.00 C ATOM 292 CD LYS A 21 -1.733 10.969 -6.238 1.00 0.00 C ATOM 293 CE LYS A 21 -1.028 12.200 -6.834 1.00 0.00 C ATOM 294 NZ LYS A 21 -0.861 13.311 -5.862 1.00 0.00 N ATOM 0 H LYS A 21 -3.489 8.573 -6.054 1.00 0.00 H new ATOM 0 HA LYS A 21 -0.726 7.739 -5.890 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -2.619 9.359 -4.187 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -1.074 8.832 -3.549 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -0.714 11.035 -4.344 1.00 0.00 H new ATOM 0 HG3 LYS A 21 0.041 9.982 -5.524 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -1.919 10.244 -7.031 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -2.705 11.268 -5.845 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -0.048 11.903 -7.207 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -1.600 12.558 -7.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -0.840 14.218 -6.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -1.657 13.309 -5.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 0.030 13.186 -5.341 1.00 0.00 H new ATOM 308 N TYR A 22 -0.793 6.067 -3.911 1.00 0.00 N ATOM 309 CA TYR A 22 -0.789 4.936 -3.000 1.00 0.00 C ATOM 310 C TYR A 22 0.290 5.182 -1.930 1.00 0.00 C ATOM 311 O TYR A 22 1.181 6.014 -2.123 1.00 0.00 O ATOM 312 CB TYR A 22 -0.592 3.625 -3.797 1.00 0.00 C ATOM 313 CG TYR A 22 0.792 3.041 -3.667 1.00 0.00 C ATOM 314 CD1 TYR A 22 1.847 3.564 -4.429 1.00 0.00 C ATOM 315 CD2 TYR A 22 1.043 2.094 -2.659 1.00 0.00 C ATOM 316 CE1 TYR A 22 3.168 3.207 -4.126 1.00 0.00 C ATOM 317 CE2 TYR A 22 2.359 1.727 -2.350 1.00 0.00 C ATOM 318 CZ TYR A 22 3.426 2.313 -3.064 1.00 0.00 C ATOM 319 OH TYR A 22 4.708 2.039 -2.718 1.00 0.00 O ATOM 0 H TYR A 22 0.140 6.443 -4.079 1.00 0.00 H new ATOM 0 HA TYR A 22 -1.743 4.831 -2.483 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -1.321 2.890 -3.456 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -0.799 3.815 -4.850 1.00 0.00 H new ATOM 0 HD1 TYR A 22 1.642 4.239 -5.246 1.00 0.00 H new ATOM 0 HD2 TYR A 22 0.219 1.648 -2.121 1.00 0.00 H new ATOM 0 HE1 TYR A 22 3.985 3.614 -4.703 1.00 0.00 H new ATOM 0 HE2 TYR A 22 2.555 1.003 -1.573 1.00 0.00 H new ATOM 0 HH TYR A 22 5.309 2.322 -3.438 1.00 0.00 H new ATOM 329 N VAL A 23 0.239 4.445 -0.820 1.00 0.00 N ATOM 330 CA VAL A 23 1.269 4.440 0.213 1.00 0.00 C ATOM 331 C VAL A 23 1.602 3.002 0.596 1.00 0.00 C ATOM 332 O VAL A 23 0.754 2.103 0.531 1.00 0.00 O ATOM 333 CB VAL A 23 0.860 5.279 1.444 1.00 0.00 C ATOM 334 CG1 VAL A 23 0.886 6.781 1.134 1.00 0.00 C ATOM 335 CG2 VAL A 23 -0.512 4.877 2.008 1.00 0.00 C ATOM 0 H VAL A 23 -0.540 3.820 -0.612 1.00 0.00 H new ATOM 0 HA VAL A 23 2.164 4.912 -0.191 1.00 0.00 H new ATOM 0 HB VAL A 23 1.603 5.067 2.213 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.593 7.341 2.022 1.00 0.00 H new ATOM 0 HG12 VAL A 23 1.893 7.074 0.836 1.00 0.00 H new ATOM 0 HG13 VAL A 23 0.191 6.997 0.323 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.747 5.500 2.871 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -1.275 5.016 1.242 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -0.488 3.830 2.311 1.00 0.00 H new ATOM 345 N LEU A 24 2.852 2.811 1.020 1.00 0.00 N ATOM 346 CA LEU A 24 3.369 1.554 1.528 1.00 0.00 C ATOM 347 C LEU A 24 3.405 1.749 3.033 1.00 0.00 C ATOM 348 O LEU A 24 4.114 2.643 3.502 1.00 0.00 O ATOM 349 CB LEU A 24 4.785 1.323 0.959 1.00 0.00 C ATOM 350 CG LEU A 24 5.309 -0.125 0.992 1.00 0.00 C ATOM 351 CD1 LEU A 24 5.235 -0.777 2.376 1.00 0.00 C ATOM 352 CD2 LEU A 24 4.553 -0.988 -0.019 1.00 0.00 C ATOM 0 H LEU A 24 3.549 3.555 1.016 1.00 0.00 H new ATOM 0 HA LEU A 24 2.769 0.688 1.248 1.00 0.00 H new ATOM 0 HB2 LEU A 24 4.798 1.667 -0.075 1.00 0.00 H new ATOM 0 HB3 LEU A 24 5.482 1.951 1.513 1.00 0.00 H new ATOM 0 HG LEU A 24 6.365 -0.065 0.728 1.00 0.00 H new ATOM 0 HD11 LEU A 24 5.621 -1.795 2.320 1.00 0.00 H new ATOM 0 HD12 LEU A 24 5.833 -0.201 3.082 1.00 0.00 H new ATOM 0 HD13 LEU A 24 4.198 -0.800 2.712 1.00 0.00 H new ATOM 0 HD21 LEU A 24 4.935 -2.008 0.016 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.491 -0.989 0.226 1.00 0.00 H new ATOM 0 HD23 LEU A 24 4.694 -0.582 -1.021 1.00 0.00 H new ATOM 364 N ILE A 25 2.642 0.970 3.794 1.00 0.00 N ATOM 365 CA ILE A 25 2.529 1.152 5.235 1.00 0.00 C ATOM 366 C ILE A 25 3.031 -0.122 5.893 1.00 0.00 C ATOM 367 O ILE A 25 2.550 -1.217 5.602 1.00 0.00 O ATOM 368 CB ILE A 25 1.088 1.557 5.631 1.00 0.00 C ATOM 369 CG1 ILE A 25 0.793 2.990 5.130 1.00 0.00 C ATOM 370 CG2 ILE A 25 0.875 1.473 7.154 1.00 0.00 C ATOM 371 CD1 ILE A 25 -0.655 3.443 5.352 1.00 0.00 C ATOM 0 H ILE A 25 2.086 0.197 3.429 1.00 0.00 H new ATOM 0 HA ILE A 25 3.145 1.979 5.589 1.00 0.00 H new ATOM 0 HB ILE A 25 0.398 0.856 5.161 1.00 0.00 H new ATOM 0 HG12 ILE A 25 1.462 3.686 5.636 1.00 0.00 H new ATOM 0 HG13 ILE A 25 1.021 3.046 4.066 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -0.147 1.764 7.395 1.00 0.00 H new ATOM 0 HG22 ILE A 25 1.050 0.451 7.490 1.00 0.00 H new ATOM 0 HG23 ILE A 25 1.572 2.144 7.656 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -0.781 4.458 4.974 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -1.331 2.772 4.823 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -0.884 3.422 6.418 1.00 0.00 H new ATOM 383 N ARG A 26 4.034 0.030 6.753 1.00 0.00 N ATOM 384 CA ARG A 26 4.494 -1.019 7.641 1.00 0.00 C ATOM 385 C ARG A 26 3.521 -1.057 8.811 1.00 0.00 C ATOM 386 O ARG A 26 3.009 -0.015 9.221 1.00 0.00 O ATOM 387 CB ARG A 26 5.925 -0.704 8.099 1.00 0.00 C ATOM 388 CG ARG A 26 6.548 -1.873 8.880 1.00 0.00 C ATOM 389 CD ARG A 26 8.082 -1.836 8.907 1.00 0.00 C ATOM 390 NE ARG A 26 8.637 -0.591 9.476 1.00 0.00 N ATOM 391 CZ ARG A 26 9.940 -0.372 9.710 1.00 0.00 C ATOM 392 NH1 ARG A 26 10.835 -1.340 9.524 1.00 0.00 N ATOM 393 NH2 ARG A 26 10.348 0.818 10.130 1.00 0.00 N ATOM 0 H ARG A 26 4.555 0.902 6.850 1.00 0.00 H new ATOM 0 HA ARG A 26 4.520 -1.993 7.152 1.00 0.00 H new ATOM 0 HB2 ARG A 26 6.543 -0.478 7.230 1.00 0.00 H new ATOM 0 HB3 ARG A 26 5.918 0.188 8.725 1.00 0.00 H new ATOM 0 HG2 ARG A 26 6.173 -1.858 9.903 1.00 0.00 H new ATOM 0 HG3 ARG A 26 6.222 -2.813 8.435 1.00 0.00 H new ATOM 0 HD2 ARG A 26 8.447 -2.684 9.487 1.00 0.00 H new ATOM 0 HD3 ARG A 26 8.457 -1.959 7.891 1.00 0.00 H new ATOM 0 HE ARG A 26 7.983 0.156 9.708 1.00 0.00 H new ATOM 0 HH11 ARG A 26 10.533 -2.259 9.201 1.00 0.00 H new ATOM 0 HH12 ARG A 26 11.823 -1.163 9.705 1.00 0.00 H new ATOM 0 HH21 ARG A 26 9.671 1.567 10.275 1.00 0.00 H new ATOM 0 HH22 ARG A 26 11.339 0.984 10.308 1.00 0.00 H new ATOM 407 N VAL A 27 3.308 -2.241 9.359 1.00 0.00 N ATOM 408 CA VAL A 27 2.367 -2.555 10.416 1.00 0.00 C ATOM 409 C VAL A 27 3.161 -3.417 11.402 1.00 0.00 C ATOM 410 O VAL A 27 3.998 -4.215 10.974 1.00 0.00 O ATOM 411 CB VAL A 27 1.163 -3.331 9.826 1.00 0.00 C ATOM 412 CG1 VAL A 27 0.014 -3.415 10.838 1.00 0.00 C ATOM 413 CG2 VAL A 27 0.599 -2.741 8.518 1.00 0.00 C ATOM 0 H VAL A 27 3.826 -3.065 9.054 1.00 0.00 H new ATOM 0 HA VAL A 27 1.959 -1.670 10.903 1.00 0.00 H new ATOM 0 HB VAL A 27 1.565 -4.318 9.597 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.818 -3.965 10.399 1.00 0.00 H new ATOM 0 HG12 VAL A 27 0.356 -3.931 11.735 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.314 -2.409 11.101 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.240 -3.347 8.177 1.00 0.00 H new ATOM 0 HG22 VAL A 27 0.261 -1.720 8.695 1.00 0.00 H new ATOM 0 HG23 VAL A 27 1.377 -2.738 7.755 1.00 0.00 H new ATOM 423 N HIS A 28 2.899 -3.290 12.700 1.00 0.00 N ATOM 424 CA HIS A 28 3.579 -4.028 13.758 1.00 0.00 C ATOM 425 C HIS A 28 2.516 -4.634 14.674 1.00 0.00 C ATOM 426 O HIS A 28 1.430 -4.059 14.824 1.00 0.00 O ATOM 427 CB HIS A 28 4.480 -3.081 14.563 1.00 0.00 C ATOM 428 CG HIS A 28 5.445 -2.280 13.723 1.00 0.00 C ATOM 429 ND1 HIS A 28 6.607 -2.742 13.154 1.00 0.00 N ATOM 430 CD2 HIS A 28 5.323 -0.961 13.374 1.00 0.00 C ATOM 431 CE1 HIS A 28 7.184 -1.723 12.498 1.00 0.00 C ATOM 432 NE2 HIS A 28 6.435 -0.609 12.595 1.00 0.00 N ATOM 0 H HIS A 28 2.187 -2.652 13.054 1.00 0.00 H new ATOM 0 HA HIS A 28 4.200 -4.813 13.328 1.00 0.00 H new ATOM 0 HB2 HIS A 28 3.851 -2.393 15.129 1.00 0.00 H new ATOM 0 HB3 HIS A 28 5.046 -3.666 15.288 1.00 0.00 H new ATOM 0 HD2 HIS A 28 4.511 -0.305 13.651 1.00 0.00 H new ATOM 0 HE1 HIS A 28 8.121 -1.788 11.965 1.00 0.00 H new ATOM 0 HE2 HIS A 28 6.635 0.304 12.186 1.00 0.00 H new ATOM 440 N SER A 29 2.819 -5.778 15.291 1.00 0.00 N ATOM 441 CA SER A 29 1.913 -6.492 16.177 1.00 0.00 C ATOM 442 C SER A 29 1.518 -5.642 17.393 1.00 0.00 C ATOM 443 O SER A 29 2.269 -5.525 18.364 1.00 0.00 O ATOM 444 CB SER A 29 2.546 -7.803 16.644 1.00 0.00 C ATOM 445 OG SER A 29 3.018 -8.585 15.565 1.00 0.00 O ATOM 0 H SER A 29 3.722 -6.239 15.183 1.00 0.00 H new ATOM 0 HA SER A 29 1.008 -6.709 15.610 1.00 0.00 H new ATOM 0 HB2 SER A 29 3.372 -7.584 17.320 1.00 0.00 H new ATOM 0 HB3 SER A 29 1.813 -8.376 17.212 1.00 0.00 H new ATOM 0 HG SER A 29 3.988 -8.700 15.644 1.00 0.00 H new ATOM 451 N ALA A 30 0.321 -5.061 17.331 1.00 0.00 N ATOM 452 CA ALA A 30 -0.361 -4.401 18.432 1.00 0.00 C ATOM 453 C ALA A 30 -1.904 -4.584 18.417 1.00 0.00 C ATOM 454 O ALA A 30 -2.554 -3.781 19.091 1.00 0.00 O ATOM 455 CB ALA A 30 0.056 -2.920 18.449 1.00 0.00 C ATOM 0 H ALA A 30 -0.222 -5.039 16.468 1.00 0.00 H new ATOM 0 HA ALA A 30 -0.051 -4.881 19.360 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -0.447 -2.410 19.270 1.00 0.00 H new ATOM 0 HB2 ALA A 30 1.135 -2.847 18.584 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -0.224 -2.452 17.505 1.00 0.00 H new ATOM 461 N PRO A 31 -2.545 -5.554 17.701 1.00 0.00 N ATOM 462 CA PRO A 31 -3.996 -5.737 17.748 1.00 0.00 C ATOM 463 C PRO A 31 -4.610 -5.573 19.142 1.00 0.00 C ATOM 464 O PRO A 31 -4.132 -6.134 20.133 1.00 0.00 O ATOM 465 CB PRO A 31 -4.288 -7.113 17.163 1.00 0.00 C ATOM 466 CG PRO A 31 -3.192 -7.273 16.124 1.00 0.00 C ATOM 467 CD PRO A 31 -2.013 -6.515 16.730 1.00 0.00 C ATOM 0 HA PRO A 31 -4.467 -4.945 17.165 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -4.243 -7.894 17.922 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -5.281 -7.160 16.715 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -2.950 -8.322 15.954 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -3.487 -6.854 15.162 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -1.324 -7.206 17.216 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -1.451 -5.999 15.952 1.00 0.00 H new ATOM 561 N GLU A 39 5.982 -8.818 15.910 1.00 0.00 N ATOM 562 CA GLU A 39 6.513 -8.925 14.555 1.00 0.00 C ATOM 563 C GLU A 39 5.915 -7.798 13.700 1.00 0.00 C ATOM 564 O GLU A 39 5.255 -6.898 14.231 1.00 0.00 O ATOM 565 CB GLU A 39 6.275 -10.343 13.993 1.00 0.00 C ATOM 566 CG GLU A 39 4.826 -10.842 14.060 1.00 0.00 C ATOM 567 CD GLU A 39 4.683 -12.232 13.415 1.00 0.00 C ATOM 568 OE1 GLU A 39 4.843 -13.256 14.118 1.00 0.00 O ATOM 569 OE2 GLU A 39 4.402 -12.321 12.198 1.00 0.00 O ATOM 0 HA GLU A 39 7.595 -8.792 14.546 1.00 0.00 H new ATOM 0 HB2 GLU A 39 6.601 -10.363 12.953 1.00 0.00 H new ATOM 0 HB3 GLU A 39 6.908 -11.043 14.539 1.00 0.00 H new ATOM 0 HG2 GLU A 39 4.502 -10.886 15.100 1.00 0.00 H new ATOM 0 HG3 GLU A 39 4.171 -10.134 13.552 1.00 0.00 H new ATOM 576 N SER A 40 6.177 -7.815 12.390 1.00 0.00 N ATOM 577 CA SER A 40 5.797 -6.748 11.474 1.00 0.00 C ATOM 578 C SER A 40 5.366 -7.327 10.120 1.00 0.00 C ATOM 579 O SER A 40 5.695 -8.467 9.779 1.00 0.00 O ATOM 580 CB SER A 40 6.958 -5.757 11.300 1.00 0.00 C ATOM 581 OG SER A 40 7.555 -5.377 12.533 1.00 0.00 O ATOM 0 H SER A 40 6.667 -8.585 11.934 1.00 0.00 H new ATOM 0 HA SER A 40 4.948 -6.212 11.897 1.00 0.00 H new ATOM 0 HB2 SER A 40 7.717 -6.204 10.658 1.00 0.00 H new ATOM 0 HB3 SER A 40 6.594 -4.866 10.789 1.00 0.00 H new ATOM 0 HG SER A 40 7.414 -4.419 12.683 1.00 0.00 H new ATOM 587 N LYS A 41 4.607 -6.534 9.364 1.00 0.00 N ATOM 588 CA LYS A 41 3.968 -6.860 8.089 1.00 0.00 C ATOM 589 C LYS A 41 3.869 -5.544 7.313 1.00 0.00 C ATOM 590 O LYS A 41 4.032 -4.477 7.902 1.00 0.00 O ATOM 591 CB LYS A 41 2.600 -7.499 8.413 1.00 0.00 C ATOM 592 CG LYS A 41 1.694 -7.918 7.238 1.00 0.00 C ATOM 593 CD LYS A 41 0.457 -7.008 7.131 1.00 0.00 C ATOM 594 CE LYS A 41 -0.497 -7.346 5.971 1.00 0.00 C ATOM 595 NZ LYS A 41 -1.072 -8.713 6.041 1.00 0.00 N ATOM 0 H LYS A 41 4.408 -5.575 9.648 1.00 0.00 H new ATOM 0 HA LYS A 41 4.517 -7.574 7.475 1.00 0.00 H new ATOM 0 HB2 LYS A 41 2.782 -8.383 9.024 1.00 0.00 H new ATOM 0 HB3 LYS A 41 2.041 -6.795 9.029 1.00 0.00 H new ATOM 0 HG2 LYS A 41 2.260 -7.876 6.307 1.00 0.00 H new ATOM 0 HG3 LYS A 41 1.376 -8.952 7.372 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -0.099 -7.063 8.067 1.00 0.00 H new ATOM 0 HD3 LYS A 41 0.791 -5.977 7.019 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -1.311 -6.621 5.960 1.00 0.00 H new ATOM 0 HE3 LYS A 41 0.040 -7.237 5.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -2.046 -8.699 5.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -0.497 -9.361 5.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -1.076 -9.038 7.029 1.00 0.00 H new ATOM 609 N GLU A 42 3.589 -5.574 6.013 1.00 0.00 N ATOM 610 CA GLU A 42 3.415 -4.365 5.215 1.00 0.00 C ATOM 611 C GLU A 42 2.128 -4.500 4.406 1.00 0.00 C ATOM 612 O GLU A 42 1.722 -5.619 4.082 1.00 0.00 O ATOM 613 CB GLU A 42 4.617 -4.128 4.282 1.00 0.00 C ATOM 614 CG GLU A 42 5.969 -3.884 4.974 1.00 0.00 C ATOM 615 CD GLU A 42 6.649 -5.162 5.511 1.00 0.00 C ATOM 616 OE1 GLU A 42 6.752 -6.169 4.773 1.00 0.00 O ATOM 617 OE2 GLU A 42 7.139 -5.151 6.662 1.00 0.00 O ATOM 0 H GLU A 42 3.476 -6.438 5.483 1.00 0.00 H new ATOM 0 HA GLU A 42 3.351 -3.504 5.880 1.00 0.00 H new ATOM 0 HB2 GLU A 42 4.718 -4.992 3.625 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.396 -3.270 3.648 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.642 -3.398 4.268 1.00 0.00 H new ATOM 0 HG3 GLU A 42 5.820 -3.191 5.802 1.00 0.00 H new ATOM 624 N ILE A 43 1.519 -3.372 4.044 1.00 0.00 N ATOM 625 CA ILE A 43 0.306 -3.291 3.242 1.00 0.00 C ATOM 626 C ILE A 43 0.467 -2.210 2.172 1.00 0.00 C ATOM 627 O ILE A 43 1.246 -1.265 2.330 1.00 0.00 O ATOM 628 CB ILE A 43 -0.950 -3.040 4.117 1.00 0.00 C ATOM 629 CG1 ILE A 43 -0.870 -1.757 4.975 1.00 0.00 C ATOM 630 CG2 ILE A 43 -1.249 -4.276 4.975 1.00 0.00 C ATOM 631 CD1 ILE A 43 -2.151 -1.434 5.758 1.00 0.00 C ATOM 0 H ILE A 43 1.874 -2.455 4.314 1.00 0.00 H new ATOM 0 HA ILE A 43 0.154 -4.252 2.751 1.00 0.00 H new ATOM 0 HB ILE A 43 -1.780 -2.869 3.432 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -0.044 -1.857 5.679 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -0.634 -0.914 4.325 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -2.132 -4.090 5.586 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -1.430 -5.134 4.327 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.397 -4.484 5.623 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -2.006 -0.519 6.332 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -2.979 -1.298 5.062 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -2.379 -2.255 6.437 1.00 0.00 H new ATOM 643 N VAL A 44 -0.309 -2.354 1.099 1.00 0.00 N ATOM 644 CA VAL A 44 -0.379 -1.433 -0.028 1.00 0.00 C ATOM 645 C VAL A 44 -1.823 -0.935 -0.057 1.00 0.00 C ATOM 646 O VAL A 44 -2.742 -1.751 -0.195 1.00 0.00 O ATOM 647 CB VAL A 44 0.006 -2.205 -1.312 1.00 0.00 C ATOM 648 CG1 VAL A 44 -0.252 -1.432 -2.613 1.00 0.00 C ATOM 649 CG2 VAL A 44 1.483 -2.620 -1.309 1.00 0.00 C ATOM 0 H VAL A 44 -0.933 -3.153 0.989 1.00 0.00 H new ATOM 0 HA VAL A 44 0.303 -0.586 0.052 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.645 -3.079 -1.294 1.00 0.00 H new ATOM 0 HG11 VAL A 44 0.045 -2.044 -3.465 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -1.313 -1.193 -2.690 1.00 0.00 H new ATOM 0 HG13 VAL A 44 0.328 -0.509 -2.609 1.00 0.00 H new ATOM 0 HG21 VAL A 44 1.711 -3.159 -2.228 1.00 0.00 H new ATOM 0 HG22 VAL A 44 2.111 -1.731 -1.244 1.00 0.00 H new ATOM 0 HG23 VAL A 44 1.678 -3.265 -0.452 1.00 0.00 H new ATOM 659 N ARG A 45 -2.032 0.379 0.071 1.00 0.00 N ATOM 660 CA ARG A 45 -3.338 1.025 -0.093 1.00 0.00 C ATOM 661 C ARG A 45 -3.155 2.197 -1.042 1.00 0.00 C ATOM 662 O ARG A 45 -2.115 2.853 -0.986 1.00 0.00 O ATOM 663 CB ARG A 45 -3.887 1.567 1.244 1.00 0.00 C ATOM 664 CG ARG A 45 -4.300 0.533 2.302 1.00 0.00 C ATOM 665 CD ARG A 45 -5.351 -0.478 1.829 1.00 0.00 C ATOM 666 NE ARG A 45 -4.757 -1.813 1.708 1.00 0.00 N ATOM 667 CZ ARG A 45 -4.781 -2.790 2.617 1.00 0.00 C ATOM 668 NH1 ARG A 45 -5.529 -2.705 3.714 1.00 0.00 N ATOM 669 NH2 ARG A 45 -4.019 -3.855 2.425 1.00 0.00 N ATOM 0 H ARG A 45 -1.284 1.036 0.296 1.00 0.00 H new ATOM 0 HA ARG A 45 -4.046 0.289 -0.474 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -3.129 2.215 1.683 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -4.753 2.192 1.026 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -3.412 -0.010 2.626 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -4.688 1.060 3.174 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -6.182 -0.505 2.534 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -5.759 -0.166 0.868 1.00 0.00 H new ATOM 0 HE ARG A 45 -4.273 -2.017 0.834 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -6.103 -1.878 3.877 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -5.528 -3.467 4.392 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -3.429 -3.917 1.595 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -4.022 -4.614 3.107 1.00 0.00 H new ATOM 683 N GLY A 46 -4.152 2.508 -1.863 1.00 0.00 N ATOM 684 CA GLY A 46 -4.126 3.680 -2.723 1.00 0.00 C ATOM 685 C GLY A 46 -5.402 3.771 -3.529 1.00 0.00 C ATOM 686 O GLY A 46 -5.911 2.744 -3.976 1.00 0.00 O ATOM 0 H GLY A 46 -5.002 1.951 -1.949 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -4.005 4.579 -2.119 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -3.268 3.628 -3.393 1.00 0.00 H new ATOM 690 N TYR A 47 -5.925 4.986 -3.699 1.00 0.00 N ATOM 691 CA TYR A 47 -7.248 5.191 -4.269 1.00 0.00 C ATOM 692 C TYR A 47 -7.332 6.572 -4.902 1.00 0.00 C ATOM 693 O TYR A 47 -6.638 7.498 -4.477 1.00 0.00 O ATOM 694 CB TYR A 47 -8.329 5.103 -3.179 1.00 0.00 C ATOM 695 CG TYR A 47 -8.248 3.910 -2.245 1.00 0.00 C ATOM 696 CD1 TYR A 47 -7.485 4.011 -1.066 1.00 0.00 C ATOM 697 CD2 TYR A 47 -8.945 2.721 -2.534 1.00 0.00 C ATOM 698 CE1 TYR A 47 -7.462 2.951 -0.144 1.00 0.00 C ATOM 699 CE2 TYR A 47 -8.912 1.649 -1.625 1.00 0.00 C ATOM 700 CZ TYR A 47 -8.190 1.769 -0.415 1.00 0.00 C ATOM 701 OH TYR A 47 -8.239 0.762 0.501 1.00 0.00 O ATOM 0 H TYR A 47 -5.443 5.848 -3.446 1.00 0.00 H new ATOM 0 HA TYR A 47 -7.413 4.416 -5.017 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -8.283 6.011 -2.578 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -9.305 5.091 -3.665 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -6.915 4.907 -0.870 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -9.505 2.633 -3.453 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -6.891 3.038 0.768 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -9.438 0.733 -1.851 1.00 0.00 H new ATOM 0 HH TYR A 47 -8.961 0.142 0.267 1.00 0.00 H new ATOM 711 N LYS A 48 -8.247 6.729 -5.861 1.00 0.00 N ATOM 712 CA LYS A 48 -8.564 8.005 -6.499 1.00 0.00 C ATOM 713 C LYS A 48 -8.898 9.091 -5.475 1.00 0.00 C ATOM 714 O LYS A 48 -8.499 10.238 -5.672 1.00 0.00 O ATOM 715 CB LYS A 48 -9.744 7.812 -7.479 1.00 0.00 C ATOM 716 CG LYS A 48 -9.334 7.732 -8.958 1.00 0.00 C ATOM 717 CD LYS A 48 -8.807 9.080 -9.482 1.00 0.00 C ATOM 718 CE LYS A 48 -8.855 9.186 -11.013 1.00 0.00 C ATOM 719 NZ LYS A 48 -7.926 8.255 -11.693 1.00 0.00 N ATOM 0 H LYS A 48 -8.801 5.952 -6.223 1.00 0.00 H new ATOM 0 HA LYS A 48 -7.681 8.338 -7.044 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -10.276 6.899 -7.212 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -10.444 8.638 -7.353 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -8.565 6.969 -9.081 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -10.191 7.420 -9.556 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -9.396 9.888 -9.048 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.780 9.218 -9.145 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -9.871 8.987 -11.353 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -8.615 10.208 -11.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -8.006 8.375 -12.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -6.951 8.459 -11.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -8.168 7.276 -11.439 1.00 0.00 H new ATOM 733 N TRP A 49 -9.627 8.756 -4.402 1.00 0.00 N ATOM 734 CA TRP A 49 -10.056 9.752 -3.424 1.00 0.00 C ATOM 735 C TRP A 49 -8.881 10.347 -2.638 1.00 0.00 C ATOM 736 O TRP A 49 -8.969 11.504 -2.219 1.00 0.00 O ATOM 737 CB TRP A 49 -11.168 9.202 -2.514 1.00 0.00 C ATOM 738 CG TRP A 49 -11.016 7.829 -1.918 1.00 0.00 C ATOM 739 CD1 TRP A 49 -11.721 6.737 -2.296 1.00 0.00 C ATOM 740 CD2 TRP A 49 -10.188 7.383 -0.797 1.00 0.00 C ATOM 741 NE1 TRP A 49 -11.402 5.665 -1.489 1.00 0.00 N ATOM 742 CE2 TRP A 49 -10.468 6.007 -0.535 1.00 0.00 C ATOM 743 CE3 TRP A 49 -9.233 7.999 0.036 1.00 0.00 C ATOM 744 CZ2 TRP A 49 -9.839 5.292 0.498 1.00 0.00 C ATOM 745 CZ3 TRP A 49 -8.548 7.276 1.029 1.00 0.00 C ATOM 746 CH2 TRP A 49 -8.842 5.922 1.261 1.00 0.00 C ATOM 0 H TRP A 49 -9.929 7.804 -4.194 1.00 0.00 H new ATOM 0 HA TRP A 49 -10.487 10.585 -3.979 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -11.296 9.905 -1.691 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -12.095 9.210 -3.087 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -12.430 6.709 -3.110 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -11.807 4.734 -1.586 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -9.022 9.051 -0.091 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -10.119 4.269 0.703 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -7.788 7.767 1.619 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -8.306 5.370 2.019 1.00 0.00 H new ATOM 757 N ALA A 50 -7.775 9.614 -2.458 1.00 0.00 N ATOM 758 CA ALA A 50 -6.570 10.150 -1.845 1.00 0.00 C ATOM 759 C ALA A 50 -5.761 10.893 -2.907 1.00 0.00 C ATOM 760 O ALA A 50 -4.805 10.364 -3.472 1.00 0.00 O ATOM 761 CB ALA A 50 -5.767 9.050 -1.156 1.00 0.00 C ATOM 0 H ALA A 50 -7.698 8.635 -2.735 1.00 0.00 H new ATOM 0 HA ALA A 50 -6.837 10.860 -1.062 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -4.872 9.480 -0.707 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -6.376 8.587 -0.380 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -5.479 8.296 -1.889 1.00 0.00 H new ATOM 767 N GLU A 51 -6.163 12.130 -3.195 1.00 0.00 N ATOM 768 CA GLU A 51 -5.440 13.016 -4.104 1.00 0.00 C ATOM 769 C GLU A 51 -4.036 13.360 -3.561 1.00 0.00 C ATOM 770 O GLU A 51 -3.157 13.754 -4.329 1.00 0.00 O ATOM 771 CB GLU A 51 -6.308 14.265 -4.345 1.00 0.00 C ATOM 772 CG GLU A 51 -5.751 15.207 -5.422 1.00 0.00 C ATOM 773 CD GLU A 51 -6.743 16.338 -5.749 1.00 0.00 C ATOM 774 OE1 GLU A 51 -6.702 17.403 -5.092 1.00 0.00 O ATOM 775 OE2 GLU A 51 -7.563 16.186 -6.684 1.00 0.00 O ATOM 0 H GLU A 51 -7.006 12.548 -2.801 1.00 0.00 H new ATOM 0 HA GLU A 51 -5.266 12.518 -5.058 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -7.310 13.949 -4.634 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -6.405 14.815 -3.409 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -4.809 15.635 -5.080 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -5.534 14.639 -6.327 1.00 0.00 H new ATOM 782 N TYR A 52 -3.797 13.168 -2.259 1.00 0.00 N ATOM 783 CA TYR A 52 -2.534 13.404 -1.564 1.00 0.00 C ATOM 784 C TYR A 52 -2.228 12.174 -0.706 1.00 0.00 C ATOM 785 O TYR A 52 -3.149 11.488 -0.249 1.00 0.00 O ATOM 786 CB TYR A 52 -2.572 14.706 -0.743 1.00 0.00 C ATOM 787 CG TYR A 52 -3.920 15.136 -0.196 1.00 0.00 C ATOM 788 CD1 TYR A 52 -4.829 15.783 -1.052 1.00 0.00 C ATOM 789 CD2 TYR A 52 -4.253 14.928 1.154 1.00 0.00 C ATOM 790 CE1 TYR A 52 -6.082 16.205 -0.573 1.00 0.00 C ATOM 791 CE2 TYR A 52 -5.501 15.353 1.646 1.00 0.00 C ATOM 792 CZ TYR A 52 -6.424 15.990 0.784 1.00 0.00 C ATOM 793 OH TYR A 52 -7.630 16.396 1.272 1.00 0.00 O ATOM 0 H TYR A 52 -4.523 12.824 -1.630 1.00 0.00 H new ATOM 0 HA TYR A 52 -1.729 13.544 -2.286 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -1.885 14.598 0.096 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -2.187 15.512 -1.368 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -4.563 15.957 -2.084 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -3.550 14.442 1.814 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -6.781 16.691 -1.238 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -5.755 15.193 2.683 1.00 0.00 H new ATOM 0 HH TYR A 52 -7.693 16.165 2.222 1.00 0.00 H new ATOM 803 N HIS A 53 -0.947 11.862 -0.504 1.00 0.00 N ATOM 804 CA HIS A 53 -0.522 10.608 0.113 1.00 0.00 C ATOM 805 C HIS A 53 -0.837 10.640 1.605 1.00 0.00 C ATOM 806 O HIS A 53 -1.193 9.611 2.186 1.00 0.00 O ATOM 807 CB HIS A 53 0.982 10.382 -0.098 1.00 0.00 C ATOM 808 CG HIS A 53 1.440 10.468 -1.535 1.00 0.00 C ATOM 809 ND1 HIS A 53 1.747 9.385 -2.360 1.00 0.00 N ATOM 810 CD2 HIS A 53 1.731 11.622 -2.202 1.00 0.00 C ATOM 811 CE1 HIS A 53 2.212 9.924 -3.501 1.00 0.00 C ATOM 812 NE2 HIS A 53 2.210 11.262 -3.437 1.00 0.00 N ATOM 0 H HIS A 53 -0.174 12.474 -0.765 1.00 0.00 H new ATOM 0 HA HIS A 53 -1.063 9.786 -0.356 1.00 0.00 H new ATOM 0 HB2 HIS A 53 1.532 11.118 0.488 1.00 0.00 H new ATOM 0 HB3 HIS A 53 1.246 9.400 0.295 1.00 0.00 H new ATOM 0 HD2 HIS A 53 1.608 12.628 -1.829 1.00 0.00 H new ATOM 0 HE1 HIS A 53 2.543 9.353 -4.356 1.00 0.00 H new ATOM 0 HE2 HIS A 53 2.511 11.899 -4.174 1.00 0.00 H new ATOM 820 N ALA A 54 -0.776 11.827 2.218 1.00 0.00 N ATOM 821 CA ALA A 54 -1.196 12.021 3.599 1.00 0.00 C ATOM 822 C ALA A 54 -2.635 11.551 3.851 1.00 0.00 C ATOM 823 O ALA A 54 -2.934 11.147 4.975 1.00 0.00 O ATOM 824 CB ALA A 54 -1.044 13.493 3.994 1.00 0.00 C ATOM 0 H ALA A 54 -0.434 12.675 1.767 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.546 11.405 4.220 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -1.361 13.627 5.028 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.000 13.791 3.893 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -1.662 14.110 3.342 1.00 0.00 H new ATOM 830 N ASP A 55 -3.524 11.590 2.848 1.00 0.00 N ATOM 831 CA ASP A 55 -4.932 11.252 3.058 1.00 0.00 C ATOM 832 C ASP A 55 -5.091 9.771 3.392 1.00 0.00 C ATOM 833 O ASP A 55 -5.713 9.419 4.395 1.00 0.00 O ATOM 834 CB ASP A 55 -5.783 11.575 1.826 1.00 0.00 C ATOM 835 CG ASP A 55 -7.272 11.543 2.200 1.00 0.00 C ATOM 836 OD1 ASP A 55 -7.737 12.457 2.920 1.00 0.00 O ATOM 837 OD2 ASP A 55 -7.984 10.615 1.766 1.00 0.00 O ATOM 0 H ASP A 55 -3.291 11.851 1.890 1.00 0.00 H new ATOM 0 HA ASP A 55 -5.279 11.858 3.895 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -5.517 12.558 1.437 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -5.582 10.853 1.034 1.00 0.00 H new ATOM 842 N ILE A 56 -4.473 8.903 2.581 1.00 0.00 N ATOM 843 CA ILE A 56 -4.446 7.470 2.834 1.00 0.00 C ATOM 844 C ILE A 56 -3.631 7.178 4.084 1.00 0.00 C ATOM 845 O ILE A 56 -4.049 6.312 4.844 1.00 0.00 O ATOM 846 CB ILE A 56 -3.936 6.620 1.639 1.00 0.00 C ATOM 847 CG1 ILE A 56 -2.927 7.329 0.699 1.00 0.00 C ATOM 848 CG2 ILE A 56 -5.136 5.970 0.932 1.00 0.00 C ATOM 849 CD1 ILE A 56 -2.752 6.668 -0.672 1.00 0.00 C ATOM 0 H ILE A 56 -3.980 9.182 1.733 1.00 0.00 H new ATOM 0 HA ILE A 56 -5.483 7.170 2.983 1.00 0.00 H new ATOM 0 HB ILE A 56 -3.310 5.825 2.044 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -3.252 8.359 0.551 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -1.957 7.369 1.194 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -4.783 5.372 0.092 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -5.669 5.330 1.635 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -5.808 6.747 0.567 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -2.028 7.233 -1.259 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.394 5.647 -0.541 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -3.709 6.653 -1.193 1.00 0.00 H new ATOM 861 N TYR A 57 -2.513 7.869 4.335 1.00 0.00 N ATOM 862 CA TYR A 57 -1.741 7.570 5.532 1.00 0.00 C ATOM 863 C TYR A 57 -2.590 7.799 6.786 1.00 0.00 C ATOM 864 O TYR A 57 -2.664 6.914 7.636 1.00 0.00 O ATOM 865 CB TYR A 57 -0.429 8.360 5.579 1.00 0.00 C ATOM 866 CG TYR A 57 0.420 8.038 6.800 1.00 0.00 C ATOM 867 CD1 TYR A 57 0.693 6.698 7.145 1.00 0.00 C ATOM 868 CD2 TYR A 57 0.924 9.075 7.608 1.00 0.00 C ATOM 869 CE1 TYR A 57 1.468 6.395 8.275 1.00 0.00 C ATOM 870 CE2 TYR A 57 1.717 8.782 8.732 1.00 0.00 C ATOM 871 CZ TYR A 57 2.002 7.437 9.065 1.00 0.00 C ATOM 872 OH TYR A 57 2.791 7.128 10.133 1.00 0.00 O ATOM 0 H TYR A 57 -2.138 8.612 3.745 1.00 0.00 H new ATOM 0 HA TYR A 57 -1.464 6.516 5.499 1.00 0.00 H new ATOM 0 HB2 TYR A 57 0.147 8.149 4.678 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -0.654 9.427 5.572 1.00 0.00 H new ATOM 0 HD1 TYR A 57 0.302 5.898 6.534 1.00 0.00 H new ATOM 0 HD2 TYR A 57 0.700 10.103 7.363 1.00 0.00 H new ATOM 0 HE1 TYR A 57 1.656 5.365 8.541 1.00 0.00 H new ATOM 0 HE2 TYR A 57 2.108 9.584 9.341 1.00 0.00 H new ATOM 0 HH TYR A 57 3.082 7.953 10.575 1.00 0.00 H new ATOM 882 N ASP A 58 -3.288 8.935 6.879 1.00 0.00 N ATOM 883 CA ASP A 58 -4.138 9.233 8.026 1.00 0.00 C ATOM 884 C ASP A 58 -5.294 8.236 8.142 1.00 0.00 C ATOM 885 O ASP A 58 -5.523 7.680 9.217 1.00 0.00 O ATOM 886 CB ASP A 58 -4.686 10.660 7.934 1.00 0.00 C ATOM 887 CG ASP A 58 -5.621 10.951 9.119 1.00 0.00 C ATOM 888 OD1 ASP A 58 -5.122 11.173 10.246 1.00 0.00 O ATOM 889 OD2 ASP A 58 -6.856 10.985 8.928 1.00 0.00 O ATOM 0 H ASP A 58 -3.278 9.665 6.167 1.00 0.00 H new ATOM 0 HA ASP A 58 -3.522 9.144 8.921 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -3.862 11.373 7.929 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.226 10.790 6.996 1.00 0.00 H new ATOM 894 N LYS A 59 -6.002 7.971 7.039 1.00 0.00 N ATOM 895 CA LYS A 59 -7.154 7.070 7.023 1.00 0.00 C ATOM 896 C LYS A 59 -6.751 5.648 7.400 1.00 0.00 C ATOM 897 O LYS A 59 -7.368 5.048 8.280 1.00 0.00 O ATOM 898 CB LYS A 59 -7.804 7.148 5.634 1.00 0.00 C ATOM 899 CG LYS A 59 -8.959 6.153 5.433 1.00 0.00 C ATOM 900 CD LYS A 59 -10.016 6.774 4.513 1.00 0.00 C ATOM 901 CE LYS A 59 -11.064 5.736 4.090 1.00 0.00 C ATOM 902 NZ LYS A 59 -12.027 6.292 3.107 1.00 0.00 N ATOM 0 H LYS A 59 -5.789 8.379 6.129 1.00 0.00 H new ATOM 0 HA LYS A 59 -7.883 7.378 7.773 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -8.176 8.160 5.474 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -7.043 6.965 4.876 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -8.583 5.226 4.999 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -9.404 5.897 6.395 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -10.507 7.602 5.025 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -9.533 7.188 3.628 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -10.563 4.870 3.658 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -11.604 5.386 4.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -12.942 5.808 3.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -12.152 7.310 3.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -11.662 6.148 2.144 1.00 0.00 H new ATOM 916 N VAL A 60 -5.728 5.103 6.749 1.00 0.00 N ATOM 917 CA VAL A 60 -5.357 3.707 6.906 1.00 0.00 C ATOM 918 C VAL A 60 -4.715 3.516 8.275 1.00 0.00 C ATOM 919 O VAL A 60 -5.128 2.606 8.987 1.00 0.00 O ATOM 920 CB VAL A 60 -4.459 3.256 5.739 1.00 0.00 C ATOM 921 CG1 VAL A 60 -4.013 1.792 5.903 1.00 0.00 C ATOM 922 CG2 VAL A 60 -5.203 3.404 4.398 1.00 0.00 C ATOM 0 H VAL A 60 -5.135 5.619 6.099 1.00 0.00 H new ATOM 0 HA VAL A 60 -6.239 3.068 6.868 1.00 0.00 H new ATOM 0 HB VAL A 60 -3.576 3.895 5.746 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -3.381 1.508 5.062 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.452 1.684 6.831 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -4.890 1.146 5.932 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -4.554 3.081 3.584 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -6.102 2.788 4.411 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -5.480 4.448 4.249 1.00 0.00 H new ATOM 932 N SER A 61 -3.781 4.371 8.704 1.00 0.00 N ATOM 933 CA SER A 61 -3.224 4.251 10.047 1.00 0.00 C ATOM 934 C SER A 61 -4.297 4.489 11.114 1.00 0.00 C ATOM 935 O SER A 61 -4.192 3.926 12.202 1.00 0.00 O ATOM 936 CB SER A 61 -2.030 5.190 10.217 1.00 0.00 C ATOM 937 OG SER A 61 -1.034 4.838 9.274 1.00 0.00 O ATOM 0 H SER A 61 -3.403 5.139 8.149 1.00 0.00 H new ATOM 0 HA SER A 61 -2.864 3.231 10.182 1.00 0.00 H new ATOM 0 HB2 SER A 61 -2.340 6.225 10.070 1.00 0.00 H new ATOM 0 HB3 SER A 61 -1.634 5.117 11.230 1.00 0.00 H new ATOM 0 HG SER A 61 -0.450 5.608 9.112 1.00 0.00 H new ATOM 943 N GLY A 62 -5.346 5.266 10.825 1.00 0.00 N ATOM 944 CA GLY A 62 -6.508 5.385 11.689 1.00 0.00 C ATOM 945 C GLY A 62 -7.217 4.041 11.821 1.00 0.00 C ATOM 946 O GLY A 62 -7.437 3.577 12.937 1.00 0.00 O ATOM 0 H GLY A 62 -5.406 5.831 9.978 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.202 5.739 12.673 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -7.196 6.127 11.283 1.00 0.00 H new ATOM 950 N ASP A 63 -7.533 3.376 10.705 1.00 0.00 N ATOM 951 CA ASP A 63 -8.177 2.062 10.725 1.00 0.00 C ATOM 952 C ASP A 63 -7.314 1.023 11.436 1.00 0.00 C ATOM 953 O ASP A 63 -7.815 0.278 12.276 1.00 0.00 O ATOM 954 CB ASP A 63 -8.515 1.577 9.313 1.00 0.00 C ATOM 955 CG ASP A 63 -9.269 0.238 9.390 1.00 0.00 C ATOM 956 OD1 ASP A 63 -10.517 0.259 9.487 1.00 0.00 O ATOM 957 OD2 ASP A 63 -8.624 -0.833 9.343 1.00 0.00 O ATOM 0 H ASP A 63 -7.350 3.733 9.767 1.00 0.00 H new ATOM 0 HA ASP A 63 -9.106 2.180 11.282 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -9.125 2.320 8.800 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -7.601 1.458 8.731 1.00 0.00 H new ATOM 962 N MET A 64 -6.008 1.016 11.164 1.00 0.00 N ATOM 963 CA MET A 64 -5.067 0.110 11.805 1.00 0.00 C ATOM 964 C MET A 64 -5.080 0.326 13.312 1.00 0.00 C ATOM 965 O MET A 64 -5.213 -0.642 14.051 1.00 0.00 O ATOM 966 CB MET A 64 -3.654 0.309 11.245 1.00 0.00 C ATOM 967 CG MET A 64 -3.524 -0.104 9.771 1.00 0.00 C ATOM 968 SD MET A 64 -3.642 -1.884 9.467 1.00 0.00 S ATOM 969 CE MET A 64 -5.329 -1.920 8.815 1.00 0.00 C ATOM 0 H MET A 64 -5.575 1.645 10.487 1.00 0.00 H new ATOM 0 HA MET A 64 -5.372 -0.915 11.594 1.00 0.00 H new ATOM 0 HB2 MET A 64 -3.374 1.357 11.348 1.00 0.00 H new ATOM 0 HB3 MET A 64 -2.949 -0.270 11.841 1.00 0.00 H new ATOM 0 HG2 MET A 64 -4.301 0.400 9.197 1.00 0.00 H new ATOM 0 HG3 MET A 64 -2.566 0.252 9.392 1.00 0.00 H new ATOM 0 HE1 MET A 64 -5.722 -2.935 8.878 1.00 0.00 H new ATOM 0 HE2 MET A 64 -5.959 -1.250 9.399 1.00 0.00 H new ATOM 0 HE3 MET A 64 -5.324 -1.597 7.774 1.00 0.00 H new ATOM 979 N GLN A 65 -5.014 1.571 13.785 1.00 0.00 N ATOM 980 CA GLN A 65 -5.033 1.877 15.206 1.00 0.00 C ATOM 981 C GLN A 65 -6.403 1.596 15.838 1.00 0.00 C ATOM 982 O GLN A 65 -6.465 1.235 17.015 1.00 0.00 O ATOM 983 CB GLN A 65 -4.606 3.335 15.398 1.00 0.00 C ATOM 984 CG GLN A 65 -3.088 3.513 15.207 1.00 0.00 C ATOM 985 CD GLN A 65 -2.702 4.990 15.223 1.00 0.00 C ATOM 986 OE1 GLN A 65 -2.149 5.505 16.193 1.00 0.00 O ATOM 987 NE2 GLN A 65 -3.001 5.703 14.151 1.00 0.00 N ATOM 0 H GLN A 65 -4.946 2.395 13.187 1.00 0.00 H new ATOM 0 HA GLN A 65 -4.330 1.223 15.722 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -5.139 3.967 14.688 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -4.889 3.669 16.396 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -2.554 2.986 15.998 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -2.782 3.064 14.262 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -3.460 5.260 13.355 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -2.773 6.697 14.120 1.00 0.00 H new ATOM 996 N LYS A 66 -7.501 1.684 15.080 1.00 0.00 N ATOM 997 CA LYS A 66 -8.812 1.224 15.542 1.00 0.00 C ATOM 998 C LYS A 66 -8.809 -0.299 15.703 1.00 0.00 C ATOM 999 O LYS A 66 -9.351 -0.784 16.698 1.00 0.00 O ATOM 1000 CB LYS A 66 -9.927 1.734 14.612 1.00 0.00 C ATOM 1001 CG LYS A 66 -10.217 3.224 14.877 1.00 0.00 C ATOM 1002 CD LYS A 66 -11.322 3.819 13.991 1.00 0.00 C ATOM 1003 CE LYS A 66 -10.902 3.967 12.519 1.00 0.00 C ATOM 1004 NZ LYS A 66 -11.964 4.604 11.698 1.00 0.00 N ATOM 0 H LYS A 66 -7.505 2.073 14.137 1.00 0.00 H new ATOM 0 HA LYS A 66 -9.021 1.645 16.525 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -9.632 1.595 13.572 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -10.833 1.149 14.767 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -10.500 3.347 15.922 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -9.300 3.793 14.726 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -12.206 3.184 14.048 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -11.606 4.796 14.382 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -9.992 4.563 12.460 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -10.667 2.985 12.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -11.640 4.685 10.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -12.825 4.022 11.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -12.171 5.552 12.073 1.00 0.00 H new ATOM 1018 N GLN A 67 -8.150 -1.059 14.816 1.00 0.00 N ATOM 1019 CA GLN A 67 -7.920 -2.489 15.046 1.00 0.00 C ATOM 1020 C GLN A 67 -6.911 -2.696 16.195 1.00 0.00 C ATOM 1021 O GLN A 67 -6.937 -3.729 16.860 1.00 0.00 O ATOM 1022 CB GLN A 67 -7.442 -3.191 13.760 1.00 0.00 C ATOM 1023 CG GLN A 67 -8.488 -3.164 12.631 1.00 0.00 C ATOM 1024 CD GLN A 67 -8.053 -3.995 11.420 1.00 0.00 C ATOM 1025 OE1 GLN A 67 -7.741 -5.178 11.538 1.00 0.00 O ATOM 1026 NE2 GLN A 67 -8.030 -3.427 10.224 1.00 0.00 N ATOM 0 H GLN A 67 -7.769 -0.707 13.937 1.00 0.00 H new ATOM 0 HA GLN A 67 -8.868 -2.942 15.336 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -6.527 -2.712 13.411 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -7.192 -4.227 13.990 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -9.437 -3.544 13.008 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -8.658 -2.133 12.320 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -8.288 -2.446 10.120 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -7.754 -3.971 9.406 1.00 0.00 H new ATOM 1035 N GLY A 68 -6.033 -1.720 16.446 1.00 0.00 N ATOM 1036 CA GLY A 68 -5.055 -1.648 17.531 1.00 0.00 C ATOM 1037 C GLY A 68 -3.616 -1.582 17.017 1.00 0.00 C ATOM 1038 O GLY A 68 -2.731 -1.122 17.738 1.00 0.00 O ATOM 0 H GLY A 68 -5.986 -0.896 15.847 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -5.260 -0.770 18.143 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -5.168 -2.519 18.176 1.00 0.00 H new ATOM 1042 N CYS A 69 -3.395 -2.029 15.779 1.00 0.00 N ATOM 1043 CA CYS A 69 -2.107 -2.094 15.109 1.00 0.00 C ATOM 1044 C CYS A 69 -1.379 -0.748 15.129 1.00 0.00 C ATOM 1045 O CYS A 69 -1.998 0.316 15.063 1.00 0.00 O ATOM 1046 CB CYS A 69 -2.344 -2.550 13.667 1.00 0.00 C ATOM 1047 SG CYS A 69 -2.895 -4.278 13.669 1.00 0.00 S ATOM 0 H CYS A 69 -4.154 -2.372 15.191 1.00 0.00 H new ATOM 0 HA CYS A 69 -1.468 -2.802 15.638 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -3.094 -1.918 13.192 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -1.427 -2.449 13.086 1.00 0.00 H new ATOM 0 HG CYS A 69 -3.832 -4.436 12.782 1.00 0.00 H new ATOM 1053 N ASP A 70 -0.049 -0.814 15.141 1.00 0.00 N ATOM 1054 CA ASP A 70 0.841 0.342 15.106 1.00 0.00 C ATOM 1055 C ASP A 70 1.490 0.365 13.726 1.00 0.00 C ATOM 1056 O ASP A 70 1.864 -0.700 13.227 1.00 0.00 O ATOM 1057 CB ASP A 70 1.880 0.205 16.219 1.00 0.00 C ATOM 1058 CG ASP A 70 2.923 1.332 16.139 1.00 0.00 C ATOM 1059 OD1 ASP A 70 2.535 2.520 16.194 1.00 0.00 O ATOM 1060 OD2 ASP A 70 4.133 1.035 16.045 1.00 0.00 O ATOM 0 H ASP A 70 0.453 -1.701 15.176 1.00 0.00 H new ATOM 0 HA ASP A 70 0.306 1.277 15.271 1.00 0.00 H new ATOM 0 HB2 ASP A 70 1.384 0.231 17.190 1.00 0.00 H new ATOM 0 HB3 ASP A 70 2.377 -0.762 16.141 1.00 0.00 H new ATOM 1065 N CYS A 71 1.624 1.546 13.111 1.00 0.00 N ATOM 1066 CA CYS A 71 1.999 1.671 11.705 1.00 0.00 C ATOM 1067 C CYS A 71 2.948 2.832 11.409 1.00 0.00 C ATOM 1068 O CYS A 71 3.063 3.769 12.202 1.00 0.00 O ATOM 1069 CB CYS A 71 0.712 1.898 10.902 1.00 0.00 C ATOM 1070 SG CYS A 71 -0.284 0.393 10.892 1.00 0.00 S ATOM 0 H CYS A 71 1.474 2.440 13.578 1.00 0.00 H new ATOM 0 HA CYS A 71 2.527 0.757 11.432 1.00 0.00 H new ATOM 0 HB2 CYS A 71 0.142 2.718 11.338 1.00 0.00 H new ATOM 0 HB3 CYS A 71 0.958 2.188 9.880 1.00 0.00 H new ATOM 0 HG CYS A 71 -0.768 0.185 12.081 1.00 0.00 H new ATOM 1076 N GLU A 72 3.571 2.793 10.226 1.00 0.00 N ATOM 1077 CA GLU A 72 4.433 3.836 9.690 1.00 0.00 C ATOM 1078 C GLU A 72 4.391 3.728 8.161 1.00 0.00 C ATOM 1079 O GLU A 72 4.571 2.630 7.633 1.00 0.00 O ATOM 1080 CB GLU A 72 5.848 3.574 10.233 1.00 0.00 C ATOM 1081 CG GLU A 72 6.921 4.450 9.585 1.00 0.00 C ATOM 1082 CD GLU A 72 8.291 4.225 10.245 1.00 0.00 C ATOM 1083 OE1 GLU A 72 8.806 3.085 10.198 1.00 0.00 O ATOM 1084 OE2 GLU A 72 8.866 5.186 10.807 1.00 0.00 O ATOM 0 H GLU A 72 3.480 1.997 9.594 1.00 0.00 H new ATOM 0 HA GLU A 72 4.118 4.839 9.979 1.00 0.00 H new ATOM 0 HB2 GLU A 72 5.853 3.744 11.310 1.00 0.00 H new ATOM 0 HB3 GLU A 72 6.101 2.526 10.075 1.00 0.00 H new ATOM 0 HG2 GLU A 72 6.985 4.224 8.521 1.00 0.00 H new ATOM 0 HG3 GLU A 72 6.640 5.499 9.672 1.00 0.00 H new ATOM 1091 N CYS A 73 4.157 4.822 7.427 1.00 0.00 N ATOM 1092 CA CYS A 73 4.327 4.809 5.976 1.00 0.00 C ATOM 1093 C CYS A 73 5.834 4.729 5.686 1.00 0.00 C ATOM 1094 O CYS A 73 6.604 5.588 6.122 1.00 0.00 O ATOM 1095 CB CYS A 73 3.644 6.016 5.297 1.00 0.00 C ATOM 1096 SG CYS A 73 4.057 7.573 6.135 1.00 0.00 S ATOM 0 H CYS A 73 3.853 5.716 7.812 1.00 0.00 H new ATOM 0 HA CYS A 73 3.830 3.939 5.546 1.00 0.00 H new ATOM 0 HB2 CYS A 73 3.953 6.070 4.253 1.00 0.00 H new ATOM 0 HB3 CYS A 73 2.563 5.874 5.302 1.00 0.00 H new ATOM 0 HG CYS A 73 4.270 8.500 5.249 1.00 0.00 H new ATOM 1102 N LEU A 74 6.268 3.699 4.954 1.00 0.00 N ATOM 1103 CA LEU A 74 7.635 3.626 4.444 1.00 0.00 C ATOM 1104 C LEU A 74 7.838 4.671 3.341 1.00 0.00 C ATOM 1105 O LEU A 74 8.962 5.124 3.127 1.00 0.00 O ATOM 1106 CB LEU A 74 7.962 2.216 3.922 1.00 0.00 C ATOM 1107 CG LEU A 74 7.911 1.089 4.975 1.00 0.00 C ATOM 1108 CD1 LEU A 74 8.465 -0.208 4.371 1.00 0.00 C ATOM 1109 CD2 LEU A 74 8.703 1.416 6.249 1.00 0.00 C ATOM 0 H LEU A 74 5.686 2.900 4.701 1.00 0.00 H new ATOM 0 HA LEU A 74 8.319 3.840 5.265 1.00 0.00 H new ATOM 0 HB2 LEU A 74 7.264 1.973 3.121 1.00 0.00 H new ATOM 0 HB3 LEU A 74 8.959 2.233 3.481 1.00 0.00 H new ATOM 0 HG LEU A 74 6.864 0.976 5.258 1.00 0.00 H new ATOM 0 HD11 LEU A 74 8.428 -1.002 5.117 1.00 0.00 H new ATOM 0 HD12 LEU A 74 7.864 -0.493 3.507 1.00 0.00 H new ATOM 0 HD13 LEU A 74 9.498 -0.052 4.059 1.00 0.00 H new ATOM 0 HD21 LEU A 74 8.627 0.584 6.949 1.00 0.00 H new ATOM 0 HD22 LEU A 74 9.750 1.581 5.994 1.00 0.00 H new ATOM 0 HD23 LEU A 74 8.295 2.316 6.710 1.00 0.00 H new ATOM 1121 N GLY A 75 6.759 5.072 2.661 1.00 0.00 N ATOM 1122 CA GLY A 75 6.733 6.182 1.724 1.00 0.00 C ATOM 1123 C GLY A 75 5.423 6.168 0.948 1.00 0.00 C ATOM 1124 O GLY A 75 4.520 5.377 1.249 1.00 0.00 O ATOM 0 H GLY A 75 5.853 4.613 2.756 1.00 0.00 H new ATOM 0 HA2 GLY A 75 6.839 7.125 2.260 1.00 0.00 H new ATOM 0 HA3 GLY A 75 7.575 6.109 1.036 1.00 0.00 H new ATOM 1128 N GLY A 76 5.336 7.028 -0.063 1.00 0.00 N ATOM 1129 CA GLY A 76 4.206 7.109 -0.973 1.00 0.00 C ATOM 1130 C GLY A 76 4.682 7.065 -2.417 1.00 0.00 C ATOM 1131 O GLY A 76 5.884 7.118 -2.690 1.00 0.00 O ATOM 0 H GLY A 76 6.070 7.704 -0.274 1.00 0.00 H new ATOM 0 HA2 GLY A 76 3.520 6.283 -0.785 1.00 0.00 H new ATOM 0 HA3 GLY A 76 3.653 8.031 -0.794 1.00 0.00 H new ATOM 1135 N GLY A 77 3.729 6.963 -3.335 1.00 0.00 N ATOM 1136 CA GLY A 77 3.948 6.823 -4.761 1.00 0.00 C ATOM 1137 C GLY A 77 2.596 6.819 -5.462 1.00 0.00 C ATOM 1138 O GLY A 77 1.585 7.234 -4.896 1.00 0.00 O ATOM 0 H GLY A 77 2.739 6.977 -3.090 1.00 0.00 H new ATOM 0 HA2 GLY A 77 4.564 7.643 -5.131 1.00 0.00 H new ATOM 0 HA3 GLY A 77 4.486 5.899 -4.972 1.00 0.00 H new ATOM 1142 N ARG A 78 2.544 6.358 -6.703 1.00 0.00 N ATOM 1143 CA ARG A 78 1.328 6.318 -7.505 1.00 0.00 C ATOM 1144 C ARG A 78 1.377 5.090 -8.395 1.00 0.00 C ATOM 1145 O ARG A 78 2.431 4.474 -8.559 1.00 0.00 O ATOM 1146 CB ARG A 78 1.142 7.643 -8.278 1.00 0.00 C ATOM 1147 CG ARG A 78 2.328 7.993 -9.187 1.00 0.00 C ATOM 1148 CD ARG A 78 2.272 9.426 -9.733 1.00 0.00 C ATOM 1149 NE ARG A 78 1.643 9.505 -11.060 1.00 0.00 N ATOM 1150 CZ ARG A 78 1.612 10.592 -11.840 1.00 0.00 C ATOM 1151 NH1 ARG A 78 1.993 11.772 -11.365 1.00 0.00 N ATOM 1152 NH2 ARG A 78 1.215 10.475 -13.102 1.00 0.00 N ATOM 0 H ARG A 78 3.362 5.994 -7.191 1.00 0.00 H new ATOM 0 HA ARG A 78 0.446 6.229 -6.871 1.00 0.00 H new ATOM 0 HB2 ARG A 78 0.238 7.578 -8.883 1.00 0.00 H new ATOM 0 HB3 ARG A 78 0.990 8.453 -7.564 1.00 0.00 H new ATOM 0 HG2 ARG A 78 3.255 7.860 -8.630 1.00 0.00 H new ATOM 0 HG3 ARG A 78 2.355 7.294 -10.023 1.00 0.00 H new ATOM 0 HD2 ARG A 78 1.719 10.055 -9.035 1.00 0.00 H new ATOM 0 HD3 ARG A 78 3.284 9.828 -9.791 1.00 0.00 H new ATOM 0 HE ARG A 78 1.193 8.661 -11.415 1.00 0.00 H new ATOM 0 HH11 ARG A 78 2.312 11.854 -10.400 1.00 0.00 H new ATOM 0 HH12 ARG A 78 1.967 12.596 -11.965 1.00 0.00 H new ATOM 0 HH21 ARG A 78 0.938 9.564 -13.467 1.00 0.00 H new ATOM 0 HH22 ARG A 78 1.187 11.296 -13.706 1.00 0.00 H new ATOM 1166 N ILE A 79 0.224 4.722 -8.933 1.00 0.00 N ATOM 1167 CA ILE A 79 0.001 3.478 -9.652 1.00 0.00 C ATOM 1168 C ILE A 79 -0.750 3.853 -10.927 1.00 0.00 C ATOM 1169 O ILE A 79 -1.606 4.743 -10.900 1.00 0.00 O ATOM 1170 CB ILE A 79 -0.782 2.468 -8.764 1.00 0.00 C ATOM 1171 CG1 ILE A 79 0.031 2.098 -7.497 1.00 0.00 C ATOM 1172 CG2 ILE A 79 -1.146 1.187 -9.546 1.00 0.00 C ATOM 1173 CD1 ILE A 79 -0.686 1.166 -6.509 1.00 0.00 C ATOM 0 H ILE A 79 -0.612 5.303 -8.878 1.00 0.00 H new ATOM 0 HA ILE A 79 0.935 2.976 -9.907 1.00 0.00 H new ATOM 0 HB ILE A 79 -1.707 2.958 -8.461 1.00 0.00 H new ATOM 0 HG12 ILE A 79 0.962 1.625 -7.808 1.00 0.00 H new ATOM 0 HG13 ILE A 79 0.299 3.017 -6.976 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -1.692 0.505 -8.894 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -1.769 1.448 -10.402 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -0.234 0.703 -9.895 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -0.035 0.968 -5.658 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -1.603 1.641 -6.161 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -0.930 0.227 -7.006 1.00 0.00 H new ATOM 1333 N HIS A 89 2.144 -0.517 -13.268 1.00 0.00 N ATOM 1334 CA HIS A 89 3.390 0.148 -12.900 1.00 0.00 C ATOM 1335 C HIS A 89 3.188 0.943 -11.611 1.00 0.00 C ATOM 1336 O HIS A 89 2.091 1.453 -11.366 1.00 0.00 O ATOM 1337 CB HIS A 89 3.832 1.053 -14.062 1.00 0.00 C ATOM 1338 CG HIS A 89 5.269 1.505 -13.978 1.00 0.00 C ATOM 1339 ND1 HIS A 89 6.384 0.711 -14.137 1.00 0.00 N ATOM 1340 CD2 HIS A 89 5.714 2.790 -13.815 1.00 0.00 C ATOM 1341 CE1 HIS A 89 7.471 1.497 -14.064 1.00 0.00 C ATOM 1342 NE2 HIS A 89 7.114 2.778 -13.864 1.00 0.00 N ATOM 0 HA HIS A 89 4.175 -0.586 -12.716 1.00 0.00 H new ATOM 0 HB2 HIS A 89 3.685 0.519 -15.001 1.00 0.00 H new ATOM 0 HB3 HIS A 89 3.187 1.931 -14.090 1.00 0.00 H new ATOM 0 HD2 HIS A 89 5.093 3.662 -13.673 1.00 0.00 H new ATOM 0 HE1 HIS A 89 8.489 1.149 -14.153 1.00 0.00 H new ATOM 0 HE2 HIS A 89 7.737 3.580 -13.767 1.00 0.00 H new ATOM 1350 N VAL A 90 4.248 1.077 -10.813 1.00 0.00 N ATOM 1351 CA VAL A 90 4.260 1.780 -9.532 1.00 0.00 C ATOM 1352 C VAL A 90 5.421 2.770 -9.608 1.00 0.00 C ATOM 1353 O VAL A 90 6.527 2.386 -9.982 1.00 0.00 O ATOM 1354 CB VAL A 90 4.449 0.785 -8.368 1.00 0.00 C ATOM 1355 CG1 VAL A 90 4.232 1.497 -7.026 1.00 0.00 C ATOM 1356 CG2 VAL A 90 3.501 -0.423 -8.435 1.00 0.00 C ATOM 0 H VAL A 90 5.158 0.682 -11.052 1.00 0.00 H new ATOM 0 HA VAL A 90 3.318 2.295 -9.347 1.00 0.00 H new ATOM 0 HB VAL A 90 5.469 0.411 -8.457 1.00 0.00 H new ATOM 0 HG11 VAL A 90 4.368 0.786 -6.211 1.00 0.00 H new ATOM 0 HG12 VAL A 90 4.953 2.308 -6.924 1.00 0.00 H new ATOM 0 HG13 VAL A 90 3.221 1.903 -6.989 1.00 0.00 H new ATOM 0 HG21 VAL A 90 3.689 -1.081 -7.586 1.00 0.00 H new ATOM 0 HG22 VAL A 90 2.468 -0.077 -8.404 1.00 0.00 H new ATOM 0 HG23 VAL A 90 3.673 -0.969 -9.362 1.00 0.00 H new ATOM 1366 N TYR A 91 5.201 4.045 -9.302 1.00 0.00 N ATOM 1367 CA TYR A 91 6.192 5.080 -9.570 1.00 0.00 C ATOM 1368 C TYR A 91 5.926 6.327 -8.731 1.00 0.00 C ATOM 1369 O TYR A 91 5.055 6.305 -7.861 1.00 0.00 O ATOM 1370 CB TYR A 91 6.206 5.369 -11.087 1.00 0.00 C ATOM 1371 CG TYR A 91 4.922 5.928 -11.680 1.00 0.00 C ATOM 1372 CD1 TYR A 91 3.771 5.120 -11.795 1.00 0.00 C ATOM 1373 CD2 TYR A 91 4.888 7.255 -12.150 1.00 0.00 C ATOM 1374 CE1 TYR A 91 2.585 5.642 -12.329 1.00 0.00 C ATOM 1375 CE2 TYR A 91 3.711 7.775 -12.716 1.00 0.00 C ATOM 1376 CZ TYR A 91 2.550 6.973 -12.796 1.00 0.00 C ATOM 1377 OH TYR A 91 1.385 7.501 -13.264 1.00 0.00 O ATOM 0 H TYR A 91 4.343 4.386 -8.868 1.00 0.00 H new ATOM 0 HA TYR A 91 7.184 4.735 -9.278 1.00 0.00 H new ATOM 0 HB2 TYR A 91 7.012 6.073 -11.293 1.00 0.00 H new ATOM 0 HB3 TYR A 91 6.449 4.444 -11.609 1.00 0.00 H new ATOM 0 HD1 TYR A 91 3.804 4.091 -11.469 1.00 0.00 H new ATOM 0 HD2 TYR A 91 5.769 7.875 -12.075 1.00 0.00 H new ATOM 0 HE1 TYR A 91 1.699 5.026 -12.383 1.00 0.00 H new ATOM 0 HE2 TYR A 91 3.694 8.788 -13.090 1.00 0.00 H new ATOM 0 HH TYR A 91 0.628 7.081 -12.805 1.00 0.00 H new ATOM 1387 N GLY A 92 6.658 7.416 -8.980 1.00 0.00 N ATOM 1388 CA GLY A 92 6.488 8.669 -8.259 1.00 0.00 C ATOM 1389 C GLY A 92 6.875 8.556 -6.785 1.00 0.00 C ATOM 1390 O GLY A 92 7.566 7.621 -6.371 1.00 0.00 O ATOM 0 H GLY A 92 7.388 7.448 -9.692 1.00 0.00 H new ATOM 0 HA2 GLY A 92 7.095 9.441 -8.732 1.00 0.00 H new ATOM 0 HA3 GLY A 92 5.449 8.989 -8.334 1.00 0.00 H new ATOM 1394 N TYR A 93 6.480 9.566 -6.006 1.00 0.00 N ATOM 1395 CA TYR A 93 6.911 9.750 -4.627 1.00 0.00 C ATOM 1396 C TYR A 93 5.968 10.705 -3.894 1.00 0.00 C ATOM 1397 O TYR A 93 5.277 11.511 -4.525 1.00 0.00 O ATOM 1398 CB TYR A 93 8.338 10.337 -4.623 1.00 0.00 C ATOM 1399 CG TYR A 93 8.564 11.523 -5.550 1.00 0.00 C ATOM 1400 CD1 TYR A 93 8.240 12.829 -5.133 1.00 0.00 C ATOM 1401 CD2 TYR A 93 9.094 11.316 -6.840 1.00 0.00 C ATOM 1402 CE1 TYR A 93 8.430 13.921 -5.998 1.00 0.00 C ATOM 1403 CE2 TYR A 93 9.290 12.403 -7.710 1.00 0.00 C ATOM 1404 CZ TYR A 93 8.958 13.712 -7.294 1.00 0.00 C ATOM 1405 OH TYR A 93 9.154 14.762 -8.142 1.00 0.00 O ATOM 0 H TYR A 93 5.838 10.291 -6.327 1.00 0.00 H new ATOM 0 HA TYR A 93 6.898 8.787 -4.117 1.00 0.00 H new ATOM 0 HB2 TYR A 93 8.583 10.642 -3.606 1.00 0.00 H new ATOM 0 HB3 TYR A 93 9.037 9.547 -4.896 1.00 0.00 H new ATOM 0 HD1 TYR A 93 7.843 12.993 -4.142 1.00 0.00 H new ATOM 0 HD2 TYR A 93 9.351 10.317 -7.162 1.00 0.00 H new ATOM 0 HE1 TYR A 93 8.173 14.919 -5.673 1.00 0.00 H new ATOM 0 HE2 TYR A 93 9.695 12.237 -8.697 1.00 0.00 H new ATOM 0 HH TYR A 93 9.524 14.434 -8.988 1.00 0.00 H new ATOM 1415 N SER A 94 5.940 10.610 -2.564 1.00 0.00 N ATOM 1416 CA SER A 94 5.301 11.595 -1.697 1.00 0.00 C ATOM 1417 C SER A 94 6.337 12.703 -1.455 1.00 0.00 C ATOM 1418 O SER A 94 7.534 12.481 -1.673 1.00 0.00 O ATOM 1419 CB SER A 94 4.862 10.893 -0.403 1.00 0.00 C ATOM 1420 OG SER A 94 4.665 11.776 0.675 1.00 0.00 O ATOM 0 H SER A 94 6.366 9.836 -2.054 1.00 0.00 H new ATOM 0 HA SER A 94 4.407 12.039 -2.136 1.00 0.00 H new ATOM 0 HB2 SER A 94 3.936 10.349 -0.590 1.00 0.00 H new ATOM 0 HB3 SER A 94 5.615 10.156 -0.125 1.00 0.00 H new ATOM 0 HG SER A 94 3.708 11.959 0.777 1.00 0.00 H new ATOM 1426 N MET A 95 5.919 13.872 -0.961 1.00 0.00 N ATOM 1427 CA MET A 95 6.854 14.896 -0.501 1.00 0.00 C ATOM 1428 C MET A 95 6.891 14.945 1.025 1.00 0.00 C ATOM 1429 O MET A 95 7.959 15.211 1.582 1.00 0.00 O ATOM 1430 CB MET A 95 6.547 16.268 -1.117 1.00 0.00 C ATOM 1431 CG MET A 95 5.190 16.841 -0.697 1.00 0.00 C ATOM 1432 SD MET A 95 4.848 18.515 -1.322 1.00 0.00 S ATOM 1433 CE MET A 95 5.994 19.498 -0.312 1.00 0.00 C ATOM 0 H MET A 95 4.936 14.131 -0.870 1.00 0.00 H new ATOM 0 HA MET A 95 7.851 14.621 -0.847 1.00 0.00 H new ATOM 0 HB2 MET A 95 7.332 16.969 -0.831 1.00 0.00 H new ATOM 0 HB3 MET A 95 6.575 16.183 -2.203 1.00 0.00 H new ATOM 0 HG2 MET A 95 4.404 16.170 -1.044 1.00 0.00 H new ATOM 0 HG3 MET A 95 5.138 16.856 0.392 1.00 0.00 H new ATOM 0 HE1 MET A 95 5.804 20.559 -0.475 1.00 0.00 H new ATOM 0 HE2 MET A 95 5.846 19.260 0.741 1.00 0.00 H new ATOM 0 HE3 MET A 95 7.020 19.265 -0.596 1.00 0.00 H new ATOM 1443 N ALA A 96 5.783 14.650 1.718 1.00 0.00 N ATOM 1444 CA ALA A 96 5.800 14.563 3.174 1.00 0.00 C ATOM 1445 C ALA A 96 6.520 13.295 3.655 1.00 0.00 C ATOM 1446 O ALA A 96 7.073 13.301 4.758 1.00 0.00 O ATOM 1447 CB ALA A 96 4.373 14.614 3.722 1.00 0.00 C ATOM 0 H ALA A 96 4.873 14.470 1.293 1.00 0.00 H new ATOM 0 HA ALA A 96 6.356 15.419 3.556 1.00 0.00 H new ATOM 0 HB1 ALA A 96 4.398 14.548 4.810 1.00 0.00 H new ATOM 0 HB2 ALA A 96 3.903 15.552 3.426 1.00 0.00 H new ATOM 0 HB3 ALA A 96 3.799 13.778 3.321 1.00 0.00 H new ATOM 1453 N TYR A 97 6.545 12.233 2.840 1.00 0.00 N ATOM 1454 CA TYR A 97 7.000 10.902 3.246 1.00 0.00 C ATOM 1455 C TYR A 97 7.981 10.270 2.247 1.00 0.00 C ATOM 1456 O TYR A 97 8.521 9.198 2.528 1.00 0.00 O ATOM 1457 CB TYR A 97 5.772 10.002 3.465 1.00 0.00 C ATOM 1458 CG TYR A 97 4.670 10.630 4.307 1.00 0.00 C ATOM 1459 CD1 TYR A 97 4.837 10.777 5.698 1.00 0.00 C ATOM 1460 CD2 TYR A 97 3.498 11.114 3.694 1.00 0.00 C ATOM 1461 CE1 TYR A 97 3.832 11.380 6.477 1.00 0.00 C ATOM 1462 CE2 TYR A 97 2.483 11.696 4.467 1.00 0.00 C ATOM 1463 CZ TYR A 97 2.645 11.842 5.862 1.00 0.00 C ATOM 1464 OH TYR A 97 1.667 12.453 6.589 1.00 0.00 O ATOM 0 H TYR A 97 6.245 12.277 1.866 1.00 0.00 H new ATOM 0 HA TYR A 97 7.558 11.006 4.177 1.00 0.00 H new ATOM 0 HB2 TYR A 97 5.359 9.730 2.494 1.00 0.00 H new ATOM 0 HB3 TYR A 97 6.096 9.078 3.944 1.00 0.00 H new ATOM 0 HD1 TYR A 97 5.742 10.425 6.170 1.00 0.00 H new ATOM 0 HD2 TYR A 97 3.380 11.037 2.623 1.00 0.00 H new ATOM 0 HE1 TYR A 97 3.967 11.490 7.543 1.00 0.00 H new ATOM 0 HE2 TYR A 97 1.573 12.034 3.993 1.00 0.00 H new ATOM 0 HH TYR A 97 0.927 12.703 5.997 1.00 0.00 H new ATOM 1474 N GLY A 98 8.260 10.927 1.114 1.00 0.00 N ATOM 1475 CA GLY A 98 9.245 10.470 0.137 1.00 0.00 C ATOM 1476 C GLY A 98 8.765 9.261 -0.678 1.00 0.00 C ATOM 1477 O GLY A 98 7.619 8.823 -0.532 1.00 0.00 O ATOM 0 H GLY A 98 7.801 11.799 0.851 1.00 0.00 H new ATOM 0 HA2 GLY A 98 9.481 11.289 -0.543 1.00 0.00 H new ATOM 0 HA3 GLY A 98 10.168 10.209 0.655 1.00 0.00 H new ATOM 1481 N PRO A 99 9.612 8.720 -1.570 1.00 0.00 N ATOM 1482 CA PRO A 99 9.321 7.481 -2.279 1.00 0.00 C ATOM 1483 C PRO A 99 9.323 6.297 -1.308 1.00 0.00 C ATOM 1484 O PRO A 99 10.157 6.226 -0.400 1.00 0.00 O ATOM 1485 CB PRO A 99 10.434 7.323 -3.320 1.00 0.00 C ATOM 1486 CG PRO A 99 11.606 8.107 -2.727 1.00 0.00 C ATOM 1487 CD PRO A 99 10.934 9.219 -1.921 1.00 0.00 C ATOM 0 HA PRO A 99 8.337 7.508 -2.747 1.00 0.00 H new ATOM 0 HB2 PRO A 99 10.691 6.275 -3.474 1.00 0.00 H new ATOM 0 HB3 PRO A 99 10.135 7.723 -4.289 1.00 0.00 H new ATOM 0 HG2 PRO A 99 12.230 7.476 -2.094 1.00 0.00 H new ATOM 0 HG3 PRO A 99 12.251 8.512 -3.507 1.00 0.00 H new ATOM 0 HD2 PRO A 99 11.511 9.456 -1.027 1.00 0.00 H new ATOM 0 HD3 PRO A 99 10.862 10.136 -2.506 1.00 0.00 H new ATOM 1495 N ALA A 100 8.408 5.350 -1.516 1.00 0.00 N ATOM 1496 CA ALA A 100 8.445 4.071 -0.822 1.00 0.00 C ATOM 1497 C ALA A 100 9.555 3.191 -1.391 1.00 0.00 C ATOM 1498 O ALA A 100 10.169 3.485 -2.420 1.00 0.00 O ATOM 1499 CB ALA A 100 7.139 3.312 -1.060 1.00 0.00 C ATOM 0 H ALA A 100 7.628 5.450 -2.166 1.00 0.00 H new ATOM 0 HA ALA A 100 8.605 4.275 0.237 1.00 0.00 H new ATOM 0 HB1 ALA A 100 7.174 2.356 -0.538 1.00 0.00 H new ATOM 0 HB2 ALA A 100 6.302 3.901 -0.684 1.00 0.00 H new ATOM 0 HB3 ALA A 100 7.009 3.138 -2.128 1.00 0.00 H new ATOM 1505 N GLN A 101 9.750 2.050 -0.735 1.00 0.00 N ATOM 1506 CA GLN A 101 10.546 0.960 -1.208 1.00 0.00 C ATOM 1507 C GLN A 101 9.608 0.211 -2.174 1.00 0.00 C ATOM 1508 O GLN A 101 8.954 -0.766 -1.802 1.00 0.00 O ATOM 1509 CB GLN A 101 10.994 0.181 0.038 1.00 0.00 C ATOM 1510 CG GLN A 101 11.727 -1.074 -0.390 1.00 0.00 C ATOM 1511 CD GLN A 101 12.377 -1.860 0.755 1.00 0.00 C ATOM 1512 OE1 GLN A 101 12.571 -1.369 1.865 1.00 0.00 O ATOM 1513 NE2 GLN A 101 12.735 -3.112 0.512 1.00 0.00 N ATOM 0 H GLN A 101 9.333 1.869 0.178 1.00 0.00 H new ATOM 0 HA GLN A 101 11.462 1.202 -1.748 1.00 0.00 H new ATOM 0 HB2 GLN A 101 11.643 0.802 0.655 1.00 0.00 H new ATOM 0 HB3 GLN A 101 10.129 -0.080 0.648 1.00 0.00 H new ATOM 0 HG2 GLN A 101 11.026 -1.728 -0.909 1.00 0.00 H new ATOM 0 HG3 GLN A 101 12.500 -0.800 -1.108 1.00 0.00 H new ATOM 0 HE21 GLN A 101 12.574 -3.519 -0.409 1.00 0.00 H new ATOM 0 HE22 GLN A 101 13.172 -3.669 1.246 1.00 0.00 H new ATOM 1522 N HIS A 102 9.467 0.728 -3.398 1.00 0.00 N ATOM 1523 CA HIS A 102 8.465 0.275 -4.367 1.00 0.00 C ATOM 1524 C HIS A 102 8.606 -1.201 -4.772 1.00 0.00 C ATOM 1525 O HIS A 102 7.672 -1.769 -5.338 1.00 0.00 O ATOM 1526 CB HIS A 102 8.483 1.195 -5.594 1.00 0.00 C ATOM 1527 CG HIS A 102 7.997 2.588 -5.279 1.00 0.00 C ATOM 1528 ND1 HIS A 102 6.718 2.926 -4.933 1.00 0.00 N flip ATOM 1529 CD2 HIS A 102 8.753 3.738 -5.203 1.00 0.00 C flip ATOM 1530 CE1 HIS A 102 6.684 4.293 -4.647 1.00 0.00 C flip ATOM 1531 NE2 HIS A 102 7.939 4.736 -4.816 1.00 0.00 N flip ATOM 0 H HIS A 102 10.055 1.484 -3.749 1.00 0.00 H new ATOM 0 HA HIS A 102 7.496 0.338 -3.872 1.00 0.00 H new ATOM 0 HB2 HIS A 102 9.497 1.248 -5.989 1.00 0.00 H new ATOM 0 HB3 HIS A 102 7.858 0.764 -6.376 1.00 0.00 H new ATOM 0 HD2 HIS A 102 9.808 3.822 -5.416 1.00 0.00 H new ATOM 0 HE1 HIS A 102 5.823 4.874 -4.350 1.00 0.00 H new ATOM 0 HE2 HIS A 102 8.236 5.701 -4.670 1.00 0.00 H new ATOM 1539 N ALA A 103 9.738 -1.837 -4.454 1.00 0.00 N ATOM 1540 CA ALA A 103 9.939 -3.267 -4.645 1.00 0.00 C ATOM 1541 C ALA A 103 8.931 -4.094 -3.832 1.00 0.00 C ATOM 1542 O ALA A 103 8.482 -5.143 -4.293 1.00 0.00 O ATOM 1543 CB ALA A 103 11.372 -3.628 -4.237 1.00 0.00 C ATOM 0 H ALA A 103 10.547 -1.363 -4.052 1.00 0.00 H new ATOM 0 HA ALA A 103 9.779 -3.503 -5.697 1.00 0.00 H new ATOM 0 HB1 ALA A 103 11.532 -4.697 -4.377 1.00 0.00 H new ATOM 0 HB2 ALA A 103 12.077 -3.072 -4.855 1.00 0.00 H new ATOM 0 HB3 ALA A 103 11.527 -3.372 -3.189 1.00 0.00 H new ATOM 1549 N ILE A 104 8.566 -3.636 -2.626 1.00 0.00 N ATOM 1550 CA ILE A 104 7.571 -4.325 -1.806 1.00 0.00 C ATOM 1551 C ILE A 104 6.230 -4.252 -2.548 1.00 0.00 C ATOM 1552 O ILE A 104 5.526 -5.258 -2.662 1.00 0.00 O ATOM 1553 CB ILE A 104 7.507 -3.703 -0.387 1.00 0.00 C ATOM 1554 CG1 ILE A 104 8.872 -3.799 0.334 1.00 0.00 C ATOM 1555 CG2 ILE A 104 6.428 -4.400 0.465 1.00 0.00 C ATOM 1556 CD1 ILE A 104 8.943 -2.980 1.629 1.00 0.00 C ATOM 0 H ILE A 104 8.947 -2.791 -2.201 1.00 0.00 H new ATOM 0 HA ILE A 104 7.838 -5.372 -1.659 1.00 0.00 H new ATOM 0 HB ILE A 104 7.250 -2.651 -0.506 1.00 0.00 H new ATOM 0 HG12 ILE A 104 9.079 -4.844 0.564 1.00 0.00 H new ATOM 0 HG13 ILE A 104 9.656 -3.460 -0.344 1.00 0.00 H new ATOM 0 HG21 ILE A 104 6.400 -3.949 1.457 1.00 0.00 H new ATOM 0 HG22 ILE A 104 5.456 -4.285 -0.014 1.00 0.00 H new ATOM 0 HG23 ILE A 104 6.665 -5.460 0.556 1.00 0.00 H new ATOM 0 HD11 ILE A 104 9.929 -3.096 2.079 1.00 0.00 H new ATOM 0 HD12 ILE A 104 8.768 -1.928 1.404 1.00 0.00 H new ATOM 0 HD13 ILE A 104 8.183 -3.334 2.325 1.00 0.00 H new ATOM 1568 N SER A 105 5.896 -3.079 -3.088 1.00 0.00 N ATOM 1569 CA SER A 105 4.664 -2.838 -3.813 1.00 0.00 C ATOM 1570 C SER A 105 4.554 -3.771 -5.012 1.00 0.00 C ATOM 1571 O SER A 105 3.515 -4.407 -5.183 1.00 0.00 O ATOM 1572 CB SER A 105 4.603 -1.376 -4.272 1.00 0.00 C ATOM 1573 OG SER A 105 5.308 -0.549 -3.367 1.00 0.00 O ATOM 0 H SER A 105 6.494 -2.255 -3.028 1.00 0.00 H new ATOM 0 HA SER A 105 3.825 -3.037 -3.146 1.00 0.00 H new ATOM 0 HB2 SER A 105 5.031 -1.283 -5.270 1.00 0.00 H new ATOM 0 HB3 SER A 105 3.565 -1.051 -4.339 1.00 0.00 H new ATOM 0 HG SER A 105 4.859 0.320 -3.300 1.00 0.00 H new ATOM 1579 N THR A 106 5.603 -3.888 -5.831 1.00 0.00 N ATOM 1580 CA THR A 106 5.530 -4.722 -7.016 1.00 0.00 C ATOM 1581 C THR A 106 5.391 -6.188 -6.633 1.00 0.00 C ATOM 1582 O THR A 106 4.542 -6.853 -7.215 1.00 0.00 O ATOM 1583 CB THR A 106 6.712 -4.463 -7.959 1.00 0.00 C ATOM 1584 OG1 THR A 106 7.942 -4.418 -7.266 1.00 0.00 O ATOM 1585 CG2 THR A 106 6.512 -3.121 -8.657 1.00 0.00 C ATOM 0 H THR A 106 6.498 -3.419 -5.692 1.00 0.00 H new ATOM 0 HA THR A 106 4.633 -4.452 -7.574 1.00 0.00 H new ATOM 0 HB THR A 106 6.746 -5.284 -8.675 1.00 0.00 H new ATOM 0 HG1 THR A 106 7.833 -4.821 -6.379 1.00 0.00 H new ATOM 0 HG21 THR A 106 7.349 -2.932 -9.329 1.00 0.00 H new ATOM 0 HG22 THR A 106 5.585 -3.144 -9.230 1.00 0.00 H new ATOM 0 HG23 THR A 106 6.458 -2.328 -7.912 1.00 0.00 H new ATOM 1593 N GLU A 107 6.122 -6.695 -5.636 1.00 0.00 N ATOM 1594 CA GLU A 107 5.966 -8.082 -5.202 1.00 0.00 C ATOM 1595 C GLU A 107 4.520 -8.356 -4.763 1.00 0.00 C ATOM 1596 O GLU A 107 3.929 -9.365 -5.157 1.00 0.00 O ATOM 1597 CB GLU A 107 6.959 -8.417 -4.078 1.00 0.00 C ATOM 1598 CG GLU A 107 8.385 -8.613 -4.611 1.00 0.00 C ATOM 1599 CD GLU A 107 9.352 -9.046 -3.493 1.00 0.00 C ATOM 1600 OE1 GLU A 107 9.442 -10.261 -3.202 1.00 0.00 O ATOM 1601 OE2 GLU A 107 10.053 -8.190 -2.908 1.00 0.00 O ATOM 0 H GLU A 107 6.824 -6.167 -5.118 1.00 0.00 H new ATOM 0 HA GLU A 107 6.188 -8.732 -6.049 1.00 0.00 H new ATOM 0 HB2 GLU A 107 6.955 -7.615 -3.340 1.00 0.00 H new ATOM 0 HB3 GLU A 107 6.635 -9.323 -3.566 1.00 0.00 H new ATOM 0 HG2 GLU A 107 8.379 -9.365 -5.400 1.00 0.00 H new ATOM 0 HG3 GLU A 107 8.738 -7.684 -5.059 1.00 0.00 H new ATOM 1608 N LYS A 108 3.921 -7.443 -3.993 1.00 0.00 N ATOM 1609 CA LYS A 108 2.557 -7.613 -3.504 1.00 0.00 C ATOM 1610 C LYS A 108 1.535 -7.515 -4.638 1.00 0.00 C ATOM 1611 O LYS A 108 0.628 -8.342 -4.711 1.00 0.00 O ATOM 1612 CB LYS A 108 2.282 -6.585 -2.398 1.00 0.00 C ATOM 1613 CG LYS A 108 3.037 -6.931 -1.106 1.00 0.00 C ATOM 1614 CD LYS A 108 2.788 -5.876 -0.020 1.00 0.00 C ATOM 1615 CE LYS A 108 3.478 -6.274 1.290 1.00 0.00 C ATOM 1616 NZ LYS A 108 2.716 -7.297 2.041 1.00 0.00 N ATOM 0 H LYS A 108 4.366 -6.575 -3.695 1.00 0.00 H new ATOM 0 HA LYS A 108 2.454 -8.614 -3.085 1.00 0.00 H new ATOM 0 HB2 LYS A 108 2.579 -5.594 -2.740 1.00 0.00 H new ATOM 0 HB3 LYS A 108 1.212 -6.545 -2.195 1.00 0.00 H new ATOM 0 HG2 LYS A 108 2.719 -7.909 -0.746 1.00 0.00 H new ATOM 0 HG3 LYS A 108 4.105 -6.999 -1.313 1.00 0.00 H new ATOM 0 HD2 LYS A 108 3.161 -4.908 -0.354 1.00 0.00 H new ATOM 0 HD3 LYS A 108 1.717 -5.764 0.147 1.00 0.00 H new ATOM 0 HE2 LYS A 108 4.475 -6.656 1.071 1.00 0.00 H new ATOM 0 HE3 LYS A 108 3.605 -5.389 1.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 3.377 -7.960 2.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 2.138 -6.833 2.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 2.097 -7.818 1.388 1.00 0.00 H new ATOM 1630 N ILE A 109 1.663 -6.546 -5.546 1.00 0.00 N ATOM 1631 CA ILE A 109 0.702 -6.371 -6.636 1.00 0.00 C ATOM 1632 C ILE A 109 0.871 -7.513 -7.659 1.00 0.00 C ATOM 1633 O ILE A 109 -0.130 -8.000 -8.184 1.00 0.00 O ATOM 1634 CB ILE A 109 0.806 -4.939 -7.226 1.00 0.00 C ATOM 1635 CG1 ILE A 109 0.479 -3.871 -6.146 1.00 0.00 C ATOM 1636 CG2 ILE A 109 -0.184 -4.734 -8.392 1.00 0.00 C ATOM 1637 CD1 ILE A 109 0.888 -2.448 -6.550 1.00 0.00 C ATOM 0 H ILE A 109 2.425 -5.868 -5.548 1.00 0.00 H new ATOM 0 HA ILE A 109 -0.322 -6.448 -6.269 1.00 0.00 H new ATOM 0 HB ILE A 109 1.830 -4.825 -7.582 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -0.591 -3.889 -5.941 1.00 0.00 H new ATOM 0 HG13 ILE A 109 0.986 -4.137 -5.218 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -0.084 -3.721 -8.781 1.00 0.00 H new ATOM 0 HG22 ILE A 109 0.034 -5.450 -9.185 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -1.203 -4.887 -8.035 1.00 0.00 H new ATOM 0 HD11 ILE A 109 0.630 -1.754 -5.750 1.00 0.00 H new ATOM 0 HD12 ILE A 109 1.963 -2.415 -6.727 1.00 0.00 H new ATOM 0 HD13 ILE A 109 0.362 -2.163 -7.461 1.00 0.00 H new ATOM 1649 N LYS A 110 2.092 -8.021 -7.893 1.00 0.00 N ATOM 1650 CA LYS A 110 2.314 -9.231 -8.695 1.00 0.00 C ATOM 1651 C LYS A 110 1.542 -10.397 -8.082 1.00 0.00 C ATOM 1652 O LYS A 110 0.841 -11.102 -8.805 1.00 0.00 O ATOM 1653 CB LYS A 110 3.812 -9.589 -8.776 1.00 0.00 C ATOM 1654 CG LYS A 110 4.649 -8.718 -9.729 1.00 0.00 C ATOM 1655 CD LYS A 110 6.145 -9.015 -9.530 1.00 0.00 C ATOM 1656 CE LYS A 110 7.018 -8.178 -10.475 1.00 0.00 C ATOM 1657 NZ LYS A 110 8.468 -8.450 -10.296 1.00 0.00 N ATOM 0 H LYS A 110 2.950 -7.604 -7.532 1.00 0.00 H new ATOM 0 HA LYS A 110 1.958 -9.037 -9.707 1.00 0.00 H new ATOM 0 HB2 LYS A 110 4.240 -9.517 -7.776 1.00 0.00 H new ATOM 0 HB3 LYS A 110 3.903 -10.629 -9.088 1.00 0.00 H new ATOM 0 HG2 LYS A 110 4.364 -8.917 -10.762 1.00 0.00 H new ATOM 0 HG3 LYS A 110 4.450 -7.663 -9.541 1.00 0.00 H new ATOM 0 HD2 LYS A 110 6.423 -8.807 -8.497 1.00 0.00 H new ATOM 0 HD3 LYS A 110 6.332 -10.075 -9.704 1.00 0.00 H new ATOM 0 HE2 LYS A 110 6.736 -8.388 -11.507 1.00 0.00 H new ATOM 0 HE3 LYS A 110 6.825 -7.119 -10.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 9.016 -7.861 -10.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 8.745 -8.225 -9.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 8.659 -9.454 -10.488 1.00 0.00 H new ATOM 1786 N VAL A 118 4.260 -6.444 -12.876 1.00 0.00 N ATOM 1787 CA VAL A 118 4.290 -5.094 -12.342 1.00 0.00 C ATOM 1788 C VAL A 118 5.757 -4.688 -12.287 1.00 0.00 C ATOM 1789 O VAL A 118 6.613 -5.520 -11.973 1.00 0.00 O ATOM 1790 CB VAL A 118 3.644 -5.032 -10.937 1.00 0.00 C ATOM 1791 CG1 VAL A 118 3.228 -3.593 -10.600 1.00 0.00 C ATOM 1792 CG2 VAL A 118 2.406 -5.926 -10.757 1.00 0.00 C ATOM 0 HA VAL A 118 3.717 -4.413 -12.971 1.00 0.00 H new ATOM 0 HB VAL A 118 4.418 -5.403 -10.265 1.00 0.00 H new ATOM 0 HG11 VAL A 118 2.776 -3.568 -9.609 1.00 0.00 H new ATOM 0 HG12 VAL A 118 4.106 -2.947 -10.615 1.00 0.00 H new ATOM 0 HG13 VAL A 118 2.506 -3.241 -11.337 1.00 0.00 H new ATOM 0 HG21 VAL A 118 2.023 -5.817 -9.743 1.00 0.00 H new ATOM 0 HG22 VAL A 118 1.636 -5.630 -11.470 1.00 0.00 H new ATOM 0 HG23 VAL A 118 2.680 -6.967 -10.931 1.00 0.00 H new ATOM 1802 N THR A 119 6.047 -3.423 -12.557 1.00 0.00 N ATOM 1803 CA THR A 119 7.391 -2.869 -12.530 1.00 0.00 C ATOM 1804 C THR A 119 7.362 -1.552 -11.755 1.00 0.00 C ATOM 1805 O THR A 119 6.282 -1.027 -11.454 1.00 0.00 O ATOM 1806 CB THR A 119 7.900 -2.704 -13.975 1.00 0.00 C ATOM 1807 OG1 THR A 119 6.924 -2.064 -14.782 1.00 0.00 O ATOM 1808 CG2 THR A 119 8.239 -4.065 -14.587 1.00 0.00 C ATOM 0 H THR A 119 5.335 -2.737 -12.807 1.00 0.00 H new ATOM 0 HA THR A 119 8.086 -3.536 -12.020 1.00 0.00 H new ATOM 0 HB THR A 119 8.799 -2.089 -13.940 1.00 0.00 H new ATOM 0 HG1 THR A 119 6.847 -1.123 -14.518 1.00 0.00 H new ATOM 0 HG21 THR A 119 8.596 -3.926 -15.607 1.00 0.00 H new ATOM 0 HG22 THR A 119 9.015 -4.548 -13.993 1.00 0.00 H new ATOM 0 HG23 THR A 119 7.347 -4.692 -14.597 1.00 0.00 H new ATOM 1816 N TRP A 120 8.539 -1.015 -11.429 1.00 0.00 N ATOM 1817 CA TRP A 120 8.635 0.298 -10.812 1.00 0.00 C ATOM 1818 C TRP A 120 9.803 1.099 -11.367 1.00 0.00 C ATOM 1819 O TRP A 120 10.772 0.539 -11.887 1.00 0.00 O ATOM 1820 CB TRP A 120 8.693 0.211 -9.275 1.00 0.00 C ATOM 1821 CG TRP A 120 9.895 -0.438 -8.657 1.00 0.00 C ATOM 1822 CD1 TRP A 120 10.063 -1.762 -8.442 1.00 0.00 C ATOM 1823 CD2 TRP A 120 11.090 0.201 -8.110 1.00 0.00 C ATOM 1824 NE1 TRP A 120 11.276 -1.988 -7.826 1.00 0.00 N ATOM 1825 CE2 TRP A 120 11.946 -0.811 -7.577 1.00 0.00 C ATOM 1826 CE3 TRP A 120 11.527 1.539 -7.986 1.00 0.00 C ATOM 1827 CZ2 TRP A 120 13.170 -0.511 -6.960 1.00 0.00 C ATOM 1828 CZ3 TRP A 120 12.753 1.851 -7.367 1.00 0.00 C ATOM 1829 CH2 TRP A 120 13.574 0.830 -6.855 1.00 0.00 C ATOM 0 H TRP A 120 9.437 -1.474 -11.584 1.00 0.00 H new ATOM 0 HA TRP A 120 7.721 0.833 -11.070 1.00 0.00 H new ATOM 0 HB2 TRP A 120 8.618 1.224 -8.879 1.00 0.00 H new ATOM 0 HB3 TRP A 120 7.809 -0.330 -8.936 1.00 0.00 H new ATOM 0 HD1 TRP A 120 9.353 -2.529 -8.713 1.00 0.00 H new ATOM 0 HE1 TRP A 120 11.633 -2.913 -7.585 1.00 0.00 H new ATOM 0 HE3 TRP A 120 10.910 2.337 -8.373 1.00 0.00 H new ATOM 0 HZ2 TRP A 120 13.794 -1.302 -6.571 1.00 0.00 H new ATOM 0 HZ3 TRP A 120 13.065 2.882 -7.285 1.00 0.00 H new ATOM 0 HH2 TRP A 120 14.513 1.077 -6.382 1.00 0.00 H new