USER MOD reduce.3.24.130724 H: found=0, std=0, add=613, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 614 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 7 LYS NZ :NH3+ 160:sc= 0 (180deg=-0.235) USER MOD Single : A 8 ASN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 18 THR OG1 : rot 110:sc= 0.934 USER MOD Single : A 20 SER OG : rot 41:sc= 0.355 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= -13! C(o=-13!,f=-13!) USER MOD Single : A 30 ASN : amide:sc= -6.15! C(o=-6.2!,f=-7.9!) USER MOD Single : A 34 THR OG1 : rot 97:sc= 1.09 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= -0.0137 X(o=-0.014,f=-0.02) USER MOD Single : A 50 GLN : amide:sc= -0.0942 K(o=-0.094,f=0.84) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc=-0.00248 X(o=-0.0025,f=0) USER MOD Single : A 60 SER OG : rot 180:sc= 0.0141 USER MOD Single : A 65 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0116) USER MOD Single : A 69 THR OG1 : rot -150:sc= -1.28 USER MOD Single : A 71 ASN : amide:sc= -0.157 K(o=-0.16,f=-1.2) USER MOD Single : A 72 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.00961) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 GLN : amide:sc= -2.79 K(o=-2.8,f=-1.8) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 -2.362 -14.661 5.227 1.00 0.00 N ATOM 2 CA ALA A 2 -1.935 -15.284 6.468 1.00 0.00 C ATOM 3 C ALA A 2 -0.407 -15.334 6.508 1.00 0.00 C ATOM 4 O ALA A 2 0.209 -14.853 7.459 1.00 0.00 O ATOM 5 CB ALA A 2 -2.567 -16.672 6.587 1.00 0.00 C ATOM 0 HA ALA A 2 -2.269 -14.700 7.326 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -2.246 -17.139 7.518 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -3.653 -16.579 6.583 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -2.253 -17.288 5.745 1.00 0.00 H new ATOM 11 N ASP A 3 0.163 -15.920 5.466 1.00 0.00 N ATOM 12 CA ASP A 3 1.608 -16.039 5.370 1.00 0.00 C ATOM 13 C ASP A 3 2.250 -14.695 5.720 1.00 0.00 C ATOM 14 O ASP A 3 1.650 -13.642 5.508 1.00 0.00 O ATOM 15 CB ASP A 3 2.038 -16.413 3.950 1.00 0.00 C ATOM 16 CG ASP A 3 1.760 -17.864 3.551 1.00 0.00 C ATOM 17 OD1 ASP A 3 2.584 -18.723 3.931 1.00 0.00 O ATOM 18 OD2 ASP A 3 0.730 -18.080 2.877 1.00 0.00 O ATOM 0 H ASP A 3 -0.350 -16.318 4.680 1.00 0.00 H new ATOM 0 HA ASP A 3 1.928 -16.819 6.060 1.00 0.00 H new ATOM 0 HB2 ASP A 3 1.528 -15.755 3.247 1.00 0.00 H new ATOM 0 HB3 ASP A 3 3.106 -16.222 3.848 1.00 0.00 H new ATOM 23 N GLU A 4 3.462 -14.775 6.250 1.00 0.00 N ATOM 24 CA GLU A 4 4.191 -13.578 6.633 1.00 0.00 C ATOM 25 C GLU A 4 4.949 -13.013 5.429 1.00 0.00 C ATOM 26 O GLU A 4 5.538 -11.935 5.512 1.00 0.00 O ATOM 27 CB GLU A 4 5.143 -13.864 7.796 1.00 0.00 C ATOM 28 CG GLU A 4 4.823 -12.973 8.997 1.00 0.00 C ATOM 29 CD GLU A 4 3.695 -13.572 9.838 1.00 0.00 C ATOM 30 OE1 GLU A 4 4.018 -14.409 10.709 1.00 0.00 O ATOM 31 OE2 GLU A 4 2.534 -13.179 9.593 1.00 0.00 O ATOM 0 H GLU A 4 3.957 -15.650 6.423 1.00 0.00 H new ATOM 0 HA GLU A 4 3.474 -12.830 6.971 1.00 0.00 H new ATOM 0 HB2 GLU A 4 5.065 -14.912 8.085 1.00 0.00 H new ATOM 0 HB3 GLU A 4 6.172 -13.696 7.478 1.00 0.00 H new ATOM 0 HG2 GLU A 4 5.715 -12.851 9.612 1.00 0.00 H new ATOM 0 HG3 GLU A 4 4.536 -11.980 8.651 1.00 0.00 H new ATOM 38 N ALA A 5 4.911 -13.765 4.340 1.00 0.00 N ATOM 39 CA ALA A 5 5.586 -13.352 3.121 1.00 0.00 C ATOM 40 C ALA A 5 4.775 -12.246 2.443 1.00 0.00 C ATOM 41 O ALA A 5 5.263 -11.586 1.527 1.00 0.00 O ATOM 42 CB ALA A 5 5.790 -14.566 2.213 1.00 0.00 C ATOM 0 H ALA A 5 4.423 -14.658 4.276 1.00 0.00 H new ATOM 0 HA ALA A 5 6.572 -12.946 3.348 1.00 0.00 H new ATOM 0 HB1 ALA A 5 6.296 -14.256 1.299 1.00 0.00 H new ATOM 0 HB2 ALA A 5 6.397 -15.309 2.730 1.00 0.00 H new ATOM 0 HB3 ALA A 5 4.822 -15.000 1.962 1.00 0.00 H new ATOM 48 N ILE A 6 3.551 -12.077 2.919 1.00 0.00 N ATOM 49 CA ILE A 6 2.667 -11.062 2.370 1.00 0.00 C ATOM 50 C ILE A 6 2.827 -9.767 3.168 1.00 0.00 C ATOM 51 O ILE A 6 3.106 -8.713 2.599 1.00 0.00 O ATOM 52 CB ILE A 6 1.228 -11.578 2.316 1.00 0.00 C ATOM 53 CG1 ILE A 6 0.979 -12.379 1.037 1.00 0.00 C ATOM 54 CG2 ILE A 6 0.228 -10.430 2.476 1.00 0.00 C ATOM 55 CD1 ILE A 6 -0.338 -13.154 1.121 1.00 0.00 C ATOM 0 H ILE A 6 3.150 -12.626 3.679 1.00 0.00 H new ATOM 0 HA ILE A 6 2.939 -10.837 1.339 1.00 0.00 H new ATOM 0 HB ILE A 6 1.078 -12.257 3.155 1.00 0.00 H new ATOM 0 HG12 ILE A 6 0.954 -11.705 0.181 1.00 0.00 H new ATOM 0 HG13 ILE A 6 1.803 -13.073 0.872 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -0.788 -10.824 2.434 1.00 0.00 H new ATOM 0 HG22 ILE A 6 0.388 -9.940 3.436 1.00 0.00 H new ATOM 0 HG23 ILE A 6 0.371 -9.708 1.672 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -0.490 -13.714 0.199 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -0.301 -13.845 1.963 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -1.163 -12.455 1.261 1.00 0.00 H new ATOM 67 N LYS A 7 2.644 -9.889 4.475 1.00 0.00 N ATOM 68 CA LYS A 7 2.764 -8.740 5.358 1.00 0.00 C ATOM 69 C LYS A 7 4.138 -8.095 5.162 1.00 0.00 C ATOM 70 O LYS A 7 4.265 -6.872 5.211 1.00 0.00 O ATOM 71 CB LYS A 7 2.476 -9.144 6.805 1.00 0.00 C ATOM 72 CG LYS A 7 1.652 -8.071 7.519 1.00 0.00 C ATOM 73 CD LYS A 7 2.431 -7.474 8.693 1.00 0.00 C ATOM 74 CE LYS A 7 3.698 -6.766 8.208 1.00 0.00 C ATOM 75 NZ LYS A 7 4.190 -5.822 9.236 1.00 0.00 N ATOM 0 H LYS A 7 2.414 -10.765 4.944 1.00 0.00 H new ATOM 0 HA LYS A 7 2.017 -7.986 5.107 1.00 0.00 H new ATOM 0 HB2 LYS A 7 1.938 -10.092 6.822 1.00 0.00 H new ATOM 0 HB3 LYS A 7 3.415 -9.301 7.337 1.00 0.00 H new ATOM 0 HG2 LYS A 7 1.387 -7.282 6.815 1.00 0.00 H new ATOM 0 HG3 LYS A 7 0.719 -8.504 7.879 1.00 0.00 H new ATOM 0 HD2 LYS A 7 1.799 -6.768 9.232 1.00 0.00 H new ATOM 0 HD3 LYS A 7 2.698 -8.263 9.396 1.00 0.00 H new ATOM 0 HE2 LYS A 7 4.470 -7.502 7.983 1.00 0.00 H new ATOM 0 HE3 LYS A 7 3.490 -6.229 7.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 5.193 -5.609 9.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 3.636 -4.943 9.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 4.087 -6.250 10.178 1.00 0.00 H new ATOM 89 N ASN A 8 5.131 -8.944 4.944 1.00 0.00 N ATOM 90 CA ASN A 8 6.490 -8.471 4.741 1.00 0.00 C ATOM 91 C ASN A 8 6.594 -7.807 3.366 1.00 0.00 C ATOM 92 O ASN A 8 7.015 -6.657 3.258 1.00 0.00 O ATOM 93 CB ASN A 8 7.488 -9.630 4.783 1.00 0.00 C ATOM 94 CG ASN A 8 8.859 -9.154 5.268 1.00 0.00 C ATOM 95 OD1 ASN A 8 9.172 -7.975 5.267 1.00 0.00 O ATOM 96 ND2 ASN A 8 9.657 -10.135 5.682 1.00 0.00 N ATOM 0 H ASN A 8 5.022 -9.957 4.903 1.00 0.00 H new ATOM 0 HA ASN A 8 6.724 -7.764 5.537 1.00 0.00 H new ATOM 0 HB2 ASN A 8 7.115 -10.412 5.445 1.00 0.00 H new ATOM 0 HB3 ASN A 8 7.582 -10.070 3.790 1.00 0.00 H new ATOM 0 HD21 ASN A 8 10.593 -9.920 6.025 1.00 0.00 H new ATOM 0 HD22 ASN A 8 9.332 -11.102 5.656 1.00 0.00 H new ATOM 103 N GLY A 9 6.203 -8.561 2.349 1.00 0.00 N ATOM 104 CA GLY A 9 6.247 -8.061 0.985 1.00 0.00 C ATOM 105 C GLY A 9 5.436 -6.771 0.848 1.00 0.00 C ATOM 106 O GLY A 9 5.890 -5.812 0.226 1.00 0.00 O ATOM 0 H GLY A 9 5.854 -9.515 2.442 1.00 0.00 H new ATOM 0 HA2 GLY A 9 7.281 -7.877 0.694 1.00 0.00 H new ATOM 0 HA3 GLY A 9 5.854 -8.816 0.304 1.00 0.00 H new ATOM 110 N VAL A 10 4.252 -6.788 1.442 1.00 0.00 N ATOM 111 CA VAL A 10 3.374 -5.631 1.394 1.00 0.00 C ATOM 112 C VAL A 10 4.100 -4.420 1.984 1.00 0.00 C ATOM 113 O VAL A 10 4.061 -3.330 1.416 1.00 0.00 O ATOM 114 CB VAL A 10 2.057 -5.944 2.106 1.00 0.00 C ATOM 115 CG1 VAL A 10 1.184 -4.692 2.218 1.00 0.00 C ATOM 116 CG2 VAL A 10 1.307 -7.075 1.401 1.00 0.00 C ATOM 0 H VAL A 10 3.880 -7.585 1.959 1.00 0.00 H new ATOM 0 HA VAL A 10 3.120 -5.387 0.363 1.00 0.00 H new ATOM 0 HB VAL A 10 2.293 -6.279 3.116 1.00 0.00 H new ATOM 0 HG11 VAL A 10 0.254 -4.942 2.728 1.00 0.00 H new ATOM 0 HG12 VAL A 10 1.715 -3.928 2.785 1.00 0.00 H new ATOM 0 HG13 VAL A 10 0.961 -4.314 1.220 1.00 0.00 H new ATOM 0 HG21 VAL A 10 0.374 -7.277 1.928 1.00 0.00 H new ATOM 0 HG22 VAL A 10 1.087 -6.782 0.374 1.00 0.00 H new ATOM 0 HG23 VAL A 10 1.924 -7.974 1.397 1.00 0.00 H new ATOM 126 N LEU A 11 4.746 -4.653 3.117 1.00 0.00 N ATOM 127 CA LEU A 11 5.480 -3.595 3.791 1.00 0.00 C ATOM 128 C LEU A 11 6.713 -3.228 2.963 1.00 0.00 C ATOM 129 O LEU A 11 7.012 -2.050 2.777 1.00 0.00 O ATOM 130 CB LEU A 11 5.805 -4.002 5.230 1.00 0.00 C ATOM 131 CG LEU A 11 5.578 -2.929 6.298 1.00 0.00 C ATOM 132 CD1 LEU A 11 6.502 -3.144 7.497 1.00 0.00 C ATOM 133 CD2 LEU A 11 5.726 -1.526 5.705 1.00 0.00 C ATOM 0 H LEU A 11 4.777 -5.559 3.585 1.00 0.00 H new ATOM 0 HA LEU A 11 4.868 -2.696 3.868 1.00 0.00 H new ATOM 0 HB2 LEU A 11 5.202 -4.874 5.485 1.00 0.00 H new ATOM 0 HB3 LEU A 11 6.849 -4.313 5.272 1.00 0.00 H new ATOM 0 HG LEU A 11 4.554 -3.020 6.661 1.00 0.00 H new ATOM 0 HD11 LEU A 11 6.320 -2.368 8.240 1.00 0.00 H new ATOM 0 HD12 LEU A 11 6.305 -4.122 7.937 1.00 0.00 H new ATOM 0 HD13 LEU A 11 7.540 -3.096 7.169 1.00 0.00 H new ATOM 0 HD21 LEU A 11 5.560 -0.782 6.484 1.00 0.00 H new ATOM 0 HD22 LEU A 11 6.730 -1.407 5.298 1.00 0.00 H new ATOM 0 HD23 LEU A 11 4.993 -1.388 4.910 1.00 0.00 H new ATOM 145 N ASP A 12 7.395 -4.260 2.487 1.00 0.00 N ATOM 146 CA ASP A 12 8.589 -4.060 1.683 1.00 0.00 C ATOM 147 C ASP A 12 8.223 -3.272 0.423 1.00 0.00 C ATOM 148 O ASP A 12 8.863 -2.270 0.106 1.00 0.00 O ATOM 149 CB ASP A 12 9.188 -5.398 1.246 1.00 0.00 C ATOM 150 CG ASP A 12 10.717 -5.431 1.179 1.00 0.00 C ATOM 151 OD1 ASP A 12 11.254 -4.866 0.202 1.00 0.00 O ATOM 152 OD2 ASP A 12 11.313 -6.020 2.107 1.00 0.00 O ATOM 0 H ASP A 12 7.144 -5.236 2.643 1.00 0.00 H new ATOM 0 HA ASP A 12 9.317 -3.519 2.288 1.00 0.00 H new ATOM 0 HB2 ASP A 12 8.853 -6.172 1.937 1.00 0.00 H new ATOM 0 HB3 ASP A 12 8.791 -5.653 0.264 1.00 0.00 H new ATOM 157 N ILE A 13 7.196 -3.754 -0.261 1.00 0.00 N ATOM 158 CA ILE A 13 6.739 -3.107 -1.479 1.00 0.00 C ATOM 159 C ILE A 13 6.298 -1.678 -1.157 1.00 0.00 C ATOM 160 O ILE A 13 6.245 -0.826 -2.043 1.00 0.00 O ATOM 161 CB ILE A 13 5.655 -3.947 -2.157 1.00 0.00 C ATOM 162 CG1 ILE A 13 6.270 -4.950 -3.135 1.00 0.00 C ATOM 163 CG2 ILE A 13 4.612 -3.055 -2.833 1.00 0.00 C ATOM 164 CD1 ILE A 13 5.546 -6.297 -3.067 1.00 0.00 C ATOM 0 H ILE A 13 6.667 -4.585 0.005 1.00 0.00 H new ATOM 0 HA ILE A 13 7.552 -3.035 -2.201 1.00 0.00 H new ATOM 0 HB ILE A 13 5.138 -4.521 -1.388 1.00 0.00 H new ATOM 0 HG12 ILE A 13 6.215 -4.555 -4.149 1.00 0.00 H new ATOM 0 HG13 ILE A 13 7.326 -5.089 -2.903 1.00 0.00 H new ATOM 0 HG21 ILE A 13 3.853 -3.678 -3.307 1.00 0.00 H new ATOM 0 HG22 ILE A 13 4.142 -2.415 -2.086 1.00 0.00 H new ATOM 0 HG23 ILE A 13 5.097 -2.436 -3.588 1.00 0.00 H new ATOM 0 HD11 ILE A 13 6.003 -6.992 -3.772 1.00 0.00 H new ATOM 0 HD12 ILE A 13 5.623 -6.701 -2.058 1.00 0.00 H new ATOM 0 HD13 ILE A 13 4.496 -6.159 -3.323 1.00 0.00 H new ATOM 176 N LEU A 14 5.991 -1.459 0.113 1.00 0.00 N ATOM 177 CA LEU A 14 5.556 -0.148 0.563 1.00 0.00 C ATOM 178 C LEU A 14 6.781 0.721 0.850 1.00 0.00 C ATOM 179 O LEU A 14 7.021 1.711 0.160 1.00 0.00 O ATOM 180 CB LEU A 14 4.602 -0.279 1.753 1.00 0.00 C ATOM 181 CG LEU A 14 3.163 -0.676 1.418 1.00 0.00 C ATOM 182 CD1 LEU A 14 2.476 -1.317 2.625 1.00 0.00 C ATOM 183 CD2 LEU A 14 2.376 0.520 0.879 1.00 0.00 C ATOM 0 H LEU A 14 6.035 -2.168 0.845 1.00 0.00 H new ATOM 0 HA LEU A 14 4.986 0.353 -0.219 1.00 0.00 H new ATOM 0 HB2 LEU A 14 5.011 -1.018 2.442 1.00 0.00 H new ATOM 0 HB3 LEU A 14 4.581 0.673 2.283 1.00 0.00 H new ATOM 0 HG LEU A 14 3.191 -1.426 0.628 1.00 0.00 H new ATOM 0 HD11 LEU A 14 1.455 -1.590 2.360 1.00 0.00 H new ATOM 0 HD12 LEU A 14 3.024 -2.210 2.924 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.459 -0.608 3.453 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.356 0.211 0.649 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.355 1.310 1.630 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.855 0.893 -0.026 1.00 0.00 H new ATOM 195 N ALA A 15 7.526 0.320 1.870 1.00 0.00 N ATOM 196 CA ALA A 15 8.722 1.048 2.257 1.00 0.00 C ATOM 197 C ALA A 15 9.509 1.432 1.002 1.00 0.00 C ATOM 198 O ALA A 15 9.933 2.577 0.856 1.00 0.00 O ATOM 199 CB ALA A 15 9.547 0.199 3.226 1.00 0.00 C ATOM 0 H ALA A 15 7.324 -0.501 2.441 1.00 0.00 H new ATOM 0 HA ALA A 15 8.458 1.970 2.776 1.00 0.00 H new ATOM 0 HB1 ALA A 15 10.444 0.746 3.516 1.00 0.00 H new ATOM 0 HB2 ALA A 15 8.953 -0.021 4.113 1.00 0.00 H new ATOM 0 HB3 ALA A 15 9.832 -0.734 2.740 1.00 0.00 H new ATOM 205 N ASP A 16 9.681 0.451 0.128 1.00 0.00 N ATOM 206 CA ASP A 16 10.410 0.671 -1.110 1.00 0.00 C ATOM 207 C ASP A 16 9.696 1.744 -1.933 1.00 0.00 C ATOM 208 O ASP A 16 10.340 2.617 -2.512 1.00 0.00 O ATOM 209 CB ASP A 16 10.468 -0.607 -1.948 1.00 0.00 C ATOM 210 CG ASP A 16 11.755 -0.794 -2.754 1.00 0.00 C ATOM 211 OD1 ASP A 16 12.796 -1.046 -2.110 1.00 0.00 O ATOM 212 OD2 ASP A 16 11.669 -0.679 -3.996 1.00 0.00 O ATOM 0 H ASP A 16 9.328 -0.498 0.252 1.00 0.00 H new ATOM 0 HA ASP A 16 11.423 0.982 -0.855 1.00 0.00 H new ATOM 0 HB2 ASP A 16 10.344 -1.464 -1.286 1.00 0.00 H new ATOM 0 HB3 ASP A 16 9.622 -0.611 -2.636 1.00 0.00 H new ATOM 217 N LEU A 17 8.375 1.646 -1.957 1.00 0.00 N ATOM 218 CA LEU A 17 7.566 2.598 -2.700 1.00 0.00 C ATOM 219 C LEU A 17 7.949 4.020 -2.283 1.00 0.00 C ATOM 220 O LEU A 17 8.307 4.842 -3.125 1.00 0.00 O ATOM 221 CB LEU A 17 6.078 2.287 -2.528 1.00 0.00 C ATOM 222 CG LEU A 17 5.262 2.183 -3.818 1.00 0.00 C ATOM 223 CD1 LEU A 17 5.411 0.797 -4.450 1.00 0.00 C ATOM 224 CD2 LEU A 17 3.797 2.544 -3.569 1.00 0.00 C ATOM 0 H LEU A 17 7.844 0.921 -1.474 1.00 0.00 H new ATOM 0 HA LEU A 17 7.764 2.514 -3.769 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.984 1.347 -1.985 1.00 0.00 H new ATOM 0 HB3 LEU A 17 5.635 3.062 -1.903 1.00 0.00 H new ATOM 0 HG LEU A 17 5.656 2.907 -4.532 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.821 0.749 -5.365 1.00 0.00 H new ATOM 0 HD12 LEU A 17 6.460 0.615 -4.684 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.058 0.039 -3.751 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.239 2.462 -4.502 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.374 1.861 -2.832 1.00 0.00 H new ATOM 0 HD23 LEU A 17 3.732 3.566 -3.196 1.00 0.00 H new ATOM 236 N THR A 18 7.862 4.265 -0.983 1.00 0.00 N ATOM 237 CA THR A 18 8.195 5.573 -0.445 1.00 0.00 C ATOM 238 C THR A 18 9.683 5.869 -0.645 1.00 0.00 C ATOM 239 O THR A 18 10.072 7.024 -0.814 1.00 0.00 O ATOM 240 CB THR A 18 7.762 5.604 1.022 1.00 0.00 C ATOM 241 OG1 THR A 18 8.698 4.754 1.679 1.00 0.00 O ATOM 242 CG2 THR A 18 6.413 4.918 1.249 1.00 0.00 C ATOM 0 H THR A 18 7.566 3.580 -0.288 1.00 0.00 H new ATOM 0 HA THR A 18 7.664 6.365 -0.973 1.00 0.00 H new ATOM 0 HB THR A 18 7.705 6.638 1.361 1.00 0.00 H new ATOM 0 HG1 THR A 18 9.290 5.294 2.244 1.00 0.00 H new ATOM 0 HG21 THR A 18 6.153 4.968 2.306 1.00 0.00 H new ATOM 0 HG22 THR A 18 5.645 5.422 0.662 1.00 0.00 H new ATOM 0 HG23 THR A 18 6.479 3.875 0.941 1.00 0.00 H new ATOM 250 N GLY A 19 10.474 4.807 -0.621 1.00 0.00 N ATOM 251 CA GLY A 19 11.909 4.939 -0.798 1.00 0.00 C ATOM 252 C GLY A 19 12.618 5.074 0.551 1.00 0.00 C ATOM 253 O GLY A 19 13.759 5.531 0.614 1.00 0.00 O ATOM 0 H GLY A 19 10.148 3.851 -0.482 1.00 0.00 H new ATOM 0 HA2 GLY A 19 12.295 4.069 -1.330 1.00 0.00 H new ATOM 0 HA3 GLY A 19 12.124 5.812 -1.415 1.00 0.00 H new ATOM 257 N SER A 20 11.913 4.669 1.597 1.00 0.00 N ATOM 258 CA SER A 20 12.460 4.740 2.941 1.00 0.00 C ATOM 259 C SER A 20 11.665 3.829 3.878 1.00 0.00 C ATOM 260 O SER A 20 10.703 3.189 3.458 1.00 0.00 O ATOM 261 CB SER A 20 12.450 6.178 3.465 1.00 0.00 C ATOM 262 OG SER A 20 13.699 6.831 3.254 1.00 0.00 O ATOM 0 H SER A 20 10.968 4.290 1.541 1.00 0.00 H new ATOM 0 HA SER A 20 13.496 4.401 2.907 1.00 0.00 H new ATOM 0 HB2 SER A 20 11.659 6.739 2.968 1.00 0.00 H new ATOM 0 HB3 SER A 20 12.218 6.174 4.530 1.00 0.00 H new ATOM 0 HG SER A 20 14.047 6.593 2.369 1.00 0.00 H new ATOM 268 N ASP A 21 12.097 3.801 5.131 1.00 0.00 N ATOM 269 CA ASP A 21 11.438 2.978 6.131 1.00 0.00 C ATOM 270 C ASP A 21 10.372 3.810 6.847 1.00 0.00 C ATOM 271 O ASP A 21 10.066 3.563 8.013 1.00 0.00 O ATOM 272 CB ASP A 21 12.435 2.482 7.180 1.00 0.00 C ATOM 273 CG ASP A 21 12.843 1.013 7.041 1.00 0.00 C ATOM 274 OD1 ASP A 21 12.655 0.475 5.929 1.00 0.00 O ATOM 275 OD2 ASP A 21 13.331 0.463 8.051 1.00 0.00 O ATOM 0 H ASP A 21 12.895 4.335 5.476 1.00 0.00 H new ATOM 0 HA ASP A 21 10.993 2.122 5.624 1.00 0.00 H new ATOM 0 HB2 ASP A 21 13.332 3.099 7.127 1.00 0.00 H new ATOM 0 HB3 ASP A 21 12.003 2.631 8.169 1.00 0.00 H new ATOM 280 N ASP A 22 9.836 4.780 6.120 1.00 0.00 N ATOM 281 CA ASP A 22 8.812 5.650 6.672 1.00 0.00 C ATOM 282 C ASP A 22 7.581 4.816 7.033 1.00 0.00 C ATOM 283 O ASP A 22 6.963 5.035 8.073 1.00 0.00 O ATOM 284 CB ASP A 22 8.384 6.710 5.655 1.00 0.00 C ATOM 285 CG ASP A 22 9.420 7.025 4.574 1.00 0.00 C ATOM 286 OD1 ASP A 22 9.432 6.284 3.567 1.00 0.00 O ATOM 287 OD2 ASP A 22 10.176 7.999 4.778 1.00 0.00 O ATOM 0 H ASP A 22 10.092 4.982 5.154 1.00 0.00 H new ATOM 0 HA ASP A 22 9.225 6.141 7.553 1.00 0.00 H new ATOM 0 HB2 ASP A 22 7.466 6.378 5.171 1.00 0.00 H new ATOM 0 HB3 ASP A 22 8.148 7.630 6.189 1.00 0.00 H new ATOM 292 N VAL A 23 7.263 3.879 6.153 1.00 0.00 N ATOM 293 CA VAL A 23 6.117 3.012 6.366 1.00 0.00 C ATOM 294 C VAL A 23 6.569 1.744 7.095 1.00 0.00 C ATOM 295 O VAL A 23 5.744 0.988 7.604 1.00 0.00 O ATOM 296 CB VAL A 23 5.426 2.719 5.032 1.00 0.00 C ATOM 297 CG1 VAL A 23 6.381 2.016 4.064 1.00 0.00 C ATOM 298 CG2 VAL A 23 4.154 1.896 5.241 1.00 0.00 C ATOM 0 H VAL A 23 7.779 3.701 5.291 1.00 0.00 H new ATOM 0 HA VAL A 23 5.379 3.505 6.998 1.00 0.00 H new ATOM 0 HB VAL A 23 5.138 3.672 4.588 1.00 0.00 H new ATOM 0 HG11 VAL A 23 5.866 1.819 3.124 1.00 0.00 H new ATOM 0 HG12 VAL A 23 7.245 2.654 3.878 1.00 0.00 H new ATOM 0 HG13 VAL A 23 6.713 1.074 4.500 1.00 0.00 H new ATOM 0 HG21 VAL A 23 3.683 1.702 4.277 1.00 0.00 H new ATOM 0 HG22 VAL A 23 4.408 0.949 5.718 1.00 0.00 H new ATOM 0 HG23 VAL A 23 3.463 2.449 5.877 1.00 0.00 H new ATOM 308 N LYS A 24 7.880 1.552 7.121 1.00 0.00 N ATOM 309 CA LYS A 24 8.453 0.390 7.780 1.00 0.00 C ATOM 310 C LYS A 24 8.280 0.530 9.293 1.00 0.00 C ATOM 311 O LYS A 24 8.590 -0.393 10.045 1.00 0.00 O ATOM 312 CB LYS A 24 9.905 0.188 7.343 1.00 0.00 C ATOM 313 CG LYS A 24 10.420 -1.188 7.770 1.00 0.00 C ATOM 314 CD LYS A 24 11.049 -1.129 9.164 1.00 0.00 C ATOM 315 CE LYS A 24 10.627 -2.334 10.006 1.00 0.00 C ATOM 316 NZ LYS A 24 11.342 -3.552 9.564 1.00 0.00 N ATOM 0 H LYS A 24 8.562 2.181 6.697 1.00 0.00 H new ATOM 0 HA LYS A 24 7.926 -0.516 7.481 1.00 0.00 H new ATOM 0 HB2 LYS A 24 9.980 0.288 6.260 1.00 0.00 H new ATOM 0 HB3 LYS A 24 10.531 0.966 7.779 1.00 0.00 H new ATOM 0 HG2 LYS A 24 9.599 -1.905 7.768 1.00 0.00 H new ATOM 0 HG3 LYS A 24 11.156 -1.545 7.050 1.00 0.00 H new ATOM 0 HD2 LYS A 24 12.135 -1.104 9.076 1.00 0.00 H new ATOM 0 HD3 LYS A 24 10.749 -0.208 9.664 1.00 0.00 H new ATOM 0 HE2 LYS A 24 10.839 -2.142 11.058 1.00 0.00 H new ATOM 0 HE3 LYS A 24 9.551 -2.486 9.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 11.043 -4.360 10.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 11.119 -3.743 8.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 12.367 -3.410 9.668 1.00 0.00 H new ATOM 330 N LYS A 25 7.785 1.691 9.696 1.00 0.00 N ATOM 331 CA LYS A 25 7.567 1.963 11.106 1.00 0.00 C ATOM 332 C LYS A 25 6.083 2.253 11.341 1.00 0.00 C ATOM 333 O LYS A 25 5.339 1.379 11.783 1.00 0.00 O ATOM 334 CB LYS A 25 8.496 3.081 11.586 1.00 0.00 C ATOM 335 CG LYS A 25 8.617 4.184 10.532 1.00 0.00 C ATOM 336 CD LYS A 25 8.324 5.557 11.140 1.00 0.00 C ATOM 337 CE LYS A 25 9.547 6.102 11.880 1.00 0.00 C ATOM 338 NZ LYS A 25 9.275 6.196 13.331 1.00 0.00 N ATOM 0 H LYS A 25 7.529 2.454 9.070 1.00 0.00 H new ATOM 0 HA LYS A 25 7.821 1.089 11.707 1.00 0.00 H new ATOM 0 HB2 LYS A 25 8.114 3.502 12.516 1.00 0.00 H new ATOM 0 HB3 LYS A 25 9.482 2.671 11.803 1.00 0.00 H new ATOM 0 HG2 LYS A 25 9.621 4.177 10.107 1.00 0.00 H new ATOM 0 HG3 LYS A 25 7.923 3.989 9.714 1.00 0.00 H new ATOM 0 HD2 LYS A 25 8.031 6.252 10.353 1.00 0.00 H new ATOM 0 HD3 LYS A 25 7.482 5.482 11.828 1.00 0.00 H new ATOM 0 HE2 LYS A 25 10.404 5.452 11.706 1.00 0.00 H new ATOM 0 HE3 LYS A 25 9.808 7.085 11.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 10.115 6.568 13.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 8.470 6.835 13.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 9.048 5.252 13.704 1.00 0.00 H new ATOM 352 N ASN A 26 5.698 3.484 11.037 1.00 0.00 N ATOM 353 CA ASN A 26 4.317 3.900 11.210 1.00 0.00 C ATOM 354 C ASN A 26 3.418 3.063 10.297 1.00 0.00 C ATOM 355 O ASN A 26 3.758 2.818 9.141 1.00 0.00 O ATOM 356 CB ASN A 26 4.133 5.371 10.833 1.00 0.00 C ATOM 357 CG ASN A 26 4.964 5.729 9.600 1.00 0.00 C ATOM 358 OD1 ASN A 26 5.935 6.467 9.666 1.00 0.00 O ATOM 359 ND2 ASN A 26 4.533 5.168 8.475 1.00 0.00 N ATOM 0 H ASN A 26 6.319 4.206 10.672 1.00 0.00 H new ATOM 0 HA ASN A 26 4.052 3.760 12.258 1.00 0.00 H new ATOM 0 HB2 ASN A 26 3.080 5.571 10.636 1.00 0.00 H new ATOM 0 HB3 ASN A 26 4.427 6.004 11.670 1.00 0.00 H new ATOM 0 HD21 ASN A 26 5.021 5.345 7.597 1.00 0.00 H new ATOM 0 HD22 ASN A 26 3.714 4.560 8.489 1.00 0.00 H new ATOM 366 N LEU A 27 2.289 2.647 10.853 1.00 0.00 N ATOM 367 CA LEU A 27 1.339 1.842 10.103 1.00 0.00 C ATOM 368 C LEU A 27 0.060 2.650 9.876 1.00 0.00 C ATOM 369 O LEU A 27 -1.038 2.095 9.884 1.00 0.00 O ATOM 370 CB LEU A 27 1.105 0.501 10.801 1.00 0.00 C ATOM 371 CG LEU A 27 2.357 -0.321 11.113 1.00 0.00 C ATOM 372 CD1 LEU A 27 2.208 -1.064 12.442 1.00 0.00 C ATOM 373 CD2 LEU A 27 2.691 -1.270 9.960 1.00 0.00 C ATOM 0 H LEU A 27 2.011 2.852 11.813 1.00 0.00 H new ATOM 0 HA LEU A 27 1.740 1.597 9.119 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.575 0.688 11.735 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.446 -0.101 10.176 1.00 0.00 H new ATOM 0 HG LEU A 27 3.198 0.364 11.220 1.00 0.00 H new ATOM 0 HD11 LEU A 27 3.112 -1.641 12.640 1.00 0.00 H new ATOM 0 HD12 LEU A 27 2.053 -0.344 13.246 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.353 -1.737 12.388 1.00 0.00 H new ATOM 0 HD21 LEU A 27 3.585 -1.842 10.207 1.00 0.00 H new ATOM 0 HD22 LEU A 27 1.857 -1.952 9.797 1.00 0.00 H new ATOM 0 HD23 LEU A 27 2.870 -0.692 9.053 1.00 0.00 H new ATOM 385 N ASP A 28 0.244 3.947 9.682 1.00 0.00 N ATOM 386 CA ASP A 28 -0.882 4.837 9.454 1.00 0.00 C ATOM 387 C ASP A 28 -0.366 6.189 8.961 1.00 0.00 C ATOM 388 O ASP A 28 -0.966 7.227 9.240 1.00 0.00 O ATOM 389 CB ASP A 28 -1.668 5.073 10.746 1.00 0.00 C ATOM 390 CG ASP A 28 -3.154 4.719 10.673 1.00 0.00 C ATOM 391 OD1 ASP A 28 -3.507 3.934 9.765 1.00 0.00 O ATOM 392 OD2 ASP A 28 -3.904 5.240 11.526 1.00 0.00 O ATOM 0 H ASP A 28 1.156 4.404 9.678 1.00 0.00 H new ATOM 0 HA ASP A 28 -1.535 4.373 8.715 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -1.210 4.489 11.544 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -1.573 6.123 11.024 1.00 0.00 H new ATOM 397 N LEU A 29 0.743 6.136 8.237 1.00 0.00 N ATOM 398 CA LEU A 29 1.346 7.344 7.702 1.00 0.00 C ATOM 399 C LEU A 29 0.751 7.640 6.324 1.00 0.00 C ATOM 400 O LEU A 29 1.199 7.092 5.318 1.00 0.00 O ATOM 401 CB LEU A 29 2.872 7.226 7.700 1.00 0.00 C ATOM 402 CG LEU A 29 3.638 8.437 7.166 1.00 0.00 C ATOM 403 CD1 LEU A 29 3.574 9.605 8.152 1.00 0.00 C ATOM 404 CD2 LEU A 29 5.080 8.063 6.814 1.00 0.00 C ATOM 0 H LEU A 29 1.239 5.275 8.009 1.00 0.00 H new ATOM 0 HA LEU A 29 1.116 8.198 8.339 1.00 0.00 H new ATOM 0 HB2 LEU A 29 3.203 7.033 8.720 1.00 0.00 H new ATOM 0 HB3 LEU A 29 3.148 6.355 7.105 1.00 0.00 H new ATOM 0 HG LEU A 29 3.157 8.766 6.245 1.00 0.00 H new ATOM 0 HD11 LEU A 29 4.127 10.453 7.748 1.00 0.00 H new ATOM 0 HD12 LEU A 29 2.534 9.891 8.310 1.00 0.00 H new ATOM 0 HD13 LEU A 29 4.016 9.304 9.102 1.00 0.00 H new ATOM 0 HD21 LEU A 29 5.602 8.942 6.437 1.00 0.00 H new ATOM 0 HD22 LEU A 29 5.588 7.694 7.705 1.00 0.00 H new ATOM 0 HD23 LEU A 29 5.078 7.286 6.049 1.00 0.00 H new ATOM 416 N ASN A 30 -0.251 8.508 6.321 1.00 0.00 N ATOM 417 CA ASN A 30 -0.913 8.883 5.084 1.00 0.00 C ATOM 418 C ASN A 30 0.133 9.035 3.977 1.00 0.00 C ATOM 419 O ASN A 30 0.776 10.077 3.865 1.00 0.00 O ATOM 420 CB ASN A 30 -1.641 10.221 5.232 1.00 0.00 C ATOM 421 CG ASN A 30 -3.158 10.025 5.201 1.00 0.00 C ATOM 422 OD1 ASN A 30 -3.864 10.579 4.373 1.00 0.00 O ATOM 423 ND2 ASN A 30 -3.618 9.209 6.144 1.00 0.00 N ATOM 0 H ASN A 30 -0.620 8.962 7.157 1.00 0.00 H new ATOM 0 HA ASN A 30 -1.635 8.104 4.839 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -1.351 10.695 6.170 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -1.341 10.893 4.428 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -4.617 9.013 6.206 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -2.972 8.778 6.805 1.00 0.00 H new ATOM 430 N LEU A 31 0.270 7.980 3.188 1.00 0.00 N ATOM 431 CA LEU A 31 1.226 7.983 2.094 1.00 0.00 C ATOM 432 C LEU A 31 0.900 9.133 1.140 1.00 0.00 C ATOM 433 O LEU A 31 1.755 9.567 0.370 1.00 0.00 O ATOM 434 CB LEU A 31 1.268 6.612 1.415 1.00 0.00 C ATOM 435 CG LEU A 31 1.292 5.401 2.349 1.00 0.00 C ATOM 436 CD1 LEU A 31 0.177 4.415 1.997 1.00 0.00 C ATOM 437 CD2 LEU A 31 2.669 4.734 2.348 1.00 0.00 C ATOM 0 H LEU A 31 -0.265 7.117 3.284 1.00 0.00 H new ATOM 0 HA LEU A 31 2.234 8.157 2.470 1.00 0.00 H new ATOM 0 HB2 LEU A 31 0.399 6.525 0.762 1.00 0.00 H new ATOM 0 HB3 LEU A 31 2.151 6.571 0.777 1.00 0.00 H new ATOM 0 HG LEU A 31 1.105 5.750 3.365 1.00 0.00 H new ATOM 0 HD11 LEU A 31 0.217 3.563 2.676 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.790 4.910 2.092 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.308 4.068 0.972 1.00 0.00 H new ATOM 0 HD21 LEU A 31 2.658 3.876 3.020 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.911 4.401 1.339 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.420 5.449 2.684 1.00 0.00 H new ATOM 449 N PHE A 32 -0.341 9.593 1.220 1.00 0.00 N ATOM 450 CA PHE A 32 -0.790 10.683 0.373 1.00 0.00 C ATOM 451 C PHE A 32 -0.540 12.036 1.043 1.00 0.00 C ATOM 452 O PHE A 32 0.158 12.886 0.491 1.00 0.00 O ATOM 453 CB PHE A 32 -2.296 10.499 0.169 1.00 0.00 C ATOM 454 CG PHE A 32 -2.684 10.068 -1.247 1.00 0.00 C ATOM 455 CD1 PHE A 32 -2.755 10.990 -2.243 1.00 0.00 C ATOM 456 CD2 PHE A 32 -2.957 8.761 -1.508 1.00 0.00 C ATOM 457 CE1 PHE A 32 -3.115 10.589 -3.557 1.00 0.00 C ATOM 458 CE2 PHE A 32 -3.316 8.361 -2.822 1.00 0.00 C ATOM 459 CZ PHE A 32 -3.388 9.283 -3.819 1.00 0.00 C ATOM 0 H PHE A 32 -1.048 9.230 1.859 1.00 0.00 H new ATOM 0 HA PHE A 32 -0.246 10.669 -0.572 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -2.660 9.754 0.877 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -2.801 11.436 0.404 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -2.538 12.027 -2.035 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -2.901 8.028 -0.716 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -3.172 11.322 -4.348 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -3.532 7.323 -3.030 1.00 0.00 H new ATOM 0 HZ PHE A 32 -3.662 8.978 -4.818 1.00 0.00 H new ATOM 469 N GLU A 33 -1.124 12.195 2.221 1.00 0.00 N ATOM 470 CA GLU A 33 -0.974 13.430 2.971 1.00 0.00 C ATOM 471 C GLU A 33 0.488 13.627 3.381 1.00 0.00 C ATOM 472 O GLU A 33 0.870 14.709 3.824 1.00 0.00 O ATOM 473 CB GLU A 33 -1.893 13.445 4.194 1.00 0.00 C ATOM 474 CG GLU A 33 -2.511 14.829 4.399 1.00 0.00 C ATOM 475 CD GLU A 33 -2.998 15.004 5.839 1.00 0.00 C ATOM 476 OE1 GLU A 33 -4.128 14.549 6.116 1.00 0.00 O ATOM 477 OE2 GLU A 33 -2.228 15.590 6.631 1.00 0.00 O ATOM 0 H GLU A 33 -1.703 11.488 2.675 1.00 0.00 H new ATOM 0 HA GLU A 33 -1.267 14.260 2.328 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -2.683 12.705 4.068 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -1.328 13.160 5.081 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -1.775 15.598 4.164 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -3.345 14.965 3.710 1.00 0.00 H new ATOM 484 N THR A 34 1.263 12.565 3.218 1.00 0.00 N ATOM 485 CA THR A 34 2.673 12.608 3.565 1.00 0.00 C ATOM 486 C THR A 34 3.521 12.878 2.321 1.00 0.00 C ATOM 487 O THR A 34 4.699 13.216 2.430 1.00 0.00 O ATOM 488 CB THR A 34 3.026 11.296 4.269 1.00 0.00 C ATOM 489 OG1 THR A 34 2.159 11.263 5.398 1.00 0.00 O ATOM 490 CG2 THR A 34 4.430 11.317 4.877 1.00 0.00 C ATOM 0 H THR A 34 0.941 11.670 2.850 1.00 0.00 H new ATOM 0 HA THR A 34 2.887 13.429 4.249 1.00 0.00 H new ATOM 0 HB THR A 34 2.950 10.472 3.559 1.00 0.00 H new ATOM 0 HG1 THR A 34 1.370 10.721 5.189 1.00 0.00 H new ATOM 0 HG21 THR A 34 4.630 10.363 5.364 1.00 0.00 H new ATOM 0 HG22 THR A 34 5.165 11.483 4.090 1.00 0.00 H new ATOM 0 HG23 THR A 34 4.497 12.120 5.611 1.00 0.00 H new ATOM 498 N GLY A 35 2.889 12.721 1.168 1.00 0.00 N ATOM 499 CA GLY A 35 3.570 12.944 -0.097 1.00 0.00 C ATOM 500 C GLY A 35 4.384 11.715 -0.504 1.00 0.00 C ATOM 501 O GLY A 35 4.911 11.656 -1.614 1.00 0.00 O ATOM 0 H GLY A 35 1.912 12.442 1.082 1.00 0.00 H new ATOM 0 HA2 GLY A 35 2.839 13.174 -0.872 1.00 0.00 H new ATOM 0 HA3 GLY A 35 4.228 13.809 -0.013 1.00 0.00 H new ATOM 505 N LEU A 36 4.461 10.764 0.415 1.00 0.00 N ATOM 506 CA LEU A 36 5.203 9.539 0.165 1.00 0.00 C ATOM 507 C LEU A 36 4.884 9.034 -1.243 1.00 0.00 C ATOM 508 O LEU A 36 5.783 8.647 -1.987 1.00 0.00 O ATOM 509 CB LEU A 36 4.927 8.512 1.264 1.00 0.00 C ATOM 510 CG LEU A 36 5.614 8.766 2.608 1.00 0.00 C ATOM 511 CD1 LEU A 36 5.085 7.814 3.683 1.00 0.00 C ATOM 512 CD2 LEU A 36 7.135 8.687 2.470 1.00 0.00 C ATOM 0 H LEU A 36 4.022 10.817 1.334 1.00 0.00 H new ATOM 0 HA LEU A 36 6.276 9.729 0.201 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.851 8.469 1.431 1.00 0.00 H new ATOM 0 HB3 LEU A 36 5.233 7.531 0.902 1.00 0.00 H new ATOM 0 HG LEU A 36 5.373 9.779 2.929 1.00 0.00 H new ATOM 0 HD11 LEU A 36 5.590 8.016 4.628 1.00 0.00 H new ATOM 0 HD12 LEU A 36 4.012 7.963 3.805 1.00 0.00 H new ATOM 0 HD13 LEU A 36 5.276 6.784 3.382 1.00 0.00 H new ATOM 0 HD21 LEU A 36 7.598 8.871 3.439 1.00 0.00 H new ATOM 0 HD22 LEU A 36 7.417 7.696 2.116 1.00 0.00 H new ATOM 0 HD23 LEU A 36 7.475 9.438 1.757 1.00 0.00 H new ATOM 524 N LEU A 37 3.599 9.054 -1.568 1.00 0.00 N ATOM 525 CA LEU A 37 3.150 8.603 -2.873 1.00 0.00 C ATOM 526 C LEU A 37 2.754 9.815 -3.720 1.00 0.00 C ATOM 527 O LEU A 37 2.583 10.914 -3.193 1.00 0.00 O ATOM 528 CB LEU A 37 2.035 7.565 -2.728 1.00 0.00 C ATOM 529 CG LEU A 37 2.094 6.377 -3.691 1.00 0.00 C ATOM 530 CD1 LEU A 37 1.572 5.104 -3.023 1.00 0.00 C ATOM 531 CD2 LEU A 37 1.350 6.689 -4.991 1.00 0.00 C ATOM 0 H LEU A 37 2.855 9.376 -0.949 1.00 0.00 H new ATOM 0 HA LEU A 37 3.960 8.097 -3.399 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.053 7.181 -1.708 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.078 8.068 -2.862 1.00 0.00 H new ATOM 0 HG LEU A 37 3.137 6.199 -3.952 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.625 4.275 -3.729 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.182 4.876 -2.149 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.537 5.253 -2.715 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.407 5.829 -5.658 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.305 6.908 -4.769 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.807 7.553 -5.473 1.00 0.00 H new ATOM 543 N ASP A 38 2.622 9.574 -5.015 1.00 0.00 N ATOM 544 CA ASP A 38 2.250 10.633 -5.939 1.00 0.00 C ATOM 545 C ASP A 38 0.987 10.221 -6.699 1.00 0.00 C ATOM 546 O ASP A 38 -0.014 10.935 -6.677 1.00 0.00 O ATOM 547 CB ASP A 38 3.358 10.883 -6.965 1.00 0.00 C ATOM 548 CG ASP A 38 3.850 12.330 -7.045 1.00 0.00 C ATOM 549 OD1 ASP A 38 4.580 12.733 -6.113 1.00 0.00 O ATOM 550 OD2 ASP A 38 3.486 12.998 -8.036 1.00 0.00 O ATOM 0 H ASP A 38 2.766 8.661 -5.447 1.00 0.00 H new ATOM 0 HA ASP A 38 2.082 11.541 -5.361 1.00 0.00 H new ATOM 0 HB2 ASP A 38 4.205 10.240 -6.727 1.00 0.00 H new ATOM 0 HB3 ASP A 38 2.996 10.583 -7.949 1.00 0.00 H new ATOM 555 N SER A 39 1.076 9.071 -7.351 1.00 0.00 N ATOM 556 CA SER A 39 -0.048 8.556 -8.115 1.00 0.00 C ATOM 557 C SER A 39 0.359 7.273 -8.842 1.00 0.00 C ATOM 558 O SER A 39 -0.193 6.205 -8.580 1.00 0.00 O ATOM 559 CB SER A 39 -0.555 9.596 -9.116 1.00 0.00 C ATOM 560 OG SER A 39 -1.979 9.633 -9.171 1.00 0.00 O ATOM 0 H SER A 39 1.908 8.482 -7.366 1.00 0.00 H new ATOM 0 HA SER A 39 -0.860 8.332 -7.423 1.00 0.00 H new ATOM 0 HB2 SER A 39 -0.177 10.580 -8.839 1.00 0.00 H new ATOM 0 HB3 SER A 39 -0.160 9.369 -10.106 1.00 0.00 H new ATOM 0 HG SER A 39 -2.264 10.310 -9.820 1.00 0.00 H new ATOM 566 N MET A 40 1.321 7.420 -9.742 1.00 0.00 N ATOM 567 CA MET A 40 1.807 6.285 -10.509 1.00 0.00 C ATOM 568 C MET A 40 2.256 5.151 -9.586 1.00 0.00 C ATOM 569 O MET A 40 2.039 3.977 -9.886 1.00 0.00 O ATOM 570 CB MET A 40 2.982 6.726 -11.383 1.00 0.00 C ATOM 571 CG MET A 40 2.811 6.232 -12.821 1.00 0.00 C ATOM 572 SD MET A 40 3.195 4.491 -12.918 1.00 0.00 S ATOM 573 CE MET A 40 2.145 4.018 -14.282 1.00 0.00 C ATOM 0 H MET A 40 1.776 8.307 -9.957 1.00 0.00 H new ATOM 0 HA MET A 40 0.993 5.918 -11.135 1.00 0.00 H new ATOM 0 HB2 MET A 40 3.058 7.813 -11.375 1.00 0.00 H new ATOM 0 HB3 MET A 40 3.913 6.338 -10.970 1.00 0.00 H new ATOM 0 HG2 MET A 40 1.788 6.406 -13.155 1.00 0.00 H new ATOM 0 HG3 MET A 40 3.464 6.795 -13.488 1.00 0.00 H new ATOM 0 HE1 MET A 40 2.262 2.952 -14.478 1.00 0.00 H new ATOM 0 HE2 MET A 40 1.105 4.229 -14.031 1.00 0.00 H new ATOM 0 HE3 MET A 40 2.426 4.584 -15.170 1.00 0.00 H new ATOM 583 N GLY A 41 2.873 5.540 -8.480 1.00 0.00 N ATOM 584 CA GLY A 41 3.354 4.570 -7.510 1.00 0.00 C ATOM 585 C GLY A 41 2.254 3.573 -7.140 1.00 0.00 C ATOM 586 O GLY A 41 2.493 2.368 -7.098 1.00 0.00 O ATOM 0 H GLY A 41 3.051 6.514 -8.234 1.00 0.00 H new ATOM 0 HA2 GLY A 41 4.211 4.036 -7.919 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.698 5.086 -6.614 1.00 0.00 H new ATOM 590 N THR A 42 1.072 4.114 -6.880 1.00 0.00 N ATOM 591 CA THR A 42 -0.064 3.287 -6.514 1.00 0.00 C ATOM 592 C THR A 42 -0.225 2.132 -7.504 1.00 0.00 C ATOM 593 O THR A 42 -0.260 0.968 -7.106 1.00 0.00 O ATOM 594 CB THR A 42 -1.298 4.189 -6.430 1.00 0.00 C ATOM 595 OG1 THR A 42 -1.893 3.847 -5.181 1.00 0.00 O ATOM 596 CG2 THR A 42 -2.364 3.823 -7.464 1.00 0.00 C ATOM 0 H THR A 42 0.877 5.115 -6.916 1.00 0.00 H new ATOM 0 HA THR A 42 0.085 2.821 -5.540 1.00 0.00 H new ATOM 0 HB THR A 42 -0.998 5.227 -6.571 1.00 0.00 H new ATOM 0 HG1 THR A 42 -2.700 4.386 -5.044 1.00 0.00 H new ATOM 0 HG21 THR A 42 -3.217 4.494 -7.360 1.00 0.00 H new ATOM 0 HG22 THR A 42 -1.947 3.919 -8.466 1.00 0.00 H new ATOM 0 HG23 THR A 42 -2.689 2.795 -7.303 1.00 0.00 H new ATOM 604 N VAL A 43 -0.317 2.493 -8.776 1.00 0.00 N ATOM 605 CA VAL A 43 -0.471 1.501 -9.827 1.00 0.00 C ATOM 606 C VAL A 43 0.549 0.381 -9.618 1.00 0.00 C ATOM 607 O VAL A 43 0.177 -0.769 -9.388 1.00 0.00 O ATOM 608 CB VAL A 43 -0.356 2.168 -11.198 1.00 0.00 C ATOM 609 CG1 VAL A 43 -0.236 1.123 -12.309 1.00 0.00 C ATOM 610 CG2 VAL A 43 -1.538 3.105 -11.453 1.00 0.00 C ATOM 0 H VAL A 43 -0.288 3.459 -9.102 1.00 0.00 H new ATOM 0 HA VAL A 43 -1.462 1.049 -9.784 1.00 0.00 H new ATOM 0 HB VAL A 43 0.554 2.768 -11.203 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -0.156 1.625 -13.273 1.00 0.00 H new ATOM 0 HG12 VAL A 43 0.653 0.514 -12.142 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -1.119 0.484 -12.305 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -1.431 3.566 -12.435 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -2.467 2.536 -11.418 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -1.559 3.881 -10.688 1.00 0.00 H new ATOM 620 N GLN A 44 1.817 0.755 -9.707 1.00 0.00 N ATOM 621 CA GLN A 44 2.895 -0.204 -9.531 1.00 0.00 C ATOM 622 C GLN A 44 2.616 -1.101 -8.324 1.00 0.00 C ATOM 623 O GLN A 44 2.498 -2.317 -8.463 1.00 0.00 O ATOM 624 CB GLN A 44 4.242 0.507 -9.387 1.00 0.00 C ATOM 625 CG GLN A 44 5.375 -0.502 -9.183 1.00 0.00 C ATOM 626 CD GLN A 44 6.707 0.061 -9.684 1.00 0.00 C ATOM 627 OE1 GLN A 44 6.897 0.322 -10.859 1.00 0.00 O ATOM 628 NE2 GLN A 44 7.615 0.231 -8.726 1.00 0.00 N ATOM 0 H GLN A 44 2.122 1.709 -9.899 1.00 0.00 H new ATOM 0 HA GLN A 44 2.946 -0.832 -10.421 1.00 0.00 H new ATOM 0 HB2 GLN A 44 4.439 1.105 -10.277 1.00 0.00 H new ATOM 0 HB3 GLN A 44 4.206 1.195 -8.542 1.00 0.00 H new ATOM 0 HG2 GLN A 44 5.457 -0.753 -8.126 1.00 0.00 H new ATOM 0 HG3 GLN A 44 5.144 -1.426 -9.713 1.00 0.00 H new ATOM 0 HE21 GLN A 44 7.389 -0.009 -7.761 1.00 0.00 H new ATOM 0 HE22 GLN A 44 8.537 0.601 -8.957 1.00 0.00 H new ATOM 637 N LEU A 45 2.518 -0.465 -7.165 1.00 0.00 N ATOM 638 CA LEU A 45 2.255 -1.191 -5.934 1.00 0.00 C ATOM 639 C LEU A 45 1.085 -2.152 -6.154 1.00 0.00 C ATOM 640 O LEU A 45 1.156 -3.319 -5.769 1.00 0.00 O ATOM 641 CB LEU A 45 2.041 -0.217 -4.773 1.00 0.00 C ATOM 642 CG LEU A 45 0.632 -0.182 -4.178 1.00 0.00 C ATOM 643 CD1 LEU A 45 0.339 -1.459 -3.387 1.00 0.00 C ATOM 644 CD2 LEU A 45 0.424 1.076 -3.334 1.00 0.00 C ATOM 0 H LEU A 45 2.616 0.544 -7.053 1.00 0.00 H new ATOM 0 HA LEU A 45 3.118 -1.797 -5.657 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.743 -0.470 -3.979 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.294 0.786 -5.115 1.00 0.00 H new ATOM 0 HG LEU A 45 -0.084 -0.140 -4.999 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.669 -1.408 -2.975 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.418 -2.322 -4.048 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.059 -1.557 -2.574 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.586 1.076 -2.923 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.148 1.091 -2.519 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.562 1.959 -3.958 1.00 0.00 H new ATOM 656 N LEU A 46 0.037 -1.626 -6.770 1.00 0.00 N ATOM 657 CA LEU A 46 -1.146 -2.424 -7.046 1.00 0.00 C ATOM 658 C LEU A 46 -0.770 -3.587 -7.965 1.00 0.00 C ATOM 659 O LEU A 46 -1.403 -4.641 -7.931 1.00 0.00 O ATOM 660 CB LEU A 46 -2.270 -1.543 -7.596 1.00 0.00 C ATOM 661 CG LEU A 46 -2.799 -1.920 -8.981 1.00 0.00 C ATOM 662 CD1 LEU A 46 -3.425 -3.315 -8.969 1.00 0.00 C ATOM 663 CD2 LEU A 46 -3.771 -0.859 -9.503 1.00 0.00 C ATOM 0 H LEU A 46 -0.018 -0.658 -7.086 1.00 0.00 H new ATOM 0 HA LEU A 46 -1.535 -2.859 -6.125 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.102 -1.567 -6.892 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -1.913 -0.514 -7.633 1.00 0.00 H new ATOM 0 HG LEU A 46 -1.956 -1.953 -9.671 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -3.793 -3.557 -9.966 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -2.675 -4.048 -8.671 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -4.254 -3.336 -8.262 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -4.133 -1.151 -10.489 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -4.615 -0.770 -8.819 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -3.259 0.101 -9.574 1.00 0.00 H new ATOM 675 N LEU A 47 0.260 -3.356 -8.767 1.00 0.00 N ATOM 676 CA LEU A 47 0.728 -4.371 -9.695 1.00 0.00 C ATOM 677 C LEU A 47 1.347 -5.529 -8.908 1.00 0.00 C ATOM 678 O LEU A 47 1.172 -6.692 -9.266 1.00 0.00 O ATOM 679 CB LEU A 47 1.672 -3.757 -10.731 1.00 0.00 C ATOM 680 CG LEU A 47 1.292 -3.973 -12.197 1.00 0.00 C ATOM 681 CD1 LEU A 47 1.292 -5.463 -12.548 1.00 0.00 C ATOM 682 CD2 LEU A 47 -0.047 -3.309 -12.520 1.00 0.00 C ATOM 0 H LEU A 47 0.783 -2.481 -8.793 1.00 0.00 H new ATOM 0 HA LEU A 47 -0.107 -4.781 -10.263 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.733 -2.684 -10.547 1.00 0.00 H new ATOM 0 HB3 LEU A 47 2.670 -4.166 -10.571 1.00 0.00 H new ATOM 0 HG LEU A 47 2.047 -3.494 -12.820 1.00 0.00 H new ATOM 0 HD11 LEU A 47 1.019 -5.590 -13.596 1.00 0.00 H new ATOM 0 HD12 LEU A 47 2.286 -5.876 -12.380 1.00 0.00 H new ATOM 0 HD13 LEU A 47 0.571 -5.985 -11.919 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -0.293 -3.478 -13.568 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.827 -3.737 -11.890 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.023 -2.238 -12.332 1.00 0.00 H new ATOM 694 N GLU A 48 2.060 -5.168 -7.850 1.00 0.00 N ATOM 695 CA GLU A 48 2.706 -6.162 -7.010 1.00 0.00 C ATOM 696 C GLU A 48 1.678 -6.839 -6.102 1.00 0.00 C ATOM 697 O GLU A 48 1.874 -7.977 -5.678 1.00 0.00 O ATOM 698 CB GLU A 48 3.834 -5.536 -6.189 1.00 0.00 C ATOM 699 CG GLU A 48 5.200 -6.037 -6.661 1.00 0.00 C ATOM 700 CD GLU A 48 5.330 -5.924 -8.182 1.00 0.00 C ATOM 701 OE1 GLU A 48 5.431 -4.774 -8.659 1.00 0.00 O ATOM 702 OE2 GLU A 48 5.326 -6.992 -8.832 1.00 0.00 O ATOM 0 H GLU A 48 2.204 -4.202 -7.556 1.00 0.00 H new ATOM 0 HA GLU A 48 3.148 -6.922 -7.655 1.00 0.00 H new ATOM 0 HB2 GLU A 48 3.792 -4.450 -6.275 1.00 0.00 H new ATOM 0 HB3 GLU A 48 3.699 -5.778 -5.135 1.00 0.00 H new ATOM 0 HG2 GLU A 48 5.989 -5.458 -6.181 1.00 0.00 H new ATOM 0 HG3 GLU A 48 5.336 -7.075 -6.357 1.00 0.00 H new ATOM 709 N LEU A 49 0.605 -6.111 -5.831 1.00 0.00 N ATOM 710 CA LEU A 49 -0.455 -6.627 -4.981 1.00 0.00 C ATOM 711 C LEU A 49 -1.383 -7.514 -5.812 1.00 0.00 C ATOM 712 O LEU A 49 -2.105 -8.346 -5.266 1.00 0.00 O ATOM 713 CB LEU A 49 -1.175 -5.482 -4.266 1.00 0.00 C ATOM 714 CG LEU A 49 -0.308 -4.608 -3.356 1.00 0.00 C ATOM 715 CD1 LEU A 49 -1.132 -4.033 -2.203 1.00 0.00 C ATOM 716 CD2 LEU A 49 0.915 -5.381 -2.858 1.00 0.00 C ATOM 0 H LEU A 49 0.447 -5.168 -6.185 1.00 0.00 H new ATOM 0 HA LEU A 49 -0.039 -7.252 -4.191 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -1.636 -4.843 -5.019 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -1.983 -5.904 -3.669 1.00 0.00 H new ATOM 0 HG LEU A 49 0.060 -3.765 -3.940 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -0.493 -3.416 -1.571 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -1.943 -3.424 -2.603 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -1.548 -4.848 -1.611 1.00 0.00 H new ATOM 0 HD21 LEU A 49 1.514 -4.738 -2.214 1.00 0.00 H new ATOM 0 HD22 LEU A 49 0.588 -6.255 -2.295 1.00 0.00 H new ATOM 0 HD23 LEU A 49 1.515 -5.701 -3.710 1.00 0.00 H new ATOM 728 N GLN A 50 -1.334 -7.305 -7.120 1.00 0.00 N ATOM 729 CA GLN A 50 -2.163 -8.076 -8.032 1.00 0.00 C ATOM 730 C GLN A 50 -1.319 -9.126 -8.756 1.00 0.00 C ATOM 731 O GLN A 50 -1.760 -9.706 -9.747 1.00 0.00 O ATOM 732 CB GLN A 50 -2.875 -7.161 -9.031 1.00 0.00 C ATOM 733 CG GLN A 50 -3.909 -7.939 -9.845 1.00 0.00 C ATOM 734 CD GLN A 50 -3.635 -7.813 -11.345 1.00 0.00 C ATOM 735 OE1 GLN A 50 -2.593 -8.202 -11.847 1.00 0.00 O ATOM 736 NE2 GLN A 50 -4.625 -7.249 -12.031 1.00 0.00 N ATOM 0 H GLN A 50 -0.734 -6.614 -7.570 1.00 0.00 H new ATOM 0 HA GLN A 50 -2.928 -8.591 -7.451 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -3.365 -6.346 -8.498 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -2.144 -6.710 -9.701 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -3.889 -8.990 -9.555 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -4.908 -7.566 -9.622 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -5.471 -6.946 -11.549 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -4.538 -7.120 -13.039 1.00 0.00 H new ATOM 745 N SER A 51 -0.122 -9.341 -8.231 1.00 0.00 N ATOM 746 CA SER A 51 0.788 -10.312 -8.814 1.00 0.00 C ATOM 747 C SER A 51 1.083 -11.425 -7.806 1.00 0.00 C ATOM 748 O SER A 51 0.851 -12.600 -8.086 1.00 0.00 O ATOM 749 CB SER A 51 2.089 -9.648 -9.267 1.00 0.00 C ATOM 750 OG SER A 51 2.875 -10.512 -10.083 1.00 0.00 O ATOM 0 H SER A 51 0.239 -8.859 -7.408 1.00 0.00 H new ATOM 0 HA SER A 51 0.308 -10.744 -9.692 1.00 0.00 H new ATOM 0 HB2 SER A 51 1.858 -8.738 -9.821 1.00 0.00 H new ATOM 0 HB3 SER A 51 2.667 -9.350 -8.392 1.00 0.00 H new ATOM 0 HG SER A 51 3.696 -10.050 -10.353 1.00 0.00 H new ATOM 756 N GLN A 52 1.590 -11.015 -6.652 1.00 0.00 N ATOM 757 CA GLN A 52 1.919 -11.961 -5.601 1.00 0.00 C ATOM 758 C GLN A 52 0.686 -12.253 -4.743 1.00 0.00 C ATOM 759 O GLN A 52 0.540 -13.353 -4.212 1.00 0.00 O ATOM 760 CB GLN A 52 3.075 -11.445 -4.740 1.00 0.00 C ATOM 761 CG GLN A 52 4.276 -11.061 -5.608 1.00 0.00 C ATOM 762 CD GLN A 52 5.370 -12.127 -5.531 1.00 0.00 C ATOM 763 OE1 GLN A 52 5.235 -13.231 -6.032 1.00 0.00 O ATOM 764 NE2 GLN A 52 6.461 -11.736 -4.879 1.00 0.00 N ATOM 0 H GLN A 52 1.781 -10.040 -6.423 1.00 0.00 H new ATOM 0 HA GLN A 52 2.243 -12.892 -6.067 1.00 0.00 H new ATOM 0 HB2 GLN A 52 2.746 -10.580 -4.164 1.00 0.00 H new ATOM 0 HB3 GLN A 52 3.370 -12.212 -4.023 1.00 0.00 H new ATOM 0 HG2 GLN A 52 3.957 -10.936 -6.643 1.00 0.00 H new ATOM 0 HG3 GLN A 52 4.675 -10.101 -5.280 1.00 0.00 H new ATOM 0 HE21 GLN A 52 6.510 -10.797 -4.483 1.00 0.00 H new ATOM 0 HE22 GLN A 52 7.249 -12.375 -4.775 1.00 0.00 H new ATOM 773 N PHE A 53 -0.172 -11.249 -4.637 1.00 0.00 N ATOM 774 CA PHE A 53 -1.388 -11.384 -3.854 1.00 0.00 C ATOM 775 C PHE A 53 -2.627 -11.331 -4.751 1.00 0.00 C ATOM 776 O PHE A 53 -3.749 -11.505 -4.278 1.00 0.00 O ATOM 777 CB PHE A 53 -1.427 -10.204 -2.880 1.00 0.00 C ATOM 778 CG PHE A 53 -0.073 -9.874 -2.248 1.00 0.00 C ATOM 779 CD1 PHE A 53 0.852 -10.856 -2.074 1.00 0.00 C ATOM 780 CD2 PHE A 53 0.204 -8.601 -1.859 1.00 0.00 C ATOM 781 CE1 PHE A 53 2.109 -10.550 -1.486 1.00 0.00 C ATOM 782 CE2 PHE A 53 1.460 -8.296 -1.273 1.00 0.00 C ATOM 783 CZ PHE A 53 2.386 -9.276 -1.099 1.00 0.00 C ATOM 0 H PHE A 53 -0.049 -10.339 -5.080 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.390 -12.342 -3.333 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.795 -9.323 -3.407 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -2.142 -10.424 -2.088 1.00 0.00 H new ATOM 0 HD1 PHE A 53 0.631 -11.867 -2.382 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -0.532 -7.822 -1.996 1.00 0.00 H new ATOM 0 HE1 PHE A 53 2.844 -11.329 -1.347 1.00 0.00 H new ATOM 0 HE2 PHE A 53 1.680 -7.285 -0.965 1.00 0.00 H new ATOM 0 HZ PHE A 53 3.342 -9.043 -0.653 1.00 0.00 H new ATOM 793 N GLY A 54 -2.381 -11.089 -6.030 1.00 0.00 N ATOM 794 CA GLY A 54 -3.462 -11.010 -6.998 1.00 0.00 C ATOM 795 C GLY A 54 -4.674 -10.286 -6.408 1.00 0.00 C ATOM 796 O GLY A 54 -5.815 -10.664 -6.669 1.00 0.00 O ATOM 0 H GLY A 54 -1.449 -10.945 -6.419 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -3.119 -10.485 -7.890 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -3.750 -12.014 -7.310 1.00 0.00 H new ATOM 800 N VAL A 55 -4.386 -9.258 -5.623 1.00 0.00 N ATOM 801 CA VAL A 55 -5.438 -8.478 -4.995 1.00 0.00 C ATOM 802 C VAL A 55 -6.336 -7.875 -6.077 1.00 0.00 C ATOM 803 O VAL A 55 -5.921 -7.736 -7.227 1.00 0.00 O ATOM 804 CB VAL A 55 -4.826 -7.424 -4.070 1.00 0.00 C ATOM 805 CG1 VAL A 55 -5.759 -6.222 -3.915 1.00 0.00 C ATOM 806 CG2 VAL A 55 -4.478 -8.026 -2.706 1.00 0.00 C ATOM 0 H VAL A 55 -3.439 -8.947 -5.408 1.00 0.00 H new ATOM 0 HA VAL A 55 -6.065 -9.115 -4.371 1.00 0.00 H new ATOM 0 HB VAL A 55 -3.901 -7.074 -4.528 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -5.300 -5.488 -3.253 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -5.935 -5.770 -4.891 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -6.708 -6.550 -3.491 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -4.045 -7.256 -2.068 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -5.382 -8.417 -2.240 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -3.759 -8.834 -2.838 1.00 0.00 H new ATOM 816 N ASP A 56 -7.550 -7.532 -5.671 1.00 0.00 N ATOM 817 CA ASP A 56 -8.510 -6.947 -6.590 1.00 0.00 C ATOM 818 C ASP A 56 -8.439 -5.423 -6.493 1.00 0.00 C ATOM 819 O ASP A 56 -9.461 -4.760 -6.325 1.00 0.00 O ATOM 820 CB ASP A 56 -9.937 -7.377 -6.245 1.00 0.00 C ATOM 821 CG ASP A 56 -10.396 -8.681 -6.900 1.00 0.00 C ATOM 822 OD1 ASP A 56 -9.504 -9.458 -7.307 1.00 0.00 O ATOM 823 OD2 ASP A 56 -11.629 -8.874 -6.979 1.00 0.00 O ATOM 0 H ASP A 56 -7.890 -7.649 -4.717 1.00 0.00 H new ATOM 0 HA ASP A 56 -8.264 -7.288 -7.596 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -10.017 -7.484 -5.163 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -10.621 -6.581 -6.538 1.00 0.00 H new ATOM 828 N ALA A 57 -7.222 -4.910 -6.604 1.00 0.00 N ATOM 829 CA ALA A 57 -7.005 -3.476 -6.530 1.00 0.00 C ATOM 830 C ALA A 57 -7.586 -2.811 -7.780 1.00 0.00 C ATOM 831 O ALA A 57 -7.094 -3.025 -8.887 1.00 0.00 O ATOM 832 CB ALA A 57 -5.509 -3.194 -6.363 1.00 0.00 C ATOM 0 H ALA A 57 -6.376 -5.463 -6.745 1.00 0.00 H new ATOM 0 HA ALA A 57 -7.516 -3.055 -5.664 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -5.346 -2.118 -6.307 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -5.150 -3.663 -5.447 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -4.965 -3.600 -7.216 1.00 0.00 H new ATOM 838 N PRO A 58 -8.652 -1.999 -7.555 1.00 0.00 N ATOM 839 CA PRO A 58 -9.307 -1.302 -8.650 1.00 0.00 C ATOM 840 C PRO A 58 -8.463 -0.119 -9.130 1.00 0.00 C ATOM 841 O PRO A 58 -7.612 0.380 -8.394 1.00 0.00 O ATOM 842 CB PRO A 58 -10.659 -0.882 -8.097 1.00 0.00 C ATOM 843 CG PRO A 58 -10.529 -0.947 -6.585 1.00 0.00 C ATOM 844 CD PRO A 58 -9.262 -1.722 -6.258 1.00 0.00 C ATOM 0 HA PRO A 58 -9.431 -1.929 -9.533 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -10.919 0.125 -8.424 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -11.449 -1.545 -8.450 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -10.482 0.057 -6.163 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -11.399 -1.436 -6.148 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -8.595 -1.140 -5.623 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -9.489 -2.644 -5.722 1.00 0.00 H new ATOM 852 N VAL A 59 -8.726 0.295 -10.360 1.00 0.00 N ATOM 853 CA VAL A 59 -8.001 1.410 -10.946 1.00 0.00 C ATOM 854 C VAL A 59 -9.001 2.430 -11.496 1.00 0.00 C ATOM 855 O VAL A 59 -8.607 3.422 -12.106 1.00 0.00 O ATOM 856 CB VAL A 59 -7.024 0.899 -12.006 1.00 0.00 C ATOM 857 CG1 VAL A 59 -5.871 1.885 -12.210 1.00 0.00 C ATOM 858 CG2 VAL A 59 -6.498 -0.491 -11.643 1.00 0.00 C ATOM 0 H VAL A 59 -9.431 -0.122 -10.968 1.00 0.00 H new ATOM 0 HA VAL A 59 -7.402 1.917 -10.189 1.00 0.00 H new ATOM 0 HB VAL A 59 -7.566 0.817 -12.948 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -5.191 1.498 -12.969 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -6.268 2.847 -12.535 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -5.332 2.014 -11.271 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -5.806 -0.831 -12.413 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -5.981 -0.445 -10.685 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -7.332 -1.189 -11.572 1.00 0.00 H new ATOM 868 N SER A 60 -10.274 2.150 -11.260 1.00 0.00 N ATOM 869 CA SER A 60 -11.332 3.030 -11.725 1.00 0.00 C ATOM 870 C SER A 60 -11.825 3.908 -10.572 1.00 0.00 C ATOM 871 O SER A 60 -12.925 3.708 -10.061 1.00 0.00 O ATOM 872 CB SER A 60 -12.495 2.229 -12.316 1.00 0.00 C ATOM 873 OG SER A 60 -12.410 0.845 -11.990 1.00 0.00 O ATOM 0 H SER A 60 -10.597 1.326 -10.753 1.00 0.00 H new ATOM 0 HA SER A 60 -10.927 3.666 -12.512 1.00 0.00 H new ATOM 0 HB2 SER A 60 -13.438 2.631 -11.945 1.00 0.00 H new ATOM 0 HB3 SER A 60 -12.502 2.346 -13.400 1.00 0.00 H new ATOM 0 HG SER A 60 -13.171 0.369 -12.384 1.00 0.00 H new ATOM 879 N GLU A 61 -10.986 4.863 -10.198 1.00 0.00 N ATOM 880 CA GLU A 61 -11.321 5.773 -9.117 1.00 0.00 C ATOM 881 C GLU A 61 -11.480 5.002 -7.805 1.00 0.00 C ATOM 882 O GLU A 61 -12.433 5.228 -7.059 1.00 0.00 O ATOM 883 CB GLU A 61 -12.588 6.568 -9.443 1.00 0.00 C ATOM 884 CG GLU A 61 -12.899 7.580 -8.339 1.00 0.00 C ATOM 885 CD GLU A 61 -14.369 7.504 -7.923 1.00 0.00 C ATOM 886 OE1 GLU A 61 -15.196 8.097 -8.649 1.00 0.00 O ATOM 887 OE2 GLU A 61 -14.633 6.855 -6.887 1.00 0.00 O ATOM 0 H GLU A 61 -10.074 5.026 -10.625 1.00 0.00 H new ATOM 0 HA GLU A 61 -10.504 6.485 -9.001 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -12.461 7.088 -10.393 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -13.429 5.885 -9.563 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -12.263 7.388 -7.475 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -12.668 8.586 -8.688 1.00 0.00 H new ATOM 894 N PHE A 62 -10.533 4.109 -7.562 1.00 0.00 N ATOM 895 CA PHE A 62 -10.556 3.303 -6.353 1.00 0.00 C ATOM 896 C PHE A 62 -10.653 4.187 -5.107 1.00 0.00 C ATOM 897 O PHE A 62 -10.899 5.388 -5.212 1.00 0.00 O ATOM 898 CB PHE A 62 -9.239 2.525 -6.310 1.00 0.00 C ATOM 899 CG PHE A 62 -7.993 3.402 -6.444 1.00 0.00 C ATOM 900 CD1 PHE A 62 -7.684 4.298 -5.469 1.00 0.00 C ATOM 901 CD2 PHE A 62 -7.194 3.285 -7.538 1.00 0.00 C ATOM 902 CE1 PHE A 62 -6.526 5.112 -5.592 1.00 0.00 C ATOM 903 CE2 PHE A 62 -6.037 4.100 -7.662 1.00 0.00 C ATOM 904 CZ PHE A 62 -5.728 4.996 -6.687 1.00 0.00 C ATOM 0 H PHE A 62 -9.744 3.925 -8.182 1.00 0.00 H new ATOM 0 HA PHE A 62 -11.421 2.640 -6.364 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -9.184 1.975 -5.370 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -9.239 1.787 -7.112 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -8.319 4.391 -4.601 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -7.439 2.573 -8.312 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -6.280 5.822 -4.817 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -5.403 4.008 -8.531 1.00 0.00 H new ATOM 0 HZ PHE A 62 -4.849 5.616 -6.782 1.00 0.00 H new ATOM 914 N ASP A 63 -10.456 3.559 -3.958 1.00 0.00 N ATOM 915 CA ASP A 63 -10.519 4.273 -2.694 1.00 0.00 C ATOM 916 C ASP A 63 -9.100 4.623 -2.240 1.00 0.00 C ATOM 917 O ASP A 63 -8.495 3.888 -1.461 1.00 0.00 O ATOM 918 CB ASP A 63 -11.164 3.412 -1.607 1.00 0.00 C ATOM 919 CG ASP A 63 -11.354 1.939 -1.976 1.00 0.00 C ATOM 920 OD1 ASP A 63 -10.322 1.275 -2.209 1.00 0.00 O ATOM 921 OD2 ASP A 63 -12.528 1.511 -2.016 1.00 0.00 O ATOM 0 H ASP A 63 -10.252 2.563 -3.875 1.00 0.00 H new ATOM 0 HA ASP A 63 -11.117 5.172 -2.844 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -10.551 3.469 -0.708 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -12.136 3.837 -1.357 1.00 0.00 H new ATOM 926 N ARG A 64 -8.610 5.744 -2.748 1.00 0.00 N ATOM 927 CA ARG A 64 -7.274 6.201 -2.404 1.00 0.00 C ATOM 928 C ARG A 64 -7.086 6.198 -0.886 1.00 0.00 C ATOM 929 O ARG A 64 -5.971 6.035 -0.395 1.00 0.00 O ATOM 930 CB ARG A 64 -7.018 7.610 -2.941 1.00 0.00 C ATOM 931 CG ARG A 64 -8.227 8.517 -2.698 1.00 0.00 C ATOM 932 CD ARG A 64 -7.858 9.689 -1.786 1.00 0.00 C ATOM 933 NE ARG A 64 -8.988 10.001 -0.883 1.00 0.00 N ATOM 934 CZ ARG A 64 -10.011 10.804 -1.208 1.00 0.00 C ATOM 935 NH1 ARG A 64 -10.053 11.378 -2.418 1.00 0.00 N ATOM 936 NH2 ARG A 64 -10.992 11.030 -0.325 1.00 0.00 N ATOM 0 H ARG A 64 -9.114 6.350 -3.395 1.00 0.00 H new ATOM 0 HA ARG A 64 -6.561 5.516 -2.863 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -6.138 8.033 -2.457 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -6.803 7.563 -4.009 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -8.600 8.895 -3.650 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -9.034 7.940 -2.246 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -6.972 9.441 -1.201 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -7.609 10.564 -2.387 1.00 0.00 H new ATOM 0 HE ARG A 64 -8.989 9.578 0.045 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -9.307 11.204 -3.091 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -10.831 11.989 -2.666 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -10.961 10.591 0.595 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -11.770 11.641 -0.573 1.00 0.00 H new ATOM 950 N LYS A 65 -8.196 6.383 -0.185 1.00 0.00 N ATOM 951 CA LYS A 65 -8.167 6.404 1.268 1.00 0.00 C ATOM 952 C LYS A 65 -7.629 5.069 1.783 1.00 0.00 C ATOM 953 O LYS A 65 -6.950 5.022 2.807 1.00 0.00 O ATOM 954 CB LYS A 65 -9.545 6.769 1.825 1.00 0.00 C ATOM 955 CG LYS A 65 -10.628 5.852 1.253 1.00 0.00 C ATOM 956 CD LYS A 65 -11.410 5.162 2.374 1.00 0.00 C ATOM 957 CE LYS A 65 -10.560 4.088 3.055 1.00 0.00 C ATOM 958 NZ LYS A 65 -11.399 3.242 3.933 1.00 0.00 N ATOM 0 H LYS A 65 -9.120 6.519 -0.596 1.00 0.00 H new ATOM 0 HA LYS A 65 -7.489 7.179 1.625 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -9.534 6.691 2.912 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -9.776 7.806 1.582 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -11.311 6.432 0.632 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -10.171 5.101 0.608 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -11.726 5.901 3.110 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -12.315 4.711 1.967 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -10.073 3.469 2.301 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -9.770 4.558 3.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -10.820 2.477 4.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -11.790 3.821 4.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -12.178 2.832 3.379 1.00 0.00 H new ATOM 972 N GLU A 66 -7.954 4.014 1.050 1.00 0.00 N ATOM 973 CA GLU A 66 -7.512 2.680 1.420 1.00 0.00 C ATOM 974 C GLU A 66 -6.055 2.469 1.004 1.00 0.00 C ATOM 975 O GLU A 66 -5.329 1.705 1.638 1.00 0.00 O ATOM 976 CB GLU A 66 -8.418 1.611 0.805 1.00 0.00 C ATOM 977 CG GLU A 66 -7.941 0.207 1.179 1.00 0.00 C ATOM 978 CD GLU A 66 -9.124 -0.703 1.517 1.00 0.00 C ATOM 979 OE1 GLU A 66 -10.216 -0.441 0.966 1.00 0.00 O ATOM 980 OE2 GLU A 66 -8.910 -1.638 2.318 1.00 0.00 O ATOM 0 H GLU A 66 -8.518 4.056 0.201 1.00 0.00 H new ATOM 0 HA GLU A 66 -7.578 2.585 2.504 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -9.442 1.755 1.150 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -8.429 1.718 -0.280 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -7.374 -0.220 0.352 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -7.266 0.264 2.033 1.00 0.00 H new ATOM 987 N TRP A 67 -5.670 3.160 -0.058 1.00 0.00 N ATOM 988 CA TRP A 67 -4.313 3.059 -0.566 1.00 0.00 C ATOM 989 C TRP A 67 -3.523 4.262 -0.048 1.00 0.00 C ATOM 990 O TRP A 67 -2.413 4.527 -0.509 1.00 0.00 O ATOM 991 CB TRP A 67 -4.305 2.951 -2.093 1.00 0.00 C ATOM 992 CG TRP A 67 -5.355 1.990 -2.654 1.00 0.00 C ATOM 993 CD1 TRP A 67 -6.568 2.285 -3.141 1.00 0.00 C ATOM 994 CD2 TRP A 67 -5.233 0.556 -2.768 1.00 0.00 C ATOM 995 NE1 TRP A 67 -7.234 1.151 -3.558 1.00 0.00 N ATOM 996 CE2 TRP A 67 -6.396 0.066 -3.324 1.00 0.00 C ATOM 997 CE3 TRP A 67 -4.175 -0.298 -2.412 1.00 0.00 C ATOM 998 CZ2 TRP A 67 -6.614 -1.294 -3.575 1.00 0.00 C ATOM 999 CZ3 TRP A 67 -4.407 -1.655 -2.669 1.00 0.00 C ATOM 1000 CH2 TRP A 67 -5.573 -2.165 -3.229 1.00 0.00 C ATOM 0 H TRP A 67 -6.275 3.793 -0.581 1.00 0.00 H new ATOM 0 HA TRP A 67 -3.834 2.148 -0.207 1.00 0.00 H new ATOM 0 HB2 TRP A 67 -4.470 3.941 -2.518 1.00 0.00 H new ATOM 0 HB3 TRP A 67 -3.317 2.624 -2.419 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -6.973 3.284 -3.200 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -8.169 1.115 -3.963 1.00 0.00 H new ATOM 0 HE3 TRP A 67 -3.256 0.064 -1.975 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 -7.535 -1.652 -4.012 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 -3.625 -2.355 -2.414 1.00 0.00 H new ATOM 0 HH2 TRP A 67 -5.675 -3.227 -3.396 1.00 0.00 H new ATOM 1011 N ASP A 68 -4.125 4.959 0.905 1.00 0.00 N ATOM 1012 CA ASP A 68 -3.491 6.127 1.491 1.00 0.00 C ATOM 1013 C ASP A 68 -2.582 5.687 2.640 1.00 0.00 C ATOM 1014 O ASP A 68 -1.547 6.303 2.890 1.00 0.00 O ATOM 1015 CB ASP A 68 -4.534 7.094 2.057 1.00 0.00 C ATOM 1016 CG ASP A 68 -4.041 7.977 3.205 1.00 0.00 C ATOM 1017 OD1 ASP A 68 -2.928 8.527 3.062 1.00 0.00 O ATOM 1018 OD2 ASP A 68 -4.789 8.081 4.201 1.00 0.00 O ATOM 0 H ASP A 68 -5.045 4.737 1.286 1.00 0.00 H new ATOM 0 HA ASP A 68 -2.920 6.628 0.709 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -4.887 7.736 1.250 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -5.391 6.517 2.404 1.00 0.00 H new ATOM 1023 N THR A 69 -3.002 4.623 3.310 1.00 0.00 N ATOM 1024 CA THR A 69 -2.238 4.093 4.427 1.00 0.00 C ATOM 1025 C THR A 69 -1.801 2.655 4.139 1.00 0.00 C ATOM 1026 O THR A 69 -2.375 1.988 3.280 1.00 0.00 O ATOM 1027 CB THR A 69 -3.093 4.227 5.690 1.00 0.00 C ATOM 1028 OG1 THR A 69 -4.429 4.051 5.225 1.00 0.00 O ATOM 1029 CG2 THR A 69 -3.080 5.648 6.257 1.00 0.00 C ATOM 0 H THR A 69 -3.861 4.114 3.101 1.00 0.00 H new ATOM 0 HA THR A 69 -1.317 4.655 4.579 1.00 0.00 H new ATOM 0 HB THR A 69 -2.734 3.530 6.447 1.00 0.00 H new ATOM 0 HG1 THR A 69 -5.043 4.561 5.793 1.00 0.00 H new ATOM 0 HG21 THR A 69 -3.701 5.688 7.152 1.00 0.00 H new ATOM 0 HG22 THR A 69 -2.058 5.929 6.512 1.00 0.00 H new ATOM 0 HG23 THR A 69 -3.471 6.341 5.512 1.00 0.00 H new ATOM 1037 N PRO A 70 -0.762 2.209 4.895 1.00 0.00 N ATOM 1038 CA PRO A 70 -0.241 0.862 4.729 1.00 0.00 C ATOM 1039 C PRO A 70 -1.182 -0.170 5.352 1.00 0.00 C ATOM 1040 O PRO A 70 -1.399 -1.239 4.784 1.00 0.00 O ATOM 1041 CB PRO A 70 1.130 0.889 5.385 1.00 0.00 C ATOM 1042 CG PRO A 70 1.134 2.106 6.296 1.00 0.00 C ATOM 1043 CD PRO A 70 -0.058 2.971 5.922 1.00 0.00 C ATOM 0 HA PRO A 70 -0.162 0.566 3.683 1.00 0.00 H new ATOM 0 HB2 PRO A 70 1.309 -0.024 5.953 1.00 0.00 H new ATOM 0 HB3 PRO A 70 1.919 0.959 4.637 1.00 0.00 H new ATOM 0 HG2 PRO A 70 1.072 1.801 7.341 1.00 0.00 H new ATOM 0 HG3 PRO A 70 2.063 2.665 6.182 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -0.698 3.158 6.785 1.00 0.00 H new ATOM 0 HD3 PRO A 70 0.261 3.943 5.545 1.00 0.00 H new ATOM 1051 N ASN A 71 -1.715 0.186 6.511 1.00 0.00 N ATOM 1052 CA ASN A 71 -2.629 -0.697 7.217 1.00 0.00 C ATOM 1053 C ASN A 71 -3.847 -0.975 6.335 1.00 0.00 C ATOM 1054 O ASN A 71 -4.225 -2.129 6.137 1.00 0.00 O ATOM 1055 CB ASN A 71 -3.121 -0.055 8.516 1.00 0.00 C ATOM 1056 CG ASN A 71 -2.563 -0.788 9.737 1.00 0.00 C ATOM 1057 OD1 ASN A 71 -2.450 -2.003 9.765 1.00 0.00 O ATOM 1058 ND2 ASN A 71 -2.223 0.014 10.742 1.00 0.00 N ATOM 0 H ASN A 71 -1.532 1.073 6.979 1.00 0.00 H new ATOM 0 HA ASN A 71 -2.095 -1.619 7.450 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -2.818 0.992 8.546 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -4.211 -0.072 8.544 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -1.842 -0.380 11.602 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -2.344 1.023 10.653 1.00 0.00 H new ATOM 1065 N LYS A 72 -4.428 0.103 5.829 1.00 0.00 N ATOM 1066 CA LYS A 72 -5.597 -0.011 4.972 1.00 0.00 C ATOM 1067 C LYS A 72 -5.253 -0.879 3.760 1.00 0.00 C ATOM 1068 O LYS A 72 -6.114 -1.576 3.226 1.00 0.00 O ATOM 1069 CB LYS A 72 -6.129 1.375 4.605 1.00 0.00 C ATOM 1070 CG LYS A 72 -7.407 1.695 5.383 1.00 0.00 C ATOM 1071 CD LYS A 72 -7.816 3.157 5.188 1.00 0.00 C ATOM 1072 CE LYS A 72 -7.735 3.930 6.506 1.00 0.00 C ATOM 1073 NZ LYS A 72 -8.821 3.509 7.420 1.00 0.00 N ATOM 0 H LYS A 72 -4.112 1.058 5.995 1.00 0.00 H new ATOM 0 HA LYS A 72 -6.410 -0.509 5.500 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -5.371 2.128 4.819 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -6.330 1.420 3.535 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -8.213 1.041 5.051 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -7.251 1.495 6.443 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -7.167 3.624 4.448 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -8.832 3.205 4.796 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -6.767 3.757 6.977 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -7.809 5.000 6.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -8.836 4.133 8.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -9.734 3.569 6.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -8.657 2.529 7.726 1.00 0.00 H new ATOM 1087 N ILE A 73 -3.991 -0.806 3.359 1.00 0.00 N ATOM 1088 CA ILE A 73 -3.523 -1.576 2.219 1.00 0.00 C ATOM 1089 C ILE A 73 -3.278 -3.023 2.653 1.00 0.00 C ATOM 1090 O ILE A 73 -3.700 -3.959 1.974 1.00 0.00 O ATOM 1091 CB ILE A 73 -2.300 -0.909 1.588 1.00 0.00 C ATOM 1092 CG1 ILE A 73 -2.709 0.317 0.767 1.00 0.00 C ATOM 1093 CG2 ILE A 73 -1.494 -1.911 0.759 1.00 0.00 C ATOM 1094 CD1 ILE A 73 -1.496 0.940 0.072 1.00 0.00 C ATOM 0 H ILE A 73 -3.279 -0.226 3.803 1.00 0.00 H new ATOM 0 HA ILE A 73 -4.283 -1.600 1.438 1.00 0.00 H new ATOM 0 HB ILE A 73 -1.649 -0.559 2.390 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -3.451 0.030 0.023 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -3.179 1.055 1.417 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -0.630 -1.410 0.322 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -1.155 -2.725 1.400 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -2.121 -2.313 -0.037 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.813 1.809 -0.504 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -0.766 1.248 0.821 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -1.043 0.207 -0.596 1.00 0.00 H new ATOM 1106 N ILE A 74 -2.596 -3.162 3.781 1.00 0.00 N ATOM 1107 CA ILE A 74 -2.290 -4.479 4.313 1.00 0.00 C ATOM 1108 C ILE A 74 -3.588 -5.271 4.483 1.00 0.00 C ATOM 1109 O ILE A 74 -3.591 -6.495 4.371 1.00 0.00 O ATOM 1110 CB ILE A 74 -1.469 -4.359 5.599 1.00 0.00 C ATOM 1111 CG1 ILE A 74 0.027 -4.287 5.290 1.00 0.00 C ATOM 1112 CG2 ILE A 74 -1.801 -5.496 6.569 1.00 0.00 C ATOM 1113 CD1 ILE A 74 0.844 -4.111 6.572 1.00 0.00 C ATOM 0 H ILE A 74 -2.247 -2.384 4.341 1.00 0.00 H new ATOM 0 HA ILE A 74 -1.666 -5.037 3.614 1.00 0.00 H new ATOM 0 HB ILE A 74 -1.740 -3.425 6.092 1.00 0.00 H new ATOM 0 HG12 ILE A 74 0.340 -5.196 4.777 1.00 0.00 H new ATOM 0 HG13 ILE A 74 0.223 -3.455 4.613 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -1.204 -5.388 7.475 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -2.860 -5.458 6.825 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -1.576 -6.453 6.099 1.00 0.00 H new ATOM 0 HD11 ILE A 74 1.904 -4.063 6.324 1.00 0.00 H new ATOM 0 HD12 ILE A 74 0.545 -3.189 7.070 1.00 0.00 H new ATOM 0 HD13 ILE A 74 0.665 -4.956 7.236 1.00 0.00 H new ATOM 1125 N ALA A 75 -4.659 -4.538 4.751 1.00 0.00 N ATOM 1126 CA ALA A 75 -5.961 -5.157 4.937 1.00 0.00 C ATOM 1127 C ALA A 75 -6.545 -5.527 3.573 1.00 0.00 C ATOM 1128 O ALA A 75 -7.435 -6.370 3.484 1.00 0.00 O ATOM 1129 CB ALA A 75 -6.869 -4.207 5.722 1.00 0.00 C ATOM 0 H ALA A 75 -4.652 -3.522 4.844 1.00 0.00 H new ATOM 0 HA ALA A 75 -5.870 -6.076 5.516 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -7.846 -4.670 5.862 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -6.423 -3.999 6.695 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -6.985 -3.275 5.169 1.00 0.00 H new ATOM 1135 N LYS A 76 -6.019 -4.878 2.544 1.00 0.00 N ATOM 1136 CA LYS A 76 -6.478 -5.129 1.188 1.00 0.00 C ATOM 1137 C LYS A 76 -5.841 -6.420 0.670 1.00 0.00 C ATOM 1138 O LYS A 76 -6.459 -7.155 -0.098 1.00 0.00 O ATOM 1139 CB LYS A 76 -6.213 -3.912 0.300 1.00 0.00 C ATOM 1140 CG LYS A 76 -7.228 -3.836 -0.843 1.00 0.00 C ATOM 1141 CD LYS A 76 -8.636 -3.564 -0.308 1.00 0.00 C ATOM 1142 CE LYS A 76 -9.568 -3.100 -1.429 1.00 0.00 C ATOM 1143 NZ LYS A 76 -10.342 -4.242 -1.966 1.00 0.00 N ATOM 0 H LYS A 76 -5.280 -4.179 2.622 1.00 0.00 H new ATOM 0 HA LYS A 76 -7.558 -5.277 1.171 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -6.265 -3.002 0.898 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -5.204 -3.968 -0.108 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -6.940 -3.047 -1.538 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -7.222 -4.771 -1.403 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -9.035 -4.468 0.151 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -8.592 -2.803 0.472 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -10.249 -2.337 -1.051 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -8.985 -2.640 -2.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -10.969 -3.909 -2.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -9.688 -4.957 -2.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -10.913 -4.663 -1.205 1.00 0.00 H new ATOM 1157 N VAL A 77 -4.614 -6.655 1.111 1.00 0.00 N ATOM 1158 CA VAL A 77 -3.887 -7.844 0.700 1.00 0.00 C ATOM 1159 C VAL A 77 -4.413 -9.052 1.477 1.00 0.00 C ATOM 1160 O VAL A 77 -4.433 -10.168 0.959 1.00 0.00 O ATOM 1161 CB VAL A 77 -2.383 -7.626 0.882 1.00 0.00 C ATOM 1162 CG1 VAL A 77 -1.587 -8.814 0.339 1.00 0.00 C ATOM 1163 CG2 VAL A 77 -1.935 -6.319 0.223 1.00 0.00 C ATOM 0 H VAL A 77 -4.105 -6.043 1.749 1.00 0.00 H new ATOM 0 HA VAL A 77 -4.048 -8.043 -0.359 1.00 0.00 H new ATOM 0 HB VAL A 77 -2.183 -7.549 1.951 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -0.521 -8.633 0.481 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -1.876 -9.720 0.872 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -1.796 -8.937 -0.724 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -0.863 -6.188 0.367 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -2.156 -6.355 -0.844 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.467 -5.482 0.676 1.00 0.00 H new ATOM 1173 N GLU A 78 -4.828 -8.789 2.709 1.00 0.00 N ATOM 1174 CA GLU A 78 -5.353 -9.841 3.562 1.00 0.00 C ATOM 1175 C GLU A 78 -6.804 -10.153 3.188 1.00 0.00 C ATOM 1176 O GLU A 78 -7.255 -11.288 3.332 1.00 0.00 O ATOM 1177 CB GLU A 78 -5.238 -9.457 5.038 1.00 0.00 C ATOM 1178 CG GLU A 78 -3.785 -9.530 5.512 1.00 0.00 C ATOM 1179 CD GLU A 78 -3.464 -10.911 6.087 1.00 0.00 C ATOM 1180 OE1 GLU A 78 -4.367 -11.477 6.740 1.00 0.00 O ATOM 1181 OE2 GLU A 78 -2.324 -11.369 5.860 1.00 0.00 O ATOM 0 H GLU A 78 -4.811 -7.863 3.136 1.00 0.00 H new ATOM 0 HA GLU A 78 -4.757 -10.740 3.406 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -5.622 -8.448 5.186 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -5.855 -10.124 5.640 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -3.116 -9.315 4.679 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -3.607 -8.767 6.269 1.00 0.00 H new ATOM 1188 N GLN A 79 -7.494 -9.125 2.714 1.00 0.00 N ATOM 1189 CA GLN A 79 -8.884 -9.276 2.318 1.00 0.00 C ATOM 1190 C GLN A 79 -8.979 -9.578 0.822 1.00 0.00 C ATOM 1191 O GLN A 79 -10.005 -9.313 0.196 1.00 0.00 O ATOM 1192 CB GLN A 79 -9.694 -8.029 2.680 1.00 0.00 C ATOM 1193 CG GLN A 79 -11.165 -8.381 2.915 1.00 0.00 C ATOM 1194 CD GLN A 79 -11.974 -7.135 3.281 1.00 0.00 C ATOM 1195 OE1 GLN A 79 -12.539 -6.461 2.436 1.00 0.00 O ATOM 1196 NE2 GLN A 79 -11.998 -6.869 4.583 1.00 0.00 N ATOM 0 H GLN A 79 -7.116 -8.185 2.595 1.00 0.00 H new ATOM 0 HA GLN A 79 -9.310 -10.117 2.865 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -9.279 -7.568 3.576 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -9.615 -7.294 1.879 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -11.581 -8.839 2.018 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -11.243 -9.118 3.714 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -11.503 -7.475 5.237 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -12.512 -6.058 4.929 1.00 0.00 H new ATOM 1205 N ALA A 80 -7.897 -10.128 0.291 1.00 0.00 N ATOM 1206 CA ALA A 80 -7.847 -10.470 -1.120 1.00 0.00 C ATOM 1207 C ALA A 80 -7.582 -11.969 -1.269 1.00 0.00 C ATOM 1208 O ALA A 80 -8.198 -12.632 -2.102 1.00 0.00 O ATOM 1209 CB ALA A 80 -6.781 -9.617 -1.814 1.00 0.00 C ATOM 0 H ALA A 80 -7.048 -10.345 0.813 1.00 0.00 H new ATOM 0 HA ALA A 80 -8.801 -10.255 -1.601 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -6.743 -9.873 -2.873 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -7.031 -8.562 -1.705 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -5.809 -9.808 -1.359 1.00 0.00 H new ATOM 1215 N GLN A 81 -6.664 -12.459 -0.449 1.00 0.00 N ATOM 1216 CA GLN A 81 -6.310 -13.869 -0.478 1.00 0.00 C ATOM 1217 C GLN A 81 -7.560 -14.726 -0.689 1.00 0.00 C ATOM 1218 O GLN A 81 -7.602 -15.881 -0.271 1.00 0.00 O ATOM 1219 CB GLN A 81 -5.574 -14.276 0.800 1.00 0.00 C ATOM 1220 CG GLN A 81 -4.240 -13.539 0.923 1.00 0.00 C ATOM 1221 CD GLN A 81 -3.381 -13.749 -0.326 1.00 0.00 C ATOM 1222 OE1 GLN A 81 -3.418 -14.784 -0.969 1.00 0.00 O ATOM 1223 NE2 GLN A 81 -2.606 -12.711 -0.630 1.00 0.00 N ATOM 0 H GLN A 81 -6.154 -11.905 0.240 1.00 0.00 H new ATOM 0 HA GLN A 81 -5.633 -14.037 -1.316 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -6.196 -14.056 1.668 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -5.400 -15.352 0.797 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -4.421 -12.474 1.070 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -3.703 -13.895 1.802 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -2.624 -11.873 -0.048 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -1.994 -12.753 -1.445 1.00 0.00 H new TER 1232 GLN A 81