USER MOD reduce.3.24.130724 H: found=0, std=0, add=491, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 410 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 14 MET CE :methyl -151:sc= -0.073 (180deg=-1.4!) USER MOD Set 1.2: A 34 HIS : no HD1:sc= -0.91 X(o=-0.98,f=-0.76) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 135:sc= -0.0608 (180deg=-0.131) USER MOD Single : A 11 TYR OH : rot -51:sc= 0.644 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0254) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.128 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= -0.122 K(o=-0.12,f=-2!) USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 ASN : amide:sc= -0.36 K(o=-0.36,f=-2.9!) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot -150:sc= -3.61! USER MOD Single : A 63 SER OG : rot -150:sc= -0.157 USER MOD ----------------------------------------------------------------- ATOM 33 N LYS A 4 5.503 5.393 10.126 1.00 0.00 N ATOM 34 CA LYS A 4 5.126 4.753 8.876 1.00 0.00 C ATOM 35 C LYS A 4 5.685 5.563 7.705 1.00 0.00 C ATOM 36 O LYS A 4 5.114 5.558 6.615 1.00 0.00 O ATOM 37 CB LYS A 4 3.611 4.548 8.815 1.00 0.00 C ATOM 38 CG LYS A 4 3.267 3.152 8.292 1.00 0.00 C ATOM 39 CD LYS A 4 3.205 2.138 9.436 1.00 0.00 C ATOM 40 CE LYS A 4 2.574 0.824 8.971 1.00 0.00 C ATOM 41 NZ LYS A 4 1.097 0.922 8.993 1.00 0.00 N ATOM 0 HA LYS A 4 5.562 3.756 8.811 1.00 0.00 H new ATOM 0 HB2 LYS A 4 3.182 4.684 9.808 1.00 0.00 H new ATOM 0 HB3 LYS A 4 3.164 5.303 8.168 1.00 0.00 H new ATOM 0 HG2 LYS A 4 2.309 3.180 7.774 1.00 0.00 H new ATOM 0 HG3 LYS A 4 4.014 2.838 7.563 1.00 0.00 H new ATOM 0 HD2 LYS A 4 4.210 1.949 9.814 1.00 0.00 H new ATOM 0 HD3 LYS A 4 2.626 2.551 10.262 1.00 0.00 H new ATOM 0 HE2 LYS A 4 2.914 0.587 7.963 1.00 0.00 H new ATOM 0 HE3 LYS A 4 2.900 0.009 9.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 0.685 0.022 8.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 0.777 1.126 9.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 0.790 1.687 8.359 1.00 0.00 H new ATOM 51 N ILE A 5 6.793 6.239 7.970 1.00 0.00 N ATOM 52 CA ILE A 5 7.435 7.052 6.950 1.00 0.00 C ATOM 53 C ILE A 5 8.030 6.140 5.876 1.00 0.00 C ATOM 54 O ILE A 5 8.121 6.524 4.711 1.00 0.00 O ATOM 55 CB ILE A 5 8.454 8.001 7.585 1.00 0.00 C ATOM 56 CG1 ILE A 5 8.614 9.272 6.750 1.00 0.00 C ATOM 57 CG2 ILE A 5 9.791 7.294 7.818 1.00 0.00 C ATOM 58 CD1 ILE A 5 8.978 8.934 5.303 1.00 0.00 C ATOM 0 H ILE A 5 7.263 6.241 8.875 1.00 0.00 H new ATOM 0 HA ILE A 5 6.703 7.691 6.456 1.00 0.00 H new ATOM 0 HB ILE A 5 8.077 8.304 8.562 1.00 0.00 H new ATOM 0 HG12 ILE A 5 7.687 9.845 6.771 1.00 0.00 H new ATOM 0 HG13 ILE A 5 9.389 9.903 7.186 1.00 0.00 H new ATOM 0 HG21 ILE A 5 10.497 7.991 8.270 1.00 0.00 H new ATOM 0 HG22 ILE A 5 9.642 6.445 8.485 1.00 0.00 H new ATOM 0 HG23 ILE A 5 10.188 6.942 6.865 1.00 0.00 H new ATOM 0 HD11 ILE A 5 9.086 9.855 4.730 1.00 0.00 H new ATOM 0 HD12 ILE A 5 9.918 8.382 5.284 1.00 0.00 H new ATOM 0 HD13 ILE A 5 8.190 8.323 4.863 1.00 0.00 H new ATOM 69 N GLY A 6 8.421 4.949 6.306 1.00 0.00 N ATOM 70 CA GLY A 6 9.004 3.979 5.396 1.00 0.00 C ATOM 71 C GLY A 6 7.954 3.436 4.426 1.00 0.00 C ATOM 72 O GLY A 6 8.051 3.646 3.217 1.00 0.00 O ATOM 0 H GLY A 6 8.345 4.634 7.273 1.00 0.00 H new ATOM 0 HA2 GLY A 6 9.816 4.443 4.836 1.00 0.00 H new ATOM 0 HA3 GLY A 6 9.438 3.157 5.965 1.00 0.00 H new ATOM 76 N LEU A 7 6.972 2.749 4.990 1.00 0.00 N ATOM 77 CA LEU A 7 5.904 2.174 4.190 1.00 0.00 C ATOM 78 C LEU A 7 5.283 3.266 3.316 1.00 0.00 C ATOM 79 O LEU A 7 4.970 3.030 2.150 1.00 0.00 O ATOM 80 CB LEU A 7 4.893 1.453 5.084 1.00 0.00 C ATOM 81 CG LEU A 7 4.763 -0.056 4.868 1.00 0.00 C ATOM 82 CD1 LEU A 7 6.096 -0.763 5.119 1.00 0.00 C ATOM 83 CD2 LEU A 7 3.636 -0.637 5.723 1.00 0.00 C ATOM 0 H LEU A 7 6.893 2.577 5.992 1.00 0.00 H new ATOM 0 HA LEU A 7 6.299 1.413 3.517 1.00 0.00 H new ATOM 0 HB2 LEU A 7 5.167 1.629 6.124 1.00 0.00 H new ATOM 0 HB3 LEU A 7 3.914 1.907 4.931 1.00 0.00 H new ATOM 0 HG LEU A 7 4.498 -0.230 3.825 1.00 0.00 H new ATOM 0 HD11 LEU A 7 5.975 -1.834 4.959 1.00 0.00 H new ATOM 0 HD12 LEU A 7 6.848 -0.376 4.432 1.00 0.00 H new ATOM 0 HD13 LEU A 7 6.415 -0.584 6.146 1.00 0.00 H new ATOM 0 HD21 LEU A 7 3.565 -1.711 5.550 1.00 0.00 H new ATOM 0 HD22 LEU A 7 3.846 -0.452 6.776 1.00 0.00 H new ATOM 0 HD23 LEU A 7 2.693 -0.163 5.452 1.00 0.00 H new ATOM 94 N LYS A 8 5.123 4.438 3.913 1.00 0.00 N ATOM 95 CA LYS A 8 4.545 5.567 3.204 1.00 0.00 C ATOM 96 C LYS A 8 5.431 5.919 2.008 1.00 0.00 C ATOM 97 O LYS A 8 4.931 6.159 0.910 1.00 0.00 O ATOM 98 CB LYS A 8 4.310 6.738 4.161 1.00 0.00 C ATOM 99 CG LYS A 8 3.572 7.879 3.460 1.00 0.00 C ATOM 100 CD LYS A 8 4.551 8.955 2.986 1.00 0.00 C ATOM 101 CE LYS A 8 4.624 10.109 3.988 1.00 0.00 C ATOM 102 NZ LYS A 8 5.574 9.791 5.078 1.00 0.00 N ATOM 0 H LYS A 8 5.384 4.630 4.880 1.00 0.00 H new ATOM 0 HA LYS A 8 3.563 5.307 2.809 1.00 0.00 H new ATOM 0 HB2 LYS A 8 3.731 6.399 5.020 1.00 0.00 H new ATOM 0 HB3 LYS A 8 5.266 7.098 4.542 1.00 0.00 H new ATOM 0 HG2 LYS A 8 3.015 7.488 2.608 1.00 0.00 H new ATOM 0 HG3 LYS A 8 2.844 8.319 4.142 1.00 0.00 H new ATOM 0 HD2 LYS A 8 5.541 8.519 2.855 1.00 0.00 H new ATOM 0 HD3 LYS A 8 4.238 9.333 2.013 1.00 0.00 H new ATOM 0 HE2 LYS A 8 4.937 11.021 3.479 1.00 0.00 H new ATOM 0 HE3 LYS A 8 3.635 10.300 4.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 6.181 10.616 5.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 5.045 9.552 5.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 6.165 8.982 4.799 1.00 0.00 H new ATOM 112 N VAL A 9 6.732 5.940 2.261 1.00 0.00 N ATOM 113 CA VAL A 9 7.692 6.260 1.218 1.00 0.00 C ATOM 114 C VAL A 9 7.482 5.316 0.032 1.00 0.00 C ATOM 115 O VAL A 9 7.297 5.766 -1.098 1.00 0.00 O ATOM 116 CB VAL A 9 9.113 6.206 1.781 1.00 0.00 C ATOM 117 CG1 VAL A 9 10.134 5.954 0.669 1.00 0.00 C ATOM 118 CG2 VAL A 9 9.446 7.484 2.552 1.00 0.00 C ATOM 0 H VAL A 9 7.143 5.741 3.173 1.00 0.00 H new ATOM 0 HA VAL A 9 7.539 7.277 0.856 1.00 0.00 H new ATOM 0 HB VAL A 9 9.165 5.371 2.479 1.00 0.00 H new ATOM 0 HG11 VAL A 9 11.136 5.920 1.096 1.00 0.00 H new ATOM 0 HG12 VAL A 9 9.915 5.004 0.182 1.00 0.00 H new ATOM 0 HG13 VAL A 9 10.079 6.758 -0.064 1.00 0.00 H new ATOM 0 HG21 VAL A 9 10.462 7.420 2.942 1.00 0.00 H new ATOM 0 HG22 VAL A 9 9.367 8.342 1.885 1.00 0.00 H new ATOM 0 HG23 VAL A 9 8.747 7.602 3.380 1.00 0.00 H new ATOM 128 N LEU A 10 7.520 4.026 0.330 1.00 0.00 N ATOM 129 CA LEU A 10 7.336 3.015 -0.699 1.00 0.00 C ATOM 130 C LEU A 10 5.950 3.176 -1.325 1.00 0.00 C ATOM 131 O LEU A 10 5.821 3.265 -2.544 1.00 0.00 O ATOM 132 CB LEU A 10 7.596 1.619 -0.129 1.00 0.00 C ATOM 133 CG LEU A 10 8.842 0.902 -0.654 1.00 0.00 C ATOM 134 CD1 LEU A 10 9.910 0.792 0.437 1.00 0.00 C ATOM 135 CD2 LEU A 10 8.482 -0.463 -1.243 1.00 0.00 C ATOM 0 H LEU A 10 7.675 3.657 1.268 1.00 0.00 H new ATOM 0 HA LEU A 10 8.064 3.148 -1.499 1.00 0.00 H new ATOM 0 HB2 LEU A 10 7.677 1.700 0.955 1.00 0.00 H new ATOM 0 HB3 LEU A 10 6.727 0.995 -0.338 1.00 0.00 H new ATOM 0 HG LEU A 10 9.266 1.499 -1.462 1.00 0.00 H new ATOM 0 HD11 LEU A 10 10.785 0.279 0.039 1.00 0.00 H new ATOM 0 HD12 LEU A 10 10.195 1.790 0.769 1.00 0.00 H new ATOM 0 HD13 LEU A 10 9.512 0.229 1.281 1.00 0.00 H new ATOM 0 HD21 LEU A 10 9.385 -0.951 -1.609 1.00 0.00 H new ATOM 0 HD22 LEU A 10 8.022 -1.082 -0.473 1.00 0.00 H new ATOM 0 HD23 LEU A 10 7.782 -0.330 -2.068 1.00 0.00 H new ATOM 146 N TYR A 11 4.945 3.208 -0.460 1.00 0.00 N ATOM 147 CA TYR A 11 3.573 3.357 -0.912 1.00 0.00 C ATOM 148 C TYR A 11 3.419 4.594 -1.800 1.00 0.00 C ATOM 149 O TYR A 11 3.027 4.485 -2.961 1.00 0.00 O ATOM 150 CB TYR A 11 2.730 3.542 0.351 1.00 0.00 C ATOM 151 CG TYR A 11 1.436 4.327 0.126 1.00 0.00 C ATOM 152 CD1 TYR A 11 0.804 4.279 -1.100 1.00 0.00 C ATOM 153 CD2 TYR A 11 0.901 5.084 1.150 1.00 0.00 C ATOM 154 CE1 TYR A 11 -0.414 5.018 -1.311 1.00 0.00 C ATOM 155 CE2 TYR A 11 -0.316 5.822 0.937 1.00 0.00 C ATOM 156 CZ TYR A 11 -0.914 5.753 -0.281 1.00 0.00 C ATOM 157 OH TYR A 11 -2.064 6.451 -0.481 1.00 0.00 O ATOM 0 H TYR A 11 5.055 3.133 0.551 1.00 0.00 H new ATOM 0 HA TYR A 11 3.265 2.490 -1.496 1.00 0.00 H new ATOM 0 HB2 TYR A 11 2.482 2.561 0.757 1.00 0.00 H new ATOM 0 HB3 TYR A 11 3.329 4.056 1.103 1.00 0.00 H new ATOM 0 HD1 TYR A 11 1.223 3.688 -1.901 1.00 0.00 H new ATOM 0 HD2 TYR A 11 1.395 5.122 2.109 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -0.919 4.989 -2.265 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -0.745 6.418 1.729 1.00 0.00 H new ATOM 0 HH TYR A 11 -1.983 6.987 -1.297 1.00 0.00 H new ATOM 166 N LYS A 12 3.736 5.742 -1.219 1.00 0.00 N ATOM 167 CA LYS A 12 3.637 6.998 -1.943 1.00 0.00 C ATOM 168 C LYS A 12 4.426 6.893 -3.249 1.00 0.00 C ATOM 169 O LYS A 12 4.065 7.513 -4.248 1.00 0.00 O ATOM 170 CB LYS A 12 4.075 8.164 -1.053 1.00 0.00 C ATOM 171 CG LYS A 12 4.297 9.432 -1.881 1.00 0.00 C ATOM 172 CD LYS A 12 5.656 9.396 -2.584 1.00 0.00 C ATOM 173 CE LYS A 12 6.305 10.781 -2.594 1.00 0.00 C ATOM 174 NZ LYS A 12 6.261 11.365 -3.952 1.00 0.00 N ATOM 0 H LYS A 12 4.061 5.829 -0.256 1.00 0.00 H new ATOM 0 HA LYS A 12 2.601 7.202 -2.212 1.00 0.00 H new ATOM 0 HB2 LYS A 12 3.317 8.350 -0.292 1.00 0.00 H new ATOM 0 HB3 LYS A 12 4.994 7.901 -0.530 1.00 0.00 H new ATOM 0 HG2 LYS A 12 3.503 9.531 -2.621 1.00 0.00 H new ATOM 0 HG3 LYS A 12 4.241 10.308 -1.234 1.00 0.00 H new ATOM 0 HD2 LYS A 12 6.312 8.687 -2.079 1.00 0.00 H new ATOM 0 HD3 LYS A 12 5.531 9.042 -3.607 1.00 0.00 H new ATOM 0 HE2 LYS A 12 5.788 11.436 -1.893 1.00 0.00 H new ATOM 0 HE3 LYS A 12 7.339 10.707 -2.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 6.706 12.305 -3.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 6.775 10.747 -4.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 5.272 11.454 -4.260 1.00 0.00 H new ATOM 184 N LEU A 13 5.487 6.101 -3.200 1.00 0.00 N ATOM 185 CA LEU A 13 6.329 5.906 -4.368 1.00 0.00 C ATOM 186 C LEU A 13 5.674 4.885 -5.299 1.00 0.00 C ATOM 187 O LEU A 13 5.880 4.922 -6.512 1.00 0.00 O ATOM 188 CB LEU A 13 7.752 5.531 -3.946 1.00 0.00 C ATOM 189 CG LEU A 13 8.717 5.178 -5.080 1.00 0.00 C ATOM 190 CD1 LEU A 13 10.171 5.347 -4.635 1.00 0.00 C ATOM 191 CD2 LEU A 13 8.441 3.772 -5.617 1.00 0.00 C ATOM 0 H LEU A 13 5.783 5.587 -2.370 1.00 0.00 H new ATOM 0 HA LEU A 13 6.422 6.835 -4.930 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.174 6.363 -3.383 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.696 4.681 -3.266 1.00 0.00 H new ATOM 0 HG LEU A 13 8.549 5.875 -5.901 1.00 0.00 H new ATOM 0 HD11 LEU A 13 10.836 5.090 -5.459 1.00 0.00 H new ATOM 0 HD12 LEU A 13 10.343 6.382 -4.339 1.00 0.00 H new ATOM 0 HD13 LEU A 13 10.371 4.690 -3.789 1.00 0.00 H new ATOM 0 HD21 LEU A 13 9.140 3.546 -6.422 1.00 0.00 H new ATOM 0 HD22 LEU A 13 8.565 3.045 -4.814 1.00 0.00 H new ATOM 0 HD23 LEU A 13 7.421 3.722 -5.998 1.00 0.00 H new ATOM 202 N MET A 14 4.898 3.995 -4.697 1.00 0.00 N ATOM 203 CA MET A 14 4.211 2.964 -5.457 1.00 0.00 C ATOM 204 C MET A 14 3.048 3.556 -6.255 1.00 0.00 C ATOM 205 O MET A 14 2.961 3.365 -7.468 1.00 0.00 O ATOM 206 CB MET A 14 3.683 1.892 -4.502 1.00 0.00 C ATOM 207 CG MET A 14 4.821 1.009 -3.987 1.00 0.00 C ATOM 208 SD MET A 14 4.477 -0.704 -4.348 1.00 0.00 S ATOM 209 CE MET A 14 6.076 -1.420 -4.011 1.00 0.00 C ATOM 0 H MET A 14 4.730 3.967 -3.691 1.00 0.00 H new ATOM 0 HA MET A 14 4.919 2.521 -6.157 1.00 0.00 H new ATOM 0 HB2 MET A 14 3.177 2.366 -3.661 1.00 0.00 H new ATOM 0 HB3 MET A 14 2.943 1.276 -5.014 1.00 0.00 H new ATOM 0 HG2 MET A 14 5.761 1.305 -4.452 1.00 0.00 H new ATOM 0 HG3 MET A 14 4.940 1.146 -2.912 1.00 0.00 H new ATOM 0 HE1 MET A 14 6.216 -2.305 -4.632 1.00 0.00 H new ATOM 0 HE2 MET A 14 6.855 -0.692 -4.236 1.00 0.00 H new ATOM 0 HE3 MET A 14 6.134 -1.701 -2.960 1.00 0.00 H new ATOM 217 N ASP A 15 2.182 4.262 -5.544 1.00 0.00 N ATOM 218 CA ASP A 15 1.027 4.883 -6.170 1.00 0.00 C ATOM 219 C ASP A 15 1.489 5.719 -7.365 1.00 0.00 C ATOM 220 O ASP A 15 1.858 6.882 -7.207 1.00 0.00 O ATOM 221 CB ASP A 15 0.303 5.812 -5.193 1.00 0.00 C ATOM 222 CG ASP A 15 -0.755 6.717 -5.826 1.00 0.00 C ATOM 223 OD1 ASP A 15 -1.011 6.532 -7.035 1.00 0.00 O ATOM 224 OD2 ASP A 15 -1.287 7.573 -5.086 1.00 0.00 O ATOM 0 H ASP A 15 2.257 4.418 -4.539 1.00 0.00 H new ATOM 0 HA ASP A 15 0.347 4.091 -6.484 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -0.173 5.205 -4.423 1.00 0.00 H new ATOM 0 HB3 ASP A 15 1.043 6.437 -4.694 1.00 0.00 H new ATOM 228 N VAL A 16 1.453 5.095 -8.533 1.00 0.00 N ATOM 229 CA VAL A 16 1.863 5.767 -9.753 1.00 0.00 C ATOM 230 C VAL A 16 0.643 5.968 -10.654 1.00 0.00 C ATOM 231 O VAL A 16 0.585 6.927 -11.423 1.00 0.00 O ATOM 232 CB VAL A 16 2.985 4.980 -10.433 1.00 0.00 C ATOM 233 CG1 VAL A 16 2.483 3.618 -10.916 1.00 0.00 C ATOM 234 CG2 VAL A 16 3.596 5.779 -11.586 1.00 0.00 C ATOM 0 H VAL A 16 1.146 4.131 -8.660 1.00 0.00 H new ATOM 0 HA VAL A 16 2.267 6.754 -9.528 1.00 0.00 H new ATOM 0 HB VAL A 16 3.768 4.807 -9.694 1.00 0.00 H new ATOM 0 HG11 VAL A 16 3.300 3.078 -11.396 1.00 0.00 H new ATOM 0 HG12 VAL A 16 2.118 3.042 -10.066 1.00 0.00 H new ATOM 0 HG13 VAL A 16 1.673 3.761 -11.631 1.00 0.00 H new ATOM 0 HG21 VAL A 16 4.391 5.196 -12.052 1.00 0.00 H new ATOM 0 HG22 VAL A 16 2.826 5.998 -12.325 1.00 0.00 H new ATOM 0 HG23 VAL A 16 4.007 6.713 -11.204 1.00 0.00 H new ATOM 244 N ASP A 17 -0.302 5.048 -10.531 1.00 0.00 N ATOM 245 CA ASP A 17 -1.518 5.112 -11.324 1.00 0.00 C ATOM 246 C ASP A 17 -1.985 6.566 -11.419 1.00 0.00 C ATOM 247 O ASP A 17 -2.278 7.058 -12.507 1.00 0.00 O ATOM 248 CB ASP A 17 -2.640 4.295 -10.680 1.00 0.00 C ATOM 249 CG ASP A 17 -4.020 4.478 -11.317 1.00 0.00 C ATOM 250 OD1 ASP A 17 -4.188 3.990 -12.455 1.00 0.00 O ATOM 251 OD2 ASP A 17 -4.874 5.099 -10.649 1.00 0.00 O ATOM 0 H ASP A 17 -0.250 4.253 -9.894 1.00 0.00 H new ATOM 0 HA ASP A 17 -1.298 4.706 -12.311 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -2.372 3.239 -10.725 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -2.705 4.563 -9.625 1.00 0.00 H new ATOM 255 N GLY A 18 -2.037 7.212 -10.264 1.00 0.00 N ATOM 256 CA GLY A 18 -2.464 8.600 -10.203 1.00 0.00 C ATOM 257 C GLY A 18 -3.848 8.722 -9.563 1.00 0.00 C ATOM 258 O GLY A 18 -4.738 9.365 -10.117 1.00 0.00 O ATOM 0 H GLY A 18 -1.791 6.801 -9.364 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -1.742 9.181 -9.629 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -2.486 9.022 -11.208 1.00 0.00 H new ATOM 262 N ASP A 19 -3.988 8.091 -8.405 1.00 0.00 N ATOM 263 CA ASP A 19 -5.249 8.120 -7.685 1.00 0.00 C ATOM 264 C ASP A 19 -5.024 8.718 -6.295 1.00 0.00 C ATOM 265 O ASP A 19 -5.818 9.536 -5.831 1.00 0.00 O ATOM 266 CB ASP A 19 -5.814 6.710 -7.507 1.00 0.00 C ATOM 267 CG ASP A 19 -6.817 6.275 -8.576 1.00 0.00 C ATOM 268 OD1 ASP A 19 -6.557 6.587 -9.758 1.00 0.00 O ATOM 269 OD2 ASP A 19 -7.822 5.641 -8.187 1.00 0.00 O ATOM 0 H ASP A 19 -3.248 7.557 -7.949 1.00 0.00 H new ATOM 0 HA ASP A 19 -5.953 8.720 -8.262 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -4.986 6.002 -7.498 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -6.296 6.649 -6.531 1.00 0.00 H new ATOM 273 N GLY A 20 -3.937 8.288 -5.669 1.00 0.00 N ATOM 274 CA GLY A 20 -3.598 8.772 -4.342 1.00 0.00 C ATOM 275 C GLY A 20 -3.723 7.655 -3.303 1.00 0.00 C ATOM 276 O GLY A 20 -3.018 7.658 -2.295 1.00 0.00 O ATOM 0 H GLY A 20 -3.281 7.610 -6.057 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -2.580 9.161 -4.342 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -4.256 9.599 -4.073 1.00 0.00 H new ATOM 280 N LYS A 21 -4.625 6.726 -3.586 1.00 0.00 N ATOM 281 CA LYS A 21 -4.851 5.606 -2.689 1.00 0.00 C ATOM 282 C LYS A 21 -4.057 4.395 -3.182 1.00 0.00 C ATOM 283 O LYS A 21 -3.782 4.272 -4.375 1.00 0.00 O ATOM 284 CB LYS A 21 -6.350 5.338 -2.534 1.00 0.00 C ATOM 285 CG LYS A 21 -7.105 6.624 -2.199 1.00 0.00 C ATOM 286 CD LYS A 21 -7.683 7.266 -3.462 1.00 0.00 C ATOM 287 CE LYS A 21 -7.631 8.793 -3.376 1.00 0.00 C ATOM 288 NZ LYS A 21 -8.521 9.282 -2.299 1.00 0.00 N ATOM 0 H LYS A 21 -5.207 6.726 -4.423 1.00 0.00 H new ATOM 0 HA LYS A 21 -4.487 5.840 -1.688 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -6.744 4.911 -3.456 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -6.512 4.602 -1.747 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -7.910 6.405 -1.497 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -6.433 7.326 -1.705 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -7.123 6.928 -4.334 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -8.714 6.941 -3.600 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -6.608 9.118 -3.186 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -7.932 9.227 -4.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -8.553 10.321 -2.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -9.479 8.903 -2.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -8.157 8.965 -1.378 1.00 0.00 H new ATOM 298 N LEU A 22 -3.710 3.530 -2.240 1.00 0.00 N ATOM 299 CA LEU A 22 -2.953 2.333 -2.563 1.00 0.00 C ATOM 300 C LEU A 22 -3.918 1.160 -2.750 1.00 0.00 C ATOM 301 O LEU A 22 -4.256 0.471 -1.789 1.00 0.00 O ATOM 302 CB LEU A 22 -1.874 2.080 -1.509 1.00 0.00 C ATOM 303 CG LEU A 22 -0.600 1.393 -2.005 1.00 0.00 C ATOM 304 CD1 LEU A 22 -0.055 2.085 -3.255 1.00 0.00 C ATOM 305 CD2 LEU A 22 0.447 1.312 -0.893 1.00 0.00 C ATOM 0 H LEU A 22 -3.940 3.635 -1.252 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.420 2.462 -3.505 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.598 3.036 -1.064 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.306 1.471 -0.715 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.851 0.370 -2.287 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.851 1.577 -3.587 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.803 2.047 -4.047 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.176 3.125 -3.024 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.343 0.819 -1.272 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.700 2.318 -0.558 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.045 0.741 -0.056 1.00 0.00 H new ATOM 316 N THR A 23 -4.333 0.969 -3.993 1.00 0.00 N ATOM 317 CA THR A 23 -5.251 -0.109 -4.318 1.00 0.00 C ATOM 318 C THR A 23 -4.478 -1.370 -4.704 1.00 0.00 C ATOM 319 O THR A 23 -3.292 -1.303 -5.022 1.00 0.00 O ATOM 320 CB THR A 23 -6.192 0.387 -5.418 1.00 0.00 C ATOM 321 OG1 THR A 23 -5.541 0.011 -6.629 1.00 0.00 O ATOM 322 CG2 THR A 23 -6.257 1.915 -5.490 1.00 0.00 C ATOM 0 H THR A 23 -4.050 1.543 -4.788 1.00 0.00 H new ATOM 0 HA THR A 23 -5.855 -0.388 -3.454 1.00 0.00 H new ATOM 0 HB THR A 23 -7.192 -0.011 -5.245 1.00 0.00 H new ATOM 0 HG1 THR A 23 -6.085 0.293 -7.394 1.00 0.00 H new ATOM 0 HG21 THR A 23 -6.938 2.213 -6.287 1.00 0.00 H new ATOM 0 HG22 THR A 23 -6.616 2.309 -4.539 1.00 0.00 H new ATOM 0 HG23 THR A 23 -5.263 2.312 -5.695 1.00 0.00 H new ATOM 330 N LYS A 24 -5.181 -2.493 -4.664 1.00 0.00 N ATOM 331 CA LYS A 24 -4.575 -3.768 -5.005 1.00 0.00 C ATOM 332 C LYS A 24 -4.077 -3.721 -6.451 1.00 0.00 C ATOM 333 O LYS A 24 -2.885 -3.882 -6.707 1.00 0.00 O ATOM 334 CB LYS A 24 -5.548 -4.916 -4.727 1.00 0.00 C ATOM 335 CG LYS A 24 -4.799 -6.236 -4.536 1.00 0.00 C ATOM 336 CD LYS A 24 -5.304 -7.299 -5.514 1.00 0.00 C ATOM 337 CE LYS A 24 -4.877 -8.700 -5.069 1.00 0.00 C ATOM 338 NZ LYS A 24 -5.882 -9.703 -5.483 1.00 0.00 N ATOM 0 H LYS A 24 -6.165 -2.546 -4.400 1.00 0.00 H new ATOM 0 HA LYS A 24 -3.707 -3.957 -4.374 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -6.133 -4.693 -3.835 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -6.252 -5.009 -5.554 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -3.731 -6.077 -4.685 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -4.929 -6.587 -3.512 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -6.391 -7.250 -5.581 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -4.914 -7.096 -6.511 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -3.908 -8.947 -5.503 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -4.756 -8.723 -3.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -5.577 -10.648 -5.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -6.799 -9.475 -5.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -5.977 -9.692 -6.519 1.00 0.00 H new ATOM 348 N GLU A 25 -5.016 -3.499 -7.359 1.00 0.00 N ATOM 349 CA GLU A 25 -4.688 -3.428 -8.773 1.00 0.00 C ATOM 350 C GLU A 25 -3.378 -2.664 -8.976 1.00 0.00 C ATOM 351 O GLU A 25 -2.432 -3.191 -9.559 1.00 0.00 O ATOM 352 CB GLU A 25 -5.826 -2.788 -9.569 1.00 0.00 C ATOM 353 CG GLU A 25 -6.689 -3.853 -10.247 1.00 0.00 C ATOM 354 CD GLU A 25 -7.886 -3.219 -10.960 1.00 0.00 C ATOM 355 OE1 GLU A 25 -8.752 -2.676 -10.240 1.00 0.00 O ATOM 356 OE2 GLU A 25 -7.905 -3.290 -12.207 1.00 0.00 O ATOM 0 H GLU A 25 -6.004 -3.366 -7.143 1.00 0.00 H new ATOM 0 HA GLU A 25 -4.555 -4.443 -9.147 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -6.444 -2.183 -8.905 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -5.414 -2.115 -10.322 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -6.087 -4.410 -10.965 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -7.041 -4.568 -9.503 1.00 0.00 H new ATOM 361 N GLU A 26 -3.365 -1.434 -8.484 1.00 0.00 N ATOM 362 CA GLU A 26 -2.188 -0.592 -8.604 1.00 0.00 C ATOM 363 C GLU A 26 -1.005 -1.224 -7.866 1.00 0.00 C ATOM 364 O GLU A 26 0.143 -1.071 -8.280 1.00 0.00 O ATOM 365 CB GLU A 26 -2.467 0.820 -8.084 1.00 0.00 C ATOM 366 CG GLU A 26 -1.251 1.726 -8.276 1.00 0.00 C ATOM 367 CD GLU A 26 -1.567 3.165 -7.862 1.00 0.00 C ATOM 368 OE1 GLU A 26 -2.548 3.335 -7.107 1.00 0.00 O ATOM 369 OE2 GLU A 26 -0.820 4.061 -8.309 1.00 0.00 O ATOM 0 H GLU A 26 -4.152 -1.000 -8.001 1.00 0.00 H new ATOM 0 HA GLU A 26 -1.931 -0.510 -9.660 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -3.325 1.241 -8.608 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -2.729 0.777 -7.027 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -0.416 1.349 -7.686 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -0.939 1.705 -9.320 1.00 0.00 H new ATOM 374 N VAL A 27 -1.327 -1.921 -6.786 1.00 0.00 N ATOM 375 CA VAL A 27 -0.307 -2.576 -5.986 1.00 0.00 C ATOM 376 C VAL A 27 0.282 -3.745 -6.779 1.00 0.00 C ATOM 377 O VAL A 27 1.433 -3.690 -7.210 1.00 0.00 O ATOM 378 CB VAL A 27 -0.891 -3.002 -4.639 1.00 0.00 C ATOM 379 CG1 VAL A 27 -0.414 -4.403 -4.252 1.00 0.00 C ATOM 380 CG2 VAL A 27 -0.548 -1.986 -3.547 1.00 0.00 C ATOM 0 H VAL A 27 -2.281 -2.046 -6.446 1.00 0.00 H new ATOM 0 HA VAL A 27 0.508 -1.887 -5.767 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.976 -3.034 -4.740 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.844 -4.681 -3.290 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.731 -5.118 -5.011 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.674 -4.410 -4.179 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.975 -2.313 -2.599 1.00 0.00 H new ATOM 0 HG22 VAL A 27 0.535 -1.908 -3.450 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.959 -1.012 -3.814 1.00 0.00 H new ATOM 390 N THR A 28 -0.533 -4.776 -6.945 1.00 0.00 N ATOM 391 CA THR A 28 -0.107 -5.956 -7.678 1.00 0.00 C ATOM 392 C THR A 28 0.684 -5.554 -8.925 1.00 0.00 C ATOM 393 O THR A 28 1.643 -6.226 -9.300 1.00 0.00 O ATOM 394 CB THR A 28 -1.349 -6.793 -7.991 1.00 0.00 C ATOM 395 OG1 THR A 28 -1.560 -7.557 -6.806 1.00 0.00 O ATOM 396 CG2 THR A 28 -1.091 -7.845 -9.071 1.00 0.00 C ATOM 0 H THR A 28 -1.486 -4.819 -6.584 1.00 0.00 H new ATOM 0 HA THR A 28 0.573 -6.566 -7.083 1.00 0.00 H new ATOM 0 HB THR A 28 -2.157 -6.136 -8.311 1.00 0.00 H new ATOM 0 HG1 THR A 28 -2.348 -8.128 -6.921 1.00 0.00 H new ATOM 0 HG21 THR A 28 -2.005 -8.410 -9.254 1.00 0.00 H new ATOM 0 HG22 THR A 28 -0.779 -7.352 -9.992 1.00 0.00 H new ATOM 0 HG23 THR A 28 -0.305 -8.523 -8.738 1.00 0.00 H new ATOM 404 N SER A 29 0.252 -4.458 -9.532 1.00 0.00 N ATOM 405 CA SER A 29 0.907 -3.958 -10.728 1.00 0.00 C ATOM 406 C SER A 29 2.343 -3.542 -10.403 1.00 0.00 C ATOM 407 O SER A 29 3.290 -4.041 -11.010 1.00 0.00 O ATOM 408 CB SER A 29 0.135 -2.780 -11.328 1.00 0.00 C ATOM 409 OG SER A 29 0.323 -2.680 -12.737 1.00 0.00 O ATOM 0 H SER A 29 -0.544 -3.903 -9.218 1.00 0.00 H new ATOM 0 HA SER A 29 0.926 -4.759 -11.468 1.00 0.00 H new ATOM 0 HB2 SER A 29 -0.927 -2.895 -11.111 1.00 0.00 H new ATOM 0 HB3 SER A 29 0.459 -1.854 -10.852 1.00 0.00 H new ATOM 0 HG SER A 29 -0.187 -1.918 -13.082 1.00 0.00 H new ATOM 414 N PHE A 30 2.459 -2.631 -9.448 1.00 0.00 N ATOM 415 CA PHE A 30 3.764 -2.143 -9.035 1.00 0.00 C ATOM 416 C PHE A 30 4.517 -3.203 -8.229 1.00 0.00 C ATOM 417 O PHE A 30 5.743 -3.279 -8.290 1.00 0.00 O ATOM 418 CB PHE A 30 3.523 -0.920 -8.148 1.00 0.00 C ATOM 419 CG PHE A 30 4.512 0.223 -8.382 1.00 0.00 C ATOM 420 CD1 PHE A 30 4.386 1.018 -9.480 1.00 0.00 C ATOM 421 CD2 PHE A 30 5.517 0.447 -7.494 1.00 0.00 C ATOM 422 CE1 PHE A 30 5.304 2.079 -9.697 1.00 0.00 C ATOM 423 CE2 PHE A 30 6.434 1.508 -7.711 1.00 0.00 C ATOM 424 CZ PHE A 30 6.309 2.302 -8.809 1.00 0.00 C ATOM 0 H PHE A 30 1.671 -2.218 -8.949 1.00 0.00 H new ATOM 0 HA PHE A 30 4.364 -1.899 -9.911 1.00 0.00 H new ATOM 0 HB2 PHE A 30 2.511 -0.553 -8.321 1.00 0.00 H new ATOM 0 HB3 PHE A 30 3.577 -1.225 -7.103 1.00 0.00 H new ATOM 0 HD1 PHE A 30 3.588 0.842 -10.186 1.00 0.00 H new ATOM 0 HD2 PHE A 30 5.617 -0.183 -6.623 1.00 0.00 H new ATOM 0 HE1 PHE A 30 5.204 2.709 -10.568 1.00 0.00 H new ATOM 0 HE2 PHE A 30 7.231 1.685 -7.004 1.00 0.00 H new ATOM 0 HZ PHE A 30 7.008 3.109 -8.975 1.00 0.00 H new ATOM 433 N PHE A 31 3.751 -3.994 -7.493 1.00 0.00 N ATOM 434 CA PHE A 31 4.331 -5.047 -6.675 1.00 0.00 C ATOM 435 C PHE A 31 4.669 -6.275 -7.522 1.00 0.00 C ATOM 436 O PHE A 31 5.464 -7.118 -7.110 1.00 0.00 O ATOM 437 CB PHE A 31 3.280 -5.435 -5.633 1.00 0.00 C ATOM 438 CG PHE A 31 3.318 -4.581 -4.365 1.00 0.00 C ATOM 439 CD1 PHE A 31 2.609 -3.422 -4.302 1.00 0.00 C ATOM 440 CD2 PHE A 31 4.060 -4.982 -3.298 1.00 0.00 C ATOM 441 CE1 PHE A 31 2.645 -2.630 -3.124 1.00 0.00 C ATOM 442 CE2 PHE A 31 4.096 -4.190 -2.119 1.00 0.00 C ATOM 443 CZ PHE A 31 3.388 -3.031 -2.058 1.00 0.00 C ATOM 0 H PHE A 31 2.734 -3.928 -7.445 1.00 0.00 H new ATOM 0 HA PHE A 31 5.252 -4.693 -6.212 1.00 0.00 H new ATOM 0 HB2 PHE A 31 2.290 -5.356 -6.083 1.00 0.00 H new ATOM 0 HB3 PHE A 31 3.423 -6.480 -5.359 1.00 0.00 H new ATOM 0 HD1 PHE A 31 2.018 -3.104 -5.148 1.00 0.00 H new ATOM 0 HD2 PHE A 31 4.622 -5.903 -3.347 1.00 0.00 H new ATOM 0 HE1 PHE A 31 2.082 -1.709 -3.075 1.00 0.00 H new ATOM 0 HE2 PHE A 31 4.685 -4.508 -1.272 1.00 0.00 H new ATOM 0 HZ PHE A 31 3.416 -2.428 -1.162 1.00 0.00 H new ATOM 452 N LYS A 32 4.048 -6.338 -8.691 1.00 0.00 N ATOM 453 CA LYS A 32 4.273 -7.449 -9.600 1.00 0.00 C ATOM 454 C LYS A 32 5.771 -7.570 -9.890 1.00 0.00 C ATOM 455 O LYS A 32 6.241 -8.623 -10.316 1.00 0.00 O ATOM 456 CB LYS A 32 3.413 -7.297 -10.857 1.00 0.00 C ATOM 457 CG LYS A 32 2.206 -8.236 -10.812 1.00 0.00 C ATOM 458 CD LYS A 32 2.363 -9.379 -11.817 1.00 0.00 C ATOM 459 CE LYS A 32 1.841 -8.972 -13.196 1.00 0.00 C ATOM 460 NZ LYS A 32 1.995 -10.085 -14.158 1.00 0.00 N ATOM 0 H LYS A 32 3.389 -5.637 -9.030 1.00 0.00 H new ATOM 0 HA LYS A 32 3.960 -8.386 -9.140 1.00 0.00 H new ATOM 0 HB2 LYS A 32 3.073 -6.265 -10.947 1.00 0.00 H new ATOM 0 HB3 LYS A 32 4.013 -7.513 -11.741 1.00 0.00 H new ATOM 0 HG2 LYS A 32 2.095 -8.643 -9.807 1.00 0.00 H new ATOM 0 HG3 LYS A 32 1.297 -7.676 -11.031 1.00 0.00 H new ATOM 0 HD2 LYS A 32 3.413 -9.662 -11.891 1.00 0.00 H new ATOM 0 HD3 LYS A 32 1.821 -10.256 -11.463 1.00 0.00 H new ATOM 0 HE2 LYS A 32 0.791 -8.688 -13.125 1.00 0.00 H new ATOM 0 HE3 LYS A 32 2.384 -8.097 -13.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 1.636 -9.792 -15.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 3.001 -10.337 -14.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 1.457 -10.910 -13.824 1.00 0.00 H new ATOM 470 N LYS A 33 6.478 -6.475 -9.648 1.00 0.00 N ATOM 471 CA LYS A 33 7.912 -6.446 -9.878 1.00 0.00 C ATOM 472 C LYS A 33 8.638 -6.862 -8.597 1.00 0.00 C ATOM 473 O LYS A 33 9.817 -7.209 -8.633 1.00 0.00 O ATOM 474 CB LYS A 33 8.341 -5.077 -10.412 1.00 0.00 C ATOM 475 CG LYS A 33 8.063 -4.962 -11.912 1.00 0.00 C ATOM 476 CD LYS A 33 8.183 -3.511 -12.381 1.00 0.00 C ATOM 477 CE LYS A 33 9.623 -3.012 -12.257 1.00 0.00 C ATOM 478 NZ LYS A 33 9.728 -1.995 -11.186 1.00 0.00 N ATOM 0 H LYS A 33 6.084 -5.603 -9.295 1.00 0.00 H new ATOM 0 HA LYS A 33 8.189 -7.165 -10.649 1.00 0.00 H new ATOM 0 HB2 LYS A 33 7.807 -4.291 -9.878 1.00 0.00 H new ATOM 0 HB3 LYS A 33 9.404 -4.926 -10.223 1.00 0.00 H new ATOM 0 HG2 LYS A 33 8.765 -5.586 -12.465 1.00 0.00 H new ATOM 0 HG3 LYS A 33 7.063 -5.337 -12.130 1.00 0.00 H new ATOM 0 HD2 LYS A 33 7.855 -3.432 -13.417 1.00 0.00 H new ATOM 0 HD3 LYS A 33 7.523 -2.878 -11.788 1.00 0.00 H new ATOM 0 HE2 LYS A 33 10.287 -3.849 -12.039 1.00 0.00 H new ATOM 0 HE3 LYS A 33 9.949 -2.585 -13.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 10.712 -1.666 -11.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 9.109 -1.190 -11.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 9.436 -2.414 -10.280 1.00 0.00 H new ATOM 488 N HIS A 34 7.904 -6.813 -7.496 1.00 0.00 N ATOM 489 CA HIS A 34 8.463 -7.180 -6.206 1.00 0.00 C ATOM 490 C HIS A 34 7.948 -8.561 -5.798 1.00 0.00 C ATOM 491 O HIS A 34 8.027 -9.512 -6.574 1.00 0.00 O ATOM 492 CB HIS A 34 8.168 -6.104 -5.159 1.00 0.00 C ATOM 493 CG HIS A 34 8.686 -4.733 -5.525 1.00 0.00 C ATOM 494 ND1 HIS A 34 8.555 -3.636 -4.692 1.00 0.00 N ATOM 495 CD2 HIS A 34 9.339 -4.295 -6.639 1.00 0.00 C ATOM 496 CE1 HIS A 34 9.105 -2.589 -5.290 1.00 0.00 C ATOM 497 NE2 HIS A 34 9.590 -3.000 -6.497 1.00 0.00 N ATOM 0 H HIS A 34 6.926 -6.524 -7.470 1.00 0.00 H new ATOM 0 HA HIS A 34 9.549 -7.243 -6.281 1.00 0.00 H new ATOM 0 HB2 HIS A 34 7.090 -6.045 -5.007 1.00 0.00 H new ATOM 0 HB3 HIS A 34 8.608 -6.406 -4.209 1.00 0.00 H new ATOM 0 HD2 HIS A 34 9.607 -4.900 -7.493 1.00 0.00 H new ATOM 0 HE1 HIS A 34 9.160 -1.587 -4.892 1.00 0.00 H new ATOM 0 HE2 HIS A 34 10.067 -2.409 -7.178 1.00 0.00 H new ATOM 504 N GLY A 35 7.432 -8.628 -4.579 1.00 0.00 N ATOM 505 CA GLY A 35 6.904 -9.878 -4.058 1.00 0.00 C ATOM 506 C GLY A 35 5.381 -9.814 -3.920 1.00 0.00 C ATOM 507 O GLY A 35 4.829 -10.223 -2.900 1.00 0.00 O ATOM 0 H GLY A 35 7.368 -7.838 -3.938 1.00 0.00 H new ATOM 0 HA2 GLY A 35 7.179 -10.698 -4.722 1.00 0.00 H new ATOM 0 HA3 GLY A 35 7.352 -10.090 -3.087 1.00 0.00 H new ATOM 511 N ILE A 36 4.746 -9.300 -4.963 1.00 0.00 N ATOM 512 CA ILE A 36 3.298 -9.178 -4.971 1.00 0.00 C ATOM 513 C ILE A 36 2.686 -10.365 -4.226 1.00 0.00 C ATOM 514 O ILE A 36 1.665 -10.222 -3.555 1.00 0.00 O ATOM 515 CB ILE A 36 2.782 -9.018 -6.403 1.00 0.00 C ATOM 516 CG1 ILE A 36 1.266 -8.811 -6.419 1.00 0.00 C ATOM 517 CG2 ILE A 36 3.208 -10.201 -7.274 1.00 0.00 C ATOM 518 CD1 ILE A 36 0.531 -10.112 -6.096 1.00 0.00 C ATOM 0 H ILE A 36 5.207 -8.963 -5.808 1.00 0.00 H new ATOM 0 HA ILE A 36 2.989 -8.276 -4.442 1.00 0.00 H new ATOM 0 HB ILE A 36 3.234 -8.123 -6.832 1.00 0.00 H new ATOM 0 HG12 ILE A 36 0.992 -8.045 -5.693 1.00 0.00 H new ATOM 0 HG13 ILE A 36 0.956 -8.447 -7.399 1.00 0.00 H new ATOM 0 HG21 ILE A 36 2.829 -10.063 -8.286 1.00 0.00 H new ATOM 0 HG22 ILE A 36 4.296 -10.261 -7.299 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.803 -11.124 -6.858 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -0.545 -9.936 -6.114 1.00 0.00 H new ATOM 0 HD12 ILE A 36 0.788 -10.869 -6.837 1.00 0.00 H new ATOM 0 HD13 ILE A 36 0.825 -10.460 -5.106 1.00 0.00 H new ATOM 529 N GLU A 37 3.336 -11.510 -4.368 1.00 0.00 N ATOM 530 CA GLU A 37 2.869 -12.723 -3.717 1.00 0.00 C ATOM 531 C GLU A 37 2.576 -12.452 -2.240 1.00 0.00 C ATOM 532 O GLU A 37 1.418 -12.433 -1.826 1.00 0.00 O ATOM 533 CB GLU A 37 3.882 -13.857 -3.876 1.00 0.00 C ATOM 534 CG GLU A 37 3.562 -14.711 -5.105 1.00 0.00 C ATOM 535 CD GLU A 37 4.351 -16.021 -5.084 1.00 0.00 C ATOM 536 OE1 GLU A 37 3.824 -16.992 -4.499 1.00 0.00 O ATOM 537 OE2 GLU A 37 5.464 -16.021 -5.651 1.00 0.00 O ATOM 0 H GLU A 37 4.183 -11.624 -4.925 1.00 0.00 H new ATOM 0 HA GLU A 37 1.944 -13.038 -4.200 1.00 0.00 H new ATOM 0 HB2 GLU A 37 4.886 -13.442 -3.968 1.00 0.00 H new ATOM 0 HB3 GLU A 37 3.876 -14.482 -2.983 1.00 0.00 H new ATOM 0 HG2 GLU A 37 2.494 -14.926 -5.134 1.00 0.00 H new ATOM 0 HG3 GLU A 37 3.800 -14.154 -6.011 1.00 0.00 H new ATOM 542 N LYS A 38 3.646 -12.249 -1.485 1.00 0.00 N ATOM 543 CA LYS A 38 3.519 -11.980 -0.063 1.00 0.00 C ATOM 544 C LYS A 38 2.572 -10.796 0.145 1.00 0.00 C ATOM 545 O LYS A 38 1.761 -10.800 1.071 1.00 0.00 O ATOM 546 CB LYS A 38 4.897 -11.784 0.571 1.00 0.00 C ATOM 547 CG LYS A 38 5.723 -10.763 -0.216 1.00 0.00 C ATOM 548 CD LYS A 38 6.854 -10.195 0.642 1.00 0.00 C ATOM 549 CE LYS A 38 7.026 -8.694 0.398 1.00 0.00 C ATOM 550 NZ LYS A 38 7.696 -8.055 1.553 1.00 0.00 N ATOM 0 H LYS A 38 4.605 -12.265 -1.832 1.00 0.00 H new ATOM 0 HA LYS A 38 3.078 -12.836 0.448 1.00 0.00 H new ATOM 0 HB2 LYS A 38 4.783 -11.448 1.601 1.00 0.00 H new ATOM 0 HB3 LYS A 38 5.425 -12.737 0.603 1.00 0.00 H new ATOM 0 HG2 LYS A 38 6.139 -11.235 -1.106 1.00 0.00 H new ATOM 0 HG3 LYS A 38 5.078 -9.953 -0.556 1.00 0.00 H new ATOM 0 HD2 LYS A 38 6.641 -10.374 1.696 1.00 0.00 H new ATOM 0 HD3 LYS A 38 7.785 -10.713 0.413 1.00 0.00 H new ATOM 0 HE2 LYS A 38 7.613 -8.531 -0.506 1.00 0.00 H new ATOM 0 HE3 LYS A 38 6.052 -8.232 0.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 7.805 -7.037 1.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 7.121 -8.194 2.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 8.633 -8.484 1.692 1.00 0.00 H new ATOM 560 N VAL A 39 2.708 -9.811 -0.730 1.00 0.00 N ATOM 561 CA VAL A 39 1.875 -8.622 -0.653 1.00 0.00 C ATOM 562 C VAL A 39 0.407 -9.023 -0.821 1.00 0.00 C ATOM 563 O VAL A 39 -0.469 -8.473 -0.154 1.00 0.00 O ATOM 564 CB VAL A 39 2.335 -7.594 -1.688 1.00 0.00 C ATOM 565 CG1 VAL A 39 1.685 -6.232 -1.433 1.00 0.00 C ATOM 566 CG2 VAL A 39 3.860 -7.478 -1.705 1.00 0.00 C ATOM 0 H VAL A 39 3.382 -9.811 -1.496 1.00 0.00 H new ATOM 0 HA VAL A 39 1.974 -8.148 0.323 1.00 0.00 H new ATOM 0 HB VAL A 39 2.014 -7.941 -2.670 1.00 0.00 H new ATOM 0 HG11 VAL A 39 2.028 -5.519 -2.182 1.00 0.00 H new ATOM 0 HG12 VAL A 39 0.601 -6.329 -1.494 1.00 0.00 H new ATOM 0 HG13 VAL A 39 1.962 -5.877 -0.440 1.00 0.00 H new ATOM 0 HG21 VAL A 39 4.161 -6.741 -2.449 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.212 -7.165 -0.722 1.00 0.00 H new ATOM 0 HG23 VAL A 39 4.296 -8.445 -1.956 1.00 0.00 H new ATOM 576 N ALA A 40 0.184 -9.975 -1.713 1.00 0.00 N ATOM 577 CA ALA A 40 -1.162 -10.455 -1.976 1.00 0.00 C ATOM 578 C ALA A 40 -1.755 -11.027 -0.688 1.00 0.00 C ATOM 579 O ALA A 40 -2.887 -10.709 -0.326 1.00 0.00 O ATOM 580 CB ALA A 40 -1.126 -11.483 -3.109 1.00 0.00 C ATOM 0 H ALA A 40 0.913 -10.428 -2.264 1.00 0.00 H new ATOM 0 HA ALA A 40 -1.805 -9.636 -2.300 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -2.136 -11.843 -3.306 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -0.724 -11.018 -4.009 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -0.492 -12.321 -2.820 1.00 0.00 H new ATOM 586 N GLU A 41 -0.965 -11.863 -0.030 1.00 0.00 N ATOM 587 CA GLU A 41 -1.397 -12.483 1.211 1.00 0.00 C ATOM 588 C GLU A 41 -1.570 -11.424 2.301 1.00 0.00 C ATOM 589 O GLU A 41 -2.584 -11.404 2.997 1.00 0.00 O ATOM 590 CB GLU A 41 -0.416 -13.569 1.653 1.00 0.00 C ATOM 591 CG GLU A 41 -1.077 -14.542 2.631 1.00 0.00 C ATOM 592 CD GLU A 41 -0.027 -15.298 3.447 1.00 0.00 C ATOM 593 OE1 GLU A 41 0.445 -14.713 4.445 1.00 0.00 O ATOM 594 OE2 GLU A 41 0.280 -16.444 3.054 1.00 0.00 O ATOM 0 H GLU A 41 -0.027 -12.126 -0.333 1.00 0.00 H new ATOM 0 HA GLU A 41 -2.362 -12.960 1.039 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -0.055 -14.114 0.781 1.00 0.00 H new ATOM 0 HB3 GLU A 41 0.453 -13.109 2.124 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -1.739 -13.995 3.302 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -1.695 -15.252 2.081 1.00 0.00 H new ATOM 599 N GLN A 42 -0.566 -10.568 2.416 1.00 0.00 N ATOM 600 CA GLN A 42 -0.594 -9.509 3.410 1.00 0.00 C ATOM 601 C GLN A 42 -1.752 -8.549 3.130 1.00 0.00 C ATOM 602 O GLN A 42 -2.513 -8.208 4.035 1.00 0.00 O ATOM 603 CB GLN A 42 0.740 -8.760 3.451 1.00 0.00 C ATOM 604 CG GLN A 42 0.937 -8.066 4.800 1.00 0.00 C ATOM 605 CD GLN A 42 1.936 -6.912 4.683 1.00 0.00 C ATOM 606 OE1 GLN A 42 2.251 -6.438 3.603 1.00 0.00 O ATOM 607 NE2 GLN A 42 2.413 -6.489 5.849 1.00 0.00 N ATOM 0 H GLN A 42 0.273 -10.586 1.836 1.00 0.00 H new ATOM 0 HA GLN A 42 -0.750 -9.961 4.389 1.00 0.00 H new ATOM 0 HB2 GLN A 42 1.559 -9.458 3.274 1.00 0.00 H new ATOM 0 HB3 GLN A 42 0.771 -8.022 2.650 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -0.019 -7.688 5.162 1.00 0.00 H new ATOM 0 HG3 GLN A 42 1.294 -8.787 5.535 1.00 0.00 H new ATOM 0 HE21 GLN A 42 2.107 -6.931 6.716 1.00 0.00 H new ATOM 0 HE22 GLN A 42 3.085 -5.723 5.877 1.00 0.00 H new ATOM 614 N VAL A 43 -1.850 -8.141 1.874 1.00 0.00 N ATOM 615 CA VAL A 43 -2.903 -7.228 1.463 1.00 0.00 C ATOM 616 C VAL A 43 -4.260 -7.919 1.617 1.00 0.00 C ATOM 617 O VAL A 43 -5.256 -7.273 1.940 1.00 0.00 O ATOM 618 CB VAL A 43 -2.642 -6.733 0.039 1.00 0.00 C ATOM 619 CG1 VAL A 43 -3.879 -6.043 -0.538 1.00 0.00 C ATOM 620 CG2 VAL A 43 -1.426 -5.806 -0.004 1.00 0.00 C ATOM 0 H VAL A 43 -1.217 -8.426 1.127 1.00 0.00 H new ATOM 0 HA VAL A 43 -2.913 -6.345 2.102 1.00 0.00 H new ATOM 0 HB VAL A 43 -2.424 -7.601 -0.583 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.666 -5.701 -1.551 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -4.711 -6.747 -0.560 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -4.143 -5.189 0.085 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -1.262 -5.468 -1.027 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -1.603 -4.944 0.639 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.545 -6.345 0.346 1.00 0.00 H new ATOM 630 N MET A 44 -4.255 -9.222 1.376 1.00 0.00 N ATOM 631 CA MET A 44 -5.473 -10.007 1.483 1.00 0.00 C ATOM 632 C MET A 44 -6.045 -9.940 2.901 1.00 0.00 C ATOM 633 O MET A 44 -7.244 -9.733 3.081 1.00 0.00 O ATOM 634 CB MET A 44 -5.175 -11.463 1.121 1.00 0.00 C ATOM 635 CG MET A 44 -5.635 -11.778 -0.305 1.00 0.00 C ATOM 636 SD MET A 44 -6.194 -13.470 -0.405 1.00 0.00 S ATOM 637 CE MET A 44 -5.028 -14.112 -1.595 1.00 0.00 C ATOM 0 H MET A 44 -3.427 -9.754 1.107 1.00 0.00 H new ATOM 0 HA MET A 44 -6.210 -9.596 0.794 1.00 0.00 H new ATOM 0 HB2 MET A 44 -4.106 -11.653 1.212 1.00 0.00 H new ATOM 0 HB3 MET A 44 -5.678 -12.127 1.824 1.00 0.00 H new ATOM 0 HG2 MET A 44 -6.440 -11.102 -0.594 1.00 0.00 H new ATOM 0 HG3 MET A 44 -4.815 -11.615 -1.005 1.00 0.00 H new ATOM 0 HE1 MET A 44 -5.236 -15.167 -1.775 1.00 0.00 H new ATOM 0 HE2 MET A 44 -5.120 -13.559 -2.530 1.00 0.00 H new ATOM 0 HE3 MET A 44 -4.015 -14.003 -1.207 1.00 0.00 H new ATOM 645 N LYS A 45 -5.161 -10.119 3.870 1.00 0.00 N ATOM 646 CA LYS A 45 -5.563 -10.082 5.267 1.00 0.00 C ATOM 647 C LYS A 45 -5.690 -8.625 5.718 1.00 0.00 C ATOM 648 O LYS A 45 -6.355 -8.336 6.711 1.00 0.00 O ATOM 649 CB LYS A 45 -4.602 -10.909 6.123 1.00 0.00 C ATOM 650 CG LYS A 45 -4.800 -12.406 5.878 1.00 0.00 C ATOM 651 CD LYS A 45 -4.927 -13.167 7.199 1.00 0.00 C ATOM 652 CE LYS A 45 -6.063 -14.190 7.136 1.00 0.00 C ATOM 653 NZ LYS A 45 -6.425 -14.648 8.496 1.00 0.00 N ATOM 0 H LYS A 45 -4.167 -10.290 3.717 1.00 0.00 H new ATOM 0 HA LYS A 45 -6.543 -10.542 5.394 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -3.573 -10.632 5.892 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -4.764 -10.685 7.177 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -5.695 -12.564 5.276 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -3.958 -12.799 5.308 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -3.988 -13.674 7.422 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -5.111 -12.464 8.011 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -6.933 -13.747 6.652 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -5.759 -15.042 6.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -7.197 -15.342 8.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -5.598 -15.090 8.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -6.735 -13.835 9.065 1.00 0.00 H new ATOM 663 N ALA A 46 -5.042 -7.748 4.966 1.00 0.00 N ATOM 664 CA ALA A 46 -5.074 -6.328 5.276 1.00 0.00 C ATOM 665 C ALA A 46 -6.408 -5.740 4.812 1.00 0.00 C ATOM 666 O ALA A 46 -7.107 -5.089 5.586 1.00 0.00 O ATOM 667 CB ALA A 46 -3.874 -5.637 4.627 1.00 0.00 C ATOM 0 H ALA A 46 -4.492 -7.993 4.143 1.00 0.00 H new ATOM 0 HA ALA A 46 -4.999 -6.167 6.352 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -3.898 -4.572 4.859 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.952 -6.072 5.012 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.916 -5.774 3.546 1.00 0.00 H new ATOM 673 N ASP A 47 -6.721 -5.991 3.548 1.00 0.00 N ATOM 674 CA ASP A 47 -7.958 -5.494 2.971 1.00 0.00 C ATOM 675 C ASP A 47 -8.955 -6.647 2.842 1.00 0.00 C ATOM 676 O ASP A 47 -9.383 -6.982 1.739 1.00 0.00 O ATOM 677 CB ASP A 47 -7.721 -4.914 1.575 1.00 0.00 C ATOM 678 CG ASP A 47 -8.855 -4.038 1.037 1.00 0.00 C ATOM 679 OD1 ASP A 47 -9.896 -3.974 1.724 1.00 0.00 O ATOM 680 OD2 ASP A 47 -8.653 -3.454 -0.050 1.00 0.00 O ATOM 0 H ASP A 47 -6.139 -6.532 2.908 1.00 0.00 H new ATOM 0 HA ASP A 47 -8.345 -4.712 3.625 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -6.804 -4.324 1.594 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -7.556 -5.737 0.879 1.00 0.00 H new ATOM 684 N ALA A 48 -9.297 -7.222 3.986 1.00 0.00 N ATOM 685 CA ALA A 48 -10.236 -8.330 4.014 1.00 0.00 C ATOM 686 C ALA A 48 -11.599 -7.827 4.493 1.00 0.00 C ATOM 687 O ALA A 48 -12.634 -8.222 3.959 1.00 0.00 O ATOM 688 CB ALA A 48 -9.681 -9.447 4.902 1.00 0.00 C ATOM 0 H ALA A 48 -8.941 -6.941 4.900 1.00 0.00 H new ATOM 0 HA ALA A 48 -10.371 -8.744 3.015 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -10.385 -10.279 4.923 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -8.727 -9.790 4.502 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -9.535 -9.069 5.914 1.00 0.00 H new ATOM 694 N ASN A 49 -11.555 -6.962 5.496 1.00 0.00 N ATOM 695 CA ASN A 49 -12.773 -6.401 6.054 1.00 0.00 C ATOM 696 C ASN A 49 -13.615 -5.797 4.927 1.00 0.00 C ATOM 697 O ASN A 49 -14.822 -5.618 5.076 1.00 0.00 O ATOM 698 CB ASN A 49 -12.459 -5.287 7.056 1.00 0.00 C ATOM 699 CG ASN A 49 -12.807 -5.719 8.482 1.00 0.00 C ATOM 700 OD1 ASN A 49 -13.165 -6.856 8.745 1.00 0.00 O ATOM 701 ND2 ASN A 49 -12.684 -4.751 9.385 1.00 0.00 N ATOM 0 H ASN A 49 -10.695 -6.636 5.936 1.00 0.00 H new ATOM 0 HA ASN A 49 -13.311 -7.202 6.561 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -11.402 -5.028 6.998 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -13.021 -4.390 6.796 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -12.894 -4.938 10.365 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -12.379 -3.821 9.097 1.00 0.00 H new ATOM 707 N GLY A 50 -12.942 -5.502 3.823 1.00 0.00 N ATOM 708 CA GLY A 50 -13.613 -4.923 2.672 1.00 0.00 C ATOM 709 C GLY A 50 -12.847 -5.226 1.382 1.00 0.00 C ATOM 710 O GLY A 50 -12.662 -6.387 1.024 1.00 0.00 O ATOM 0 H GLY A 50 -11.941 -5.653 3.702 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -14.626 -5.319 2.600 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -13.701 -3.844 2.802 1.00 0.00 H new ATOM 714 N ASP A 51 -12.421 -4.159 0.721 1.00 0.00 N ATOM 715 CA ASP A 51 -11.678 -4.295 -0.520 1.00 0.00 C ATOM 716 C ASP A 51 -11.465 -2.911 -1.136 1.00 0.00 C ATOM 717 O ASP A 51 -11.916 -2.647 -2.249 1.00 0.00 O ATOM 718 CB ASP A 51 -12.447 -5.149 -1.531 1.00 0.00 C ATOM 719 CG ASP A 51 -13.896 -4.718 -1.771 1.00 0.00 C ATOM 720 OD1 ASP A 51 -14.301 -3.716 -1.144 1.00 0.00 O ATOM 721 OD2 ASP A 51 -14.563 -5.401 -2.578 1.00 0.00 O ATOM 0 H ASP A 51 -12.576 -3.197 1.022 1.00 0.00 H new ATOM 0 HA ASP A 51 -10.726 -4.774 -0.293 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -11.915 -5.127 -2.482 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -12.443 -6.183 -1.188 1.00 0.00 H new ATOM 725 N GLY A 52 -10.775 -2.064 -0.385 1.00 0.00 N ATOM 726 CA GLY A 52 -10.496 -0.714 -0.844 1.00 0.00 C ATOM 727 C GLY A 52 -8.999 -0.515 -1.085 1.00 0.00 C ATOM 728 O GLY A 52 -8.295 -1.457 -1.449 1.00 0.00 O ATOM 0 H GLY A 52 -10.401 -2.287 0.538 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -11.045 -0.518 -1.765 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -10.848 0.005 -0.104 1.00 0.00 H new ATOM 732 N TYR A 53 -8.555 0.715 -0.872 1.00 0.00 N ATOM 733 CA TYR A 53 -7.154 1.049 -1.062 1.00 0.00 C ATOM 734 C TYR A 53 -6.560 1.663 0.208 1.00 0.00 C ATOM 735 O TYR A 53 -7.292 2.028 1.126 1.00 0.00 O ATOM 736 CB TYR A 53 -7.116 2.088 -2.183 1.00 0.00 C ATOM 737 CG TYR A 53 -8.309 3.046 -2.183 1.00 0.00 C ATOM 738 CD1 TYR A 53 -8.618 3.764 -1.046 1.00 0.00 C ATOM 739 CD2 TYR A 53 -9.076 3.193 -3.322 1.00 0.00 C ATOM 740 CE1 TYR A 53 -9.742 4.666 -1.046 1.00 0.00 C ATOM 741 CE2 TYR A 53 -10.199 4.094 -3.322 1.00 0.00 C ATOM 742 CZ TYR A 53 -10.476 4.786 -2.184 1.00 0.00 C ATOM 743 OH TYR A 53 -11.537 5.637 -2.185 1.00 0.00 O ATOM 0 H TYR A 53 -9.141 1.493 -0.569 1.00 0.00 H new ATOM 0 HA TYR A 53 -6.576 0.156 -1.300 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -6.197 2.668 -2.096 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -7.078 1.572 -3.142 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -8.017 3.650 -0.156 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -8.833 2.632 -4.213 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -9.995 5.233 -0.163 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -10.808 4.218 -4.205 1.00 0.00 H new ATOM 0 HH TYR A 53 -11.968 5.622 -3.065 1.00 0.00 H new ATOM 752 N ILE A 54 -5.238 1.757 0.219 1.00 0.00 N ATOM 753 CA ILE A 54 -4.538 2.320 1.360 1.00 0.00 C ATOM 754 C ILE A 54 -4.196 3.784 1.072 1.00 0.00 C ATOM 755 O ILE A 54 -3.262 4.070 0.324 1.00 0.00 O ATOM 756 CB ILE A 54 -3.321 1.463 1.719 1.00 0.00 C ATOM 757 CG1 ILE A 54 -3.576 0.657 2.994 1.00 0.00 C ATOM 758 CG2 ILE A 54 -2.059 2.321 1.824 1.00 0.00 C ATOM 759 CD1 ILE A 54 -4.294 -0.656 2.677 1.00 0.00 C ATOM 0 H ILE A 54 -4.634 1.453 -0.544 1.00 0.00 H new ATOM 0 HA ILE A 54 -5.178 2.309 2.242 1.00 0.00 H new ATOM 0 HB ILE A 54 -3.156 0.747 0.914 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -2.629 0.447 3.491 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -4.177 1.246 3.687 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -1.209 1.688 2.080 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -1.872 2.811 0.869 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -2.196 3.076 2.598 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -4.463 -1.210 3.600 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -5.251 -0.442 2.202 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -3.680 -1.253 2.003 1.00 0.00 H new ATOM 770 N THR A 55 -4.970 4.670 1.680 1.00 0.00 N ATOM 771 CA THR A 55 -4.760 6.096 1.498 1.00 0.00 C ATOM 772 C THR A 55 -3.876 6.653 2.615 1.00 0.00 C ATOM 773 O THR A 55 -4.065 6.321 3.784 1.00 0.00 O ATOM 774 CB THR A 55 -6.133 6.769 1.416 1.00 0.00 C ATOM 775 OG1 THR A 55 -6.504 6.964 2.778 1.00 0.00 O ATOM 776 CG2 THR A 55 -7.211 5.834 0.866 1.00 0.00 C ATOM 0 H THR A 55 -5.744 4.428 2.299 1.00 0.00 H new ATOM 0 HA THR A 55 -4.225 6.302 0.571 1.00 0.00 H new ATOM 0 HB THR A 55 -6.066 7.656 0.786 1.00 0.00 H new ATOM 0 HG1 THR A 55 -7.480 6.931 2.859 1.00 0.00 H new ATOM 0 HG21 THR A 55 -8.165 6.360 0.829 1.00 0.00 H new ATOM 0 HG22 THR A 55 -6.935 5.511 -0.138 1.00 0.00 H new ATOM 0 HG23 THR A 55 -7.303 4.963 1.515 1.00 0.00 H new ATOM 784 N LEU A 56 -2.930 7.489 2.215 1.00 0.00 N ATOM 785 CA LEU A 56 -2.015 8.095 3.169 1.00 0.00 C ATOM 786 C LEU A 56 -2.787 8.486 4.431 1.00 0.00 C ATOM 787 O LEU A 56 -2.336 8.224 5.545 1.00 0.00 O ATOM 788 CB LEU A 56 -1.262 9.259 2.523 1.00 0.00 C ATOM 789 CG LEU A 56 0.263 9.225 2.652 1.00 0.00 C ATOM 790 CD1 LEU A 56 0.921 10.140 1.617 1.00 0.00 C ATOM 791 CD2 LEU A 56 0.701 9.563 4.078 1.00 0.00 C ATOM 0 H LEU A 56 -2.777 7.761 1.244 1.00 0.00 H new ATOM 0 HA LEU A 56 -1.250 7.380 3.472 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -1.517 9.287 1.464 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -1.623 10.189 2.963 1.00 0.00 H new ATOM 0 HG LEU A 56 0.601 8.210 2.445 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.004 10.097 1.730 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.648 9.811 0.614 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.580 11.164 1.768 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.789 9.532 4.142 1.00 0.00 H new ATOM 0 HD22 LEU A 56 0.351 10.562 4.339 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.276 8.837 4.771 1.00 0.00 H new ATOM 802 N GLU A 57 -3.937 9.107 4.214 1.00 0.00 N ATOM 803 CA GLU A 57 -4.776 9.537 5.320 1.00 0.00 C ATOM 804 C GLU A 57 -5.116 8.349 6.221 1.00 0.00 C ATOM 805 O GLU A 57 -5.040 8.452 7.445 1.00 0.00 O ATOM 806 CB GLU A 57 -6.047 10.221 4.812 1.00 0.00 C ATOM 807 CG GLU A 57 -6.809 9.311 3.847 1.00 0.00 C ATOM 808 CD GLU A 57 -8.105 9.975 3.378 1.00 0.00 C ATOM 809 OE1 GLU A 57 -8.052 11.192 3.096 1.00 0.00 O ATOM 810 OE2 GLU A 57 -9.122 9.251 3.309 1.00 0.00 O ATOM 0 H GLU A 57 -4.308 9.323 3.289 1.00 0.00 H new ATOM 0 HA GLU A 57 -4.221 10.268 5.908 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -6.687 10.480 5.655 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -5.787 11.153 4.310 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -6.182 9.081 2.986 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -7.037 8.365 4.337 1.00 0.00 H new ATOM 815 N GLU A 58 -5.484 7.249 5.582 1.00 0.00 N ATOM 816 CA GLU A 58 -5.835 6.042 6.311 1.00 0.00 C ATOM 817 C GLU A 58 -4.573 5.315 6.776 1.00 0.00 C ATOM 818 O GLU A 58 -4.517 4.816 7.899 1.00 0.00 O ATOM 819 CB GLU A 58 -6.715 5.124 5.460 1.00 0.00 C ATOM 820 CG GLU A 58 -7.286 3.978 6.299 1.00 0.00 C ATOM 821 CD GLU A 58 -8.808 4.084 6.408 1.00 0.00 C ATOM 822 OE1 GLU A 58 -9.472 3.786 5.392 1.00 0.00 O ATOM 823 OE2 GLU A 58 -9.273 4.461 7.506 1.00 0.00 O ATOM 0 H GLU A 58 -5.547 7.168 4.567 1.00 0.00 H new ATOM 0 HA GLU A 58 -6.410 6.328 7.192 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -7.530 5.700 5.022 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -6.131 4.718 4.634 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -7.016 3.023 5.848 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -6.844 3.997 7.295 1.00 0.00 H new ATOM 828 N PHE A 59 -3.589 5.279 5.889 1.00 0.00 N ATOM 829 CA PHE A 59 -2.329 4.620 6.194 1.00 0.00 C ATOM 830 C PHE A 59 -1.689 5.217 7.449 1.00 0.00 C ATOM 831 O PHE A 59 -1.072 4.502 8.236 1.00 0.00 O ATOM 832 CB PHE A 59 -1.401 4.856 5.002 1.00 0.00 C ATOM 833 CG PHE A 59 -0.520 3.655 4.651 1.00 0.00 C ATOM 834 CD1 PHE A 59 -1.041 2.399 4.680 1.00 0.00 C ATOM 835 CD2 PHE A 59 0.783 3.843 4.311 1.00 0.00 C ATOM 836 CE1 PHE A 59 -0.224 1.284 4.355 1.00 0.00 C ATOM 837 CE2 PHE A 59 1.600 2.729 3.986 1.00 0.00 C ATOM 838 CZ PHE A 59 1.080 1.473 4.015 1.00 0.00 C ATOM 0 H PHE A 59 -3.638 5.695 4.959 1.00 0.00 H new ATOM 0 HA PHE A 59 -2.498 3.558 6.374 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -2.003 5.118 4.132 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -0.761 5.712 5.217 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -2.076 2.250 4.950 1.00 0.00 H new ATOM 0 HD2 PHE A 59 1.196 4.840 4.288 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -0.637 0.286 4.378 1.00 0.00 H new ATOM 0 HE2 PHE A 59 2.635 2.879 3.716 1.00 0.00 H new ATOM 0 HZ PHE A 59 1.702 0.625 3.768 1.00 0.00 H new ATOM 847 N LEU A 60 -1.860 6.523 7.598 1.00 0.00 N ATOM 848 CA LEU A 60 -1.306 7.223 8.745 1.00 0.00 C ATOM 849 C LEU A 60 -2.226 7.024 9.951 1.00 0.00 C ATOM 850 O LEU A 60 -1.772 6.627 11.023 1.00 0.00 O ATOM 851 CB LEU A 60 -1.051 8.693 8.402 1.00 0.00 C ATOM 852 CG LEU A 60 -0.194 9.475 9.399 1.00 0.00 C ATOM 853 CD1 LEU A 60 1.079 10.002 8.733 1.00 0.00 C ATOM 854 CD2 LEU A 60 -1.003 10.595 10.057 1.00 0.00 C ATOM 0 H LEU A 60 -2.374 7.114 6.944 1.00 0.00 H new ATOM 0 HA LEU A 60 -0.334 6.808 9.013 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.570 8.739 7.425 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -2.013 9.196 8.308 1.00 0.00 H new ATOM 0 HG LEU A 60 0.116 8.794 10.191 1.00 0.00 H new ATOM 0 HD11 LEU A 60 1.670 10.554 9.464 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.663 9.165 8.352 1.00 0.00 H new ATOM 0 HD13 LEU A 60 0.811 10.663 7.909 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.370 11.135 10.761 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.363 11.282 9.291 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -1.853 10.166 10.588 1.00 0.00 H new ATOM 865 N GLU A 61 -3.501 7.310 9.736 1.00 0.00 N ATOM 866 CA GLU A 61 -4.489 7.167 10.792 1.00 0.00 C ATOM 867 C GLU A 61 -4.345 5.804 11.473 1.00 0.00 C ATOM 868 O GLU A 61 -4.492 5.695 12.689 1.00 0.00 O ATOM 869 CB GLU A 61 -5.906 7.361 10.250 1.00 0.00 C ATOM 870 CG GLU A 61 -6.388 8.796 10.476 1.00 0.00 C ATOM 871 CD GLU A 61 -7.533 9.147 9.524 1.00 0.00 C ATOM 872 OE1 GLU A 61 -8.682 8.784 9.860 1.00 0.00 O ATOM 873 OE2 GLU A 61 -7.234 9.768 8.482 1.00 0.00 O ATOM 0 H GLU A 61 -3.873 7.640 8.846 1.00 0.00 H new ATOM 0 HA GLU A 61 -4.311 7.944 11.535 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -5.927 7.130 9.185 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -6.585 6.664 10.740 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -6.719 8.914 11.508 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -5.560 9.489 10.326 1.00 0.00 H new ATOM 878 N PHE A 62 -4.060 4.799 10.659 1.00 0.00 N ATOM 879 CA PHE A 62 -3.894 3.447 11.166 1.00 0.00 C ATOM 880 C PHE A 62 -2.523 3.273 11.822 1.00 0.00 C ATOM 881 O PHE A 62 -2.364 2.454 12.726 1.00 0.00 O ATOM 882 CB PHE A 62 -3.997 2.503 9.967 1.00 0.00 C ATOM 883 CG PHE A 62 -4.756 1.207 10.259 1.00 0.00 C ATOM 884 CD1 PHE A 62 -4.396 0.431 11.315 1.00 0.00 C ATOM 885 CD2 PHE A 62 -5.792 0.832 9.462 1.00 0.00 C ATOM 886 CE1 PHE A 62 -5.100 -0.771 11.587 1.00 0.00 C ATOM 887 CE2 PHE A 62 -6.497 -0.371 9.732 1.00 0.00 C ATOM 888 CZ PHE A 62 -6.136 -1.147 10.789 1.00 0.00 C ATOM 0 H PHE A 62 -3.940 4.894 9.651 1.00 0.00 H new ATOM 0 HA PHE A 62 -4.656 3.235 11.916 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -4.492 3.025 9.148 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -2.992 2.255 9.626 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -3.573 0.729 11.948 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -6.079 1.449 8.623 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -4.814 -1.387 12.427 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -7.319 -0.669 9.098 1.00 0.00 H new ATOM 0 HZ PHE A 62 -6.672 -2.062 10.995 1.00 0.00 H new ATOM 897 N SER A 63 -1.568 4.055 11.340 1.00 0.00 N ATOM 898 CA SER A 63 -0.215 3.996 11.869 1.00 0.00 C ATOM 899 C SER A 63 -0.171 4.622 13.263 1.00 0.00 C ATOM 900 O SER A 63 0.714 4.311 14.060 1.00 0.00 O ATOM 901 CB SER A 63 0.770 4.704 10.937 1.00 0.00 C ATOM 902 OG SER A 63 1.791 5.387 11.659 1.00 0.00 O ATOM 0 H SER A 63 -1.704 4.732 10.590 1.00 0.00 H new ATOM 0 HA SER A 63 0.081 2.949 11.939 1.00 0.00 H new ATOM 0 HB2 SER A 63 1.225 3.974 10.268 1.00 0.00 H new ATOM 0 HB3 SER A 63 0.230 5.415 10.312 1.00 0.00 H new ATOM 0 HG SER A 63 2.088 6.167 11.146 1.00 0.00 H new ATOM 907 N LEU A 64 -1.136 5.495 13.517 1.00 0.00 N ATOM 908 CA LEU A 64 -1.218 6.169 14.802 1.00 0.00 C ATOM 909 C LEU A 64 -1.796 5.206 15.840 1.00 0.00 C ATOM 910 O LEU A 64 -1.224 5.029 16.915 1.00 0.00 O ATOM 911 CB LEU A 64 -2.000 7.476 14.672 1.00 0.00 C ATOM 912 CG LEU A 64 -2.155 8.294 15.956 1.00 0.00 C ATOM 913 CD1 LEU A 64 -0.952 9.215 16.168 1.00 0.00 C ATOM 914 CD2 LEU A 64 -3.475 9.068 15.957 1.00 0.00 C ATOM 0 H LEU A 64 -1.868 5.751 12.854 1.00 0.00 H new ATOM 0 HA LEU A 64 -0.224 6.453 15.148 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -1.507 8.099 13.925 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.994 7.245 14.289 1.00 0.00 H new ATOM 0 HG LEU A 64 -2.185 7.604 16.799 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -1.088 9.785 17.087 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -0.044 8.616 16.243 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -0.866 9.901 15.325 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -3.560 9.641 16.880 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.499 9.747 15.105 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -4.307 8.368 15.886 1.00 0.00 H new