USER MOD reduce.3.24.130724 H: found=0, std=0, add=431, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 434 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 25 ASN : amide:sc= -1.77! C(o=-1.4!,f=-5.4!) USER MOD Set 1.2: A 28 THR OG1 : rot 2:sc= 0.33 USER MOD Set 2.1: A 24 LYS NZ :NH3+ 177:sc= -3.37! (180deg=-4.79!) USER MOD Set 2.2: A 58 ASN : amide:sc= 0.826 K(o=-2.5,f=-16!) USER MOD Set 3.1: A 5 ASN : amide:sc= 0.556 K(o=0.6,f=-1.6) USER MOD Set 3.2: A 6 HIS : no HD1:sc= -0.617 K(o=0.6,f=-0.88) USER MOD Set 3.3: A 13 THR OG1 : rot 79:sc= 0.663 USER MOD Set 4.1: A 1 ARG N :NH3+ 164:sc= 2.32 (180deg=1.07) USER MOD Set 4.2: A 18 GLN : amide:sc= -0.126! C(o=2.2!,f=-7.9!) USER MOD Single : A 4 TYR OH : rot 30:sc= -0.214 USER MOD Single : A 9 THR OG1 : rot 74:sc= 0.0725 USER MOD Single : A 10 LYS NZ :NH3+ -177:sc= -1.84! (180deg=-2!) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= 0.0329 X(o=0.033,f=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc=-0.00167 USER MOD Single : A 56 LYS NZ :NH3+ 163:sc= -0.8! (180deg=-2.41!) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 39.767 22.677 66.325 1.00 0.00 N ATOM 2 CA ARG A 1 38.949 23.959 66.030 1.00 0.00 C ATOM 3 C ARG A 1 38.976 24.202 64.489 1.00 0.00 C ATOM 4 O ARG A 1 40.057 24.024 63.932 1.00 0.00 O ATOM 5 CB ARG A 1 39.713 25.098 66.743 1.00 0.00 C ATOM 6 CG ARG A 1 39.024 26.468 66.900 1.00 0.00 C ATOM 7 CD ARG A 1 37.914 26.535 67.963 1.00 0.00 C ATOM 8 NE ARG A 1 38.155 26.229 69.392 1.00 0.00 N ATOM 9 CZ ARG A 1 39.251 26.277 70.136 1.00 0.00 C ATOM 10 NH1 ARG A 1 40.430 26.512 69.643 1.00 0.00 N ATOM 11 NH2 ARG A 1 39.143 26.057 71.419 1.00 0.00 N ATOM 0 H1 ARG A 1 39.996 22.637 67.339 1.00 0.00 H new ATOM 0 H2 ARG A 1 39.208 21.840 66.063 1.00 0.00 H new ATOM 0 H3 ARG A 1 40.647 22.692 65.772 1.00 0.00 H new ATOM 0 HA ARG A 1 37.914 23.894 66.365 1.00 0.00 H new ATOM 0 HB2 ARG A 1 39.977 24.745 67.740 1.00 0.00 H new ATOM 0 HB3 ARG A 1 40.647 25.258 66.204 1.00 0.00 H new ATOM 0 HG2 ARG A 1 39.783 27.211 67.146 1.00 0.00 H new ATOM 0 HG3 ARG A 1 38.599 26.753 65.938 1.00 0.00 H new ATOM 0 HD2 ARG A 1 37.509 27.546 67.926 1.00 0.00 H new ATOM 0 HD3 ARG A 1 37.124 25.862 67.630 1.00 0.00 H new ATOM 0 HE ARG A 1 37.323 25.925 69.898 1.00 0.00 H new ATOM 0 HH11 ARG A 1 40.542 26.670 68.641 1.00 0.00 H new ATOM 0 HH12 ARG A 1 41.244 26.539 70.258 1.00 0.00 H new ATOM 0 HH21 ARG A 1 38.230 25.854 71.827 1.00 0.00 H new ATOM 0 HH22 ARG A 1 39.971 26.088 72.013 1.00 0.00 H new ATOM 27 N ILE A 2 37.854 24.642 63.788 1.00 0.00 N ATOM 28 CA ILE A 2 37.934 24.955 62.324 1.00 0.00 C ATOM 29 C ILE A 2 37.680 26.508 62.163 1.00 0.00 C ATOM 30 O ILE A 2 36.584 26.994 62.443 1.00 0.00 O ATOM 31 CB ILE A 2 36.934 24.210 61.388 1.00 0.00 C ATOM 32 CG1 ILE A 2 36.900 22.663 61.542 1.00 0.00 C ATOM 33 CG2 ILE A 2 37.146 24.578 59.897 1.00 0.00 C ATOM 34 CD1 ILE A 2 38.254 21.940 61.507 1.00 0.00 C ATOM 0 H ILE A 2 36.933 24.778 64.204 1.00 0.00 H new ATOM 0 HA ILE A 2 38.920 24.615 62.008 1.00 0.00 H new ATOM 0 HB ILE A 2 35.962 24.570 61.725 1.00 0.00 H new ATOM 0 HG12 ILE A 2 36.411 22.425 62.487 1.00 0.00 H new ATOM 0 HG13 ILE A 2 36.275 22.255 60.748 1.00 0.00 H new ATOM 0 HG21 ILE A 2 36.427 24.035 59.283 1.00 0.00 H new ATOM 0 HG22 ILE A 2 37.002 25.650 59.763 1.00 0.00 H new ATOM 0 HG23 ILE A 2 38.158 24.308 59.596 1.00 0.00 H new ATOM 0 HD11 ILE A 2 38.097 20.868 61.624 1.00 0.00 H new ATOM 0 HD12 ILE A 2 38.745 22.133 60.553 1.00 0.00 H new ATOM 0 HD13 ILE A 2 38.883 22.305 62.319 1.00 0.00 H new ATOM 46 N CYS A 3 38.728 27.307 61.696 1.00 0.00 N ATOM 47 CA CYS A 3 38.463 28.677 61.198 1.00 0.00 C ATOM 48 C CYS A 3 39.038 28.757 59.736 1.00 0.00 C ATOM 49 O CYS A 3 40.018 28.101 59.392 1.00 0.00 O ATOM 50 CB CYS A 3 39.001 29.938 61.922 1.00 0.00 C ATOM 51 SG CYS A 3 38.457 30.378 63.617 1.00 0.00 S ATOM 0 H CYS A 3 39.706 27.019 61.665 1.00 0.00 H new ATOM 0 HA CYS A 3 37.386 28.750 61.351 1.00 0.00 H new ATOM 0 HB2 CYS A 3 40.087 29.846 61.952 1.00 0.00 H new ATOM 0 HB3 CYS A 3 38.771 30.791 61.284 1.00 0.00 H new ATOM 56 N TYR A 4 38.421 29.638 58.861 1.00 0.00 N ATOM 57 CA TYR A 4 38.748 29.570 57.425 1.00 0.00 C ATOM 58 C TYR A 4 39.822 30.601 56.980 1.00 0.00 C ATOM 59 O TYR A 4 39.827 31.751 57.414 1.00 0.00 O ATOM 60 CB TYR A 4 37.484 29.888 56.611 1.00 0.00 C ATOM 61 CG TYR A 4 36.271 29.177 57.157 1.00 0.00 C ATOM 62 CD1 TYR A 4 36.133 27.800 57.045 1.00 0.00 C ATOM 63 CD2 TYR A 4 35.278 29.873 57.839 1.00 0.00 C ATOM 64 CE1 TYR A 4 34.989 27.148 57.463 1.00 0.00 C ATOM 65 CE2 TYR A 4 34.129 29.241 58.282 1.00 0.00 C ATOM 66 CZ TYR A 4 33.934 27.875 58.021 1.00 0.00 C ATOM 67 OH TYR A 4 32.731 27.293 58.306 1.00 0.00 O ATOM 0 H TYR A 4 37.741 30.351 59.125 1.00 0.00 H new ATOM 0 HA TYR A 4 39.135 28.566 57.252 1.00 0.00 H new ATOM 0 HB2 TYR A 4 37.308 30.964 56.618 1.00 0.00 H new ATOM 0 HB3 TYR A 4 37.638 29.597 55.572 1.00 0.00 H new ATOM 0 HD1 TYR A 4 36.941 27.223 56.620 1.00 0.00 H new ATOM 0 HD2 TYR A 4 35.406 30.929 58.027 1.00 0.00 H new ATOM 0 HE1 TYR A 4 34.910 26.076 57.358 1.00 0.00 H new ATOM 0 HE2 TYR A 4 33.383 29.798 58.828 1.00 0.00 H new ATOM 0 HH TYR A 4 32.869 26.348 58.524 1.00 0.00 H new ATOM 77 N ASN A 5 40.694 30.186 55.987 1.00 0.00 N ATOM 78 CA ASN A 5 41.718 31.103 55.454 1.00 0.00 C ATOM 79 C ASN A 5 41.592 31.225 53.903 1.00 0.00 C ATOM 80 O ASN A 5 42.542 31.620 53.232 1.00 0.00 O ATOM 81 CB ASN A 5 43.135 30.732 55.931 1.00 0.00 C ATOM 82 CG ASN A 5 43.646 29.409 55.379 1.00 0.00 C ATOM 83 OD1 ASN A 5 43.009 28.653 54.669 1.00 0.00 O ATOM 84 ND2 ASN A 5 44.913 29.128 55.752 1.00 0.00 N ATOM 0 H ASN A 5 40.692 29.255 55.569 1.00 0.00 H new ATOM 0 HA ASN A 5 41.535 32.097 55.862 1.00 0.00 H new ATOM 0 HB2 ASN A 5 43.824 31.525 55.642 1.00 0.00 H new ATOM 0 HB3 ASN A 5 43.141 30.686 57.020 1.00 0.00 H new ATOM 0 HD21 ASN A 5 45.358 28.265 55.438 1.00 0.00 H new ATOM 0 HD22 ASN A 5 45.425 29.778 56.348 1.00 0.00 H new ATOM 91 N HIS A 6 40.345 30.957 53.362 1.00 0.00 N ATOM 92 CA HIS A 6 39.917 31.032 51.976 1.00 0.00 C ATOM 93 C HIS A 6 39.729 32.502 51.493 1.00 0.00 C ATOM 94 O HIS A 6 40.200 33.435 52.137 1.00 0.00 O ATOM 95 CB HIS A 6 40.616 30.095 50.930 1.00 0.00 C ATOM 96 CG HIS A 6 41.909 30.554 50.271 1.00 0.00 C ATOM 97 ND1 HIS A 6 42.402 31.868 50.262 1.00 0.00 N ATOM 98 CD2 HIS A 6 42.857 29.832 49.601 1.00 0.00 C ATOM 99 CE1 HIS A 6 43.586 31.945 49.663 1.00 0.00 C ATOM 100 NE2 HIS A 6 43.874 30.703 49.243 1.00 0.00 N ATOM 0 H HIS A 6 39.577 30.662 53.965 1.00 0.00 H new ATOM 0 HA HIS A 6 38.933 30.565 52.012 1.00 0.00 H new ATOM 0 HB2 HIS A 6 40.819 29.145 51.424 1.00 0.00 H new ATOM 0 HB3 HIS A 6 39.896 29.894 50.136 1.00 0.00 H new ATOM 0 HD2 HIS A 6 42.820 28.774 49.389 1.00 0.00 H new ATOM 0 HE1 HIS A 6 44.194 32.829 49.539 1.00 0.00 H new ATOM 0 HE2 HIS A 6 44.718 30.439 48.735 1.00 0.00 H new ATOM 109 N LEU A 7 38.984 32.696 50.343 1.00 0.00 N ATOM 110 CA LEU A 7 38.621 34.033 49.891 1.00 0.00 C ATOM 111 C LEU A 7 39.834 34.888 49.372 1.00 0.00 C ATOM 112 O LEU A 7 40.977 34.449 49.272 1.00 0.00 O ATOM 113 CB LEU A 7 37.766 34.784 50.948 1.00 0.00 C ATOM 114 CG LEU A 7 36.364 34.204 51.237 1.00 0.00 C ATOM 115 CD1 LEU A 7 35.805 34.813 52.532 1.00 0.00 C ATOM 116 CD2 LEU A 7 35.411 34.521 50.077 1.00 0.00 C ATOM 0 H LEU A 7 38.645 31.941 49.747 1.00 0.00 H new ATOM 0 HA LEU A 7 37.995 33.887 49.011 1.00 0.00 H new ATOM 0 HB2 LEU A 7 38.325 34.809 51.884 1.00 0.00 H new ATOM 0 HB3 LEU A 7 37.647 35.817 50.620 1.00 0.00 H new ATOM 0 HG LEU A 7 36.449 33.123 51.348 1.00 0.00 H new ATOM 0 HD11 LEU A 7 34.816 34.400 52.731 1.00 0.00 H new ATOM 0 HD12 LEU A 7 36.471 34.576 53.362 1.00 0.00 H new ATOM 0 HD13 LEU A 7 35.731 35.895 52.423 1.00 0.00 H new ATOM 0 HD21 LEU A 7 34.426 34.107 50.292 1.00 0.00 H new ATOM 0 HD22 LEU A 7 35.332 35.601 49.956 1.00 0.00 H new ATOM 0 HD23 LEU A 7 35.797 34.080 49.158 1.00 0.00 H new ATOM 128 N GLY A 8 39.469 36.146 48.931 1.00 0.00 N ATOM 129 CA GLY A 8 40.384 37.097 48.309 1.00 0.00 C ATOM 130 C GLY A 8 40.450 36.915 46.764 1.00 0.00 C ATOM 131 O GLY A 8 41.397 37.430 46.174 1.00 0.00 O ATOM 0 H GLY A 8 38.516 36.501 49.012 1.00 0.00 H new ATOM 0 HA2 GLY A 8 40.065 38.113 48.541 1.00 0.00 H new ATOM 0 HA3 GLY A 8 41.381 36.972 48.732 1.00 0.00 H new ATOM 135 N THR A 9 39.422 36.225 46.125 1.00 0.00 N ATOM 136 CA THR A 9 39.246 35.813 44.699 1.00 0.00 C ATOM 137 C THR A 9 39.517 34.282 44.553 1.00 0.00 C ATOM 138 O THR A 9 38.861 33.590 43.778 1.00 0.00 O ATOM 139 CB THR A 9 40.158 36.554 43.693 1.00 0.00 C ATOM 140 OG1 THR A 9 39.916 37.963 43.657 1.00 0.00 O ATOM 141 CG2 THR A 9 40.061 36.078 42.239 1.00 0.00 C ATOM 0 H THR A 9 38.618 35.919 46.674 1.00 0.00 H new ATOM 0 HA THR A 9 38.217 36.077 44.454 1.00 0.00 H new ATOM 0 HB THR A 9 41.148 36.318 44.082 1.00 0.00 H new ATOM 0 HG1 THR A 9 40.279 38.378 44.467 1.00 0.00 H new ATOM 0 HG21 THR A 9 40.740 36.663 41.619 1.00 0.00 H new ATOM 0 HG22 THR A 9 40.334 35.024 42.182 1.00 0.00 H new ATOM 0 HG23 THR A 9 39.040 36.208 41.881 1.00 0.00 H new ATOM 149 N LYS A 10 40.548 33.769 45.319 1.00 0.00 N ATOM 150 CA LYS A 10 41.076 32.411 45.203 1.00 0.00 C ATOM 151 C LYS A 10 40.075 31.315 45.743 1.00 0.00 C ATOM 152 O LYS A 10 39.219 31.605 46.578 1.00 0.00 O ATOM 153 CB LYS A 10 42.373 32.307 46.050 1.00 0.00 C ATOM 154 CG LYS A 10 43.559 33.285 45.788 1.00 0.00 C ATOM 155 CD LYS A 10 43.284 34.770 46.113 1.00 0.00 C ATOM 156 CE LYS A 10 44.490 35.714 46.139 1.00 0.00 C ATOM 157 NZ LYS A 10 43.999 37.082 46.646 1.00 0.00 N ATOM 0 H LYS A 10 41.021 34.319 46.035 1.00 0.00 H new ATOM 0 HA LYS A 10 41.251 32.227 44.143 1.00 0.00 H new ATOM 0 HB2 LYS A 10 42.086 32.419 47.096 1.00 0.00 H new ATOM 0 HB3 LYS A 10 42.757 31.294 45.931 1.00 0.00 H new ATOM 0 HG2 LYS A 10 44.415 32.955 46.377 1.00 0.00 H new ATOM 0 HG3 LYS A 10 43.845 33.208 44.739 1.00 0.00 H new ATOM 0 HD2 LYS A 10 42.573 35.150 45.380 1.00 0.00 H new ATOM 0 HD3 LYS A 10 42.796 34.818 47.086 1.00 0.00 H new ATOM 0 HE2 LYS A 10 45.270 35.321 46.791 1.00 0.00 H new ATOM 0 HE3 LYS A 10 44.924 35.808 45.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 44.786 37.762 46.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 43.231 37.424 46.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 43.648 36.986 47.620 1.00 0.00 H new ATOM 171 N PRO A 11 40.284 29.999 45.321 1.00 0.00 N ATOM 172 CA PRO A 11 39.355 28.932 45.756 1.00 0.00 C ATOM 173 C PRO A 11 39.437 28.560 47.269 1.00 0.00 C ATOM 174 O PRO A 11 40.376 28.960 47.953 1.00 0.00 O ATOM 175 CB PRO A 11 39.736 27.695 44.919 1.00 0.00 C ATOM 176 CG PRO A 11 40.216 28.345 43.618 1.00 0.00 C ATOM 177 CD PRO A 11 41.044 29.510 44.165 1.00 0.00 C ATOM 0 HA PRO A 11 38.334 29.284 45.610 1.00 0.00 H new ATOM 0 HB2 PRO A 11 40.518 27.102 45.395 1.00 0.00 H new ATOM 0 HB3 PRO A 11 38.887 27.031 44.757 1.00 0.00 H new ATOM 0 HG2 PRO A 11 40.813 27.663 43.012 1.00 0.00 H new ATOM 0 HG3 PRO A 11 39.388 28.684 42.996 1.00 0.00 H new ATOM 0 HD2 PRO A 11 42.042 29.183 44.457 1.00 0.00 H new ATOM 0 HD3 PRO A 11 41.171 30.291 43.416 1.00 0.00 H new ATOM 185 N PRO A 12 38.484 27.669 47.756 1.00 0.00 N ATOM 186 CA PRO A 12 38.472 27.343 49.189 1.00 0.00 C ATOM 187 C PRO A 12 39.676 26.540 49.757 1.00 0.00 C ATOM 188 O PRO A 12 40.320 25.728 49.102 1.00 0.00 O ATOM 189 CB PRO A 12 37.201 26.500 49.399 1.00 0.00 C ATOM 190 CG PRO A 12 36.254 27.148 48.385 1.00 0.00 C ATOM 191 CD PRO A 12 37.186 27.301 47.179 1.00 0.00 C ATOM 0 HA PRO A 12 38.520 28.292 49.722 1.00 0.00 H new ATOM 0 HB2 PRO A 12 37.368 25.443 49.192 1.00 0.00 H new ATOM 0 HB3 PRO A 12 36.824 26.569 50.419 1.00 0.00 H new ATOM 0 HG2 PRO A 12 35.392 26.519 48.164 1.00 0.00 H new ATOM 0 HG3 PRO A 12 35.868 28.106 48.733 1.00 0.00 H new ATOM 0 HD2 PRO A 12 37.254 26.373 46.611 1.00 0.00 H new ATOM 0 HD3 PRO A 12 36.825 28.068 46.494 1.00 0.00 H new ATOM 199 N THR A 13 39.873 26.783 51.102 1.00 0.00 N ATOM 200 CA THR A 13 40.888 26.149 51.938 1.00 0.00 C ATOM 201 C THR A 13 40.511 26.599 53.390 1.00 0.00 C ATOM 202 O THR A 13 40.274 27.766 53.721 1.00 0.00 O ATOM 203 CB THR A 13 42.424 26.349 51.809 1.00 0.00 C ATOM 204 OG1 THR A 13 42.890 27.695 51.902 1.00 0.00 O ATOM 205 CG2 THR A 13 43.028 25.709 50.551 1.00 0.00 C ATOM 0 H THR A 13 39.299 27.448 51.620 1.00 0.00 H new ATOM 0 HA THR A 13 40.824 25.112 51.607 1.00 0.00 H new ATOM 0 HB THR A 13 42.779 25.824 52.696 1.00 0.00 H new ATOM 0 HG1 THR A 13 42.911 27.970 52.842 1.00 0.00 H new ATOM 0 HG21 THR A 13 44.103 25.891 50.531 1.00 0.00 H new ATOM 0 HG22 THR A 13 42.842 24.635 50.564 1.00 0.00 H new ATOM 0 HG23 THR A 13 42.569 26.146 49.664 1.00 0.00 H new ATOM 213 N THR A 14 40.501 25.572 54.302 1.00 0.00 N ATOM 214 CA THR A 14 40.041 25.755 55.671 1.00 0.00 C ATOM 215 C THR A 14 41.152 25.289 56.637 1.00 0.00 C ATOM 216 O THR A 14 41.893 24.341 56.373 1.00 0.00 O ATOM 217 CB THR A 14 38.738 24.987 55.902 1.00 0.00 C ATOM 218 OG1 THR A 14 38.858 23.562 55.842 1.00 0.00 O ATOM 219 CG2 THR A 14 37.685 25.381 54.839 1.00 0.00 C ATOM 0 H THR A 14 40.810 24.624 54.089 1.00 0.00 H new ATOM 0 HA THR A 14 39.833 26.809 55.857 1.00 0.00 H new ATOM 0 HB THR A 14 38.445 25.262 56.915 1.00 0.00 H new ATOM 0 HG1 THR A 14 37.982 23.153 56.002 1.00 0.00 H new ATOM 0 HG21 THR A 14 36.764 24.826 55.017 1.00 0.00 H new ATOM 0 HG22 THR A 14 37.483 26.450 54.905 1.00 0.00 H new ATOM 0 HG23 THR A 14 38.065 25.144 53.845 1.00 0.00 H new ATOM 227 N GLU A 15 41.243 25.999 57.815 1.00 0.00 N ATOM 228 CA GLU A 15 42.401 25.811 58.700 1.00 0.00 C ATOM 229 C GLU A 15 41.932 24.931 59.895 1.00 0.00 C ATOM 230 O GLU A 15 41.316 25.366 60.868 1.00 0.00 O ATOM 231 CB GLU A 15 43.112 27.115 59.113 1.00 0.00 C ATOM 232 CG GLU A 15 44.535 26.861 59.651 1.00 0.00 C ATOM 233 CD GLU A 15 45.275 28.170 59.906 1.00 0.00 C ATOM 234 OE1 GLU A 15 44.797 29.184 60.380 1.00 0.00 O ATOM 235 OE2 GLU A 15 46.555 28.078 59.550 1.00 0.00 O ATOM 0 H GLU A 15 40.551 26.672 58.143 1.00 0.00 H new ATOM 0 HA GLU A 15 43.192 25.297 58.154 1.00 0.00 H new ATOM 0 HB2 GLU A 15 43.165 27.785 58.255 1.00 0.00 H new ATOM 0 HB3 GLU A 15 42.522 27.621 59.877 1.00 0.00 H new ATOM 0 HG2 GLU A 15 44.479 26.287 60.576 1.00 0.00 H new ATOM 0 HG3 GLU A 15 45.094 26.259 58.935 1.00 0.00 H new ATOM 243 N THR A 16 42.263 23.591 59.749 1.00 0.00 N ATOM 244 CA THR A 16 42.076 22.588 60.806 1.00 0.00 C ATOM 245 C THR A 16 43.202 22.939 61.834 1.00 0.00 C ATOM 246 O THR A 16 44.397 22.879 61.545 1.00 0.00 O ATOM 247 CB THR A 16 42.229 21.122 60.320 1.00 0.00 C ATOM 248 OG1 THR A 16 41.176 20.842 59.392 1.00 0.00 O ATOM 249 CG2 THR A 16 42.213 20.088 61.457 1.00 0.00 C ATOM 0 H THR A 16 42.662 23.208 58.892 1.00 0.00 H new ATOM 0 HA THR A 16 41.064 22.628 61.208 1.00 0.00 H new ATOM 0 HB THR A 16 43.209 21.034 59.851 1.00 0.00 H new ATOM 0 HG1 THR A 16 41.258 19.919 59.073 1.00 0.00 H new ATOM 0 HG21 THR A 16 42.325 19.087 61.040 1.00 0.00 H new ATOM 0 HG22 THR A 16 43.036 20.289 62.143 1.00 0.00 H new ATOM 0 HG23 THR A 16 41.267 20.154 61.995 1.00 0.00 H new ATOM 257 N CYS A 17 42.779 23.299 63.105 1.00 0.00 N ATOM 258 CA CYS A 17 43.712 23.921 64.041 1.00 0.00 C ATOM 259 C CYS A 17 43.429 23.528 65.522 1.00 0.00 C ATOM 260 O CYS A 17 42.323 23.126 65.884 1.00 0.00 O ATOM 261 CB CYS A 17 43.562 25.436 63.895 1.00 0.00 C ATOM 262 SG CYS A 17 44.937 26.495 64.411 1.00 0.00 S ATOM 0 H CYS A 17 41.833 23.163 63.462 1.00 0.00 H new ATOM 0 HA CYS A 17 44.720 23.578 63.806 1.00 0.00 H new ATOM 0 HB2 CYS A 17 43.355 25.649 62.846 1.00 0.00 H new ATOM 0 HB3 CYS A 17 42.681 25.738 64.461 1.00 0.00 H new ATOM 267 N GLN A 18 44.490 23.713 66.386 1.00 0.00 N ATOM 268 CA GLN A 18 44.363 23.579 67.830 1.00 0.00 C ATOM 269 C GLN A 18 45.244 24.723 68.418 1.00 0.00 C ATOM 270 O GLN A 18 46.287 24.523 69.031 1.00 0.00 O ATOM 271 CB GLN A 18 44.617 22.175 68.437 1.00 0.00 C ATOM 272 CG GLN A 18 43.318 21.351 68.578 1.00 0.00 C ATOM 273 CD GLN A 18 42.174 22.157 69.211 1.00 0.00 C ATOM 274 OE1 GLN A 18 41.107 22.357 68.654 1.00 0.00 O ATOM 275 NE2 GLN A 18 42.455 22.672 70.433 1.00 0.00 N ATOM 0 H GLN A 18 45.431 23.955 66.075 1.00 0.00 H new ATOM 0 HA GLN A 18 43.316 23.681 68.116 1.00 0.00 H new ATOM 0 HB2 GLN A 18 45.322 21.632 67.807 1.00 0.00 H new ATOM 0 HB3 GLN A 18 45.083 22.284 69.416 1.00 0.00 H new ATOM 0 HG2 GLN A 18 43.008 20.997 67.595 1.00 0.00 H new ATOM 0 HG3 GLN A 18 43.516 20.469 69.186 1.00 0.00 H new ATOM 0 HE21 GLN A 18 43.357 22.485 70.870 1.00 0.00 H new ATOM 0 HE22 GLN A 18 41.764 23.247 70.915 1.00 0.00 H new ATOM 284 N GLU A 19 44.723 25.978 68.182 1.00 0.00 N ATOM 285 CA GLU A 19 45.284 27.246 68.657 1.00 0.00 C ATOM 286 C GLU A 19 44.123 27.828 69.541 1.00 0.00 C ATOM 287 O GLU A 19 43.018 28.068 69.052 1.00 0.00 O ATOM 288 CB GLU A 19 45.634 28.158 67.473 1.00 0.00 C ATOM 289 CG GLU A 19 46.303 29.520 67.772 1.00 0.00 C ATOM 290 CD GLU A 19 47.821 29.404 67.823 1.00 0.00 C ATOM 291 OE1 GLU A 19 48.563 29.471 66.867 1.00 0.00 O ATOM 292 OE2 GLU A 19 48.259 29.233 69.069 1.00 0.00 O ATOM 0 H GLU A 19 43.872 26.111 67.635 1.00 0.00 H new ATOM 0 HA GLU A 19 46.216 27.142 69.213 1.00 0.00 H new ATOM 0 HB2 GLU A 19 46.295 27.602 66.808 1.00 0.00 H new ATOM 0 HB3 GLU A 19 44.715 28.353 66.920 1.00 0.00 H new ATOM 0 HG2 GLU A 19 46.019 30.241 67.005 1.00 0.00 H new ATOM 0 HG3 GLU A 19 45.935 29.905 68.723 1.00 0.00 H new ATOM 300 N ASP A 20 44.420 28.055 70.878 1.00 0.00 N ATOM 301 CA ASP A 20 43.503 28.429 71.984 1.00 0.00 C ATOM 302 C ASP A 20 42.312 29.298 71.455 1.00 0.00 C ATOM 303 O ASP A 20 41.159 29.065 71.817 1.00 0.00 O ATOM 304 CB ASP A 20 43.094 27.288 72.928 1.00 0.00 C ATOM 305 CG ASP A 20 42.207 26.156 72.355 1.00 0.00 C ATOM 306 OD1 ASP A 20 42.501 25.728 71.235 1.00 0.00 O ATOM 307 OD2 ASP A 20 41.268 25.808 73.077 1.00 0.00 O ATOM 0 H ASP A 20 45.380 27.970 71.212 1.00 0.00 H new ATOM 0 HA ASP A 20 44.088 29.059 72.654 1.00 0.00 H new ATOM 0 HB2 ASP A 20 44.005 26.834 73.318 1.00 0.00 H new ATOM 0 HB3 ASP A 20 42.569 27.728 73.776 1.00 0.00 H new ATOM 312 N SER A 21 42.631 30.408 70.687 1.00 0.00 N ATOM 313 CA SER A 21 41.575 31.182 70.033 1.00 0.00 C ATOM 314 C SER A 21 41.984 31.460 68.550 1.00 0.00 C ATOM 315 O SER A 21 43.144 31.696 68.199 1.00 0.00 O ATOM 316 CB SER A 21 41.266 32.537 70.728 1.00 0.00 C ATOM 317 OG SER A 21 40.707 32.424 72.033 1.00 0.00 O ATOM 0 H SER A 21 43.579 30.751 70.529 1.00 0.00 H new ATOM 0 HA SER A 21 40.669 30.580 70.096 1.00 0.00 H new ATOM 0 HB2 SER A 21 42.188 33.115 70.791 1.00 0.00 H new ATOM 0 HB3 SER A 21 40.577 33.103 70.100 1.00 0.00 H new ATOM 0 HG SER A 21 40.545 33.319 72.398 1.00 0.00 H new ATOM 323 N CYS A 22 40.933 31.443 67.650 1.00 0.00 N ATOM 324 CA CYS A 22 41.142 31.822 66.259 1.00 0.00 C ATOM 325 C CYS A 22 40.224 33.014 65.879 1.00 0.00 C ATOM 326 O CYS A 22 39.133 33.216 66.412 1.00 0.00 O ATOM 327 CB CYS A 22 41.142 30.638 65.255 1.00 0.00 C ATOM 328 SG CYS A 22 39.701 29.539 64.990 1.00 0.00 S ATOM 0 H CYS A 22 39.977 31.176 67.884 1.00 0.00 H new ATOM 0 HA CYS A 22 42.169 32.178 66.171 1.00 0.00 H new ATOM 0 HB2 CYS A 22 41.389 31.061 64.281 1.00 0.00 H new ATOM 0 HB3 CYS A 22 41.972 29.992 65.542 1.00 0.00 H new ATOM 333 N TYR A 23 40.769 33.857 64.929 1.00 0.00 N ATOM 334 CA TYR A 23 40.225 35.196 64.707 1.00 0.00 C ATOM 335 C TYR A 23 39.730 35.495 63.276 1.00 0.00 C ATOM 336 O TYR A 23 40.088 34.859 62.285 1.00 0.00 O ATOM 337 CB TYR A 23 41.307 36.270 65.091 1.00 0.00 C ATOM 338 CG TYR A 23 42.573 36.187 64.258 1.00 0.00 C ATOM 339 CD1 TYR A 23 42.609 36.560 62.915 1.00 0.00 C ATOM 340 CD2 TYR A 23 43.764 35.743 64.825 1.00 0.00 C ATOM 341 CE1 TYR A 23 43.764 36.472 62.152 1.00 0.00 C ATOM 342 CE2 TYR A 23 44.939 35.690 64.094 1.00 0.00 C ATOM 343 CZ TYR A 23 44.954 36.031 62.735 1.00 0.00 C ATOM 344 OH TYR A 23 46.123 35.909 62.038 1.00 0.00 O ATOM 0 H TYR A 23 41.562 33.616 64.335 1.00 0.00 H new ATOM 0 HA TYR A 23 39.340 35.242 65.342 1.00 0.00 H new ATOM 0 HB2 TYR A 23 40.874 37.264 64.980 1.00 0.00 H new ATOM 0 HB3 TYR A 23 41.567 36.151 66.143 1.00 0.00 H new ATOM 0 HD1 TYR A 23 41.706 36.930 62.453 1.00 0.00 H new ATOM 0 HD2 TYR A 23 43.772 35.433 65.859 1.00 0.00 H new ATOM 0 HE1 TYR A 23 43.743 36.744 61.107 1.00 0.00 H new ATOM 0 HE2 TYR A 23 45.855 35.382 64.577 1.00 0.00 H new ATOM 0 HH TYR A 23 46.829 35.587 62.637 1.00 0.00 H new ATOM 354 N LYS A 24 38.896 36.596 63.258 1.00 0.00 N ATOM 355 CA LYS A 24 38.280 37.178 62.071 1.00 0.00 C ATOM 356 C LYS A 24 38.998 38.549 61.822 1.00 0.00 C ATOM 357 O LYS A 24 38.974 39.501 62.596 1.00 0.00 O ATOM 358 CB LYS A 24 36.748 37.308 62.161 1.00 0.00 C ATOM 359 CG LYS A 24 35.989 35.959 62.168 1.00 0.00 C ATOM 360 CD LYS A 24 35.893 35.253 63.534 1.00 0.00 C ATOM 361 CE LYS A 24 35.491 33.782 63.407 1.00 0.00 C ATOM 362 NZ LYS A 24 34.202 33.647 62.597 1.00 0.00 N ATOM 0 H LYS A 24 38.646 37.095 64.111 1.00 0.00 H new ATOM 0 HA LYS A 24 38.416 36.510 61.220 1.00 0.00 H new ATOM 0 HB2 LYS A 24 36.495 37.857 63.068 1.00 0.00 H new ATOM 0 HB3 LYS A 24 36.396 37.904 61.319 1.00 0.00 H new ATOM 0 HG2 LYS A 24 34.979 36.130 61.796 1.00 0.00 H new ATOM 0 HG3 LYS A 24 36.478 35.285 61.465 1.00 0.00 H new ATOM 0 HD2 LYS A 24 36.855 35.321 64.043 1.00 0.00 H new ATOM 0 HD3 LYS A 24 35.165 35.773 64.157 1.00 0.00 H new ATOM 0 HE2 LYS A 24 36.291 33.221 62.924 1.00 0.00 H new ATOM 0 HE3 LYS A 24 35.352 33.350 64.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 33.971 32.640 62.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 33.425 34.123 63.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 34.331 34.086 61.663 1.00 0.00 H new ATOM 376 N ASN A 25 39.672 38.586 60.621 1.00 0.00 N ATOM 377 CA ASN A 25 40.499 39.662 60.057 1.00 0.00 C ATOM 378 C ASN A 25 39.752 40.075 58.729 1.00 0.00 C ATOM 379 O ASN A 25 39.415 39.228 57.904 1.00 0.00 O ATOM 380 CB ASN A 25 41.904 39.118 59.870 1.00 0.00 C ATOM 381 CG ASN A 25 42.823 40.130 59.251 1.00 0.00 C ATOM 382 OD1 ASN A 25 43.641 40.779 59.874 1.00 0.00 O ATOM 383 ND2 ASN A 25 42.651 40.267 57.926 1.00 0.00 N ATOM 0 H ASN A 25 39.633 37.788 59.987 1.00 0.00 H new ATOM 0 HA ASN A 25 40.617 40.549 60.679 1.00 0.00 H new ATOM 0 HB2 ASN A 25 42.304 38.808 60.836 1.00 0.00 H new ATOM 0 HB3 ASN A 25 41.867 38.229 59.240 1.00 0.00 H new ATOM 0 HD21 ASN A 25 43.218 40.935 57.405 1.00 0.00 H new ATOM 0 HD22 ASN A 25 41.953 39.703 57.441 1.00 0.00 H new ATOM 390 N ILE A 26 39.505 41.446 58.536 1.00 0.00 N ATOM 391 CA ILE A 26 38.278 41.850 57.793 1.00 0.00 C ATOM 392 C ILE A 26 38.478 43.084 56.833 1.00 0.00 C ATOM 393 O ILE A 26 37.559 43.832 56.510 1.00 0.00 O ATOM 394 CB ILE A 26 37.152 42.067 58.851 1.00 0.00 C ATOM 395 CG1 ILE A 26 37.000 43.474 59.498 1.00 0.00 C ATOM 396 CG2 ILE A 26 37.233 41.046 60.016 1.00 0.00 C ATOM 397 CD1 ILE A 26 38.274 44.151 60.020 1.00 0.00 C ATOM 0 H ILE A 26 40.099 42.208 58.863 1.00 0.00 H new ATOM 0 HA ILE A 26 37.999 41.056 57.100 1.00 0.00 H new ATOM 0 HB ILE A 26 36.276 41.928 58.218 1.00 0.00 H new ATOM 0 HG12 ILE A 26 36.544 44.136 58.762 1.00 0.00 H new ATOM 0 HG13 ILE A 26 36.299 43.389 60.328 1.00 0.00 H new ATOM 0 HG21 ILE A 26 36.428 41.239 60.725 1.00 0.00 H new ATOM 0 HG22 ILE A 26 37.134 40.035 59.621 1.00 0.00 H new ATOM 0 HG23 ILE A 26 38.194 41.146 60.521 1.00 0.00 H new ATOM 0 HD11 ILE A 26 38.022 45.123 60.444 1.00 0.00 H new ATOM 0 HD12 ILE A 26 38.729 43.527 60.789 1.00 0.00 H new ATOM 0 HD13 ILE A 26 38.978 44.285 59.198 1.00 0.00 H new ATOM 409 N TRP A 27 39.747 43.193 56.312 1.00 0.00 N ATOM 410 CA TRP A 27 40.333 44.352 55.625 1.00 0.00 C ATOM 411 C TRP A 27 41.409 43.764 54.612 1.00 0.00 C ATOM 412 O TRP A 27 41.041 43.209 53.585 1.00 0.00 O ATOM 413 CB TRP A 27 40.930 45.406 56.625 1.00 0.00 C ATOM 414 CG TRP A 27 41.495 44.789 57.877 1.00 0.00 C ATOM 415 CD1 TRP A 27 41.956 43.456 57.989 1.00 0.00 C ATOM 416 CD2 TRP A 27 41.552 45.264 59.184 1.00 0.00 C ATOM 417 NE1 TRP A 27 42.182 43.072 59.273 1.00 0.00 N ATOM 418 CE2 TRP A 27 41.972 44.219 60.012 1.00 0.00 C ATOM 419 CE3 TRP A 27 41.213 46.495 59.794 1.00 0.00 C ATOM 420 CZ2 TRP A 27 42.115 44.294 61.356 1.00 0.00 C ATOM 421 CZ3 TRP A 27 41.362 46.619 61.168 1.00 0.00 C ATOM 422 CH2 TRP A 27 41.819 45.531 61.944 1.00 0.00 C ATOM 0 H TRP A 27 40.408 42.419 56.375 1.00 0.00 H new ATOM 0 HA TRP A 27 39.572 44.916 55.085 1.00 0.00 H new ATOM 0 HB2 TRP A 27 41.715 45.970 56.121 1.00 0.00 H new ATOM 0 HB3 TRP A 27 40.151 46.118 56.899 1.00 0.00 H new ATOM 0 HD1 TRP A 27 42.113 42.808 57.139 1.00 0.00 H new ATOM 0 HE1 TRP A 27 42.446 42.147 59.613 1.00 0.00 H new ATOM 0 HE3 TRP A 27 40.846 47.321 59.203 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 42.439 43.447 61.943 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 41.126 47.557 61.649 1.00 0.00 H new ATOM 0 HH2 TRP A 27 41.943 45.655 63.010 1.00 0.00 H new ATOM 433 N THR A 28 42.767 43.906 54.904 1.00 0.00 N ATOM 434 CA THR A 28 43.889 43.284 54.183 1.00 0.00 C ATOM 435 C THR A 28 44.085 43.764 52.696 1.00 0.00 C ATOM 436 O THR A 28 43.261 44.490 52.150 1.00 0.00 O ATOM 437 CB THR A 28 43.982 41.713 54.319 1.00 0.00 C ATOM 438 OG1 THR A 28 44.272 41.296 55.657 1.00 0.00 O ATOM 439 CG2 THR A 28 42.780 40.886 53.837 1.00 0.00 C ATOM 0 H THR A 28 43.085 44.484 55.682 1.00 0.00 H new ATOM 0 HA THR A 28 44.746 43.679 54.728 1.00 0.00 H new ATOM 0 HB THR A 28 44.801 41.501 53.632 1.00 0.00 H new ATOM 0 HG1 THR A 28 44.327 42.082 56.240 1.00 0.00 H new ATOM 0 HG21 THR A 28 42.983 39.826 53.991 1.00 0.00 H new ATOM 0 HG22 THR A 28 41.892 41.171 54.401 1.00 0.00 H new ATOM 0 HG23 THR A 28 42.611 41.073 52.777 1.00 0.00 H new ATOM 447 N PHE A 29 45.258 43.361 52.048 1.00 0.00 N ATOM 448 CA PHE A 29 45.529 43.855 50.689 1.00 0.00 C ATOM 449 C PHE A 29 44.555 43.199 49.665 1.00 0.00 C ATOM 450 O PHE A 29 44.127 43.889 48.739 1.00 0.00 O ATOM 451 CB PHE A 29 46.988 43.772 50.210 1.00 0.00 C ATOM 452 CG PHE A 29 47.125 44.580 48.933 1.00 0.00 C ATOM 453 CD1 PHE A 29 46.950 45.970 48.955 1.00 0.00 C ATOM 454 CD2 PHE A 29 47.335 43.967 47.695 1.00 0.00 C ATOM 455 CE1 PHE A 29 46.905 46.717 47.779 1.00 0.00 C ATOM 456 CE2 PHE A 29 47.308 44.703 46.509 1.00 0.00 C ATOM 457 CZ PHE A 29 47.066 46.081 46.543 1.00 0.00 C ATOM 0 H PHE A 29 45.964 42.738 52.441 1.00 0.00 H new ATOM 0 HA PHE A 29 45.345 44.928 50.748 1.00 0.00 H new ATOM 0 HB2 PHE A 29 47.660 44.158 50.976 1.00 0.00 H new ATOM 0 HB3 PHE A 29 47.270 42.734 50.033 1.00 0.00 H new ATOM 0 HD1 PHE A 29 46.848 46.474 49.905 1.00 0.00 H new ATOM 0 HD2 PHE A 29 47.522 42.904 47.655 1.00 0.00 H new ATOM 0 HE1 PHE A 29 46.746 47.784 47.822 1.00 0.00 H new ATOM 0 HE2 PHE A 29 47.474 44.208 45.564 1.00 0.00 H new ATOM 0 HZ PHE A 29 47.004 46.647 45.625 1.00 0.00 H new ATOM 467 N ASP A 30 44.163 41.875 49.829 1.00 0.00 N ATOM 468 CA ASP A 30 43.170 41.283 48.930 1.00 0.00 C ATOM 469 C ASP A 30 41.809 42.077 49.036 1.00 0.00 C ATOM 470 O ASP A 30 41.028 42.007 48.088 1.00 0.00 O ATOM 471 CB ASP A 30 42.876 39.780 49.176 1.00 0.00 C ATOM 472 CG ASP A 30 43.912 38.739 48.691 1.00 0.00 C ATOM 473 OD1 ASP A 30 44.720 39.083 47.829 1.00 0.00 O ATOM 474 OD2 ASP A 30 43.762 37.607 49.173 1.00 0.00 O ATOM 0 H ASP A 30 44.520 41.249 50.551 1.00 0.00 H new ATOM 0 HA ASP A 30 43.612 41.356 47.936 1.00 0.00 H new ATOM 0 HB2 ASP A 30 42.741 39.639 50.248 1.00 0.00 H new ATOM 0 HB3 ASP A 30 41.923 39.546 48.701 1.00 0.00 H new ATOM 479 N ASN A 31 41.502 42.819 50.175 1.00 0.00 N ATOM 480 CA ASN A 31 40.292 43.628 50.385 1.00 0.00 C ATOM 481 C ASN A 31 39.152 42.587 50.589 1.00 0.00 C ATOM 482 O ASN A 31 38.325 42.347 49.712 1.00 0.00 O ATOM 483 CB ASN A 31 40.024 44.736 49.367 1.00 0.00 C ATOM 484 CG ASN A 31 40.610 46.060 49.839 1.00 0.00 C ATOM 485 OD1 ASN A 31 39.931 46.962 50.296 1.00 0.00 O ATOM 486 ND2 ASN A 31 41.952 46.167 49.726 1.00 0.00 N ATOM 0 H ASN A 31 42.130 42.850 50.978 1.00 0.00 H new ATOM 0 HA ASN A 31 40.401 44.266 51.262 1.00 0.00 H new ATOM 0 HB2 ASN A 31 40.458 44.464 48.405 1.00 0.00 H new ATOM 0 HB3 ASN A 31 38.950 44.843 49.214 1.00 0.00 H new ATOM 0 HD21 ASN A 31 42.423 47.020 50.027 1.00 0.00 H new ATOM 0 HD22 ASN A 31 42.494 45.395 49.339 1.00 0.00 H new ATOM 493 N ILE A 32 39.111 42.000 51.852 1.00 0.00 N ATOM 494 CA ILE A 32 38.304 40.815 52.064 1.00 0.00 C ATOM 495 C ILE A 32 38.322 40.335 53.548 1.00 0.00 C ATOM 496 O ILE A 32 39.122 40.779 54.368 1.00 0.00 O ATOM 497 CB ILE A 32 38.855 39.637 51.212 1.00 0.00 C ATOM 498 CG1 ILE A 32 37.890 38.460 50.993 1.00 0.00 C ATOM 499 CG2 ILE A 32 40.220 39.143 51.738 1.00 0.00 C ATOM 500 CD1 ILE A 32 36.523 38.847 50.406 1.00 0.00 C ATOM 0 H ILE A 32 39.615 42.339 52.672 1.00 0.00 H new ATOM 0 HA ILE A 32 37.287 41.088 51.781 1.00 0.00 H new ATOM 0 HB ILE A 32 38.985 40.072 50.221 1.00 0.00 H new ATOM 0 HG12 ILE A 32 38.364 37.739 50.327 1.00 0.00 H new ATOM 0 HG13 ILE A 32 37.731 37.957 51.947 1.00 0.00 H new ATOM 0 HG21 ILE A 32 40.573 38.319 51.117 1.00 0.00 H new ATOM 0 HG22 ILE A 32 40.941 39.960 51.702 1.00 0.00 H new ATOM 0 HG23 ILE A 32 40.111 38.801 52.767 1.00 0.00 H new ATOM 0 HD11 ILE A 32 35.912 37.952 50.287 1.00 0.00 H new ATOM 0 HD12 ILE A 32 36.022 39.542 51.079 1.00 0.00 H new ATOM 0 HD13 ILE A 32 36.665 39.321 49.435 1.00 0.00 H new ATOM 512 N ILE A 33 37.405 39.344 53.856 1.00 0.00 N ATOM 513 CA ILE A 33 37.415 38.668 55.159 1.00 0.00 C ATOM 514 C ILE A 33 38.273 37.372 54.915 1.00 0.00 C ATOM 515 O ILE A 33 37.842 36.372 54.347 1.00 0.00 O ATOM 516 CB ILE A 33 36.027 38.401 55.765 1.00 0.00 C ATOM 517 CG1 ILE A 33 35.315 39.647 56.362 1.00 0.00 C ATOM 518 CG2 ILE A 33 36.045 37.308 56.855 1.00 0.00 C ATOM 519 CD1 ILE A 33 35.204 40.913 55.498 1.00 0.00 C ATOM 0 H ILE A 33 36.677 39.021 53.218 1.00 0.00 H new ATOM 0 HA ILE A 33 37.848 39.306 55.930 1.00 0.00 H new ATOM 0 HB ILE A 33 35.458 38.068 54.897 1.00 0.00 H new ATOM 0 HG12 ILE A 33 34.305 39.348 56.644 1.00 0.00 H new ATOM 0 HG13 ILE A 33 35.835 39.917 57.281 1.00 0.00 H new ATOM 0 HG21 ILE A 33 35.037 37.165 57.244 1.00 0.00 H new ATOM 0 HG22 ILE A 33 36.404 36.372 56.426 1.00 0.00 H new ATOM 0 HG23 ILE A 33 36.707 37.613 57.666 1.00 0.00 H new ATOM 0 HD11 ILE A 33 34.682 41.690 56.057 1.00 0.00 H new ATOM 0 HD12 ILE A 33 36.202 41.263 55.235 1.00 0.00 H new ATOM 0 HD13 ILE A 33 34.648 40.685 54.588 1.00 0.00 H new ATOM 531 N ARG A 34 39.583 37.427 55.362 1.00 0.00 N ATOM 532 CA ARG A 34 40.544 36.337 55.187 1.00 0.00 C ATOM 533 C ARG A 34 41.505 36.462 56.405 1.00 0.00 C ATOM 534 O ARG A 34 41.994 37.525 56.777 1.00 0.00 O ATOM 535 CB ARG A 34 41.307 36.338 53.865 1.00 0.00 C ATOM 536 CG ARG A 34 42.346 35.214 53.700 1.00 0.00 C ATOM 537 CD ARG A 34 42.947 35.223 52.285 1.00 0.00 C ATOM 538 NE ARG A 34 43.646 36.433 51.791 1.00 0.00 N ATOM 539 CZ ARG A 34 44.355 37.341 52.444 1.00 0.00 C ATOM 540 NH1 ARG A 34 44.584 37.267 53.725 1.00 0.00 N ATOM 541 NH2 ARG A 34 44.839 38.339 51.759 1.00 0.00 N ATOM 0 H ARG A 34 39.970 38.236 55.847 1.00 0.00 H new ATOM 0 HA ARG A 34 40.013 35.386 55.146 1.00 0.00 H new ATOM 0 HB2 ARG A 34 40.587 36.266 53.050 1.00 0.00 H new ATOM 0 HB3 ARG A 34 41.814 37.297 53.759 1.00 0.00 H new ATOM 0 HG2 ARG A 34 43.140 35.337 54.437 1.00 0.00 H new ATOM 0 HG3 ARG A 34 41.877 34.249 53.894 1.00 0.00 H new ATOM 0 HD2 ARG A 34 43.651 34.393 52.225 1.00 0.00 H new ATOM 0 HD3 ARG A 34 42.139 35.006 51.587 1.00 0.00 H new ATOM 0 HE ARG A 34 43.568 36.592 50.786 1.00 0.00 H new ATOM 0 HH11 ARG A 34 44.211 36.486 54.265 1.00 0.00 H new ATOM 0 HH12 ARG A 34 45.136 37.990 54.187 1.00 0.00 H new ATOM 0 HH21 ARG A 34 44.666 38.400 50.756 1.00 0.00 H new ATOM 0 HH22 ARG A 34 45.390 39.059 52.226 1.00 0.00 H new ATOM 555 N ARG A 35 41.782 35.243 57.028 1.00 0.00 N ATOM 556 CA ARG A 35 41.984 35.278 58.467 1.00 0.00 C ATOM 557 C ARG A 35 42.468 33.905 59.028 1.00 0.00 C ATOM 558 O ARG A 35 42.777 33.003 58.251 1.00 0.00 O ATOM 559 CB ARG A 35 40.613 35.678 59.080 1.00 0.00 C ATOM 560 CG ARG A 35 39.468 34.717 58.656 1.00 0.00 C ATOM 561 CD ARG A 35 38.116 34.886 59.344 1.00 0.00 C ATOM 562 NE ARG A 35 36.948 34.060 58.937 1.00 0.00 N ATOM 563 CZ ARG A 35 36.470 33.867 57.718 1.00 0.00 C ATOM 564 NH1 ARG A 35 37.250 33.716 56.687 1.00 0.00 N ATOM 565 NH2 ARG A 35 35.172 33.824 57.566 1.00 0.00 N ATOM 0 H ARG A 35 41.857 34.332 56.575 1.00 0.00 H new ATOM 0 HA ARG A 35 42.767 35.990 58.727 1.00 0.00 H new ATOM 0 HB2 ARG A 35 40.693 35.685 60.167 1.00 0.00 H new ATOM 0 HB3 ARG A 35 40.363 36.693 58.772 1.00 0.00 H new ATOM 0 HG2 ARG A 35 39.315 34.828 57.582 1.00 0.00 H new ATOM 0 HG3 ARG A 35 39.806 33.695 58.826 1.00 0.00 H new ATOM 0 HD2 ARG A 35 38.274 34.715 60.409 1.00 0.00 H new ATOM 0 HD3 ARG A 35 37.826 35.930 59.229 1.00 0.00 H new ATOM 0 HE ARG A 35 36.454 33.583 59.691 1.00 0.00 H new ATOM 0 HH11 ARG A 35 38.263 33.745 56.805 1.00 0.00 H new ATOM 0 HH12 ARG A 35 36.849 33.569 55.761 1.00 0.00 H new ATOM 0 HH21 ARG A 35 34.560 33.938 58.374 1.00 0.00 H new ATOM 0 HH22 ARG A 35 34.772 33.677 56.639 1.00 0.00 H new ATOM 579 N GLY A 36 42.592 33.782 60.411 1.00 0.00 N ATOM 580 CA GLY A 36 43.120 32.488 60.858 1.00 0.00 C ATOM 581 C GLY A 36 43.440 32.304 62.355 1.00 0.00 C ATOM 582 O GLY A 36 43.039 33.082 63.212 1.00 0.00 O ATOM 0 H GLY A 36 42.361 34.475 61.123 1.00 0.00 H new ATOM 0 HA2 GLY A 36 42.400 31.720 60.576 1.00 0.00 H new ATOM 0 HA3 GLY A 36 44.033 32.290 60.297 1.00 0.00 H new ATOM 586 N CYS A 37 44.169 31.161 62.640 1.00 0.00 N ATOM 587 CA CYS A 37 44.549 30.780 64.005 1.00 0.00 C ATOM 588 C CYS A 37 45.657 31.742 64.571 1.00 0.00 C ATOM 589 O CYS A 37 46.728 31.909 63.990 1.00 0.00 O ATOM 590 CB CYS A 37 45.070 29.330 64.036 1.00 0.00 C ATOM 591 SG CYS A 37 43.724 28.122 63.892 1.00 0.00 S ATOM 0 H CYS A 37 44.491 30.508 61.925 1.00 0.00 H new ATOM 0 HA CYS A 37 43.659 30.859 64.630 1.00 0.00 H new ATOM 0 HB2 CYS A 37 45.779 29.182 63.221 1.00 0.00 H new ATOM 0 HB3 CYS A 37 45.613 29.159 64.966 1.00 0.00 H new ATOM 596 N GLY A 38 45.370 32.424 65.763 1.00 0.00 N ATOM 597 CA GLY A 38 46.477 33.154 66.388 1.00 0.00 C ATOM 598 C GLY A 38 45.986 33.541 67.803 1.00 0.00 C ATOM 599 O GLY A 38 45.978 32.725 68.718 1.00 0.00 O ATOM 0 H GLY A 38 44.468 32.463 66.238 1.00 0.00 H new ATOM 0 HA2 GLY A 38 47.372 32.535 66.441 1.00 0.00 H new ATOM 0 HA3 GLY A 38 46.737 34.040 65.809 1.00 0.00 H new ATOM 603 N CYS A 39 45.534 34.839 67.964 1.00 0.00 N ATOM 604 CA CYS A 39 44.890 35.298 69.199 1.00 0.00 C ATOM 605 C CYS A 39 45.837 36.007 70.216 1.00 0.00 C ATOM 606 O CYS A 39 46.963 36.384 69.905 1.00 0.00 O ATOM 607 CB CYS A 39 43.666 36.147 68.807 1.00 0.00 C ATOM 608 SG CYS A 39 42.558 36.677 70.145 1.00 0.00 S ATOM 0 H CYS A 39 45.616 35.558 67.245 1.00 0.00 H new ATOM 0 HA CYS A 39 44.571 34.421 69.762 1.00 0.00 H new ATOM 0 HB2 CYS A 39 44.025 37.039 68.293 1.00 0.00 H new ATOM 0 HB3 CYS A 39 43.078 35.578 68.087 1.00 0.00 H new ATOM 613 N PHE A 40 45.302 36.159 71.483 1.00 0.00 N ATOM 614 CA PHE A 40 46.092 36.532 72.652 1.00 0.00 C ATOM 615 C PHE A 40 46.694 37.974 72.515 1.00 0.00 C ATOM 616 O PHE A 40 47.810 38.221 72.972 1.00 0.00 O ATOM 617 CB PHE A 40 47.143 35.469 73.093 1.00 0.00 C ATOM 618 CG PHE A 40 46.755 34.046 72.711 1.00 0.00 C ATOM 619 CD1 PHE A 40 45.616 33.410 73.220 1.00 0.00 C ATOM 620 CD2 PHE A 40 47.517 33.359 71.759 1.00 0.00 C ATOM 621 CE1 PHE A 40 45.243 32.135 72.785 1.00 0.00 C ATOM 622 CE2 PHE A 40 47.174 32.076 71.336 1.00 0.00 C ATOM 623 CZ PHE A 40 46.036 31.455 71.855 1.00 0.00 C ATOM 0 H PHE A 40 44.313 36.020 71.688 1.00 0.00 H new ATOM 0 HA PHE A 40 45.384 36.557 73.481 1.00 0.00 H new ATOM 0 HB2 PHE A 40 48.105 35.710 72.641 1.00 0.00 H new ATOM 0 HB3 PHE A 40 47.275 35.525 74.174 1.00 0.00 H new ATOM 0 HD1 PHE A 40 45.015 33.914 73.962 1.00 0.00 H new ATOM 0 HD2 PHE A 40 48.392 33.835 71.342 1.00 0.00 H new ATOM 0 HE1 PHE A 40 44.343 31.675 73.167 1.00 0.00 H new ATOM 0 HE2 PHE A 40 47.787 31.564 70.609 1.00 0.00 H new ATOM 0 HZ PHE A 40 45.770 30.457 71.540 1.00 0.00 H new ATOM 633 N THR A 41 45.881 38.965 71.993 1.00 0.00 N ATOM 634 CA THR A 41 46.301 40.382 71.916 1.00 0.00 C ATOM 635 C THR A 41 45.153 41.165 72.653 1.00 0.00 C ATOM 636 O THR A 41 44.355 41.831 71.996 1.00 0.00 O ATOM 637 CB THR A 41 46.610 40.915 70.496 1.00 0.00 C ATOM 638 OG1 THR A 41 47.016 42.280 70.608 1.00 0.00 O ATOM 639 CG2 THR A 41 47.625 40.072 69.699 1.00 0.00 C ATOM 0 H THR A 41 44.945 38.790 71.628 1.00 0.00 H new ATOM 0 HA THR A 41 47.273 40.520 72.390 1.00 0.00 H new ATOM 0 HB THR A 41 45.696 40.836 69.907 1.00 0.00 H new ATOM 0 HG1 THR A 41 47.218 42.635 69.717 1.00 0.00 H new ATOM 0 HG21 THR A 41 47.779 40.521 68.718 1.00 0.00 H new ATOM 0 HG22 THR A 41 48.573 40.040 70.236 1.00 0.00 H new ATOM 0 HG23 THR A 41 47.242 39.059 69.579 1.00 0.00 H new ATOM 647 N PRO A 42 45.098 41.129 74.053 1.00 0.00 N ATOM 648 CA PRO A 42 43.953 41.742 74.759 1.00 0.00 C ATOM 649 C PRO A 42 44.482 43.107 75.290 1.00 0.00 C ATOM 650 O PRO A 42 44.582 43.335 76.494 1.00 0.00 O ATOM 651 CB PRO A 42 43.596 40.692 75.817 1.00 0.00 C ATOM 652 CG PRO A 42 44.978 40.196 76.269 1.00 0.00 C ATOM 653 CD PRO A 42 45.778 40.187 74.953 1.00 0.00 C ATOM 0 HA PRO A 42 43.051 41.971 74.192 1.00 0.00 H new ATOM 0 HB2 PRO A 42 43.029 41.123 76.642 1.00 0.00 H new ATOM 0 HB3 PRO A 42 42.991 39.886 75.402 1.00 0.00 H new ATOM 0 HG2 PRO A 42 45.424 40.859 77.010 1.00 0.00 H new ATOM 0 HG3 PRO A 42 44.926 39.204 76.719 1.00 0.00 H new ATOM 0 HD2 PRO A 42 46.811 40.489 75.124 1.00 0.00 H new ATOM 0 HD3 PRO A 42 45.805 39.187 74.521 1.00 0.00 H new ATOM 661 N ARG A 43 44.781 44.052 74.324 1.00 0.00 N ATOM 662 CA ARG A 43 45.308 45.361 74.696 1.00 0.00 C ATOM 663 C ARG A 43 45.082 46.328 73.489 1.00 0.00 C ATOM 664 O ARG A 43 45.365 46.009 72.334 1.00 0.00 O ATOM 665 CB ARG A 43 46.801 45.338 75.109 1.00 0.00 C ATOM 666 CG ARG A 43 47.800 44.691 74.119 1.00 0.00 C ATOM 667 CD ARG A 43 49.115 44.234 74.787 1.00 0.00 C ATOM 668 NE ARG A 43 49.848 45.185 75.664 1.00 0.00 N ATOM 669 CZ ARG A 43 50.112 46.455 75.408 1.00 0.00 C ATOM 670 NH1 ARG A 43 50.016 46.953 74.208 1.00 0.00 N ATOM 671 NH2 ARG A 43 50.503 47.249 76.370 1.00 0.00 N ATOM 0 H ARG A 43 44.660 43.909 73.321 1.00 0.00 H new ATOM 0 HA ARG A 43 44.774 45.703 75.583 1.00 0.00 H new ATOM 0 HB2 ARG A 43 47.118 46.366 75.286 1.00 0.00 H new ATOM 0 HB3 ARG A 43 46.880 44.812 76.060 1.00 0.00 H new ATOM 0 HG2 ARG A 43 47.325 43.833 73.644 1.00 0.00 H new ATOM 0 HG3 ARG A 43 48.031 45.405 73.329 1.00 0.00 H new ATOM 0 HD2 ARG A 43 48.892 43.346 75.379 1.00 0.00 H new ATOM 0 HD3 ARG A 43 49.797 43.926 73.994 1.00 0.00 H new ATOM 0 HE ARG A 43 50.182 44.820 76.556 1.00 0.00 H new ATOM 0 HH11 ARG A 43 49.730 46.358 73.430 1.00 0.00 H new ATOM 0 HH12 ARG A 43 50.227 47.938 74.046 1.00 0.00 H new ATOM 0 HH21 ARG A 43 50.605 46.889 77.319 1.00 0.00 H new ATOM 0 HH22 ARG A 43 50.707 48.229 76.172 1.00 0.00 H new ATOM 685 N GLY A 44 44.540 47.578 73.771 1.00 0.00 N ATOM 686 CA GLY A 44 44.246 48.516 72.685 1.00 0.00 C ATOM 687 C GLY A 44 45.504 49.207 72.081 1.00 0.00 C ATOM 688 O GLY A 44 45.402 49.713 70.963 1.00 0.00 O ATOM 0 H GLY A 44 44.318 47.917 74.707 1.00 0.00 H new ATOM 0 HA2 GLY A 44 43.722 47.983 71.892 1.00 0.00 H new ATOM 0 HA3 GLY A 44 43.567 49.283 73.056 1.00 0.00 H new ATOM 692 N ASP A 45 46.690 49.251 72.793 1.00 0.00 N ATOM 693 CA ASP A 45 47.909 49.944 72.339 1.00 0.00 C ATOM 694 C ASP A 45 48.887 48.980 71.579 1.00 0.00 C ATOM 695 O ASP A 45 50.090 49.207 71.475 1.00 0.00 O ATOM 696 CB ASP A 45 48.540 50.724 73.507 1.00 0.00 C ATOM 697 CG ASP A 45 48.963 49.828 74.700 1.00 0.00 C ATOM 698 OD1 ASP A 45 48.034 49.333 75.346 1.00 0.00 O ATOM 699 OD2 ASP A 45 50.175 49.638 74.840 1.00 0.00 O ATOM 0 H ASP A 45 46.802 48.797 73.699 1.00 0.00 H new ATOM 0 HA ASP A 45 47.644 50.689 71.588 1.00 0.00 H new ATOM 0 HB2 ASP A 45 49.414 51.263 73.142 1.00 0.00 H new ATOM 0 HB3 ASP A 45 47.829 51.471 73.860 1.00 0.00 H new ATOM 704 N MET A 46 48.285 47.904 70.958 1.00 0.00 N ATOM 705 CA MET A 46 48.960 46.980 70.041 1.00 0.00 C ATOM 706 C MET A 46 47.763 46.463 69.165 1.00 0.00 C ATOM 707 O MET A 46 47.136 45.456 69.497 1.00 0.00 O ATOM 708 CB MET A 46 49.734 45.824 70.714 1.00 0.00 C ATOM 709 CG MET A 46 50.488 44.878 69.755 1.00 0.00 C ATOM 710 SD MET A 46 51.095 43.389 70.628 1.00 0.00 S ATOM 711 CE MET A 46 50.988 42.181 69.287 1.00 0.00 C ATOM 0 H MET A 46 47.302 47.674 71.100 1.00 0.00 H new ATOM 0 HA MET A 46 49.757 47.474 69.485 1.00 0.00 H new ATOM 0 HB2 MET A 46 50.452 46.251 71.414 1.00 0.00 H new ATOM 0 HB3 MET A 46 49.031 45.233 71.300 1.00 0.00 H new ATOM 0 HG2 MET A 46 49.827 44.580 68.941 1.00 0.00 H new ATOM 0 HG3 MET A 46 51.329 45.407 69.306 1.00 0.00 H new ATOM 0 HE1 MET A 46 51.323 41.208 69.646 1.00 0.00 H new ATOM 0 HE2 MET A 46 49.955 42.106 68.946 1.00 0.00 H new ATOM 0 HE3 MET A 46 51.621 42.500 68.459 1.00 0.00 H new ATOM 721 N PRO A 47 47.459 47.144 67.980 1.00 0.00 N ATOM 722 CA PRO A 47 46.234 46.772 67.250 1.00 0.00 C ATOM 723 C PRO A 47 46.187 45.325 66.676 1.00 0.00 C ATOM 724 O PRO A 47 47.200 44.697 66.374 1.00 0.00 O ATOM 725 CB PRO A 47 46.131 47.792 66.103 1.00 0.00 C ATOM 726 CG PRO A 47 46.673 49.060 66.779 1.00 0.00 C ATOM 727 CD PRO A 47 47.846 48.512 67.606 1.00 0.00 C ATOM 0 HA PRO A 47 45.401 46.788 67.952 1.00 0.00 H new ATOM 0 HB2 PRO A 47 46.727 47.500 65.238 1.00 0.00 H new ATOM 0 HB3 PRO A 47 45.106 47.918 65.755 1.00 0.00 H new ATOM 0 HG2 PRO A 47 47.000 49.802 66.050 1.00 0.00 H new ATOM 0 HG3 PRO A 47 45.922 49.540 67.406 1.00 0.00 H new ATOM 0 HD2 PRO A 47 48.769 48.514 67.026 1.00 0.00 H new ATOM 0 HD3 PRO A 47 48.023 49.125 68.490 1.00 0.00 H new ATOM 735 N GLY A 48 44.904 44.826 66.483 1.00 0.00 N ATOM 736 CA GLY A 48 44.731 43.471 65.969 1.00 0.00 C ATOM 737 C GLY A 48 43.279 43.139 65.518 1.00 0.00 C ATOM 738 O GLY A 48 42.370 43.948 65.681 1.00 0.00 O ATOM 0 H GLY A 48 44.042 45.336 66.674 1.00 0.00 H new ATOM 0 HA2 GLY A 48 45.404 43.327 65.124 1.00 0.00 H new ATOM 0 HA3 GLY A 48 45.031 42.761 66.740 1.00 0.00 H new ATOM 742 N PRO A 49 43.088 41.853 65.018 1.00 0.00 N ATOM 743 CA PRO A 49 41.761 41.299 64.686 1.00 0.00 C ATOM 744 C PRO A 49 40.793 41.091 65.896 1.00 0.00 C ATOM 745 O PRO A 49 41.113 41.447 67.028 1.00 0.00 O ATOM 746 CB PRO A 49 42.093 39.890 64.155 1.00 0.00 C ATOM 747 CG PRO A 49 43.417 40.110 63.433 1.00 0.00 C ATOM 748 CD PRO A 49 44.145 41.052 64.390 1.00 0.00 C ATOM 0 HA PRO A 49 41.252 41.989 64.013 1.00 0.00 H new ATOM 0 HB2 PRO A 49 42.188 39.164 64.963 1.00 0.00 H new ATOM 0 HB3 PRO A 49 41.321 39.518 63.481 1.00 0.00 H new ATOM 0 HG2 PRO A 49 43.961 39.177 63.285 1.00 0.00 H new ATOM 0 HG3 PRO A 49 43.276 40.557 62.449 1.00 0.00 H new ATOM 0 HD2 PRO A 49 44.713 40.495 65.135 1.00 0.00 H new ATOM 0 HD3 PRO A 49 44.854 41.685 63.856 1.00 0.00 H new ATOM 756 N TYR A 50 39.587 40.466 65.607 1.00 0.00 N ATOM 757 CA TYR A 50 38.607 40.155 66.677 1.00 0.00 C ATOM 758 C TYR A 50 38.469 38.589 66.794 1.00 0.00 C ATOM 759 O TYR A 50 38.388 37.870 65.800 1.00 0.00 O ATOM 760 CB TYR A 50 37.202 40.863 66.614 1.00 0.00 C ATOM 761 CG TYR A 50 36.179 40.199 65.718 1.00 0.00 C ATOM 762 CD1 TYR A 50 35.495 39.059 66.144 1.00 0.00 C ATOM 763 CD2 TYR A 50 35.830 40.729 64.479 1.00 0.00 C ATOM 764 CE1 TYR A 50 34.522 38.457 65.365 1.00 0.00 C ATOM 765 CE2 TYR A 50 34.837 40.159 63.691 1.00 0.00 C ATOM 766 CZ TYR A 50 34.161 39.013 64.126 1.00 0.00 C ATOM 767 OH TYR A 50 33.173 38.414 63.399 1.00 0.00 O ATOM 0 H TYR A 50 39.297 40.185 64.670 1.00 0.00 H new ATOM 0 HA TYR A 50 39.028 40.595 67.581 1.00 0.00 H new ATOM 0 HB2 TYR A 50 36.795 40.916 67.624 1.00 0.00 H new ATOM 0 HB3 TYR A 50 37.346 41.889 66.274 1.00 0.00 H new ATOM 0 HD1 TYR A 50 35.732 38.635 67.109 1.00 0.00 H new ATOM 0 HD2 TYR A 50 36.345 41.608 64.120 1.00 0.00 H new ATOM 0 HE1 TYR A 50 34.038 37.556 65.711 1.00 0.00 H new ATOM 0 HE2 TYR A 50 34.586 40.602 62.739 1.00 0.00 H new ATOM 0 HH TYR A 50 33.032 38.911 62.566 1.00 0.00 H new ATOM 777 N CYS A 51 38.442 38.057 68.080 1.00 0.00 N ATOM 778 CA CYS A 51 38.596 36.606 68.319 1.00 0.00 C ATOM 779 C CYS A 51 37.404 35.883 69.035 1.00 0.00 C ATOM 780 O CYS A 51 36.600 36.488 69.737 1.00 0.00 O ATOM 781 CB CYS A 51 39.830 36.411 69.229 1.00 0.00 C ATOM 782 SG CYS A 51 41.236 37.476 68.768 1.00 0.00 S ATOM 0 H CYS A 51 38.318 38.614 68.926 1.00 0.00 H new ATOM 0 HA CYS A 51 38.671 36.163 67.326 1.00 0.00 H new ATOM 0 HB2 CYS A 51 39.549 36.618 70.261 1.00 0.00 H new ATOM 0 HB3 CYS A 51 40.143 35.368 69.187 1.00 0.00 H new ATOM 787 N CYS A 52 37.407 34.505 68.888 1.00 0.00 N ATOM 788 CA CYS A 52 36.465 33.609 69.549 1.00 0.00 C ATOM 789 C CYS A 52 37.139 32.211 69.813 1.00 0.00 C ATOM 790 O CYS A 52 38.082 31.844 69.111 1.00 0.00 O ATOM 791 CB CYS A 52 35.236 33.410 68.683 1.00 0.00 C ATOM 792 SG CYS A 52 33.791 32.849 69.618 1.00 0.00 S ATOM 0 H CYS A 52 38.080 34.016 68.297 1.00 0.00 H new ATOM 0 HA CYS A 52 36.173 34.058 70.498 1.00 0.00 H new ATOM 0 HB2 CYS A 52 34.996 34.348 68.183 1.00 0.00 H new ATOM 0 HB3 CYS A 52 35.462 32.682 67.904 1.00 0.00 H new ATOM 797 N GLU A 53 36.589 31.385 70.787 1.00 0.00 N ATOM 798 CA GLU A 53 37.249 30.102 71.145 1.00 0.00 C ATOM 799 C GLU A 53 36.339 28.877 70.810 1.00 0.00 C ATOM 800 O GLU A 53 36.322 27.879 71.530 1.00 0.00 O ATOM 801 CB GLU A 53 37.805 30.112 72.588 1.00 0.00 C ATOM 802 CG GLU A 53 36.841 29.899 73.780 1.00 0.00 C ATOM 803 CD GLU A 53 35.782 30.979 73.911 1.00 0.00 C ATOM 804 OE1 GLU A 53 35.972 32.118 74.296 1.00 0.00 O ATOM 805 OE2 GLU A 53 34.573 30.521 73.589 1.00 0.00 O ATOM 0 H GLU A 53 35.733 31.588 71.303 1.00 0.00 H new ATOM 0 HA GLU A 53 38.130 29.989 70.514 1.00 0.00 H new ATOM 0 HB2 GLU A 53 38.572 29.340 72.647 1.00 0.00 H new ATOM 0 HB3 GLU A 53 38.304 31.069 72.739 1.00 0.00 H new ATOM 0 HG2 GLU A 53 36.349 28.932 73.670 1.00 0.00 H new ATOM 0 HG3 GLU A 53 37.421 29.858 74.702 1.00 0.00 H new ATOM 813 N SER A 54 35.653 28.922 69.606 1.00 0.00 N ATOM 814 CA SER A 54 34.745 27.834 69.225 1.00 0.00 C ATOM 815 C SER A 54 34.769 27.509 67.693 1.00 0.00 C ATOM 816 O SER A 54 35.305 28.261 66.884 1.00 0.00 O ATOM 817 CB SER A 54 33.280 28.032 69.706 1.00 0.00 C ATOM 818 OG SER A 54 32.617 26.771 69.758 1.00 0.00 O ATOM 0 H SER A 54 35.725 29.680 68.927 1.00 0.00 H new ATOM 0 HA SER A 54 35.147 26.972 69.758 1.00 0.00 H new ATOM 0 HB2 SER A 54 33.270 28.500 70.691 1.00 0.00 H new ATOM 0 HB3 SER A 54 32.752 28.704 69.029 1.00 0.00 H new ATOM 0 HG SER A 54 31.695 26.899 70.063 1.00 0.00 H new ATOM 824 N ASP A 55 34.205 26.287 67.350 1.00 0.00 N ATOM 825 CA ASP A 55 34.159 25.764 65.977 1.00 0.00 C ATOM 826 C ASP A 55 33.313 26.797 65.149 1.00 0.00 C ATOM 827 O ASP A 55 32.110 26.962 65.345 1.00 0.00 O ATOM 828 CB ASP A 55 33.539 24.352 65.947 1.00 0.00 C ATOM 829 CG ASP A 55 33.572 23.744 64.527 1.00 0.00 C ATOM 830 OD1 ASP A 55 34.608 23.951 63.881 1.00 0.00 O ATOM 831 OD2 ASP A 55 32.565 23.134 64.159 1.00 0.00 O ATOM 0 H ASP A 55 33.780 25.663 68.035 1.00 0.00 H new ATOM 0 HA ASP A 55 35.157 25.657 65.552 1.00 0.00 H new ATOM 0 HB2 ASP A 55 34.081 23.702 66.634 1.00 0.00 H new ATOM 0 HB3 ASP A 55 32.508 24.399 66.299 1.00 0.00 H new ATOM 836 N LYS A 56 34.004 27.538 64.193 1.00 0.00 N ATOM 837 CA LYS A 56 33.485 28.636 63.386 1.00 0.00 C ATOM 838 C LYS A 56 33.264 29.875 64.309 1.00 0.00 C ATOM 839 O LYS A 56 33.876 30.917 64.076 1.00 0.00 O ATOM 840 CB LYS A 56 32.272 28.400 62.461 1.00 0.00 C ATOM 841 CG LYS A 56 32.511 27.297 61.406 1.00 0.00 C ATOM 842 CD LYS A 56 32.268 25.867 61.917 1.00 0.00 C ATOM 843 CE LYS A 56 32.718 24.735 60.979 1.00 0.00 C ATOM 844 NZ LYS A 56 33.113 23.522 61.841 1.00 0.00 N ATOM 0 H LYS A 56 34.984 27.345 63.984 1.00 0.00 H new ATOM 0 HA LYS A 56 34.266 28.789 62.641 1.00 0.00 H new ATOM 0 HB2 LYS A 56 31.408 28.130 63.069 1.00 0.00 H new ATOM 0 HB3 LYS A 56 32.026 29.332 61.952 1.00 0.00 H new ATOM 0 HG2 LYS A 56 31.859 27.480 60.552 1.00 0.00 H new ATOM 0 HG3 LYS A 56 33.537 27.372 61.046 1.00 0.00 H new ATOM 0 HD2 LYS A 56 32.783 25.750 62.870 1.00 0.00 H new ATOM 0 HD3 LYS A 56 31.203 25.748 62.114 1.00 0.00 H new ATOM 0 HE2 LYS A 56 31.914 24.468 60.293 1.00 0.00 H new ATOM 0 HE3 LYS A 56 33.562 25.059 60.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 33.142 22.669 61.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 34.051 23.684 62.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 32.413 23.392 62.599 1.00 0.00 H new ATOM 858 N CYS A 57 32.327 29.749 65.319 1.00 0.00 N ATOM 859 CA CYS A 57 31.910 30.753 66.294 1.00 0.00 C ATOM 860 C CYS A 57 31.009 31.815 65.581 1.00 0.00 C ATOM 861 O CYS A 57 29.969 32.159 66.140 1.00 0.00 O ATOM 862 CB CYS A 57 33.011 31.377 67.178 1.00 0.00 C ATOM 863 SG CYS A 57 32.463 32.885 68.044 1.00 0.00 S ATOM 0 H CYS A 57 31.827 28.870 65.456 1.00 0.00 H new ATOM 0 HA CYS A 57 31.333 30.214 67.045 1.00 0.00 H new ATOM 0 HB2 CYS A 57 33.339 30.642 67.913 1.00 0.00 H new ATOM 0 HB3 CYS A 57 33.875 31.615 66.558 1.00 0.00 H new ATOM 868 N ASN A 58 31.388 32.323 64.342 1.00 0.00 N ATOM 869 CA ASN A 58 30.585 33.316 63.633 1.00 0.00 C ATOM 870 C ASN A 58 31.251 33.534 62.226 1.00 0.00 C ATOM 871 O ASN A 58 31.711 34.630 61.916 1.00 0.00 O ATOM 872 CB ASN A 58 30.397 34.634 64.441 1.00 0.00 C ATOM 873 CG ASN A 58 31.694 35.128 65.085 1.00 0.00 C ATOM 874 OD1 ASN A 58 32.782 35.080 64.541 1.00 0.00 O ATOM 875 ND2 ASN A 58 31.543 35.637 66.327 1.00 0.00 N ATOM 0 H ASN A 58 32.237 32.043 63.851 1.00 0.00 H new ATOM 0 HA ASN A 58 29.566 32.951 63.503 1.00 0.00 H new ATOM 0 HB2 ASN A 58 30.008 35.408 63.779 1.00 0.00 H new ATOM 0 HB3 ASN A 58 29.649 34.474 65.218 1.00 0.00 H new ATOM 0 HD21 ASN A 58 32.353 35.994 66.834 1.00 0.00 H new ATOM 0 HD22 ASN A 58 30.619 35.664 66.758 1.00 0.00 H new ATOM 882 N LEU A 59 31.303 32.443 61.371 1.00 0.00 N ATOM 883 CA LEU A 59 31.947 32.439 60.030 1.00 0.00 C ATOM 884 C LEU A 59 33.491 32.652 60.331 1.00 0.00 C ATOM 885 O LEU A 59 34.012 33.733 60.022 1.00 0.00 O ATOM 886 CB LEU A 59 31.310 33.373 58.966 1.00 0.00 C ATOM 887 CG LEU A 59 31.193 32.817 57.518 1.00 0.00 C ATOM 888 CD1 LEU A 59 30.481 31.453 57.445 1.00 0.00 C ATOM 889 CD2 LEU A 59 30.432 33.825 56.636 1.00 0.00 C ATOM 890 OXT LEU A 59 34.033 31.726 60.949 1.00 0.00 O ATOM 0 H LEU A 59 30.890 31.543 61.613 1.00 0.00 H new ATOM 0 HA LEU A 59 31.782 31.495 59.511 1.00 0.00 H new ATOM 0 HB2 LEU A 59 30.311 33.643 59.307 1.00 0.00 H new ATOM 0 HB3 LEU A 59 31.894 34.293 58.930 1.00 0.00 H new ATOM 0 HG LEU A 59 32.212 32.671 57.158 1.00 0.00 H new ATOM 0 HD11 LEU A 59 30.433 31.123 56.407 1.00 0.00 H new ATOM 0 HD12 LEU A 59 31.035 30.722 58.034 1.00 0.00 H new ATOM 0 HD13 LEU A 59 29.471 31.548 57.842 1.00 0.00 H new ATOM 0 HD21 LEU A 59 30.351 33.433 55.622 1.00 0.00 H new ATOM 0 HD22 LEU A 59 29.434 33.984 57.044 1.00 0.00 H new ATOM 0 HD23 LEU A 59 30.972 34.772 56.617 1.00 0.00 H new TER 902 LEU A 59