USER MOD reduce.3.24.130724 H: found=0, std=0, add=431, rem=0, adj=16 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 24 LYS NZ :NH3+ -111:sc= 0.536 (180deg=-0.946) USER MOD Set 1.2: A 58 ASN : amide:sc= 0.971 K(o=1.5,f=-15!) USER MOD Set 2.1: A 5 ASN : amide:sc= 0.406 K(o=1.1,f=0.49) USER MOD Set 2.2: A 6 HIS : no HD1:sc= -0.0678 K(o=1.1,f=-1.9) USER MOD Set 2.3: A 13 THR OG1 : rot -62:sc= 0.744 USER MOD Set 3.1: A 1 ARG N :NH3+ 157:sc= 2.02 (180deg=1.1) USER MOD Set 3.2: A 18 GLN : amide:sc= 0.137 K(o=2.2,f=-8.7!) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 111:sc= 0.17 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 ASN :FLIP amide:sc= -2.97! C(o=-4.2!,f=-3!) USER MOD Single : A 28 THR OG1 : rot -104:sc= 1.29 USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=-0.031) USER MOD Single : A 41 THR OG1 : rot -88:sc= 0.753 USER MOD Single : A 46 MET CE :methyl -155:sc= -0.209 (180deg=-0.88) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot -63:sc= 0.108 USER MOD Single : A 56 LYS NZ :NH3+ -161:sc= 0.328 (180deg=-0.135!) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 39.144 22.520 66.715 1.00 0.00 N ATOM 2 CA ARG A 1 37.984 23.352 66.135 1.00 0.00 C ATOM 3 C ARG A 1 38.323 23.623 64.632 1.00 0.00 C ATOM 4 O ARG A 1 39.384 23.193 64.189 1.00 0.00 O ATOM 5 CB ARG A 1 37.791 24.635 66.959 1.00 0.00 C ATOM 6 CG ARG A 1 38.701 25.855 66.690 1.00 0.00 C ATOM 7 CD ARG A 1 38.283 27.077 67.533 1.00 0.00 C ATOM 8 NE ARG A 1 38.279 27.049 69.018 1.00 0.00 N ATOM 9 CZ ARG A 1 38.995 26.348 69.887 1.00 0.00 C ATOM 10 NH1 ARG A 1 39.995 25.593 69.526 1.00 0.00 N ATOM 11 NH2 ARG A 1 38.662 26.381 71.152 1.00 0.00 N ATOM 0 H1 ARG A 1 39.175 22.640 67.748 1.00 0.00 H new ATOM 0 H2 ARG A 1 38.998 21.516 66.488 1.00 0.00 H new ATOM 0 H3 ARG A 1 40.043 22.842 66.302 1.00 0.00 H new ATOM 0 HA ARG A 1 37.032 22.824 66.189 1.00 0.00 H new ATOM 0 HB2 ARG A 1 36.760 24.960 66.821 1.00 0.00 H new ATOM 0 HB3 ARG A 1 37.904 24.369 68.010 1.00 0.00 H new ATOM 0 HG2 ARG A 1 39.735 25.594 66.916 1.00 0.00 H new ATOM 0 HG3 ARG A 1 38.661 26.112 65.632 1.00 0.00 H new ATOM 0 HD2 ARG A 1 38.934 27.900 67.237 1.00 0.00 H new ATOM 0 HD3 ARG A 1 37.273 27.342 67.222 1.00 0.00 H new ATOM 0 HE ARG A 1 37.604 27.683 69.447 1.00 0.00 H new ATOM 0 HH11 ARG A 1 40.253 25.525 68.542 1.00 0.00 H new ATOM 0 HH12 ARG A 1 40.519 25.071 70.228 1.00 0.00 H new ATOM 0 HH21 ARG A 1 37.864 26.939 71.455 1.00 0.00 H new ATOM 0 HH22 ARG A 1 39.201 25.848 71.835 1.00 0.00 H new ATOM 27 N ILE A 2 37.418 24.309 63.841 1.00 0.00 N ATOM 28 CA ILE A 2 37.697 24.647 62.425 1.00 0.00 C ATOM 29 C ILE A 2 37.225 26.135 62.199 1.00 0.00 C ATOM 30 O ILE A 2 36.094 26.503 62.514 1.00 0.00 O ATOM 31 CB ILE A 2 37.015 23.761 61.344 1.00 0.00 C ATOM 32 CG1 ILE A 2 37.479 22.279 61.375 1.00 0.00 C ATOM 33 CG2 ILE A 2 37.238 24.314 59.911 1.00 0.00 C ATOM 34 CD1 ILE A 2 36.569 21.301 60.608 1.00 0.00 C ATOM 0 H ILE A 2 36.507 24.626 64.172 1.00 0.00 H new ATOM 0 HA ILE A 2 38.765 24.479 62.290 1.00 0.00 H new ATOM 0 HB ILE A 2 35.955 23.795 61.595 1.00 0.00 H new ATOM 0 HG12 ILE A 2 38.485 22.219 60.959 1.00 0.00 H new ATOM 0 HG13 ILE A 2 37.543 21.955 62.414 1.00 0.00 H new ATOM 0 HG21 ILE A 2 36.744 23.664 59.189 1.00 0.00 H new ATOM 0 HG22 ILE A 2 36.821 25.318 59.840 1.00 0.00 H new ATOM 0 HG23 ILE A 2 38.306 24.349 59.697 1.00 0.00 H new ATOM 0 HD11 ILE A 2 36.973 20.291 60.686 1.00 0.00 H new ATOM 0 HD12 ILE A 2 35.567 21.325 61.036 1.00 0.00 H new ATOM 0 HD13 ILE A 2 36.523 21.594 59.559 1.00 0.00 H new ATOM 46 N CYS A 3 38.128 27.017 61.618 1.00 0.00 N ATOM 47 CA CYS A 3 37.745 28.383 61.219 1.00 0.00 C ATOM 48 C CYS A 3 38.287 28.617 59.752 1.00 0.00 C ATOM 49 O CYS A 3 39.357 28.140 59.378 1.00 0.00 O ATOM 50 CB CYS A 3 38.197 29.517 62.169 1.00 0.00 C ATOM 51 SG CYS A 3 38.089 29.000 63.923 1.00 0.00 S ATOM 0 H CYS A 3 39.103 26.785 61.430 1.00 0.00 H new ATOM 0 HA CYS A 3 36.658 28.439 61.271 1.00 0.00 H new ATOM 0 HB2 CYS A 3 39.222 29.803 61.935 1.00 0.00 H new ATOM 0 HB3 CYS A 3 37.575 30.398 62.009 1.00 0.00 H new ATOM 56 N TYR A 4 37.514 29.378 58.882 1.00 0.00 N ATOM 57 CA TYR A 4 37.832 29.393 57.439 1.00 0.00 C ATOM 58 C TYR A 4 38.982 30.399 57.047 1.00 0.00 C ATOM 59 O TYR A 4 39.248 31.344 57.780 1.00 0.00 O ATOM 60 CB TYR A 4 36.544 29.724 56.650 1.00 0.00 C ATOM 61 CG TYR A 4 35.302 29.055 57.223 1.00 0.00 C ATOM 62 CD1 TYR A 4 35.117 27.675 57.206 1.00 0.00 C ATOM 63 CD2 TYR A 4 34.324 29.819 57.857 1.00 0.00 C ATOM 64 CE1 TYR A 4 33.984 27.085 57.746 1.00 0.00 C ATOM 65 CE2 TYR A 4 33.179 29.254 58.398 1.00 0.00 C ATOM 66 CZ TYR A 4 32.970 27.874 58.305 1.00 0.00 C ATOM 67 OH TYR A 4 31.818 27.274 58.749 1.00 0.00 O ATOM 0 H TYR A 4 36.716 29.950 59.158 1.00 0.00 H new ATOM 0 HA TYR A 4 38.208 28.402 57.183 1.00 0.00 H new ATOM 0 HB2 TYR A 4 36.397 30.804 56.643 1.00 0.00 H new ATOM 0 HB3 TYR A 4 36.671 29.413 55.613 1.00 0.00 H new ATOM 0 HD1 TYR A 4 35.875 27.048 56.761 1.00 0.00 H new ATOM 0 HD2 TYR A 4 34.463 30.888 57.929 1.00 0.00 H new ATOM 0 HE1 TYR A 4 33.883 26.010 57.736 1.00 0.00 H new ATOM 0 HE2 TYR A 4 32.449 29.879 58.891 1.00 0.00 H new ATOM 0 HH TYR A 4 31.213 27.955 59.111 1.00 0.00 H new ATOM 77 N ASN A 5 39.647 30.211 55.836 1.00 0.00 N ATOM 78 CA ASN A 5 40.837 31.031 55.475 1.00 0.00 C ATOM 79 C ASN A 5 40.816 31.475 53.983 1.00 0.00 C ATOM 80 O ASN A 5 41.694 32.244 53.592 1.00 0.00 O ATOM 81 CB ASN A 5 42.074 30.152 55.747 1.00 0.00 C ATOM 82 CG ASN A 5 43.403 30.626 55.164 1.00 0.00 C ATOM 83 OD1 ASN A 5 43.858 30.187 54.123 1.00 0.00 O ATOM 84 ND2 ASN A 5 44.088 31.506 55.922 1.00 0.00 N ATOM 0 H ASN A 5 39.376 29.522 55.134 1.00 0.00 H new ATOM 0 HA ASN A 5 40.848 31.947 56.066 1.00 0.00 H new ATOM 0 HB2 ASN A 5 42.192 30.058 56.827 1.00 0.00 H new ATOM 0 HB3 ASN A 5 41.871 29.153 55.360 1.00 0.00 H new ATOM 0 HD21 ASN A 5 45.013 31.821 55.628 1.00 0.00 H new ATOM 0 HD22 ASN A 5 43.682 31.857 56.789 1.00 0.00 H new ATOM 91 N HIS A 6 39.780 31.071 53.159 1.00 0.00 N ATOM 92 CA HIS A 6 39.728 31.236 51.722 1.00 0.00 C ATOM 93 C HIS A 6 39.591 32.723 51.238 1.00 0.00 C ATOM 94 O HIS A 6 39.929 33.684 51.921 1.00 0.00 O ATOM 95 CB HIS A 6 40.777 30.346 50.961 1.00 0.00 C ATOM 96 CG HIS A 6 42.172 30.871 50.884 1.00 0.00 C ATOM 97 ND1 HIS A 6 43.302 30.034 50.963 1.00 0.00 N ATOM 98 CD2 HIS A 6 42.707 32.119 50.729 1.00 0.00 C ATOM 99 CE1 HIS A 6 44.439 30.723 50.931 1.00 0.00 C ATOM 100 NE2 HIS A 6 44.088 32.008 50.776 1.00 0.00 N ATOM 0 H HIS A 6 38.948 30.610 53.528 1.00 0.00 H new ATOM 0 HA HIS A 6 38.770 30.820 51.410 1.00 0.00 H new ATOM 0 HB2 HIS A 6 40.807 29.369 51.443 1.00 0.00 H new ATOM 0 HB3 HIS A 6 40.416 30.189 49.945 1.00 0.00 H new ATOM 0 HD2 HIS A 6 42.150 33.034 50.593 1.00 0.00 H new ATOM 0 HE1 HIS A 6 45.441 30.328 51.013 1.00 0.00 H new ATOM 0 HE2 HIS A 6 44.741 32.788 50.703 1.00 0.00 H new ATOM 109 N LEU A 7 39.026 32.874 49.985 1.00 0.00 N ATOM 110 CA LEU A 7 38.660 34.164 49.409 1.00 0.00 C ATOM 111 C LEU A 7 39.856 34.999 48.835 1.00 0.00 C ATOM 112 O LEU A 7 41.000 34.554 48.784 1.00 0.00 O ATOM 113 CB LEU A 7 37.688 34.957 50.315 1.00 0.00 C ATOM 114 CG LEU A 7 36.421 34.169 50.736 1.00 0.00 C ATOM 115 CD1 LEU A 7 35.529 34.998 51.670 1.00 0.00 C ATOM 116 CD2 LEU A 7 35.610 33.726 49.507 1.00 0.00 C ATOM 0 H LEU A 7 38.824 32.085 49.371 1.00 0.00 H new ATOM 0 HA LEU A 7 38.094 33.927 48.508 1.00 0.00 H new ATOM 0 HB2 LEU A 7 38.221 35.271 51.212 1.00 0.00 H new ATOM 0 HB3 LEU A 7 37.381 35.863 49.793 1.00 0.00 H new ATOM 0 HG LEU A 7 36.760 33.284 51.274 1.00 0.00 H new ATOM 0 HD11 LEU A 7 34.650 34.415 51.945 1.00 0.00 H new ATOM 0 HD12 LEU A 7 36.087 35.260 52.569 1.00 0.00 H new ATOM 0 HD13 LEU A 7 35.215 35.909 51.160 1.00 0.00 H new ATOM 0 HD21 LEU A 7 34.727 33.176 49.833 1.00 0.00 H new ATOM 0 HD22 LEU A 7 35.301 34.604 48.939 1.00 0.00 H new ATOM 0 HD23 LEU A 7 36.226 33.084 48.877 1.00 0.00 H new ATOM 128 N GLY A 8 39.491 36.212 48.268 1.00 0.00 N ATOM 129 CA GLY A 8 40.440 37.024 47.511 1.00 0.00 C ATOM 130 C GLY A 8 40.882 36.253 46.214 1.00 0.00 C ATOM 131 O GLY A 8 40.084 35.812 45.389 1.00 0.00 O ATOM 0 H GLY A 8 38.556 36.614 48.338 1.00 0.00 H new ATOM 0 HA2 GLY A 8 39.984 37.977 47.242 1.00 0.00 H new ATOM 0 HA3 GLY A 8 41.311 37.250 48.126 1.00 0.00 H new ATOM 135 N THR A 9 42.251 36.131 46.045 1.00 0.00 N ATOM 136 CA THR A 9 42.863 35.591 44.821 1.00 0.00 C ATOM 137 C THR A 9 42.595 34.067 44.686 1.00 0.00 C ATOM 138 O THR A 9 42.358 33.581 43.580 1.00 0.00 O ATOM 139 CB THR A 9 44.412 35.788 44.803 1.00 0.00 C ATOM 140 OG1 THR A 9 44.716 37.172 45.015 1.00 0.00 O ATOM 141 CG2 THR A 9 45.096 35.341 43.503 1.00 0.00 C ATOM 0 H THR A 9 42.929 36.406 46.756 1.00 0.00 H new ATOM 0 HA THR A 9 42.409 36.140 43.996 1.00 0.00 H new ATOM 0 HB THR A 9 44.799 35.152 45.599 1.00 0.00 H new ATOM 0 HG1 THR A 9 45.688 37.299 45.006 1.00 0.00 H new ATOM 0 HG21 THR A 9 46.170 35.514 43.579 1.00 0.00 H new ATOM 0 HG22 THR A 9 44.910 34.279 43.340 1.00 0.00 H new ATOM 0 HG23 THR A 9 44.695 35.912 42.666 1.00 0.00 H new ATOM 149 N LYS A 10 42.710 33.302 45.832 1.00 0.00 N ATOM 150 CA LYS A 10 42.626 31.831 45.851 1.00 0.00 C ATOM 151 C LYS A 10 41.443 31.420 46.799 1.00 0.00 C ATOM 152 O LYS A 10 41.610 31.421 48.014 1.00 0.00 O ATOM 153 CB LYS A 10 43.953 31.178 46.303 1.00 0.00 C ATOM 154 CG LYS A 10 45.123 31.291 45.279 1.00 0.00 C ATOM 155 CD LYS A 10 44.756 30.862 43.834 1.00 0.00 C ATOM 156 CE LYS A 10 45.953 30.742 42.881 1.00 0.00 C ATOM 157 NZ LYS A 10 45.485 30.268 41.496 1.00 0.00 N ATOM 0 H LYS A 10 42.863 33.709 46.754 1.00 0.00 H new ATOM 0 HA LYS A 10 42.440 31.471 44.839 1.00 0.00 H new ATOM 0 HB2 LYS A 10 44.265 31.636 47.241 1.00 0.00 H new ATOM 0 HB3 LYS A 10 43.770 30.123 46.509 1.00 0.00 H new ATOM 0 HG2 LYS A 10 45.474 32.323 45.260 1.00 0.00 H new ATOM 0 HG3 LYS A 10 45.954 30.677 45.627 1.00 0.00 H new ATOM 0 HD2 LYS A 10 44.242 29.902 43.873 1.00 0.00 H new ATOM 0 HD3 LYS A 10 44.051 31.584 43.422 1.00 0.00 H new ATOM 0 HE2 LYS A 10 46.455 31.706 42.793 1.00 0.00 H new ATOM 0 HE3 LYS A 10 46.681 30.039 43.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 46.304 30.191 40.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 45.026 29.339 41.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 44.807 30.953 41.105 1.00 0.00 H new ATOM 171 N PRO A 11 40.257 30.936 46.234 1.00 0.00 N ATOM 172 CA PRO A 11 39.110 30.617 47.121 1.00 0.00 C ATOM 173 C PRO A 11 38.974 29.223 47.866 1.00 0.00 C ATOM 174 O PRO A 11 38.161 29.197 48.792 1.00 0.00 O ATOM 175 CB PRO A 11 37.854 30.816 46.252 1.00 0.00 C ATOM 176 CG PRO A 11 38.296 31.900 45.267 1.00 0.00 C ATOM 177 CD PRO A 11 39.729 31.466 44.965 1.00 0.00 C ATOM 0 HA PRO A 11 39.269 31.276 47.974 1.00 0.00 H new ATOM 0 HB2 PRO A 11 37.565 29.898 45.741 1.00 0.00 H new ATOM 0 HB3 PRO A 11 36.997 31.133 46.846 1.00 0.00 H new ATOM 0 HG2 PRO A 11 37.675 31.919 44.371 1.00 0.00 H new ATOM 0 HG3 PRO A 11 38.253 32.897 45.706 1.00 0.00 H new ATOM 0 HD2 PRO A 11 39.752 30.707 44.183 1.00 0.00 H new ATOM 0 HD3 PRO A 11 40.327 32.306 44.612 1.00 0.00 H new ATOM 185 N PRO A 12 39.794 28.125 47.613 1.00 0.00 N ATOM 186 CA PRO A 12 39.530 26.805 48.222 1.00 0.00 C ATOM 187 C PRO A 12 39.795 26.340 49.696 1.00 0.00 C ATOM 188 O PRO A 12 39.251 25.268 49.983 1.00 0.00 O ATOM 189 CB PRO A 12 40.474 25.893 47.410 1.00 0.00 C ATOM 190 CG PRO A 12 40.311 26.434 45.994 1.00 0.00 C ATOM 191 CD PRO A 12 40.345 27.938 46.265 1.00 0.00 C ATOM 0 HA PRO A 12 38.440 26.798 48.220 1.00 0.00 H new ATOM 0 HB2 PRO A 12 41.505 25.964 47.756 1.00 0.00 H new ATOM 0 HB3 PRO A 12 40.186 24.844 47.480 1.00 0.00 H new ATOM 0 HG2 PRO A 12 41.116 26.114 45.333 1.00 0.00 H new ATOM 0 HG3 PRO A 12 39.375 26.117 45.534 1.00 0.00 H new ATOM 0 HD2 PRO A 12 41.364 28.321 46.204 1.00 0.00 H new ATOM 0 HD3 PRO A 12 39.756 28.480 45.525 1.00 0.00 H new ATOM 199 N THR A 13 40.550 27.011 50.650 1.00 0.00 N ATOM 200 CA THR A 13 40.848 26.346 51.942 1.00 0.00 C ATOM 201 C THR A 13 40.188 26.893 53.240 1.00 0.00 C ATOM 202 O THR A 13 39.803 28.044 53.413 1.00 0.00 O ATOM 203 CB THR A 13 42.378 26.280 52.215 1.00 0.00 C ATOM 204 OG1 THR A 13 42.994 27.538 52.492 1.00 0.00 O ATOM 205 CG2 THR A 13 43.158 25.643 51.052 1.00 0.00 C ATOM 0 H THR A 13 40.932 27.951 50.542 1.00 0.00 H new ATOM 0 HA THR A 13 40.388 25.374 51.764 1.00 0.00 H new ATOM 0 HB THR A 13 42.433 25.661 53.111 1.00 0.00 H new ATOM 0 HG1 THR A 13 42.903 28.126 51.713 1.00 0.00 H new ATOM 0 HG21 THR A 13 44.220 25.622 51.295 1.00 0.00 H new ATOM 0 HG22 THR A 13 42.803 24.625 50.890 1.00 0.00 H new ATOM 0 HG23 THR A 13 43.004 26.230 50.146 1.00 0.00 H new ATOM 213 N THR A 14 40.207 25.936 54.225 1.00 0.00 N ATOM 214 CA THR A 14 39.689 26.062 55.579 1.00 0.00 C ATOM 215 C THR A 14 40.778 25.529 56.560 1.00 0.00 C ATOM 216 O THR A 14 41.558 24.640 56.216 1.00 0.00 O ATOM 217 CB THR A 14 38.360 25.312 55.706 1.00 0.00 C ATOM 218 OG1 THR A 14 38.421 23.896 55.503 1.00 0.00 O ATOM 219 CG2 THR A 14 37.362 25.855 54.655 1.00 0.00 C ATOM 0 H THR A 14 40.613 25.015 54.058 1.00 0.00 H new ATOM 0 HA THR A 14 39.478 27.102 55.827 1.00 0.00 H new ATOM 0 HB THR A 14 38.056 25.482 56.739 1.00 0.00 H new ATOM 0 HG1 THR A 14 37.525 23.512 55.607 1.00 0.00 H new ATOM 0 HG21 THR A 14 36.415 25.323 54.743 1.00 0.00 H new ATOM 0 HG22 THR A 14 37.197 26.919 54.825 1.00 0.00 H new ATOM 0 HG23 THR A 14 37.770 25.706 53.655 1.00 0.00 H new ATOM 227 N GLU A 15 40.841 26.117 57.811 1.00 0.00 N ATOM 228 CA GLU A 15 41.951 25.804 58.736 1.00 0.00 C ATOM 229 C GLU A 15 41.402 25.091 60.012 1.00 0.00 C ATOM 230 O GLU A 15 40.703 25.656 60.850 1.00 0.00 O ATOM 231 CB GLU A 15 42.834 27.001 59.187 1.00 0.00 C ATOM 232 CG GLU A 15 43.923 27.400 58.167 1.00 0.00 C ATOM 233 CD GLU A 15 44.816 28.482 58.780 1.00 0.00 C ATOM 234 OE1 GLU A 15 44.433 29.590 59.113 1.00 0.00 O ATOM 235 OE2 GLU A 15 46.082 28.069 58.907 1.00 0.00 O ATOM 0 H GLU A 15 40.156 26.781 58.172 1.00 0.00 H new ATOM 0 HA GLU A 15 42.605 25.161 58.147 1.00 0.00 H new ATOM 0 HB2 GLU A 15 42.192 27.862 59.373 1.00 0.00 H new ATOM 0 HB3 GLU A 15 43.312 26.750 60.134 1.00 0.00 H new ATOM 0 HG2 GLU A 15 44.520 26.530 57.896 1.00 0.00 H new ATOM 0 HG3 GLU A 15 43.462 27.768 57.251 1.00 0.00 H new ATOM 243 N THR A 16 41.800 23.766 60.167 1.00 0.00 N ATOM 244 CA THR A 16 41.587 23.086 61.450 1.00 0.00 C ATOM 245 C THR A 16 42.579 23.781 62.449 1.00 0.00 C ATOM 246 O THR A 16 43.793 23.829 62.246 1.00 0.00 O ATOM 247 CB THR A 16 41.857 21.550 61.472 1.00 0.00 C ATOM 248 OG1 THR A 16 40.741 20.898 60.862 1.00 0.00 O ATOM 249 CG2 THR A 16 42.095 20.989 62.885 1.00 0.00 C ATOM 0 H THR A 16 42.244 23.201 59.443 1.00 0.00 H new ATOM 0 HA THR A 16 40.529 23.174 61.699 1.00 0.00 H new ATOM 0 HB THR A 16 42.779 21.361 60.922 1.00 0.00 H new ATOM 0 HG1 THR A 16 40.888 19.929 60.862 1.00 0.00 H new ATOM 0 HG21 THR A 16 42.276 19.916 62.825 1.00 0.00 H new ATOM 0 HG22 THR A 16 42.961 21.479 63.330 1.00 0.00 H new ATOM 0 HG23 THR A 16 41.216 21.174 63.503 1.00 0.00 H new ATOM 257 N CYS A 17 42.019 24.313 63.597 1.00 0.00 N ATOM 258 CA CYS A 17 42.810 24.891 64.680 1.00 0.00 C ATOM 259 C CYS A 17 42.484 24.042 65.953 1.00 0.00 C ATOM 260 O CYS A 17 41.328 23.800 66.304 1.00 0.00 O ATOM 261 CB CYS A 17 42.473 26.342 65.005 1.00 0.00 C ATOM 262 SG CYS A 17 43.843 27.408 65.549 1.00 0.00 S ATOM 0 H CYS A 17 41.013 24.338 63.766 1.00 0.00 H new ATOM 0 HA CYS A 17 43.856 24.877 64.373 1.00 0.00 H new ATOM 0 HB2 CYS A 17 42.025 26.792 64.119 1.00 0.00 H new ATOM 0 HB3 CYS A 17 41.711 26.346 65.784 1.00 0.00 H new ATOM 267 N GLN A 18 43.549 23.599 66.703 1.00 0.00 N ATOM 268 CA GLN A 18 43.325 23.073 68.031 1.00 0.00 C ATOM 269 C GLN A 18 44.530 23.614 68.848 1.00 0.00 C ATOM 270 O GLN A 18 45.301 22.878 69.458 1.00 0.00 O ATOM 271 CB GLN A 18 43.097 21.561 68.097 1.00 0.00 C ATOM 272 CG GLN A 18 42.516 21.144 69.464 1.00 0.00 C ATOM 273 CD GLN A 18 40.987 21.285 69.519 1.00 0.00 C ATOM 274 OE1 GLN A 18 40.367 22.214 69.024 1.00 0.00 O ATOM 275 NE2 GLN A 18 40.358 20.276 70.160 1.00 0.00 N ATOM 0 H GLN A 18 44.522 23.608 66.397 1.00 0.00 H new ATOM 0 HA GLN A 18 42.378 23.407 68.454 1.00 0.00 H new ATOM 0 HB2 GLN A 18 42.416 21.258 67.302 1.00 0.00 H new ATOM 0 HB3 GLN A 18 44.039 21.041 67.925 1.00 0.00 H new ATOM 0 HG2 GLN A 18 42.790 20.110 69.672 1.00 0.00 H new ATOM 0 HG3 GLN A 18 42.963 21.756 70.247 1.00 0.00 H new ATOM 0 HE21 GLN A 18 40.900 19.512 70.564 1.00 0.00 H new ATOM 0 HE22 GLN A 18 39.341 20.278 70.240 1.00 0.00 H new ATOM 284 N GLU A 19 44.647 24.992 68.824 1.00 0.00 N ATOM 285 CA GLU A 19 45.707 25.727 69.507 1.00 0.00 C ATOM 286 C GLU A 19 45.003 26.865 70.301 1.00 0.00 C ATOM 287 O GLU A 19 45.425 28.011 70.244 1.00 0.00 O ATOM 288 CB GLU A 19 46.774 26.195 68.497 1.00 0.00 C ATOM 289 CG GLU A 19 48.053 26.856 69.045 1.00 0.00 C ATOM 290 CD GLU A 19 48.938 27.248 67.872 1.00 0.00 C ATOM 291 OE1 GLU A 19 48.932 28.334 67.309 1.00 0.00 O ATOM 292 OE2 GLU A 19 49.740 26.254 67.501 1.00 0.00 O ATOM 0 H GLU A 19 43.994 25.594 68.323 1.00 0.00 H new ATOM 0 HA GLU A 19 46.268 25.115 70.213 1.00 0.00 H new ATOM 0 HB2 GLU A 19 47.073 25.331 67.904 1.00 0.00 H new ATOM 0 HB3 GLU A 19 46.300 26.901 67.815 1.00 0.00 H new ATOM 0 HG2 GLU A 19 47.800 27.735 69.638 1.00 0.00 H new ATOM 0 HG3 GLU A 19 48.582 26.168 69.704 1.00 0.00 H new ATOM 300 N ASP A 20 43.892 26.512 71.049 1.00 0.00 N ATOM 301 CA ASP A 20 43.145 27.360 71.978 1.00 0.00 C ATOM 302 C ASP A 20 42.153 28.367 71.298 1.00 0.00 C ATOM 303 O ASP A 20 41.046 28.581 71.792 1.00 0.00 O ATOM 304 CB ASP A 20 42.468 26.488 73.047 1.00 0.00 C ATOM 305 CG ASP A 20 41.383 25.501 72.520 1.00 0.00 C ATOM 306 OD1 ASP A 20 41.688 24.839 71.520 1.00 0.00 O ATOM 307 OD2 ASP A 20 40.310 25.504 73.128 1.00 0.00 O ATOM 0 H ASP A 20 43.498 25.573 70.995 1.00 0.00 H new ATOM 0 HA ASP A 20 43.872 28.013 72.460 1.00 0.00 H new ATOM 0 HB2 ASP A 20 43.237 25.913 73.562 1.00 0.00 H new ATOM 0 HB3 ASP A 20 42.009 27.143 73.788 1.00 0.00 H new ATOM 312 N SER A 21 42.608 29.076 70.199 1.00 0.00 N ATOM 313 CA SER A 21 41.805 30.179 69.660 1.00 0.00 C ATOM 314 C SER A 21 41.920 30.402 68.123 1.00 0.00 C ATOM 315 O SER A 21 42.835 29.954 67.433 1.00 0.00 O ATOM 316 CB SER A 21 42.142 31.542 70.351 1.00 0.00 C ATOM 317 OG SER A 21 41.791 31.616 71.730 1.00 0.00 O ATOM 0 H SER A 21 43.485 28.895 69.710 1.00 0.00 H new ATOM 0 HA SER A 21 40.786 29.859 69.877 1.00 0.00 H new ATOM 0 HB2 SER A 21 43.211 31.729 70.252 1.00 0.00 H new ATOM 0 HB3 SER A 21 41.628 32.341 69.816 1.00 0.00 H new ATOM 0 HG SER A 21 42.606 31.637 72.274 1.00 0.00 H new ATOM 323 N CYS A 22 40.888 31.169 67.610 1.00 0.00 N ATOM 324 CA CYS A 22 40.904 31.576 66.217 1.00 0.00 C ATOM 325 C CYS A 22 40.347 33.012 66.013 1.00 0.00 C ATOM 326 O CYS A 22 39.959 33.686 66.968 1.00 0.00 O ATOM 327 CB CYS A 22 40.260 30.529 65.260 1.00 0.00 C ATOM 328 SG CYS A 22 38.481 30.766 64.928 1.00 0.00 S ATOM 0 H CYS A 22 40.081 31.489 68.145 1.00 0.00 H new ATOM 0 HA CYS A 22 41.955 31.614 65.930 1.00 0.00 H new ATOM 0 HB2 CYS A 22 40.796 30.551 64.311 1.00 0.00 H new ATOM 0 HB3 CYS A 22 40.404 29.536 65.685 1.00 0.00 H new ATOM 333 N TYR A 23 40.358 33.475 64.710 1.00 0.00 N ATOM 334 CA TYR A 23 40.060 34.878 64.490 1.00 0.00 C ATOM 335 C TYR A 23 39.448 35.206 63.105 1.00 0.00 C ATOM 336 O TYR A 23 39.634 34.521 62.100 1.00 0.00 O ATOM 337 CB TYR A 23 41.354 35.752 64.627 1.00 0.00 C ATOM 338 CG TYR A 23 42.370 35.456 63.542 1.00 0.00 C ATOM 339 CD1 TYR A 23 42.313 36.115 62.316 1.00 0.00 C ATOM 340 CD2 TYR A 23 43.397 34.532 63.723 1.00 0.00 C ATOM 341 CE1 TYR A 23 43.262 35.919 61.325 1.00 0.00 C ATOM 342 CE2 TYR A 23 44.347 34.303 62.738 1.00 0.00 C ATOM 343 CZ TYR A 23 44.303 35.009 61.524 1.00 0.00 C ATOM 344 OH TYR A 23 45.264 34.768 60.584 1.00 0.00 O ATOM 0 H TYR A 23 40.558 32.920 63.878 1.00 0.00 H new ATOM 0 HA TYR A 23 39.318 35.109 65.254 1.00 0.00 H new ATOM 0 HB2 TYR A 23 41.082 36.807 64.588 1.00 0.00 H new ATOM 0 HB3 TYR A 23 41.807 35.575 65.603 1.00 0.00 H new ATOM 0 HD1 TYR A 23 41.501 36.803 62.131 1.00 0.00 H new ATOM 0 HD2 TYR A 23 43.455 33.982 64.651 1.00 0.00 H new ATOM 0 HE1 TYR A 23 43.197 36.470 60.398 1.00 0.00 H new ATOM 0 HE2 TYR A 23 45.127 33.575 62.906 1.00 0.00 H new ATOM 0 HH TYR A 23 45.895 34.100 60.925 1.00 0.00 H new ATOM 354 N LYS A 24 38.725 36.386 63.121 1.00 0.00 N ATOM 355 CA LYS A 24 38.156 37.011 61.929 1.00 0.00 C ATOM 356 C LYS A 24 39.007 38.298 61.632 1.00 0.00 C ATOM 357 O LYS A 24 39.331 39.112 62.495 1.00 0.00 O ATOM 358 CB LYS A 24 36.675 37.409 62.065 1.00 0.00 C ATOM 359 CG LYS A 24 35.607 36.294 61.955 1.00 0.00 C ATOM 360 CD LYS A 24 35.594 35.194 63.041 1.00 0.00 C ATOM 361 CE LYS A 24 35.601 35.774 64.464 1.00 0.00 C ATOM 362 NZ LYS A 24 34.939 34.853 65.484 1.00 0.00 N ATOM 0 H LYS A 24 38.538 36.907 63.978 1.00 0.00 H new ATOM 0 HA LYS A 24 38.191 36.278 61.123 1.00 0.00 H new ATOM 0 HB2 LYS A 24 36.548 37.898 63.031 1.00 0.00 H new ATOM 0 HB3 LYS A 24 36.459 38.155 61.300 1.00 0.00 H new ATOM 0 HG2 LYS A 24 34.626 36.770 61.950 1.00 0.00 H new ATOM 0 HG3 LYS A 24 35.730 35.807 60.988 1.00 0.00 H new ATOM 0 HD2 LYS A 24 34.710 34.569 62.911 1.00 0.00 H new ATOM 0 HD3 LYS A 24 36.463 34.549 62.911 1.00 0.00 H new ATOM 0 HE2 LYS A 24 36.630 35.964 64.768 1.00 0.00 H new ATOM 0 HE3 LYS A 24 35.086 36.735 64.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 34.048 35.279 65.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 34.741 33.932 65.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 35.576 34.719 66.295 1.00 0.00 H new ATOM 376 N ASN A 25 39.351 38.462 60.309 1.00 0.00 N ATOM 377 CA ASN A 25 40.186 39.542 59.768 1.00 0.00 C ATOM 378 C ASN A 25 39.376 40.022 58.508 1.00 0.00 C ATOM 379 O ASN A 25 39.176 39.254 57.568 1.00 0.00 O ATOM 380 CB ASN A 25 41.579 39.041 59.445 1.00 0.00 C ATOM 381 CG ASN A 25 42.485 40.183 59.066 1.00 0.00 C ATOM 382 OD1 ASN A 25 42.323 40.620 57.801 1.00 0.00 O flip ATOM 383 ND2 ASN A 25 43.264 40.702 59.842 1.00 0.00 N flip ATOM 0 H ASN A 25 39.034 37.815 59.587 1.00 0.00 H new ATOM 0 HA ASN A 25 40.363 40.362 60.464 1.00 0.00 H new ATOM 0 HB2 ASN A 25 41.990 38.516 60.307 1.00 0.00 H new ATOM 0 HB3 ASN A 25 41.531 38.322 58.627 1.00 0.00 H new ATOM 0 HD21 ASN A 25 43.356 40.340 60.791 1.00 0.00 H new ATOM 0 HD22 ASN A 25 43.826 41.500 59.544 1.00 0.00 H new ATOM 390 N ILE A 26 38.934 41.355 58.489 1.00 0.00 N ATOM 391 CA ILE A 26 37.694 41.669 57.719 1.00 0.00 C ATOM 392 C ILE A 26 37.672 42.946 56.812 1.00 0.00 C ATOM 393 O ILE A 26 36.876 43.034 55.880 1.00 0.00 O ATOM 394 CB ILE A 26 36.519 41.746 58.723 1.00 0.00 C ATOM 395 CG1 ILE A 26 36.321 43.062 59.526 1.00 0.00 C ATOM 396 CG2 ILE A 26 36.525 40.544 59.693 1.00 0.00 C ATOM 397 CD1 ILE A 26 37.448 43.558 60.450 1.00 0.00 C ATOM 0 H ILE A 26 39.385 42.141 58.957 1.00 0.00 H new ATOM 0 HA ILE A 26 37.623 40.858 56.994 1.00 0.00 H new ATOM 0 HB ILE A 26 35.660 41.721 58.053 1.00 0.00 H new ATOM 0 HG12 ILE A 26 36.113 43.855 58.808 1.00 0.00 H new ATOM 0 HG13 ILE A 26 35.426 42.942 60.136 1.00 0.00 H new ATOM 0 HG21 ILE A 26 35.687 40.630 60.384 1.00 0.00 H new ATOM 0 HG22 ILE A 26 36.434 39.618 59.125 1.00 0.00 H new ATOM 0 HG23 ILE A 26 37.459 40.535 60.255 1.00 0.00 H new ATOM 0 HD11 ILE A 26 37.142 44.487 60.931 1.00 0.00 H new ATOM 0 HD12 ILE A 26 37.652 42.805 61.212 1.00 0.00 H new ATOM 0 HD13 ILE A 26 38.349 43.733 59.863 1.00 0.00 H new ATOM 409 N TRP A 27 38.529 43.959 57.166 1.00 0.00 N ATOM 410 CA TRP A 27 38.901 45.214 56.506 1.00 0.00 C ATOM 411 C TRP A 27 39.633 44.857 55.139 1.00 0.00 C ATOM 412 O TRP A 27 39.030 44.387 54.180 1.00 0.00 O ATOM 413 CB TRP A 27 39.861 45.993 57.492 1.00 0.00 C ATOM 414 CG TRP A 27 40.726 45.066 58.319 1.00 0.00 C ATOM 415 CD1 TRP A 27 41.095 43.733 57.978 1.00 0.00 C ATOM 416 CD2 TRP A 27 41.091 45.179 59.657 1.00 0.00 C ATOM 417 NE1 TRP A 27 41.503 43.012 59.056 1.00 0.00 N ATOM 418 CE2 TRP A 27 41.551 43.933 60.088 1.00 0.00 C ATOM 419 CE3 TRP A 27 40.959 46.207 60.624 1.00 0.00 C ATOM 420 CZ2 TRP A 27 41.905 43.630 61.359 1.00 0.00 C ATOM 421 CZ3 TRP A 27 41.322 45.939 61.935 1.00 0.00 C ATOM 422 CH2 TRP A 27 41.799 44.663 62.300 1.00 0.00 C ATOM 0 H TRP A 27 39.034 43.880 58.049 1.00 0.00 H new ATOM 0 HA TRP A 27 38.037 45.838 56.278 1.00 0.00 H new ATOM 0 HB2 TRP A 27 40.500 46.663 56.917 1.00 0.00 H new ATOM 0 HB3 TRP A 27 39.264 46.616 58.158 1.00 0.00 H new ATOM 0 HD1 TRP A 27 41.055 43.338 56.973 1.00 0.00 H new ATOM 0 HE1 TRP A 27 41.724 42.017 59.095 1.00 0.00 H new ATOM 0 HE3 TRP A 27 40.583 47.180 60.345 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 42.251 42.644 61.633 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 41.239 46.714 62.683 1.00 0.00 H new ATOM 0 HH2 TRP A 27 42.088 44.478 63.324 1.00 0.00 H new ATOM 433 N THR A 28 41.002 45.110 55.073 1.00 0.00 N ATOM 434 CA THR A 28 41.874 44.797 53.944 1.00 0.00 C ATOM 435 C THR A 28 41.716 45.810 52.750 1.00 0.00 C ATOM 436 O THR A 28 40.706 46.494 52.603 1.00 0.00 O ATOM 437 CB THR A 28 41.791 43.349 53.367 1.00 0.00 C ATOM 438 OG1 THR A 28 43.000 43.034 52.679 1.00 0.00 O ATOM 439 CG2 THR A 28 41.383 42.173 54.273 1.00 0.00 C ATOM 0 H THR A 28 41.505 45.550 55.844 1.00 0.00 H new ATOM 0 HA THR A 28 42.856 44.888 54.409 1.00 0.00 H new ATOM 0 HB THR A 28 40.921 43.427 52.716 1.00 0.00 H new ATOM 0 HG1 THR A 28 42.848 43.081 51.712 1.00 0.00 H new ATOM 0 HG21 THR A 28 41.383 41.250 53.693 1.00 0.00 H new ATOM 0 HG22 THR A 28 42.092 42.084 55.096 1.00 0.00 H new ATOM 0 HG23 THR A 28 40.385 42.351 54.673 1.00 0.00 H new ATOM 447 N PHE A 29 42.773 45.852 51.844 1.00 0.00 N ATOM 448 CA PHE A 29 42.664 46.633 50.610 1.00 0.00 C ATOM 449 C PHE A 29 41.482 46.078 49.752 1.00 0.00 C ATOM 450 O PHE A 29 40.696 46.849 49.205 1.00 0.00 O ATOM 451 CB PHE A 29 43.916 46.574 49.711 1.00 0.00 C ATOM 452 CG PHE A 29 45.169 47.222 50.279 1.00 0.00 C ATOM 453 CD1 PHE A 29 45.175 48.533 50.768 1.00 0.00 C ATOM 454 CD2 PHE A 29 46.388 46.536 50.240 1.00 0.00 C ATOM 455 CE1 PHE A 29 46.353 49.138 51.212 1.00 0.00 C ATOM 456 CE2 PHE A 29 47.575 47.126 50.676 1.00 0.00 C ATOM 457 CZ PHE A 29 47.563 48.436 51.165 1.00 0.00 C ATOM 0 H PHE A 29 43.660 45.364 51.968 1.00 0.00 H new ATOM 0 HA PHE A 29 42.520 47.664 50.932 1.00 0.00 H new ATOM 0 HB2 PHE A 29 44.136 45.529 49.495 1.00 0.00 H new ATOM 0 HB3 PHE A 29 43.681 47.053 48.761 1.00 0.00 H new ATOM 0 HD1 PHE A 29 44.250 49.089 50.803 1.00 0.00 H new ATOM 0 HD2 PHE A 29 46.411 45.524 49.863 1.00 0.00 H new ATOM 0 HE1 PHE A 29 46.330 50.149 51.592 1.00 0.00 H new ATOM 0 HE2 PHE A 29 48.501 46.572 50.636 1.00 0.00 H new ATOM 0 HZ PHE A 29 48.477 48.901 51.503 1.00 0.00 H new ATOM 467 N ASP A 30 41.418 44.707 49.606 1.00 0.00 N ATOM 468 CA ASP A 30 40.460 43.957 48.807 1.00 0.00 C ATOM 469 C ASP A 30 39.030 43.847 49.459 1.00 0.00 C ATOM 470 O ASP A 30 38.165 43.259 48.807 1.00 0.00 O ATOM 471 CB ASP A 30 41.038 42.595 48.343 1.00 0.00 C ATOM 472 CG ASP A 30 41.720 41.651 49.371 1.00 0.00 C ATOM 473 OD1 ASP A 30 42.153 42.176 50.397 1.00 0.00 O ATOM 474 OD2 ASP A 30 41.815 40.464 49.040 1.00 0.00 O ATOM 0 H ASP A 30 42.081 44.093 50.080 1.00 0.00 H new ATOM 0 HA ASP A 30 40.292 44.546 47.905 1.00 0.00 H new ATOM 0 HB2 ASP A 30 40.223 42.037 47.881 1.00 0.00 H new ATOM 0 HB3 ASP A 30 41.767 42.802 47.559 1.00 0.00 H new ATOM 479 N ASN A 31 38.709 44.426 50.688 1.00 0.00 N ATOM 480 CA ASN A 31 37.352 44.464 51.252 1.00 0.00 C ATOM 481 C ASN A 31 36.818 42.998 51.289 1.00 0.00 C ATOM 482 O ASN A 31 35.845 42.663 50.614 1.00 0.00 O ATOM 483 CB ASN A 31 36.444 45.477 50.550 1.00 0.00 C ATOM 484 CG ASN A 31 37.000 46.880 50.780 1.00 0.00 C ATOM 485 OD1 ASN A 31 36.978 47.429 51.867 1.00 0.00 O ATOM 486 ND2 ASN A 31 37.529 47.470 49.686 1.00 0.00 N ATOM 0 H ASN A 31 39.406 44.869 51.287 1.00 0.00 H new ATOM 0 HA ASN A 31 37.367 44.843 52.274 1.00 0.00 H new ATOM 0 HB2 ASN A 31 36.393 45.262 49.483 1.00 0.00 H new ATOM 0 HB3 ASN A 31 35.428 45.406 50.938 1.00 0.00 H new ATOM 0 HD21 ASN A 31 37.928 48.406 49.754 1.00 0.00 H new ATOM 0 HD22 ASN A 31 37.530 46.979 48.792 1.00 0.00 H new ATOM 493 N ILE A 32 37.450 42.132 52.169 1.00 0.00 N ATOM 494 CA ILE A 32 37.090 40.714 52.187 1.00 0.00 C ATOM 495 C ILE A 32 37.414 40.083 53.580 1.00 0.00 C ATOM 496 O ILE A 32 38.312 40.523 54.299 1.00 0.00 O ATOM 497 CB ILE A 32 37.819 39.899 51.077 1.00 0.00 C ATOM 498 CG1 ILE A 32 37.147 38.581 50.628 1.00 0.00 C ATOM 499 CG2 ILE A 32 39.280 39.584 51.466 1.00 0.00 C ATOM 500 CD1 ILE A 32 35.760 38.718 49.984 1.00 0.00 C ATOM 0 H ILE A 32 38.174 42.404 52.834 1.00 0.00 H new ATOM 0 HA ILE A 32 36.018 40.665 51.993 1.00 0.00 H new ATOM 0 HB ILE A 32 37.764 40.575 50.223 1.00 0.00 H new ATOM 0 HG12 ILE A 32 37.808 38.083 49.918 1.00 0.00 H new ATOM 0 HG13 ILE A 32 37.060 37.927 51.496 1.00 0.00 H new ATOM 0 HG21 ILE A 32 39.755 39.015 50.667 1.00 0.00 H new ATOM 0 HG22 ILE A 32 39.824 40.516 51.621 1.00 0.00 H new ATOM 0 HG23 ILE A 32 39.294 38.999 52.386 1.00 0.00 H new ATOM 0 HD11 ILE A 32 35.387 37.731 49.710 1.00 0.00 H new ATOM 0 HD12 ILE A 32 35.074 39.181 50.693 1.00 0.00 H new ATOM 0 HD13 ILE A 32 35.833 39.339 49.091 1.00 0.00 H new ATOM 512 N ILE A 33 36.654 38.980 53.943 1.00 0.00 N ATOM 513 CA ILE A 33 36.887 38.302 55.234 1.00 0.00 C ATOM 514 C ILE A 33 37.873 37.119 54.911 1.00 0.00 C ATOM 515 O ILE A 33 37.476 36.019 54.532 1.00 0.00 O ATOM 516 CB ILE A 33 35.640 37.875 56.027 1.00 0.00 C ATOM 517 CG1 ILE A 33 34.634 39.039 56.263 1.00 0.00 C ATOM 518 CG2 ILE A 33 36.084 37.200 57.340 1.00 0.00 C ATOM 519 CD1 ILE A 33 33.409 38.690 57.129 1.00 0.00 C ATOM 0 H ILE A 33 35.913 38.575 53.371 1.00 0.00 H new ATOM 0 HA ILE A 33 37.314 39.015 55.939 1.00 0.00 H new ATOM 0 HB ILE A 33 35.085 37.153 55.428 1.00 0.00 H new ATOM 0 HG12 ILE A 33 35.166 39.866 56.733 1.00 0.00 H new ATOM 0 HG13 ILE A 33 34.283 39.395 55.294 1.00 0.00 H new ATOM 0 HG21 ILE A 33 35.205 36.895 57.907 1.00 0.00 H new ATOM 0 HG22 ILE A 33 36.691 36.324 57.112 1.00 0.00 H new ATOM 0 HG23 ILE A 33 36.671 37.904 57.931 1.00 0.00 H new ATOM 0 HD11 ILE A 33 32.773 39.569 57.231 1.00 0.00 H new ATOM 0 HD12 ILE A 33 32.845 37.887 56.654 1.00 0.00 H new ATOM 0 HD13 ILE A 33 33.741 38.366 58.115 1.00 0.00 H new ATOM 531 N ARG A 34 39.223 37.383 55.070 1.00 0.00 N ATOM 532 CA ARG A 34 40.314 36.433 54.747 1.00 0.00 C ATOM 533 C ARG A 34 41.201 36.463 56.026 1.00 0.00 C ATOM 534 O ARG A 34 41.859 37.428 56.402 1.00 0.00 O ATOM 535 CB ARG A 34 41.057 36.840 53.475 1.00 0.00 C ATOM 536 CG ARG A 34 42.227 35.968 52.983 1.00 0.00 C ATOM 537 CD ARG A 34 42.610 36.361 51.538 1.00 0.00 C ATOM 538 NE ARG A 34 42.875 37.790 51.219 1.00 0.00 N ATOM 539 CZ ARG A 34 43.381 38.732 51.999 1.00 0.00 C ATOM 540 NH1 ARG A 34 44.007 38.448 53.109 1.00 0.00 N ATOM 541 NH2 ARG A 34 43.256 39.977 51.643 1.00 0.00 N ATOM 0 H ARG A 34 39.566 38.274 55.430 1.00 0.00 H new ATOM 0 HA ARG A 34 39.966 35.425 54.522 1.00 0.00 H new ATOM 0 HB2 ARG A 34 40.325 36.894 52.669 1.00 0.00 H new ATOM 0 HB3 ARG A 34 41.440 37.849 53.626 1.00 0.00 H new ATOM 0 HG2 ARG A 34 43.086 36.093 53.642 1.00 0.00 H new ATOM 0 HG3 ARG A 34 41.947 34.915 53.020 1.00 0.00 H new ATOM 0 HD2 ARG A 34 43.502 35.794 51.270 1.00 0.00 H new ATOM 0 HD3 ARG A 34 41.808 36.022 50.883 1.00 0.00 H new ATOM 0 HE ARG A 34 42.634 38.083 50.272 1.00 0.00 H new ATOM 0 HH11 ARG A 34 44.118 37.476 53.398 1.00 0.00 H new ATOM 0 HH12 ARG A 34 44.385 39.198 53.687 1.00 0.00 H new ATOM 0 HH21 ARG A 34 42.774 40.213 50.775 1.00 0.00 H new ATOM 0 HH22 ARG A 34 43.640 40.717 52.231 1.00 0.00 H new ATOM 555 N ARG A 35 41.150 35.265 56.715 1.00 0.00 N ATOM 556 CA ARG A 35 41.402 35.167 58.145 1.00 0.00 C ATOM 557 C ARG A 35 41.927 33.756 58.545 1.00 0.00 C ATOM 558 O ARG A 35 42.426 33.020 57.696 1.00 0.00 O ATOM 559 CB ARG A 35 40.063 35.527 58.836 1.00 0.00 C ATOM 560 CG ARG A 35 38.902 34.652 58.296 1.00 0.00 C ATOM 561 CD ARG A 35 37.660 34.382 59.145 1.00 0.00 C ATOM 562 NE ARG A 35 36.617 33.502 58.545 1.00 0.00 N ATOM 563 CZ ARG A 35 36.243 33.529 57.276 1.00 0.00 C ATOM 564 NH1 ARG A 35 37.096 33.293 56.316 1.00 0.00 N ATOM 565 NH2 ARG A 35 34.999 33.795 56.992 1.00 0.00 N ATOM 0 H ARG A 35 40.934 34.372 56.272 1.00 0.00 H new ATOM 0 HA ARG A 35 42.191 35.850 58.460 1.00 0.00 H new ATOM 0 HB2 ARG A 35 40.157 35.387 59.913 1.00 0.00 H new ATOM 0 HB3 ARG A 35 39.836 36.580 58.670 1.00 0.00 H new ATOM 0 HG2 ARG A 35 38.561 35.111 57.368 1.00 0.00 H new ATOM 0 HG3 ARG A 35 39.327 33.683 58.035 1.00 0.00 H new ATOM 0 HD2 ARG A 35 37.982 33.936 60.086 1.00 0.00 H new ATOM 0 HD3 ARG A 35 37.199 35.339 59.388 1.00 0.00 H new ATOM 0 HE ARG A 35 36.157 32.829 59.158 1.00 0.00 H new ATOM 0 HH11 ARG A 35 38.069 33.083 56.539 1.00 0.00 H new ATOM 0 HH12 ARG A 35 36.789 33.318 55.344 1.00 0.00 H new ATOM 0 HH21 ARG A 35 34.332 33.978 57.742 1.00 0.00 H new ATOM 0 HH22 ARG A 35 34.692 33.820 56.020 1.00 0.00 H new ATOM 579 N GLY A 36 41.853 33.402 59.888 1.00 0.00 N ATOM 580 CA GLY A 36 42.501 32.129 60.193 1.00 0.00 C ATOM 581 C GLY A 36 42.526 31.633 61.651 1.00 0.00 C ATOM 582 O GLY A 36 41.765 32.042 62.518 1.00 0.00 O ATOM 0 H GLY A 36 41.413 33.915 60.652 1.00 0.00 H new ATOM 0 HA2 GLY A 36 42.015 31.360 59.592 1.00 0.00 H new ATOM 0 HA3 GLY A 36 43.534 32.195 59.850 1.00 0.00 H new ATOM 586 N CYS A 37 43.455 30.629 61.830 1.00 0.00 N ATOM 587 CA CYS A 37 43.743 29.890 63.065 1.00 0.00 C ATOM 588 C CYS A 37 44.925 30.614 63.799 1.00 0.00 C ATOM 589 O CYS A 37 46.047 30.656 63.294 1.00 0.00 O ATOM 590 CB CYS A 37 44.157 28.463 62.687 1.00 0.00 C ATOM 591 SG CYS A 37 45.069 27.493 63.934 1.00 0.00 S ATOM 0 H CYS A 37 44.043 30.315 61.058 1.00 0.00 H new ATOM 0 HA CYS A 37 42.871 29.854 63.718 1.00 0.00 H new ATOM 0 HB2 CYS A 37 43.256 27.910 62.424 1.00 0.00 H new ATOM 0 HB3 CYS A 37 44.771 28.518 61.788 1.00 0.00 H new ATOM 596 N GLY A 38 44.658 31.286 64.998 1.00 0.00 N ATOM 597 CA GLY A 38 45.824 31.865 65.664 1.00 0.00 C ATOM 598 C GLY A 38 45.373 32.381 67.047 1.00 0.00 C ATOM 599 O GLY A 38 45.242 31.665 68.034 1.00 0.00 O ATOM 0 H GLY A 38 43.750 31.411 65.446 1.00 0.00 H new ATOM 0 HA2 GLY A 38 46.611 31.118 65.773 1.00 0.00 H new ATOM 0 HA3 GLY A 38 46.238 32.679 65.069 1.00 0.00 H new ATOM 603 N CYS A 39 45.094 33.732 67.065 1.00 0.00 N ATOM 604 CA CYS A 39 44.637 34.438 68.249 1.00 0.00 C ATOM 605 C CYS A 39 45.767 34.939 69.184 1.00 0.00 C ATOM 606 O CYS A 39 46.890 35.194 68.757 1.00 0.00 O ATOM 607 CB CYS A 39 43.799 35.637 67.786 1.00 0.00 C ATOM 608 SG CYS A 39 43.408 36.828 69.093 1.00 0.00 S ATOM 0 H CYS A 39 45.190 34.331 66.245 1.00 0.00 H new ATOM 0 HA CYS A 39 44.063 33.725 68.841 1.00 0.00 H new ATOM 0 HB2 CYS A 39 44.335 36.153 66.990 1.00 0.00 H new ATOM 0 HB3 CYS A 39 42.867 35.269 67.356 1.00 0.00 H new ATOM 613 N PHE A 40 45.386 35.127 70.503 1.00 0.00 N ATOM 614 CA PHE A 40 46.321 35.531 71.548 1.00 0.00 C ATOM 615 C PHE A 40 46.818 36.946 71.107 1.00 0.00 C ATOM 616 O PHE A 40 47.983 37.141 70.772 1.00 0.00 O ATOM 617 CB PHE A 40 47.411 34.477 71.848 1.00 0.00 C ATOM 618 CG PHE A 40 46.766 33.102 71.913 1.00 0.00 C ATOM 619 CD1 PHE A 40 45.776 32.793 72.856 1.00 0.00 C ATOM 620 CD2 PHE A 40 47.035 32.158 70.915 1.00 0.00 C ATOM 621 CE1 PHE A 40 45.083 31.587 72.806 1.00 0.00 C ATOM 622 CE2 PHE A 40 46.361 30.943 70.859 1.00 0.00 C ATOM 623 CZ PHE A 40 45.397 30.651 71.826 1.00 0.00 C ATOM 0 H PHE A 40 44.430 34.997 70.834 1.00 0.00 H new ATOM 0 HA PHE A 40 45.854 35.596 72.531 1.00 0.00 H new ATOM 0 HB2 PHE A 40 48.177 34.497 71.073 1.00 0.00 H new ATOM 0 HB3 PHE A 40 47.906 34.706 72.792 1.00 0.00 H new ATOM 0 HD1 PHE A 40 45.547 33.504 73.636 1.00 0.00 H new ATOM 0 HD2 PHE A 40 47.785 32.379 70.170 1.00 0.00 H new ATOM 0 HE1 PHE A 40 44.305 31.379 73.525 1.00 0.00 H new ATOM 0 HE2 PHE A 40 46.581 30.233 70.076 1.00 0.00 H new ATOM 0 HZ PHE A 40 44.894 29.696 71.813 1.00 0.00 H new ATOM 633 N THR A 41 45.873 37.962 71.178 1.00 0.00 N ATOM 634 CA THR A 41 46.130 39.362 70.771 1.00 0.00 C ATOM 635 C THR A 41 46.143 40.190 72.100 1.00 0.00 C ATOM 636 O THR A 41 45.132 40.783 72.484 1.00 0.00 O ATOM 637 CB THR A 41 45.067 39.883 69.773 1.00 0.00 C ATOM 638 OG1 THR A 41 43.724 39.841 70.267 1.00 0.00 O ATOM 639 CG2 THR A 41 45.403 41.241 69.142 1.00 0.00 C ATOM 0 H THR A 41 44.924 37.810 71.520 1.00 0.00 H new ATOM 0 HA THR A 41 47.077 39.451 70.238 1.00 0.00 H new ATOM 0 HB THR A 41 45.113 39.156 68.962 1.00 0.00 H new ATOM 0 HG1 THR A 41 43.327 38.969 70.061 1.00 0.00 H new ATOM 0 HG21 THR A 41 44.606 41.531 68.457 1.00 0.00 H new ATOM 0 HG22 THR A 41 45.499 41.993 69.926 1.00 0.00 H new ATOM 0 HG23 THR A 41 46.343 41.165 68.595 1.00 0.00 H new ATOM 647 N PRO A 42 47.318 40.208 72.846 1.00 0.00 N ATOM 648 CA PRO A 42 47.365 40.979 74.079 1.00 0.00 C ATOM 649 C PRO A 42 47.537 42.482 73.733 1.00 0.00 C ATOM 650 O PRO A 42 47.994 42.873 72.657 1.00 0.00 O ATOM 651 CB PRO A 42 48.616 40.447 74.800 1.00 0.00 C ATOM 652 CG PRO A 42 49.577 40.207 73.625 1.00 0.00 C ATOM 653 CD PRO A 42 48.634 39.634 72.554 1.00 0.00 C ATOM 0 HA PRO A 42 46.465 40.885 74.687 1.00 0.00 H new ATOM 0 HB2 PRO A 42 49.015 41.168 75.514 1.00 0.00 H new ATOM 0 HB3 PRO A 42 48.410 39.531 75.354 1.00 0.00 H new ATOM 0 HG2 PRO A 42 50.057 41.129 73.295 1.00 0.00 H new ATOM 0 HG3 PRO A 42 50.372 39.508 73.884 1.00 0.00 H new ATOM 0 HD2 PRO A 42 48.967 39.905 71.552 1.00 0.00 H new ATOM 0 HD3 PRO A 42 48.606 38.545 72.597 1.00 0.00 H new ATOM 661 N ARG A 43 47.173 43.354 74.747 1.00 0.00 N ATOM 662 CA ARG A 43 47.343 44.802 74.556 1.00 0.00 C ATOM 663 C ARG A 43 48.836 45.009 74.986 1.00 0.00 C ATOM 664 O ARG A 43 49.126 45.426 76.103 1.00 0.00 O ATOM 665 CB ARG A 43 46.326 45.651 75.361 1.00 0.00 C ATOM 666 CG ARG A 43 46.109 47.163 75.019 1.00 0.00 C ATOM 667 CD ARG A 43 47.237 48.107 74.519 1.00 0.00 C ATOM 668 NE ARG A 43 48.297 48.678 75.370 1.00 0.00 N ATOM 669 CZ ARG A 43 48.761 48.338 76.558 1.00 0.00 C ATOM 670 NH1 ARG A 43 48.006 47.750 77.443 1.00 0.00 N ATOM 671 NH2 ARG A 43 49.998 48.644 76.855 1.00 0.00 N ATOM 0 H ARG A 43 46.784 43.074 75.647 1.00 0.00 H new ATOM 0 HA ARG A 43 47.144 45.138 73.538 1.00 0.00 H new ATOM 0 HB2 ARG A 43 45.357 45.159 75.276 1.00 0.00 H new ATOM 0 HB3 ARG A 43 46.620 45.597 76.409 1.00 0.00 H new ATOM 0 HG2 ARG A 43 45.326 47.195 74.262 1.00 0.00 H new ATOM 0 HG3 ARG A 43 45.702 47.624 75.919 1.00 0.00 H new ATOM 0 HD2 ARG A 43 47.750 47.567 73.723 1.00 0.00 H new ATOM 0 HD3 ARG A 43 46.734 48.956 74.056 1.00 0.00 H new ATOM 0 HE ARG A 43 48.760 49.491 74.963 1.00 0.00 H new ATOM 0 HH11 ARG A 43 47.032 47.542 77.225 1.00 0.00 H new ATOM 0 HH12 ARG A 43 48.390 47.498 78.354 1.00 0.00 H new ATOM 0 HH21 ARG A 43 50.579 49.134 76.175 1.00 0.00 H new ATOM 0 HH22 ARG A 43 50.381 48.393 77.766 1.00 0.00 H new ATOM 685 N GLY A 44 49.814 44.674 74.056 1.00 0.00 N ATOM 686 CA GLY A 44 51.241 44.993 74.251 1.00 0.00 C ATOM 687 C GLY A 44 51.645 46.206 73.354 1.00 0.00 C ATOM 688 O GLY A 44 52.819 46.368 73.036 1.00 0.00 O ATOM 0 H GLY A 44 49.615 44.188 73.181 1.00 0.00 H new ATOM 0 HA2 GLY A 44 51.430 45.226 75.299 1.00 0.00 H new ATOM 0 HA3 GLY A 44 51.853 44.126 74.002 1.00 0.00 H new ATOM 692 N ASP A 45 50.627 47.051 72.950 1.00 0.00 N ATOM 693 CA ASP A 45 50.706 48.197 72.047 1.00 0.00 C ATOM 694 C ASP A 45 51.071 47.679 70.606 1.00 0.00 C ATOM 695 O ASP A 45 51.803 48.324 69.860 1.00 0.00 O ATOM 696 CB ASP A 45 51.525 49.414 72.552 1.00 0.00 C ATOM 697 CG ASP A 45 50.945 49.881 73.913 1.00 0.00 C ATOM 698 OD1 ASP A 45 49.800 50.344 73.839 1.00 0.00 O ATOM 699 OD2 ASP A 45 51.618 49.670 74.924 1.00 0.00 O ATOM 0 H ASP A 45 49.675 46.913 73.288 1.00 0.00 H new ATOM 0 HA ASP A 45 49.719 48.657 72.008 1.00 0.00 H new ATOM 0 HB2 ASP A 45 52.575 49.142 72.663 1.00 0.00 H new ATOM 0 HB3 ASP A 45 51.481 50.225 71.825 1.00 0.00 H new ATOM 704 N MET A 46 50.436 46.514 70.199 1.00 0.00 N ATOM 705 CA MET A 46 50.613 45.862 68.889 1.00 0.00 C ATOM 706 C MET A 46 49.159 45.513 68.368 1.00 0.00 C ATOM 707 O MET A 46 48.408 44.809 69.044 1.00 0.00 O ATOM 708 CB MET A 46 51.414 44.539 68.942 1.00 0.00 C ATOM 709 CG MET A 46 52.881 44.689 69.393 1.00 0.00 C ATOM 710 SD MET A 46 53.658 43.083 69.769 1.00 0.00 S ATOM 711 CE MET A 46 52.676 42.590 71.223 1.00 0.00 C ATOM 0 H MET A 46 49.782 46.015 70.802 1.00 0.00 H new ATOM 0 HA MET A 46 51.174 46.544 68.249 1.00 0.00 H new ATOM 0 HB2 MET A 46 50.909 43.852 69.620 1.00 0.00 H new ATOM 0 HB3 MET A 46 51.398 44.081 67.953 1.00 0.00 H new ATOM 0 HG2 MET A 46 53.450 45.191 68.610 1.00 0.00 H new ATOM 0 HG3 MET A 46 52.924 45.326 70.276 1.00 0.00 H new ATOM 0 HE1 MET A 46 53.256 41.902 71.838 1.00 0.00 H new ATOM 0 HE2 MET A 46 52.423 43.474 71.808 1.00 0.00 H new ATOM 0 HE3 MET A 46 51.760 42.098 70.894 1.00 0.00 H new ATOM 721 N PRO A 47 48.778 45.946 67.095 1.00 0.00 N ATOM 722 CA PRO A 47 47.443 45.620 66.557 1.00 0.00 C ATOM 723 C PRO A 47 47.201 44.118 66.193 1.00 0.00 C ATOM 724 O PRO A 47 48.111 43.292 66.219 1.00 0.00 O ATOM 725 CB PRO A 47 47.335 46.453 65.262 1.00 0.00 C ATOM 726 CG PRO A 47 48.181 47.696 65.575 1.00 0.00 C ATOM 727 CD PRO A 47 49.329 47.120 66.412 1.00 0.00 C ATOM 0 HA PRO A 47 46.703 45.837 67.327 1.00 0.00 H new ATOM 0 HB2 PRO A 47 47.721 45.909 64.400 1.00 0.00 H new ATOM 0 HB3 PRO A 47 46.301 46.715 65.037 1.00 0.00 H new ATOM 0 HG2 PRO A 47 48.544 48.178 64.667 1.00 0.00 H new ATOM 0 HG3 PRO A 47 47.613 48.444 66.128 1.00 0.00 H new ATOM 0 HD2 PRO A 47 50.173 46.844 65.780 1.00 0.00 H new ATOM 0 HD3 PRO A 47 49.695 47.854 67.130 1.00 0.00 H new ATOM 735 N GLY A 48 45.904 43.801 65.808 1.00 0.00 N ATOM 736 CA GLY A 48 45.595 42.421 65.438 1.00 0.00 C ATOM 737 C GLY A 48 44.125 42.223 64.987 1.00 0.00 C ATOM 738 O GLY A 48 43.302 43.127 65.115 1.00 0.00 O ATOM 0 H GLY A 48 45.125 44.458 65.758 1.00 0.00 H new ATOM 0 HA2 GLY A 48 46.260 42.110 64.632 1.00 0.00 H new ATOM 0 HA3 GLY A 48 45.798 41.770 66.288 1.00 0.00 H new ATOM 742 N PRO A 49 43.807 40.977 64.461 1.00 0.00 N ATOM 743 CA PRO A 49 42.412 40.628 64.147 1.00 0.00 C ATOM 744 C PRO A 49 41.534 40.583 65.438 1.00 0.00 C ATOM 745 O PRO A 49 42.031 40.653 66.561 1.00 0.00 O ATOM 746 CB PRO A 49 42.509 39.212 63.550 1.00 0.00 C ATOM 747 CG PRO A 49 43.726 38.630 64.274 1.00 0.00 C ATOM 748 CD PRO A 49 44.682 39.823 64.248 1.00 0.00 C ATOM 0 HA PRO A 49 41.952 41.357 63.479 1.00 0.00 H new ATOM 0 HB2 PRO A 49 41.607 38.629 63.739 1.00 0.00 H new ATOM 0 HB3 PRO A 49 42.653 39.236 62.470 1.00 0.00 H new ATOM 0 HG2 PRO A 49 43.489 38.314 65.290 1.00 0.00 H new ATOM 0 HG3 PRO A 49 44.136 37.762 63.758 1.00 0.00 H new ATOM 0 HD2 PRO A 49 45.439 39.746 65.028 1.00 0.00 H new ATOM 0 HD3 PRO A 49 45.210 39.892 63.297 1.00 0.00 H new ATOM 756 N TYR A 50 40.168 40.445 65.229 1.00 0.00 N ATOM 757 CA TYR A 50 39.239 40.376 66.374 1.00 0.00 C ATOM 758 C TYR A 50 38.938 38.853 66.628 1.00 0.00 C ATOM 759 O TYR A 50 38.581 38.082 65.734 1.00 0.00 O ATOM 760 CB TYR A 50 37.954 41.277 66.293 1.00 0.00 C ATOM 761 CG TYR A 50 36.806 40.675 65.520 1.00 0.00 C ATOM 762 CD1 TYR A 50 36.660 40.853 64.148 1.00 0.00 C ATOM 763 CD2 TYR A 50 35.821 39.947 66.186 1.00 0.00 C ATOM 764 CE1 TYR A 50 35.580 40.317 63.464 1.00 0.00 C ATOM 765 CE2 TYR A 50 34.740 39.391 65.520 1.00 0.00 C ATOM 766 CZ TYR A 50 34.604 39.565 64.140 1.00 0.00 C ATOM 767 OH TYR A 50 33.572 39.024 63.427 1.00 0.00 O ATOM 0 H TYR A 50 39.726 40.384 64.312 1.00 0.00 H new ATOM 0 HA TYR A 50 39.731 40.827 67.236 1.00 0.00 H new ATOM 0 HB2 TYR A 50 37.616 41.496 67.306 1.00 0.00 H new ATOM 0 HB3 TYR A 50 38.223 42.229 65.834 1.00 0.00 H new ATOM 0 HD1 TYR A 50 37.402 41.420 63.605 1.00 0.00 H new ATOM 0 HD2 TYR A 50 35.903 39.812 67.254 1.00 0.00 H new ATOM 0 HE1 TYR A 50 35.488 40.479 62.400 1.00 0.00 H new ATOM 0 HE2 TYR A 50 34.003 38.823 66.068 1.00 0.00 H new ATOM 0 HH TYR A 50 32.979 38.531 64.032 1.00 0.00 H new ATOM 777 N CYS A 51 39.118 38.418 67.938 1.00 0.00 N ATOM 778 CA CYS A 51 39.258 36.982 68.239 1.00 0.00 C ATOM 779 C CYS A 51 38.221 36.344 69.211 1.00 0.00 C ATOM 780 O CYS A 51 37.487 37.023 69.923 1.00 0.00 O ATOM 781 CB CYS A 51 40.649 36.805 68.860 1.00 0.00 C ATOM 782 SG CYS A 51 41.947 37.724 67.978 1.00 0.00 S ATOM 0 H CYS A 51 39.164 39.034 68.750 1.00 0.00 H new ATOM 0 HA CYS A 51 39.090 36.467 67.293 1.00 0.00 H new ATOM 0 HB2 CYS A 51 40.621 37.134 69.899 1.00 0.00 H new ATOM 0 HB3 CYS A 51 40.904 35.745 68.868 1.00 0.00 H new ATOM 787 N CYS A 52 38.255 34.958 69.227 1.00 0.00 N ATOM 788 CA CYS A 52 37.295 34.172 69.980 1.00 0.00 C ATOM 789 C CYS A 52 37.831 32.731 70.290 1.00 0.00 C ATOM 790 O CYS A 52 38.684 32.210 69.571 1.00 0.00 O ATOM 791 CB CYS A 52 36.043 34.043 69.135 1.00 0.00 C ATOM 792 SG CYS A 52 34.542 33.630 70.053 1.00 0.00 S ATOM 0 H CYS A 52 38.944 34.403 68.720 1.00 0.00 H new ATOM 0 HA CYS A 52 37.103 34.672 70.930 1.00 0.00 H new ATOM 0 HB2 CYS A 52 35.881 34.982 68.607 1.00 0.00 H new ATOM 0 HB3 CYS A 52 36.211 33.277 68.378 1.00 0.00 H new ATOM 797 N GLU A 53 37.247 32.064 71.353 1.00 0.00 N ATOM 798 CA GLU A 53 37.689 30.709 71.762 1.00 0.00 C ATOM 799 C GLU A 53 36.498 29.695 71.677 1.00 0.00 C ATOM 800 O GLU A 53 36.288 28.883 72.575 1.00 0.00 O ATOM 801 CB GLU A 53 38.474 30.701 73.094 1.00 0.00 C ATOM 802 CG GLU A 53 37.774 31.217 74.369 1.00 0.00 C ATOM 803 CD GLU A 53 38.735 31.120 75.557 1.00 0.00 C ATOM 804 OE1 GLU A 53 39.317 30.114 75.920 1.00 0.00 O ATOM 805 OE2 GLU A 53 38.862 32.288 76.185 1.00 0.00 O ATOM 0 H GLU A 53 36.489 32.447 71.918 1.00 0.00 H new ATOM 0 HA GLU A 53 38.431 30.357 71.046 1.00 0.00 H new ATOM 0 HB2 GLU A 53 38.793 29.676 73.284 1.00 0.00 H new ATOM 0 HB3 GLU A 53 39.377 31.294 72.949 1.00 0.00 H new ATOM 0 HG2 GLU A 53 37.456 32.250 74.229 1.00 0.00 H new ATOM 0 HG3 GLU A 53 36.876 30.631 74.566 1.00 0.00 H new ATOM 813 N SER A 54 35.778 29.695 70.494 1.00 0.00 N ATOM 814 CA SER A 54 34.662 28.775 70.213 1.00 0.00 C ATOM 815 C SER A 54 34.665 28.348 68.697 1.00 0.00 C ATOM 816 O SER A 54 35.408 28.918 67.900 1.00 0.00 O ATOM 817 CB SER A 54 33.285 29.298 70.664 1.00 0.00 C ATOM 818 OG SER A 54 32.902 30.483 69.975 1.00 0.00 O ATOM 0 H SER A 54 35.974 30.339 69.728 1.00 0.00 H new ATOM 0 HA SER A 54 34.834 27.890 70.825 1.00 0.00 H new ATOM 0 HB2 SER A 54 32.534 28.526 70.498 1.00 0.00 H new ATOM 0 HB3 SER A 54 33.308 29.495 71.736 1.00 0.00 H new ATOM 0 HG SER A 54 33.536 31.201 70.181 1.00 0.00 H new ATOM 824 N ASP A 55 33.864 27.269 68.322 1.00 0.00 N ATOM 825 CA ASP A 55 33.997 26.695 66.962 1.00 0.00 C ATOM 826 C ASP A 55 33.342 27.678 65.921 1.00 0.00 C ATOM 827 O ASP A 55 32.156 27.994 65.987 1.00 0.00 O ATOM 828 CB ASP A 55 33.388 25.285 66.831 1.00 0.00 C ATOM 829 CG ASP A 55 33.793 24.606 65.495 1.00 0.00 C ATOM 830 OD1 ASP A 55 34.923 24.879 65.081 1.00 0.00 O ATOM 831 OD2 ASP A 55 32.944 23.863 64.998 1.00 0.00 O ATOM 0 H ASP A 55 33.169 26.821 68.919 1.00 0.00 H new ATOM 0 HA ASP A 55 35.062 26.580 66.759 1.00 0.00 H new ATOM 0 HB2 ASP A 55 33.717 24.668 67.667 1.00 0.00 H new ATOM 0 HB3 ASP A 55 32.302 25.351 66.891 1.00 0.00 H new ATOM 836 N LYS A 56 34.183 28.187 64.924 1.00 0.00 N ATOM 837 CA LYS A 56 33.893 29.263 63.981 1.00 0.00 C ATOM 838 C LYS A 56 33.804 30.601 64.788 1.00 0.00 C ATOM 839 O LYS A 56 34.522 31.553 64.479 1.00 0.00 O ATOM 840 CB LYS A 56 32.729 29.134 62.979 1.00 0.00 C ATOM 841 CG LYS A 56 32.928 28.016 61.934 1.00 0.00 C ATOM 842 CD LYS A 56 32.742 26.540 62.340 1.00 0.00 C ATOM 843 CE LYS A 56 31.349 26.119 62.813 1.00 0.00 C ATOM 844 NZ LYS A 56 31.438 24.654 63.274 1.00 0.00 N ATOM 0 H LYS A 56 35.120 27.809 64.785 1.00 0.00 H new ATOM 0 HA LYS A 56 34.729 29.216 63.284 1.00 0.00 H new ATOM 0 HB2 LYS A 56 31.807 28.944 63.529 1.00 0.00 H new ATOM 0 HB3 LYS A 56 32.601 30.084 62.461 1.00 0.00 H new ATOM 0 HG2 LYS A 56 32.241 28.215 61.111 1.00 0.00 H new ATOM 0 HG3 LYS A 56 33.938 28.119 61.538 1.00 0.00 H new ATOM 0 HD2 LYS A 56 33.012 25.918 61.487 1.00 0.00 H new ATOM 0 HD3 LYS A 56 33.452 26.316 63.136 1.00 0.00 H new ATOM 0 HE2 LYS A 56 31.013 26.758 63.630 1.00 0.00 H new ATOM 0 HE3 LYS A 56 30.623 26.223 62.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 30.485 24.238 63.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 32.035 24.118 62.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 31.854 24.614 64.226 1.00 0.00 H new ATOM 858 N CYS A 57 32.872 30.653 65.809 1.00 0.00 N ATOM 859 CA CYS A 57 32.580 31.745 66.736 1.00 0.00 C ATOM 860 C CYS A 57 31.655 32.761 66.022 1.00 0.00 C ATOM 861 O CYS A 57 30.639 33.153 66.594 1.00 0.00 O ATOM 862 CB CYS A 57 33.781 32.415 67.411 1.00 0.00 C ATOM 863 SG CYS A 57 33.307 33.856 68.424 1.00 0.00 S ATOM 0 H CYS A 57 32.272 29.850 65.994 1.00 0.00 H new ATOM 0 HA CYS A 57 32.076 31.293 67.590 1.00 0.00 H new ATOM 0 HB2 CYS A 57 34.292 31.686 68.040 1.00 0.00 H new ATOM 0 HB3 CYS A 57 34.492 32.731 66.648 1.00 0.00 H new ATOM 868 N ASN A 58 32.041 33.217 64.771 1.00 0.00 N ATOM 869 CA ASN A 58 31.123 33.991 63.939 1.00 0.00 C ATOM 870 C ASN A 58 31.072 33.159 62.607 1.00 0.00 C ATOM 871 O ASN A 58 30.300 32.212 62.465 1.00 0.00 O ATOM 872 CB ASN A 58 31.469 35.475 63.732 1.00 0.00 C ATOM 873 CG ASN A 58 31.658 36.198 65.060 1.00 0.00 C ATOM 874 OD1 ASN A 58 32.692 36.131 65.702 1.00 0.00 O ATOM 875 ND2 ASN A 58 30.611 36.951 65.459 1.00 0.00 N ATOM 0 H ASN A 58 32.958 33.052 64.356 1.00 0.00 H new ATOM 0 HA ASN A 58 30.154 34.102 64.426 1.00 0.00 H new ATOM 0 HB2 ASN A 58 32.380 35.557 63.139 1.00 0.00 H new ATOM 0 HB3 ASN A 58 30.674 35.959 63.164 1.00 0.00 H new ATOM 0 HD21 ASN A 58 30.670 37.488 66.324 1.00 0.00 H new ATOM 0 HD22 ASN A 58 29.761 36.983 64.895 1.00 0.00 H new ATOM 882 N LEU A 59 31.966 33.538 61.624 1.00 0.00 N ATOM 883 CA LEU A 59 32.020 32.961 60.285 1.00 0.00 C ATOM 884 C LEU A 59 33.415 33.483 59.756 1.00 0.00 C ATOM 885 O LEU A 59 34.394 32.788 60.064 1.00 0.00 O ATOM 886 CB LEU A 59 30.727 33.283 59.498 1.00 0.00 C ATOM 887 CG LEU A 59 30.741 33.298 57.949 1.00 0.00 C ATOM 888 CD1 LEU A 59 31.400 32.087 57.282 1.00 0.00 C ATOM 889 CD2 LEU A 59 29.283 33.406 57.468 1.00 0.00 C ATOM 890 OXT LEU A 59 33.422 34.531 59.102 1.00 0.00 O ATOM 0 H LEU A 59 32.666 34.265 61.773 1.00 0.00 H new ATOM 0 HA LEU A 59 32.008 31.875 60.198 1.00 0.00 H new ATOM 0 HB2 LEU A 59 29.972 32.560 59.807 1.00 0.00 H new ATOM 0 HB3 LEU A 59 30.384 34.264 59.828 1.00 0.00 H new ATOM 0 HG LEU A 59 31.355 34.150 57.655 1.00 0.00 H new ATOM 0 HD11 LEU A 59 31.355 32.199 56.199 1.00 0.00 H new ATOM 0 HD12 LEU A 59 32.441 32.020 57.597 1.00 0.00 H new ATOM 0 HD13 LEU A 59 30.873 31.179 57.575 1.00 0.00 H new ATOM 0 HD21 LEU A 59 29.259 33.419 56.378 1.00 0.00 H new ATOM 0 HD22 LEU A 59 28.715 32.550 57.833 1.00 0.00 H new ATOM 0 HD23 LEU A 59 28.841 34.325 57.851 1.00 0.00 H new TER 902 LEU A 59