USER MOD reduce.3.24.130724 H: found=0, std=0, add=618, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 616 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 3 GLN : amide:sc= -0.742 K(o=-0.74,f=-4!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 GLN : amide:sc= -0.44 K(o=-0.44,f=-3.5!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 CYS SG : rot 180:sc= 0.0999 USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 CYS SG : rot 180:sc= -0.115 USER MOD Single : A 14 HIS : no HE2:sc= -4.84 K(o=-4.8,f=-6.1!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ -159:sc= -0.383 (180deg=-0.805) USER MOD Single : A 25 TYR OH : rot 90:sc= -2.56! USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ -163:sc= 0.368 (180deg=0.239) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 175:sc= 0.031 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 MET CE :methyl 155:sc= 0 (180deg=-1.05) USER MOD Single : A 62 GLN : amide:sc= -2.71! C(o=-2.7!,f=-4.8!) USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.00626 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= -3.56! C(o=-3.6!,f=-7.2!) USER MOD Single : A 74 GLN : amide:sc= -1.4 X(o=-1.4,f=-1) USER MOD Single : A 78 SER OG : rot 103:sc= 1.23 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 17 N GLU A 2 63.332 -9.240 7.714 1.00 0.00 N ATOM 18 CA GLU A 2 62.567 -8.109 8.308 1.00 0.00 C ATOM 19 C GLU A 2 63.142 -7.764 9.684 1.00 0.00 C ATOM 20 O GLU A 2 63.322 -6.611 10.020 1.00 0.00 O ATOM 21 CB GLU A 2 61.099 -8.513 8.456 1.00 0.00 C ATOM 22 CG GLU A 2 60.216 -7.265 8.398 1.00 0.00 C ATOM 23 CD GLU A 2 58.786 -7.667 8.038 1.00 0.00 C ATOM 24 OE1 GLU A 2 58.418 -8.795 8.321 1.00 0.00 O ATOM 25 OE2 GLU A 2 58.081 -6.839 7.485 1.00 0.00 O ATOM 0 HA GLU A 2 62.644 -7.238 7.657 1.00 0.00 H new ATOM 0 HB2 GLU A 2 60.820 -9.206 7.662 1.00 0.00 H new ATOM 0 HB3 GLU A 2 60.948 -9.034 9.401 1.00 0.00 H new ATOM 0 HG2 GLU A 2 60.229 -6.752 9.360 1.00 0.00 H new ATOM 0 HG3 GLU A 2 60.605 -6.565 7.658 1.00 0.00 H new ATOM 32 N GLN A 3 63.425 -8.755 10.486 1.00 0.00 N ATOM 33 CA GLN A 3 63.980 -8.485 11.841 1.00 0.00 C ATOM 34 C GLN A 3 65.298 -7.716 11.724 1.00 0.00 C ATOM 35 O GLN A 3 65.602 -6.862 12.533 1.00 0.00 O ATOM 36 CB GLN A 3 64.224 -9.810 12.567 1.00 0.00 C ATOM 37 CG GLN A 3 64.839 -10.822 11.597 1.00 0.00 C ATOM 38 CD GLN A 3 63.813 -11.910 11.276 1.00 0.00 C ATOM 39 OE1 GLN A 3 62.755 -11.960 11.872 1.00 0.00 O ATOM 40 NE2 GLN A 3 64.082 -12.793 10.352 1.00 0.00 N ATOM 0 H GLN A 3 63.295 -9.741 10.260 1.00 0.00 H new ATOM 0 HA GLN A 3 63.266 -7.885 12.405 1.00 0.00 H new ATOM 0 HB2 GLN A 3 64.890 -9.654 13.416 1.00 0.00 H new ATOM 0 HB3 GLN A 3 63.286 -10.196 12.965 1.00 0.00 H new ATOM 0 HG2 GLN A 3 65.151 -10.320 10.681 1.00 0.00 H new ATOM 0 HG3 GLN A 3 65.731 -11.267 12.037 1.00 0.00 H new ATOM 0 HE21 GLN A 3 64.969 -12.753 9.851 1.00 0.00 H new ATOM 0 HE22 GLN A 3 63.405 -13.523 10.132 1.00 0.00 H new ATOM 49 N LEU A 4 66.088 -8.015 10.731 1.00 0.00 N ATOM 50 CA LEU A 4 67.387 -7.302 10.574 1.00 0.00 C ATOM 51 C LEU A 4 67.139 -5.890 10.035 1.00 0.00 C ATOM 52 O LEU A 4 67.969 -5.012 10.165 1.00 0.00 O ATOM 53 CB LEU A 4 68.279 -8.072 9.599 1.00 0.00 C ATOM 54 CG LEU A 4 67.723 -7.937 8.181 1.00 0.00 C ATOM 55 CD1 LEU A 4 68.580 -6.948 7.387 1.00 0.00 C ATOM 56 CD2 LEU A 4 67.749 -9.303 7.490 1.00 0.00 C ATOM 0 H LEU A 4 65.891 -8.721 10.022 1.00 0.00 H new ATOM 0 HA LEU A 4 67.881 -7.236 11.543 1.00 0.00 H new ATOM 0 HB2 LEU A 4 69.298 -7.686 9.640 1.00 0.00 H new ATOM 0 HB3 LEU A 4 68.325 -9.123 9.884 1.00 0.00 H new ATOM 0 HG LEU A 4 66.697 -7.572 8.228 1.00 0.00 H new ATOM 0 HD11 LEU A 4 68.183 -6.852 6.376 1.00 0.00 H new ATOM 0 HD12 LEU A 4 68.562 -5.975 7.878 1.00 0.00 H new ATOM 0 HD13 LEU A 4 69.607 -7.312 7.341 1.00 0.00 H new ATOM 0 HD21 LEU A 4 67.353 -9.207 6.479 1.00 0.00 H new ATOM 0 HD22 LEU A 4 68.775 -9.668 7.444 1.00 0.00 H new ATOM 0 HD23 LEU A 4 67.138 -10.008 8.054 1.00 0.00 H new ATOM 68 N ALA A 5 66.005 -5.664 9.434 1.00 0.00 N ATOM 69 CA ALA A 5 65.707 -4.309 8.890 1.00 0.00 C ATOM 70 C ALA A 5 64.752 -3.577 9.836 1.00 0.00 C ATOM 71 O ALA A 5 64.321 -2.473 9.567 1.00 0.00 O ATOM 72 CB ALA A 5 65.059 -4.444 7.510 1.00 0.00 C ATOM 0 H ALA A 5 65.271 -6.359 9.296 1.00 0.00 H new ATOM 0 HA ALA A 5 66.633 -3.741 8.801 1.00 0.00 H new ATOM 0 HB1 ALA A 5 64.841 -3.453 7.112 1.00 0.00 H new ATOM 0 HB2 ALA A 5 65.741 -4.963 6.837 1.00 0.00 H new ATOM 0 HB3 ALA A 5 64.133 -5.012 7.597 1.00 0.00 H new ATOM 78 N LYS A 6 64.418 -4.183 10.942 1.00 0.00 N ATOM 79 CA LYS A 6 63.493 -3.523 11.905 1.00 0.00 C ATOM 80 C LYS A 6 64.305 -2.675 12.886 1.00 0.00 C ATOM 81 O LYS A 6 64.315 -1.462 12.812 1.00 0.00 O ATOM 82 CB LYS A 6 62.716 -4.595 12.673 1.00 0.00 C ATOM 83 CG LYS A 6 61.865 -3.935 13.758 1.00 0.00 C ATOM 84 CD LYS A 6 61.245 -5.015 14.647 1.00 0.00 C ATOM 85 CE LYS A 6 60.908 -4.422 16.016 1.00 0.00 C ATOM 86 NZ LYS A 6 59.469 -4.661 16.321 1.00 0.00 N ATOM 0 H LYS A 6 64.746 -5.108 11.220 1.00 0.00 H new ATOM 0 HA LYS A 6 62.794 -2.883 11.366 1.00 0.00 H new ATOM 0 HB2 LYS A 6 62.080 -5.157 11.989 1.00 0.00 H new ATOM 0 HB3 LYS A 6 63.408 -5.307 13.123 1.00 0.00 H new ATOM 0 HG2 LYS A 6 62.479 -3.263 14.358 1.00 0.00 H new ATOM 0 HG3 LYS A 6 61.081 -3.330 13.303 1.00 0.00 H new ATOM 0 HD2 LYS A 6 60.344 -5.412 14.180 1.00 0.00 H new ATOM 0 HD3 LYS A 6 61.938 -5.848 14.761 1.00 0.00 H new ATOM 0 HE2 LYS A 6 61.534 -4.876 16.785 1.00 0.00 H new ATOM 0 HE3 LYS A 6 61.119 -3.353 16.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 59.240 -4.258 17.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 58.880 -4.208 15.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 59.282 -5.684 16.331 1.00 0.00 H new ATOM 100 N GLN A 7 64.986 -3.303 13.806 1.00 0.00 N ATOM 101 CA GLN A 7 65.795 -2.534 14.789 1.00 0.00 C ATOM 102 C GLN A 7 66.960 -1.849 14.070 1.00 0.00 C ATOM 103 O GLN A 7 67.649 -1.023 14.634 1.00 0.00 O ATOM 104 CB GLN A 7 66.343 -3.484 15.857 1.00 0.00 C ATOM 105 CG GLN A 7 65.337 -3.596 17.005 1.00 0.00 C ATOM 106 CD GLN A 7 66.007 -3.185 18.318 1.00 0.00 C ATOM 107 OE1 GLN A 7 67.101 -2.654 18.316 1.00 0.00 O ATOM 108 NE2 GLN A 7 65.393 -3.409 19.446 1.00 0.00 N ATOM 0 H GLN A 7 65.016 -4.316 13.918 1.00 0.00 H new ATOM 0 HA GLN A 7 65.166 -1.780 15.262 1.00 0.00 H new ATOM 0 HB2 GLN A 7 66.528 -4.467 15.424 1.00 0.00 H new ATOM 0 HB3 GLN A 7 67.298 -3.116 16.231 1.00 0.00 H new ATOM 0 HG2 GLN A 7 64.475 -2.958 16.810 1.00 0.00 H new ATOM 0 HG3 GLN A 7 64.967 -4.618 17.079 1.00 0.00 H new ATOM 0 HE21 GLN A 7 64.475 -3.854 19.447 1.00 0.00 H new ATOM 0 HE22 GLN A 7 65.830 -3.139 20.327 1.00 0.00 H new ATOM 117 N LYS A 8 67.186 -2.185 12.829 1.00 0.00 N ATOM 118 CA LYS A 8 68.307 -1.550 12.078 1.00 0.00 C ATOM 119 C LYS A 8 68.047 -0.048 11.954 1.00 0.00 C ATOM 120 O LYS A 8 68.928 0.764 12.153 1.00 0.00 O ATOM 121 CB LYS A 8 68.400 -2.169 10.682 1.00 0.00 C ATOM 122 CG LYS A 8 69.746 -2.882 10.526 1.00 0.00 C ATOM 123 CD LYS A 8 70.856 -1.845 10.341 1.00 0.00 C ATOM 124 CE LYS A 8 72.191 -2.560 10.128 1.00 0.00 C ATOM 125 NZ LYS A 8 73.159 -1.625 9.488 1.00 0.00 N ATOM 0 H LYS A 8 66.644 -2.871 12.303 1.00 0.00 H new ATOM 0 HA LYS A 8 69.243 -1.715 12.611 1.00 0.00 H new ATOM 0 HB2 LYS A 8 67.583 -2.875 10.531 1.00 0.00 H new ATOM 0 HB3 LYS A 8 68.297 -1.395 9.922 1.00 0.00 H new ATOM 0 HG2 LYS A 8 69.949 -3.494 11.405 1.00 0.00 H new ATOM 0 HG3 LYS A 8 69.716 -3.555 9.669 1.00 0.00 H new ATOM 0 HD2 LYS A 8 70.633 -1.206 9.486 1.00 0.00 H new ATOM 0 HD3 LYS A 8 70.913 -1.198 11.216 1.00 0.00 H new ATOM 0 HE2 LYS A 8 72.584 -2.910 11.082 1.00 0.00 H new ATOM 0 HE3 LYS A 8 72.049 -3.439 9.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 74.067 -2.111 9.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 72.784 -1.311 8.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 73.303 -0.799 10.104 1.00 0.00 H new ATOM 139 N GLY A 9 66.840 0.328 11.626 1.00 0.00 N ATOM 140 CA GLY A 9 66.524 1.777 11.489 1.00 0.00 C ATOM 141 C GLY A 9 65.858 2.027 10.135 1.00 0.00 C ATOM 142 O GLY A 9 65.223 3.041 9.922 1.00 0.00 O ATOM 0 H GLY A 9 66.061 -0.306 11.447 1.00 0.00 H new ATOM 0 HA2 GLY A 9 65.863 2.094 12.296 1.00 0.00 H new ATOM 0 HA3 GLY A 9 67.436 2.369 11.573 1.00 0.00 H new ATOM 146 N CYS A 10 65.999 1.110 9.218 1.00 0.00 N ATOM 147 CA CYS A 10 65.374 1.296 7.879 1.00 0.00 C ATOM 148 C CYS A 10 63.853 1.361 8.034 1.00 0.00 C ATOM 149 O CYS A 10 63.175 2.064 7.311 1.00 0.00 O ATOM 150 CB CYS A 10 65.744 0.122 6.966 1.00 0.00 C ATOM 151 SG CYS A 10 67.493 -0.298 7.184 1.00 0.00 S ATOM 0 H CYS A 10 66.519 0.241 9.338 1.00 0.00 H new ATOM 0 HA CYS A 10 65.738 2.223 7.437 1.00 0.00 H new ATOM 0 HB2 CYS A 10 65.121 -0.742 7.199 1.00 0.00 H new ATOM 0 HB3 CYS A 10 65.550 0.383 5.926 1.00 0.00 H new ATOM 0 HG CYS A 10 67.800 -1.296 6.409 1.00 0.00 H new ATOM 156 N MET A 11 63.312 0.634 8.973 1.00 0.00 N ATOM 157 CA MET A 11 61.835 0.656 9.175 1.00 0.00 C ATOM 158 C MET A 11 61.442 1.936 9.916 1.00 0.00 C ATOM 159 O MET A 11 60.287 2.312 9.953 1.00 0.00 O ATOM 160 CB MET A 11 61.415 -0.561 10.003 1.00 0.00 C ATOM 161 CG MET A 11 61.036 -1.712 9.068 1.00 0.00 C ATOM 162 SD MET A 11 59.331 -2.220 9.399 1.00 0.00 S ATOM 163 CE MET A 11 58.920 -2.757 7.721 1.00 0.00 C ATOM 0 H MET A 11 63.828 0.026 9.609 1.00 0.00 H new ATOM 0 HA MET A 11 61.335 0.627 8.207 1.00 0.00 H new ATOM 0 HB2 MET A 11 62.230 -0.866 10.659 1.00 0.00 H new ATOM 0 HB3 MET A 11 60.570 -0.305 10.642 1.00 0.00 H new ATOM 0 HG2 MET A 11 61.139 -1.400 8.029 1.00 0.00 H new ATOM 0 HG3 MET A 11 61.713 -2.553 9.216 1.00 0.00 H new ATOM 0 HE1 MET A 11 57.891 -3.117 7.696 1.00 0.00 H new ATOM 0 HE2 MET A 11 59.028 -1.918 7.034 1.00 0.00 H new ATOM 0 HE3 MET A 11 59.593 -3.561 7.421 1.00 0.00 H new ATOM 173 N ALA A 12 62.393 2.608 10.508 1.00 0.00 N ATOM 174 CA ALA A 12 62.072 3.861 11.246 1.00 0.00 C ATOM 175 C ALA A 12 61.499 4.893 10.273 1.00 0.00 C ATOM 176 O ALA A 12 60.703 5.734 10.641 1.00 0.00 O ATOM 177 CB ALA A 12 63.346 4.415 11.889 1.00 0.00 C ATOM 0 H ALA A 12 63.378 2.342 10.512 1.00 0.00 H new ATOM 0 HA ALA A 12 61.337 3.648 12.023 1.00 0.00 H new ATOM 0 HB1 ALA A 12 63.112 5.332 12.429 1.00 0.00 H new ATOM 0 HB2 ALA A 12 63.753 3.679 12.583 1.00 0.00 H new ATOM 0 HB3 ALA A 12 64.082 4.629 11.114 1.00 0.00 H new ATOM 183 N CYS A 13 61.897 4.835 9.032 1.00 0.00 N ATOM 184 CA CYS A 13 61.373 5.810 8.034 1.00 0.00 C ATOM 185 C CYS A 13 60.852 5.054 6.811 1.00 0.00 C ATOM 186 O CYS A 13 61.068 5.457 5.685 1.00 0.00 O ATOM 187 CB CYS A 13 62.495 6.755 7.599 1.00 0.00 C ATOM 188 SG CYS A 13 63.353 7.400 9.057 1.00 0.00 S ATOM 0 H CYS A 13 62.563 4.154 8.666 1.00 0.00 H new ATOM 0 HA CYS A 13 60.565 6.387 8.484 1.00 0.00 H new ATOM 0 HB2 CYS A 13 63.199 6.227 6.956 1.00 0.00 H new ATOM 0 HB3 CYS A 13 62.084 7.578 7.014 1.00 0.00 H new ATOM 0 HG CYS A 13 64.306 8.200 8.681 1.00 0.00 H new ATOM 193 N HIS A 14 60.170 3.961 7.018 1.00 0.00 N ATOM 194 CA HIS A 14 59.645 3.186 5.860 1.00 0.00 C ATOM 195 C HIS A 14 58.339 2.491 6.251 1.00 0.00 C ATOM 196 O HIS A 14 57.827 2.671 7.338 1.00 0.00 O ATOM 197 CB HIS A 14 60.672 2.132 5.440 1.00 0.00 C ATOM 198 CG HIS A 14 61.691 2.759 4.528 1.00 0.00 C ATOM 199 ND1 HIS A 14 61.665 2.577 3.154 1.00 0.00 N ATOM 200 CD2 HIS A 14 62.772 3.568 4.777 1.00 0.00 C ATOM 201 CE1 HIS A 14 62.700 3.262 2.634 1.00 0.00 C ATOM 202 NE2 HIS A 14 63.408 3.884 3.581 1.00 0.00 N ATOM 0 H HIS A 14 59.954 3.573 7.936 1.00 0.00 H new ATOM 0 HA HIS A 14 59.459 3.867 5.030 1.00 0.00 H new ATOM 0 HB2 HIS A 14 61.163 1.716 6.320 1.00 0.00 H new ATOM 0 HB3 HIS A 14 60.174 1.306 4.933 1.00 0.00 H new ATOM 0 HD1 HIS A 14 60.985 2.024 2.632 1.00 0.00 H new ATOM 0 HD2 HIS A 14 63.082 3.908 5.754 1.00 0.00 H new ATOM 0 HE1 HIS A 14 62.930 3.304 1.580 1.00 0.00 H new ATOM 210 N ASP A 15 57.800 1.695 5.369 1.00 0.00 N ATOM 211 CA ASP A 15 56.531 0.981 5.675 1.00 0.00 C ATOM 212 C ASP A 15 56.151 0.106 4.480 1.00 0.00 C ATOM 213 O ASP A 15 56.299 0.498 3.340 1.00 0.00 O ATOM 214 CB ASP A 15 55.418 1.996 5.944 1.00 0.00 C ATOM 215 CG ASP A 15 54.834 1.754 7.337 1.00 0.00 C ATOM 216 OD1 ASP A 15 55.496 2.096 8.304 1.00 0.00 O ATOM 217 OD2 ASP A 15 53.736 1.229 7.415 1.00 0.00 O ATOM 0 H ASP A 15 58.188 1.508 4.444 1.00 0.00 H new ATOM 0 HA ASP A 15 56.665 0.358 6.560 1.00 0.00 H new ATOM 0 HB2 ASP A 15 55.811 3.010 5.874 1.00 0.00 H new ATOM 0 HB3 ASP A 15 54.637 1.904 5.189 1.00 0.00 H new ATOM 222 N LEU A 16 55.672 -1.080 4.729 1.00 0.00 N ATOM 223 CA LEU A 16 55.295 -1.981 3.604 1.00 0.00 C ATOM 224 C LEU A 16 54.027 -1.467 2.923 1.00 0.00 C ATOM 225 O LEU A 16 53.777 -1.750 1.769 1.00 0.00 O ATOM 226 CB LEU A 16 55.038 -3.391 4.136 1.00 0.00 C ATOM 227 CG LEU A 16 56.310 -3.941 4.787 1.00 0.00 C ATOM 228 CD1 LEU A 16 56.170 -5.454 4.968 1.00 0.00 C ATOM 229 CD2 LEU A 16 57.518 -3.648 3.893 1.00 0.00 C ATOM 0 H LEU A 16 55.525 -1.465 5.662 1.00 0.00 H new ATOM 0 HA LEU A 16 56.112 -2.002 2.883 1.00 0.00 H new ATOM 0 HB2 LEU A 16 54.226 -3.373 4.863 1.00 0.00 H new ATOM 0 HB3 LEU A 16 54.723 -4.045 3.322 1.00 0.00 H new ATOM 0 HG LEU A 16 56.455 -3.464 5.756 1.00 0.00 H new ATOM 0 HD11 LEU A 16 57.074 -5.850 5.431 1.00 0.00 H new ATOM 0 HD12 LEU A 16 55.312 -5.666 5.606 1.00 0.00 H new ATOM 0 HD13 LEU A 16 56.024 -5.925 3.996 1.00 0.00 H new ATOM 0 HD21 LEU A 16 58.421 -4.041 4.361 1.00 0.00 H new ATOM 0 HD22 LEU A 16 57.376 -4.123 2.922 1.00 0.00 H new ATOM 0 HD23 LEU A 16 57.619 -2.571 3.759 1.00 0.00 H new ATOM 241 N LYS A 17 53.218 -0.722 3.624 1.00 0.00 N ATOM 242 CA LYS A 17 51.967 -0.211 2.999 1.00 0.00 C ATOM 243 C LYS A 17 52.000 1.317 2.941 1.00 0.00 C ATOM 244 O LYS A 17 51.001 1.976 3.143 1.00 0.00 O ATOM 245 CB LYS A 17 50.758 -0.667 3.818 1.00 0.00 C ATOM 246 CG LYS A 17 49.751 -1.359 2.896 1.00 0.00 C ATOM 247 CD LYS A 17 50.245 -2.770 2.569 1.00 0.00 C ATOM 248 CE LYS A 17 50.585 -2.861 1.081 1.00 0.00 C ATOM 249 NZ LYS A 17 49.521 -3.626 0.372 1.00 0.00 N ATOM 0 H LYS A 17 53.367 -0.447 4.595 1.00 0.00 H new ATOM 0 HA LYS A 17 51.888 -0.606 1.986 1.00 0.00 H new ATOM 0 HB2 LYS A 17 51.075 -1.350 4.606 1.00 0.00 H new ATOM 0 HB3 LYS A 17 50.292 0.189 4.307 1.00 0.00 H new ATOM 0 HG2 LYS A 17 48.774 -1.407 3.377 1.00 0.00 H new ATOM 0 HG3 LYS A 17 49.627 -0.784 1.978 1.00 0.00 H new ATOM 0 HD2 LYS A 17 51.124 -3.007 3.169 1.00 0.00 H new ATOM 0 HD3 LYS A 17 49.479 -3.503 2.823 1.00 0.00 H new ATOM 0 HE2 LYS A 17 50.673 -1.861 0.656 1.00 0.00 H new ATOM 0 HE3 LYS A 17 51.550 -3.350 0.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 49.753 -3.687 -0.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 49.458 -4.584 0.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 48.608 -3.141 0.489 1.00 0.00 H new ATOM 263 N ALA A 18 53.140 1.881 2.656 1.00 0.00 N ATOM 264 CA ALA A 18 53.243 3.367 2.573 1.00 0.00 C ATOM 265 C ALA A 18 52.714 3.999 3.864 1.00 0.00 C ATOM 266 O ALA A 18 51.527 4.000 4.127 1.00 0.00 O ATOM 267 CB ALA A 18 52.419 3.869 1.386 1.00 0.00 C ATOM 0 H ALA A 18 54.008 1.377 2.476 1.00 0.00 H new ATOM 0 HA ALA A 18 54.288 3.647 2.439 1.00 0.00 H new ATOM 0 HB1 ALA A 18 52.494 4.955 1.324 1.00 0.00 H new ATOM 0 HB2 ALA A 18 52.800 3.426 0.466 1.00 0.00 H new ATOM 0 HB3 ALA A 18 51.376 3.584 1.521 1.00 0.00 H new ATOM 273 N LYS A 19 53.582 4.545 4.668 1.00 0.00 N ATOM 274 CA LYS A 19 53.123 5.177 5.935 1.00 0.00 C ATOM 275 C LYS A 19 54.337 5.582 6.775 1.00 0.00 C ATOM 276 O LYS A 19 54.509 5.131 7.890 1.00 0.00 O ATOM 277 CB LYS A 19 52.265 4.182 6.722 1.00 0.00 C ATOM 278 CG LYS A 19 50.805 4.639 6.704 1.00 0.00 C ATOM 279 CD LYS A 19 49.895 3.458 7.047 1.00 0.00 C ATOM 280 CE LYS A 19 49.050 3.804 8.275 1.00 0.00 C ATOM 281 NZ LYS A 19 48.613 2.548 8.949 1.00 0.00 N ATOM 0 H LYS A 19 54.588 4.581 4.503 1.00 0.00 H new ATOM 0 HA LYS A 19 52.531 6.063 5.704 1.00 0.00 H new ATOM 0 HB2 LYS A 19 52.351 3.187 6.285 1.00 0.00 H new ATOM 0 HB3 LYS A 19 52.622 4.111 7.749 1.00 0.00 H new ATOM 0 HG2 LYS A 19 50.657 5.446 7.422 1.00 0.00 H new ATOM 0 HG3 LYS A 19 50.549 5.035 5.721 1.00 0.00 H new ATOM 0 HD2 LYS A 19 49.248 3.226 6.201 1.00 0.00 H new ATOM 0 HD3 LYS A 19 50.494 2.569 7.243 1.00 0.00 H new ATOM 0 HE2 LYS A 19 49.628 4.418 8.966 1.00 0.00 H new ATOM 0 HE3 LYS A 19 48.181 4.391 7.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 48.039 2.784 9.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 48.047 1.979 8.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 49.449 2.005 9.246 1.00 0.00 H new ATOM 295 N LYS A 20 55.181 6.429 6.251 1.00 0.00 N ATOM 296 CA LYS A 20 56.380 6.858 7.024 1.00 0.00 C ATOM 297 C LYS A 20 57.088 7.997 6.285 1.00 0.00 C ATOM 298 O LYS A 20 56.625 8.471 5.265 1.00 0.00 O ATOM 299 CB LYS A 20 57.340 5.676 7.174 1.00 0.00 C ATOM 300 CG LYS A 20 57.377 5.227 8.637 1.00 0.00 C ATOM 301 CD LYS A 20 57.851 6.385 9.520 1.00 0.00 C ATOM 302 CE LYS A 20 57.156 6.306 10.881 1.00 0.00 C ATOM 303 NZ LYS A 20 55.697 6.559 10.712 1.00 0.00 N ATOM 0 H LYS A 20 55.092 6.842 5.322 1.00 0.00 H new ATOM 0 HA LYS A 20 56.069 7.204 8.010 1.00 0.00 H new ATOM 0 HB2 LYS A 20 57.019 4.851 6.538 1.00 0.00 H new ATOM 0 HB3 LYS A 20 58.339 5.962 6.845 1.00 0.00 H new ATOM 0 HG2 LYS A 20 56.387 4.899 8.952 1.00 0.00 H new ATOM 0 HG3 LYS A 20 58.046 4.374 8.749 1.00 0.00 H new ATOM 0 HD2 LYS A 20 58.932 6.339 9.649 1.00 0.00 H new ATOM 0 HD3 LYS A 20 57.627 7.338 9.040 1.00 0.00 H new ATOM 0 HE2 LYS A 20 57.316 5.324 11.326 1.00 0.00 H new ATOM 0 HE3 LYS A 20 57.586 7.039 11.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 55.289 6.856 11.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 55.554 7.309 10.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 55.229 5.688 10.391 1.00 0.00 H new ATOM 317 N VAL A 21 58.206 8.441 6.791 1.00 0.00 N ATOM 318 CA VAL A 21 58.942 9.549 6.119 1.00 0.00 C ATOM 319 C VAL A 21 59.577 9.035 4.827 1.00 0.00 C ATOM 320 O VAL A 21 59.293 9.517 3.749 1.00 0.00 O ATOM 321 CB VAL A 21 60.038 10.069 7.050 1.00 0.00 C ATOM 322 CG1 VAL A 21 60.505 11.444 6.572 1.00 0.00 C ATOM 323 CG2 VAL A 21 59.485 10.183 8.472 1.00 0.00 C ATOM 0 H VAL A 21 58.642 8.084 7.641 1.00 0.00 H new ATOM 0 HA VAL A 21 58.246 10.355 5.885 1.00 0.00 H new ATOM 0 HB VAL A 21 60.881 9.378 7.041 1.00 0.00 H new ATOM 0 HG11 VAL A 21 61.286 11.814 7.236 1.00 0.00 H new ATOM 0 HG12 VAL A 21 60.898 11.363 5.559 1.00 0.00 H new ATOM 0 HG13 VAL A 21 59.664 12.137 6.580 1.00 0.00 H new ATOM 0 HG21 VAL A 21 60.265 10.554 9.137 1.00 0.00 H new ATOM 0 HG22 VAL A 21 58.642 10.874 8.480 1.00 0.00 H new ATOM 0 HG23 VAL A 21 59.153 9.202 8.813 1.00 0.00 H new ATOM 333 N GLY A 22 60.440 8.062 4.926 1.00 0.00 N ATOM 334 CA GLY A 22 61.096 7.521 3.703 1.00 0.00 C ATOM 335 C GLY A 22 60.039 6.913 2.778 1.00 0.00 C ATOM 336 O GLY A 22 58.866 6.905 3.100 1.00 0.00 O ATOM 0 H GLY A 22 60.719 7.618 5.801 1.00 0.00 H new ATOM 0 HA2 GLY A 22 61.633 8.315 3.185 1.00 0.00 H new ATOM 0 HA3 GLY A 22 61.832 6.765 3.977 1.00 0.00 H new ATOM 340 N PRO A 23 60.489 6.420 1.653 1.00 0.00 N ATOM 341 CA PRO A 23 59.610 5.795 0.650 1.00 0.00 C ATOM 342 C PRO A 23 59.221 4.381 1.090 1.00 0.00 C ATOM 343 O PRO A 23 60.066 3.557 1.382 1.00 0.00 O ATOM 344 CB PRO A 23 60.476 5.758 -0.614 1.00 0.00 C ATOM 345 CG PRO A 23 61.946 5.829 -0.137 1.00 0.00 C ATOM 346 CD PRO A 23 61.920 6.435 1.279 1.00 0.00 C ATOM 0 HA PRO A 23 58.674 6.334 0.502 1.00 0.00 H new ATOM 0 HB2 PRO A 23 60.295 4.845 -1.182 1.00 0.00 H new ATOM 0 HB3 PRO A 23 60.240 6.595 -1.271 1.00 0.00 H new ATOM 0 HG2 PRO A 23 62.398 4.837 -0.126 1.00 0.00 H new ATOM 0 HG3 PRO A 23 62.543 6.444 -0.811 1.00 0.00 H new ATOM 0 HD2 PRO A 23 62.520 5.848 1.975 1.00 0.00 H new ATOM 0 HD3 PRO A 23 62.323 7.448 1.286 1.00 0.00 H new ATOM 354 N ALA A 24 57.949 4.092 1.144 1.00 0.00 N ATOM 355 CA ALA A 24 57.512 2.732 1.571 1.00 0.00 C ATOM 356 C ALA A 24 58.285 1.676 0.781 1.00 0.00 C ATOM 357 O ALA A 24 58.724 1.912 -0.328 1.00 0.00 O ATOM 358 CB ALA A 24 56.015 2.567 1.308 1.00 0.00 C ATOM 0 H ALA A 24 57.195 4.738 0.911 1.00 0.00 H new ATOM 0 HA ALA A 24 57.709 2.608 2.636 1.00 0.00 H new ATOM 0 HB1 ALA A 24 55.698 1.572 1.621 1.00 0.00 H new ATOM 0 HB2 ALA A 24 55.462 3.318 1.872 1.00 0.00 H new ATOM 0 HB3 ALA A 24 55.817 2.693 0.244 1.00 0.00 H new ATOM 364 N TYR A 25 58.452 0.510 1.342 1.00 0.00 N ATOM 365 CA TYR A 25 59.191 -0.560 0.626 1.00 0.00 C ATOM 366 C TYR A 25 58.324 -1.096 -0.513 1.00 0.00 C ATOM 367 O TYR A 25 58.801 -1.359 -1.600 1.00 0.00 O ATOM 368 CB TYR A 25 59.509 -1.687 1.606 1.00 0.00 C ATOM 369 CG TYR A 25 60.637 -1.259 2.515 1.00 0.00 C ATOM 370 CD1 TYR A 25 61.763 -0.624 1.980 1.00 0.00 C ATOM 371 CD2 TYR A 25 60.553 -1.496 3.892 1.00 0.00 C ATOM 372 CE1 TYR A 25 62.807 -0.226 2.822 1.00 0.00 C ATOM 373 CE2 TYR A 25 61.598 -1.097 4.734 1.00 0.00 C ATOM 374 CZ TYR A 25 62.725 -0.463 4.199 1.00 0.00 C ATOM 375 OH TYR A 25 63.753 -0.069 5.030 1.00 0.00 O ATOM 0 H TYR A 25 58.107 0.255 2.267 1.00 0.00 H new ATOM 0 HA TYR A 25 60.119 -0.162 0.216 1.00 0.00 H new ATOM 0 HB2 TYR A 25 58.625 -1.931 2.195 1.00 0.00 H new ATOM 0 HB3 TYR A 25 59.788 -2.589 1.062 1.00 0.00 H new ATOM 0 HD1 TYR A 25 61.826 -0.441 0.917 1.00 0.00 H new ATOM 0 HD2 TYR A 25 59.683 -1.986 4.304 1.00 0.00 H new ATOM 0 HE1 TYR A 25 63.676 0.264 2.409 1.00 0.00 H new ATOM 0 HE2 TYR A 25 61.534 -1.279 5.797 1.00 0.00 H new ATOM 0 HH TYR A 25 63.589 0.845 5.343 1.00 0.00 H new ATOM 385 N ALA A 26 57.051 -1.251 -0.277 1.00 0.00 N ATOM 386 CA ALA A 26 56.153 -1.761 -1.349 1.00 0.00 C ATOM 387 C ALA A 26 56.103 -0.737 -2.486 1.00 0.00 C ATOM 388 O ALA A 26 56.074 -1.087 -3.648 1.00 0.00 O ATOM 389 CB ALA A 26 54.748 -1.969 -0.782 1.00 0.00 C ATOM 0 H ALA A 26 56.594 -1.046 0.612 1.00 0.00 H new ATOM 0 HA ALA A 26 56.531 -2.711 -1.727 1.00 0.00 H new ATOM 0 HB1 ALA A 26 54.090 -2.342 -1.567 1.00 0.00 H new ATOM 0 HB2 ALA A 26 54.788 -2.692 0.033 1.00 0.00 H new ATOM 0 HB3 ALA A 26 54.363 -1.021 -0.407 1.00 0.00 H new ATOM 395 N ASP A 27 56.100 0.526 -2.157 1.00 0.00 N ATOM 396 CA ASP A 27 56.060 1.573 -3.212 1.00 0.00 C ATOM 397 C ASP A 27 57.360 1.521 -4.016 1.00 0.00 C ATOM 398 O ASP A 27 57.349 1.518 -5.231 1.00 0.00 O ATOM 399 CB ASP A 27 55.916 2.947 -2.556 1.00 0.00 C ATOM 400 CG ASP A 27 54.447 3.199 -2.212 1.00 0.00 C ATOM 401 OD1 ASP A 27 53.966 2.590 -1.271 1.00 0.00 O ATOM 402 OD2 ASP A 27 53.827 3.997 -2.897 1.00 0.00 O ATOM 0 H ASP A 27 56.124 0.877 -1.200 1.00 0.00 H new ATOM 0 HA ASP A 27 55.213 1.400 -3.875 1.00 0.00 H new ATOM 0 HB2 ASP A 27 56.525 2.996 -1.653 1.00 0.00 H new ATOM 0 HB3 ASP A 27 56.281 3.723 -3.229 1.00 0.00 H new ATOM 407 N VAL A 28 58.480 1.472 -3.347 1.00 0.00 N ATOM 408 CA VAL A 28 59.780 1.410 -4.073 1.00 0.00 C ATOM 409 C VAL A 28 59.772 0.206 -5.016 1.00 0.00 C ATOM 410 O VAL A 28 60.336 0.244 -6.092 1.00 0.00 O ATOM 411 CB VAL A 28 60.919 1.258 -3.062 1.00 0.00 C ATOM 412 CG1 VAL A 28 62.247 1.102 -3.803 1.00 0.00 C ATOM 413 CG2 VAL A 28 60.978 2.502 -2.173 1.00 0.00 C ATOM 0 H VAL A 28 58.551 1.472 -2.329 1.00 0.00 H new ATOM 0 HA VAL A 28 59.924 2.325 -4.648 1.00 0.00 H new ATOM 0 HB VAL A 28 60.741 0.375 -2.447 1.00 0.00 H new ATOM 0 HG11 VAL A 28 63.056 0.994 -3.081 1.00 0.00 H new ATOM 0 HG12 VAL A 28 62.207 0.217 -4.438 1.00 0.00 H new ATOM 0 HG13 VAL A 28 62.426 1.983 -4.419 1.00 0.00 H new ATOM 0 HG21 VAL A 28 61.789 2.396 -1.452 1.00 0.00 H new ATOM 0 HG22 VAL A 28 61.155 3.383 -2.791 1.00 0.00 H new ATOM 0 HG23 VAL A 28 60.033 2.615 -1.642 1.00 0.00 H new ATOM 423 N ALA A 29 59.136 -0.863 -4.622 1.00 0.00 N ATOM 424 CA ALA A 29 59.090 -2.066 -5.494 1.00 0.00 C ATOM 425 C ALA A 29 58.216 -1.776 -6.713 1.00 0.00 C ATOM 426 O ALA A 29 58.562 -2.110 -7.827 1.00 0.00 O ATOM 427 CB ALA A 29 58.504 -3.242 -4.712 1.00 0.00 C ATOM 0 H ALA A 29 58.646 -0.953 -3.732 1.00 0.00 H new ATOM 0 HA ALA A 29 60.099 -2.317 -5.822 1.00 0.00 H new ATOM 0 HB1 ALA A 29 58.470 -4.124 -5.352 1.00 0.00 H new ATOM 0 HB2 ALA A 29 59.128 -3.448 -3.843 1.00 0.00 H new ATOM 0 HB3 ALA A 29 57.495 -2.994 -4.383 1.00 0.00 H new ATOM 433 N LYS A 30 57.086 -1.158 -6.516 1.00 0.00 N ATOM 434 CA LYS A 30 56.197 -0.849 -7.670 1.00 0.00 C ATOM 435 C LYS A 30 56.867 0.206 -8.551 1.00 0.00 C ATOM 436 O LYS A 30 56.553 0.349 -9.716 1.00 0.00 O ATOM 437 CB LYS A 30 54.859 -0.316 -7.154 1.00 0.00 C ATOM 438 CG LYS A 30 53.820 -0.371 -8.276 1.00 0.00 C ATOM 439 CD LYS A 30 52.415 -0.285 -7.675 1.00 0.00 C ATOM 440 CE LYS A 30 51.635 -1.558 -8.012 1.00 0.00 C ATOM 441 NZ LYS A 30 51.516 -2.402 -6.792 1.00 0.00 N ATOM 0 H LYS A 30 56.739 -0.853 -5.606 1.00 0.00 H new ATOM 0 HA LYS A 30 56.022 -1.753 -8.253 1.00 0.00 H new ATOM 0 HB2 LYS A 30 54.523 -0.909 -6.304 1.00 0.00 H new ATOM 0 HB3 LYS A 30 54.975 0.709 -6.802 1.00 0.00 H new ATOM 0 HG2 LYS A 30 53.979 0.451 -8.974 1.00 0.00 H new ATOM 0 HG3 LYS A 30 53.929 -1.296 -8.842 1.00 0.00 H new ATOM 0 HD2 LYS A 30 52.478 -0.160 -6.594 1.00 0.00 H new ATOM 0 HD3 LYS A 30 51.893 0.588 -8.067 1.00 0.00 H new ATOM 0 HE2 LYS A 30 50.645 -1.302 -8.389 1.00 0.00 H new ATOM 0 HE3 LYS A 30 52.143 -2.111 -8.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 50.986 -3.268 -7.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 52.465 -2.656 -6.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 51.013 -1.873 -6.051 1.00 0.00 H new ATOM 455 N LYS A 31 57.795 0.943 -8.003 1.00 0.00 N ATOM 456 CA LYS A 31 58.491 1.983 -8.803 1.00 0.00 C ATOM 457 C LYS A 31 59.487 1.306 -9.745 1.00 0.00 C ATOM 458 O LYS A 31 59.933 1.882 -10.717 1.00 0.00 O ATOM 459 CB LYS A 31 59.240 2.933 -7.867 1.00 0.00 C ATOM 460 CG LYS A 31 58.819 4.374 -8.158 1.00 0.00 C ATOM 461 CD LYS A 31 57.385 4.591 -7.674 1.00 0.00 C ATOM 462 CE LYS A 31 56.566 5.260 -8.779 1.00 0.00 C ATOM 463 NZ LYS A 31 55.137 4.858 -8.647 1.00 0.00 N ATOM 0 H LYS A 31 58.100 0.867 -7.033 1.00 0.00 H new ATOM 0 HA LYS A 31 57.762 2.549 -9.383 1.00 0.00 H new ATOM 0 HB2 LYS A 31 59.024 2.683 -6.828 1.00 0.00 H new ATOM 0 HB3 LYS A 31 60.316 2.823 -8.004 1.00 0.00 H new ATOM 0 HG2 LYS A 31 59.493 5.070 -7.658 1.00 0.00 H new ATOM 0 HG3 LYS A 31 58.888 4.576 -9.227 1.00 0.00 H new ATOM 0 HD2 LYS A 31 56.935 3.637 -7.401 1.00 0.00 H new ATOM 0 HD3 LYS A 31 57.383 5.213 -6.779 1.00 0.00 H new ATOM 0 HE2 LYS A 31 56.658 6.344 -8.710 1.00 0.00 H new ATOM 0 HE3 LYS A 31 56.948 4.969 -9.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 54.578 5.312 -9.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 55.058 3.825 -8.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 54.777 5.157 -7.718 1.00 0.00 H new ATOM 477 N TYR A 32 59.837 0.083 -9.460 1.00 0.00 N ATOM 478 CA TYR A 32 60.802 -0.642 -10.330 1.00 0.00 C ATOM 479 C TYR A 32 60.239 -2.027 -10.644 1.00 0.00 C ATOM 480 O TYR A 32 59.387 -2.533 -9.942 1.00 0.00 O ATOM 481 CB TYR A 32 62.141 -0.774 -9.600 1.00 0.00 C ATOM 482 CG TYR A 32 62.650 0.602 -9.236 1.00 0.00 C ATOM 483 CD1 TYR A 32 63.082 1.476 -10.241 1.00 0.00 C ATOM 484 CD2 TYR A 32 62.685 1.006 -7.896 1.00 0.00 C ATOM 485 CE1 TYR A 32 63.550 2.753 -9.907 1.00 0.00 C ATOM 486 CE2 TYR A 32 63.154 2.282 -7.561 1.00 0.00 C ATOM 487 CZ TYR A 32 63.586 3.155 -8.566 1.00 0.00 C ATOM 488 OH TYR A 32 64.046 4.414 -8.236 1.00 0.00 O ATOM 0 H TYR A 32 59.494 -0.447 -8.659 1.00 0.00 H new ATOM 0 HA TYR A 32 60.957 -0.093 -11.259 1.00 0.00 H new ATOM 0 HB2 TYR A 32 62.020 -1.379 -8.701 1.00 0.00 H new ATOM 0 HB3 TYR A 32 62.865 -1.286 -10.234 1.00 0.00 H new ATOM 0 HD1 TYR A 32 63.054 1.165 -11.275 1.00 0.00 H new ATOM 0 HD2 TYR A 32 62.350 0.333 -7.120 1.00 0.00 H new ATOM 0 HE1 TYR A 32 63.883 3.427 -10.683 1.00 0.00 H new ATOM 0 HE2 TYR A 32 63.182 2.593 -6.527 1.00 0.00 H new ATOM 0 HH TYR A 32 64.004 4.533 -7.264 1.00 0.00 H new ATOM 498 N ALA A 33 60.693 -2.647 -11.695 1.00 0.00 N ATOM 499 CA ALA A 33 60.165 -3.992 -12.044 1.00 0.00 C ATOM 500 C ALA A 33 60.637 -4.370 -13.443 1.00 0.00 C ATOM 501 O ALA A 33 60.192 -3.823 -14.433 1.00 0.00 O ATOM 502 CB ALA A 33 58.636 -3.962 -12.008 1.00 0.00 C ATOM 0 H ALA A 33 61.406 -2.281 -12.326 1.00 0.00 H new ATOM 0 HA ALA A 33 60.529 -4.728 -11.327 1.00 0.00 H new ATOM 0 HB1 ALA A 33 58.247 -4.947 -12.264 1.00 0.00 H new ATOM 0 HB2 ALA A 33 58.301 -3.688 -11.008 1.00 0.00 H new ATOM 0 HB3 ALA A 33 58.269 -3.229 -12.727 1.00 0.00 H new ATOM 508 N GLY A 34 61.549 -5.293 -13.531 1.00 0.00 N ATOM 509 CA GLY A 34 62.069 -5.698 -14.863 1.00 0.00 C ATOM 510 C GLY A 34 63.379 -4.958 -15.120 1.00 0.00 C ATOM 511 O GLY A 34 64.136 -5.297 -16.008 1.00 0.00 O ATOM 0 H GLY A 34 61.958 -5.786 -12.737 1.00 0.00 H new ATOM 0 HA2 GLY A 34 62.231 -6.775 -14.894 1.00 0.00 H new ATOM 0 HA3 GLY A 34 61.342 -5.462 -15.640 1.00 0.00 H new ATOM 515 N ARG A 35 63.653 -3.946 -14.340 1.00 0.00 N ATOM 516 CA ARG A 35 64.915 -3.181 -14.528 1.00 0.00 C ATOM 517 C ARG A 35 66.075 -4.160 -14.715 1.00 0.00 C ATOM 518 O ARG A 35 66.091 -5.232 -14.146 1.00 0.00 O ATOM 519 CB ARG A 35 65.172 -2.312 -13.295 1.00 0.00 C ATOM 520 CG ARG A 35 65.925 -1.048 -13.708 1.00 0.00 C ATOM 521 CD ARG A 35 64.956 -0.075 -14.380 1.00 0.00 C ATOM 522 NE ARG A 35 65.514 1.304 -14.318 1.00 0.00 N ATOM 523 CZ ARG A 35 65.053 2.234 -15.111 1.00 0.00 C ATOM 524 NH1 ARG A 35 64.101 1.957 -15.963 1.00 0.00 N ATOM 525 NH2 ARG A 35 65.543 3.442 -15.053 1.00 0.00 N ATOM 0 H ARG A 35 63.056 -3.618 -13.581 1.00 0.00 H new ATOM 0 HA ARG A 35 64.830 -2.544 -15.408 1.00 0.00 H new ATOM 0 HB2 ARG A 35 64.227 -2.046 -12.821 1.00 0.00 H new ATOM 0 HB3 ARG A 35 65.752 -2.869 -12.559 1.00 0.00 H new ATOM 0 HG2 ARG A 35 66.379 -0.581 -12.834 1.00 0.00 H new ATOM 0 HG3 ARG A 35 66.735 -1.301 -14.392 1.00 0.00 H new ATOM 0 HD2 ARG A 35 64.793 -0.366 -15.418 1.00 0.00 H new ATOM 0 HD3 ARG A 35 63.987 -0.109 -13.883 1.00 0.00 H new ATOM 0 HE ARG A 35 66.258 1.523 -13.655 1.00 0.00 H new ATOM 0 HH11 ARG A 35 63.717 1.013 -16.009 1.00 0.00 H new ATOM 0 HH12 ARG A 35 63.742 2.685 -16.581 1.00 0.00 H new ATOM 0 HH21 ARG A 35 66.286 3.660 -14.389 1.00 0.00 H new ATOM 0 HH22 ARG A 35 65.183 4.169 -15.672 1.00 0.00 H new ATOM 539 N LYS A 36 67.046 -3.801 -15.508 1.00 0.00 N ATOM 540 CA LYS A 36 68.200 -4.716 -15.730 1.00 0.00 C ATOM 541 C LYS A 36 69.247 -4.489 -14.639 1.00 0.00 C ATOM 542 O LYS A 36 70.374 -4.933 -14.744 1.00 0.00 O ATOM 543 CB LYS A 36 68.816 -4.436 -17.101 1.00 0.00 C ATOM 544 CG LYS A 36 67.839 -4.873 -18.193 1.00 0.00 C ATOM 545 CD LYS A 36 67.354 -3.647 -18.969 1.00 0.00 C ATOM 546 CE LYS A 36 66.862 -4.081 -20.351 1.00 0.00 C ATOM 547 NZ LYS A 36 65.911 -3.066 -20.886 1.00 0.00 N ATOM 0 H LYS A 36 67.090 -2.915 -16.011 1.00 0.00 H new ATOM 0 HA LYS A 36 67.858 -5.750 -15.693 1.00 0.00 H new ATOM 0 HB2 LYS A 36 69.040 -3.374 -17.202 1.00 0.00 H new ATOM 0 HB3 LYS A 36 69.759 -4.972 -17.205 1.00 0.00 H new ATOM 0 HG2 LYS A 36 68.325 -5.575 -18.870 1.00 0.00 H new ATOM 0 HG3 LYS A 36 66.991 -5.394 -17.749 1.00 0.00 H new ATOM 0 HD2 LYS A 36 66.550 -3.153 -18.424 1.00 0.00 H new ATOM 0 HD3 LYS A 36 68.163 -2.923 -19.070 1.00 0.00 H new ATOM 0 HE2 LYS A 36 67.707 -4.195 -21.030 1.00 0.00 H new ATOM 0 HE3 LYS A 36 66.373 -5.053 -20.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 65.578 -3.363 -21.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 65.099 -2.978 -20.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 66.392 -2.147 -20.964 1.00 0.00 H new ATOM 561 N ASP A 37 68.884 -3.802 -13.592 1.00 0.00 N ATOM 562 CA ASP A 37 69.857 -3.548 -12.492 1.00 0.00 C ATOM 563 C ASP A 37 69.143 -2.838 -11.342 1.00 0.00 C ATOM 564 O ASP A 37 69.598 -1.826 -10.846 1.00 0.00 O ATOM 565 CB ASP A 37 70.996 -2.667 -13.010 1.00 0.00 C ATOM 566 CG ASP A 37 70.432 -1.613 -13.963 1.00 0.00 C ATOM 567 OD1 ASP A 37 69.771 -0.705 -13.485 1.00 0.00 O ATOM 568 OD2 ASP A 37 70.671 -1.729 -15.153 1.00 0.00 O ATOM 0 H ASP A 37 67.955 -3.405 -13.450 1.00 0.00 H new ATOM 0 HA ASP A 37 70.266 -4.495 -12.139 1.00 0.00 H new ATOM 0 HB2 ASP A 37 71.504 -2.184 -12.176 1.00 0.00 H new ATOM 0 HB3 ASP A 37 71.738 -3.278 -13.524 1.00 0.00 H new ATOM 573 N ALA A 38 68.029 -3.362 -10.914 1.00 0.00 N ATOM 574 CA ALA A 38 67.283 -2.722 -9.795 1.00 0.00 C ATOM 575 C ALA A 38 67.946 -3.094 -8.468 1.00 0.00 C ATOM 576 O ALA A 38 67.810 -2.401 -7.479 1.00 0.00 O ATOM 577 CB ALA A 38 65.836 -3.216 -9.799 1.00 0.00 C ATOM 0 H ALA A 38 67.602 -4.208 -11.292 1.00 0.00 H new ATOM 0 HA ALA A 38 67.296 -1.639 -9.919 1.00 0.00 H new ATOM 0 HB1 ALA A 38 65.289 -2.748 -8.980 1.00 0.00 H new ATOM 0 HB2 ALA A 38 65.365 -2.954 -10.746 1.00 0.00 H new ATOM 0 HB3 ALA A 38 65.821 -4.299 -9.673 1.00 0.00 H new ATOM 583 N VAL A 39 68.664 -4.182 -8.439 1.00 0.00 N ATOM 584 CA VAL A 39 69.336 -4.598 -7.178 1.00 0.00 C ATOM 585 C VAL A 39 70.540 -3.688 -6.927 1.00 0.00 C ATOM 586 O VAL A 39 70.778 -3.250 -5.818 1.00 0.00 O ATOM 587 CB VAL A 39 69.806 -6.047 -7.305 1.00 0.00 C ATOM 588 CG1 VAL A 39 70.459 -6.491 -5.995 1.00 0.00 C ATOM 589 CG2 VAL A 39 68.603 -6.944 -7.608 1.00 0.00 C ATOM 0 H VAL A 39 68.814 -4.801 -9.235 1.00 0.00 H new ATOM 0 HA VAL A 39 68.637 -4.518 -6.345 1.00 0.00 H new ATOM 0 HB VAL A 39 70.533 -6.125 -8.114 1.00 0.00 H new ATOM 0 HG11 VAL A 39 70.794 -7.524 -6.087 1.00 0.00 H new ATOM 0 HG12 VAL A 39 71.314 -5.851 -5.779 1.00 0.00 H new ATOM 0 HG13 VAL A 39 69.735 -6.415 -5.184 1.00 0.00 H new ATOM 0 HG21 VAL A 39 68.934 -7.978 -7.699 1.00 0.00 H new ATOM 0 HG22 VAL A 39 67.877 -6.865 -6.798 1.00 0.00 H new ATOM 0 HG23 VAL A 39 68.139 -6.628 -8.542 1.00 0.00 H new ATOM 599 N ASP A 40 71.296 -3.396 -7.948 1.00 0.00 N ATOM 600 CA ASP A 40 72.481 -2.511 -7.769 1.00 0.00 C ATOM 601 C ASP A 40 72.008 -1.078 -7.524 1.00 0.00 C ATOM 602 O ASP A 40 72.462 -0.411 -6.615 1.00 0.00 O ATOM 603 CB ASP A 40 73.347 -2.552 -9.029 1.00 0.00 C ATOM 604 CG ASP A 40 74.801 -2.258 -8.658 1.00 0.00 C ATOM 605 OD1 ASP A 40 75.018 -1.679 -7.606 1.00 0.00 O ATOM 606 OD2 ASP A 40 75.673 -2.617 -9.431 1.00 0.00 O ATOM 0 H ASP A 40 71.145 -3.732 -8.899 1.00 0.00 H new ATOM 0 HA ASP A 40 73.067 -2.855 -6.917 1.00 0.00 H new ATOM 0 HB2 ASP A 40 73.272 -3.531 -9.503 1.00 0.00 H new ATOM 0 HB3 ASP A 40 72.990 -1.819 -9.753 1.00 0.00 H new ATOM 611 N TYR A 41 71.101 -0.596 -8.328 1.00 0.00 N ATOM 612 CA TYR A 41 70.601 0.793 -8.141 1.00 0.00 C ATOM 613 C TYR A 41 70.041 0.943 -6.726 1.00 0.00 C ATOM 614 O TYR A 41 70.415 1.836 -5.992 1.00 0.00 O ATOM 615 CB TYR A 41 69.503 1.085 -9.166 1.00 0.00 C ATOM 616 CG TYR A 41 68.935 2.466 -8.929 1.00 0.00 C ATOM 617 CD1 TYR A 41 69.702 3.441 -8.276 1.00 0.00 C ATOM 618 CD2 TYR A 41 67.641 2.773 -9.366 1.00 0.00 C ATOM 619 CE1 TYR A 41 69.173 4.719 -8.061 1.00 0.00 C ATOM 620 CE2 TYR A 41 67.112 4.051 -9.149 1.00 0.00 C ATOM 621 CZ TYR A 41 67.879 5.024 -8.497 1.00 0.00 C ATOM 622 OH TYR A 41 67.357 6.285 -8.283 1.00 0.00 O ATOM 0 H TYR A 41 70.685 -1.106 -9.107 1.00 0.00 H new ATOM 0 HA TYR A 41 71.420 1.499 -8.283 1.00 0.00 H new ATOM 0 HB2 TYR A 41 69.908 1.017 -10.176 1.00 0.00 H new ATOM 0 HB3 TYR A 41 68.713 0.338 -9.088 1.00 0.00 H new ATOM 0 HD1 TYR A 41 70.701 3.206 -7.939 1.00 0.00 H new ATOM 0 HD2 TYR A 41 67.050 2.023 -9.871 1.00 0.00 H new ATOM 0 HE1 TYR A 41 69.764 5.470 -7.558 1.00 0.00 H new ATOM 0 HE2 TYR A 41 66.113 4.286 -9.484 1.00 0.00 H new ATOM 0 HH TYR A 41 66.449 6.329 -8.648 1.00 0.00 H new ATOM 632 N LEU A 42 69.148 0.075 -6.333 1.00 0.00 N ATOM 633 CA LEU A 42 68.572 0.173 -4.962 1.00 0.00 C ATOM 634 C LEU A 42 69.709 0.226 -3.943 1.00 0.00 C ATOM 635 O LEU A 42 69.907 1.217 -3.270 1.00 0.00 O ATOM 636 CB LEU A 42 67.693 -1.049 -4.688 1.00 0.00 C ATOM 637 CG LEU A 42 66.270 -0.772 -5.175 1.00 0.00 C ATOM 638 CD1 LEU A 42 65.611 -2.084 -5.603 1.00 0.00 C ATOM 639 CD2 LEU A 42 65.457 -0.140 -4.042 1.00 0.00 C ATOM 0 H LEU A 42 68.794 -0.695 -6.900 1.00 0.00 H new ATOM 0 HA LEU A 42 67.967 1.076 -4.882 1.00 0.00 H new ATOM 0 HB2 LEU A 42 68.099 -1.924 -5.196 1.00 0.00 H new ATOM 0 HB3 LEU A 42 67.687 -1.274 -3.622 1.00 0.00 H new ATOM 0 HG LEU A 42 66.304 -0.089 -6.024 1.00 0.00 H new ATOM 0 HD11 LEU A 42 64.597 -1.886 -5.950 1.00 0.00 H new ATOM 0 HD12 LEU A 42 66.189 -2.535 -6.410 1.00 0.00 H new ATOM 0 HD13 LEU A 42 65.577 -2.768 -4.755 1.00 0.00 H new ATOM 0 HD21 LEU A 42 64.443 0.058 -4.388 1.00 0.00 H new ATOM 0 HD22 LEU A 42 65.424 -0.823 -3.193 1.00 0.00 H new ATOM 0 HD23 LEU A 42 65.925 0.796 -3.737 1.00 0.00 H new ATOM 651 N ALA A 43 70.455 -0.835 -3.830 1.00 0.00 N ATOM 652 CA ALA A 43 71.587 -0.858 -2.862 1.00 0.00 C ATOM 653 C ALA A 43 72.336 0.473 -2.926 1.00 0.00 C ATOM 654 O ALA A 43 72.866 0.946 -1.941 1.00 0.00 O ATOM 655 CB ALA A 43 72.540 -1.999 -3.224 1.00 0.00 C ATOM 0 H ALA A 43 70.330 -1.692 -4.369 1.00 0.00 H new ATOM 0 HA ALA A 43 71.203 -1.011 -1.853 1.00 0.00 H new ATOM 0 HB1 ALA A 43 73.370 -2.018 -2.517 1.00 0.00 H new ATOM 0 HB2 ALA A 43 72.005 -2.948 -3.181 1.00 0.00 H new ATOM 0 HB3 ALA A 43 72.926 -1.845 -4.232 1.00 0.00 H new ATOM 661 N GLY A 44 72.379 1.086 -4.078 1.00 0.00 N ATOM 662 CA GLY A 44 73.090 2.390 -4.203 1.00 0.00 C ATOM 663 C GLY A 44 72.412 3.424 -3.302 1.00 0.00 C ATOM 664 O GLY A 44 73.028 4.000 -2.428 1.00 0.00 O ATOM 0 H GLY A 44 71.953 0.740 -4.938 1.00 0.00 H new ATOM 0 HA2 GLY A 44 74.137 2.275 -3.921 1.00 0.00 H new ATOM 0 HA3 GLY A 44 73.075 2.728 -5.239 1.00 0.00 H new ATOM 668 N LYS A 45 71.144 3.660 -3.507 1.00 0.00 N ATOM 669 CA LYS A 45 70.423 4.653 -2.661 1.00 0.00 C ATOM 670 C LYS A 45 70.415 4.169 -1.210 1.00 0.00 C ATOM 671 O LYS A 45 70.120 4.915 -0.296 1.00 0.00 O ATOM 672 CB LYS A 45 68.984 4.796 -3.160 1.00 0.00 C ATOM 673 CG LYS A 45 68.981 5.517 -4.510 1.00 0.00 C ATOM 674 CD LYS A 45 67.940 6.637 -4.490 1.00 0.00 C ATOM 675 CE LYS A 45 68.573 7.934 -4.997 1.00 0.00 C ATOM 676 NZ LYS A 45 68.238 9.048 -4.066 1.00 0.00 N ATOM 0 H LYS A 45 70.577 3.208 -4.224 1.00 0.00 H new ATOM 0 HA LYS A 45 70.925 5.619 -2.721 1.00 0.00 H new ATOM 0 HB2 LYS A 45 68.523 3.813 -3.260 1.00 0.00 H new ATOM 0 HB3 LYS A 45 68.391 5.355 -2.436 1.00 0.00 H new ATOM 0 HG2 LYS A 45 69.969 5.929 -4.716 1.00 0.00 H new ATOM 0 HG3 LYS A 45 68.756 4.812 -5.310 1.00 0.00 H new ATOM 0 HD2 LYS A 45 67.089 6.367 -5.115 1.00 0.00 H new ATOM 0 HD3 LYS A 45 67.561 6.777 -3.478 1.00 0.00 H new ATOM 0 HE2 LYS A 45 69.655 7.819 -5.069 1.00 0.00 H new ATOM 0 HE3 LYS A 45 68.209 8.161 -5.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 68.410 9.959 -4.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 67.237 8.983 -3.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 68.834 8.981 -3.216 1.00 0.00 H new ATOM 690 N ILE A 46 70.740 2.925 -0.992 1.00 0.00 N ATOM 691 CA ILE A 46 70.758 2.386 0.396 1.00 0.00 C ATOM 692 C ILE A 46 72.020 2.891 1.109 1.00 0.00 C ATOM 693 O ILE A 46 71.954 3.443 2.190 1.00 0.00 O ATOM 694 CB ILE A 46 70.735 0.847 0.331 1.00 0.00 C ATOM 695 CG1 ILE A 46 69.284 0.363 0.404 1.00 0.00 C ATOM 696 CG2 ILE A 46 71.522 0.237 1.496 1.00 0.00 C ATOM 697 CD1 ILE A 46 69.061 -0.745 -0.626 1.00 0.00 C ATOM 0 H ILE A 46 70.995 2.256 -1.719 1.00 0.00 H new ATOM 0 HA ILE A 46 69.886 2.724 0.955 1.00 0.00 H new ATOM 0 HB ILE A 46 71.197 0.533 -0.605 1.00 0.00 H new ATOM 0 HG12 ILE A 46 69.063 -0.007 1.405 1.00 0.00 H new ATOM 0 HG13 ILE A 46 68.603 1.193 0.214 1.00 0.00 H new ATOM 0 HG21 ILE A 46 71.490 -0.850 1.427 1.00 0.00 H new ATOM 0 HG22 ILE A 46 72.558 0.573 1.451 1.00 0.00 H new ATOM 0 HG23 ILE A 46 71.078 0.554 2.440 1.00 0.00 H new ATOM 0 HD11 ILE A 46 68.028 -1.089 -0.573 1.00 0.00 H new ATOM 0 HD12 ILE A 46 69.264 -0.359 -1.625 1.00 0.00 H new ATOM 0 HD13 ILE A 46 69.732 -1.578 -0.415 1.00 0.00 H new ATOM 709 N LYS A 47 73.165 2.715 0.508 1.00 0.00 N ATOM 710 CA LYS A 47 74.425 3.194 1.146 1.00 0.00 C ATOM 711 C LYS A 47 74.685 4.637 0.712 1.00 0.00 C ATOM 712 O LYS A 47 75.766 5.166 0.881 1.00 0.00 O ATOM 713 CB LYS A 47 75.591 2.307 0.705 1.00 0.00 C ATOM 714 CG LYS A 47 76.903 2.884 1.237 1.00 0.00 C ATOM 715 CD LYS A 47 77.966 1.785 1.272 1.00 0.00 C ATOM 716 CE LYS A 47 78.373 1.420 -0.158 1.00 0.00 C ATOM 717 NZ LYS A 47 78.653 -0.041 -0.235 1.00 0.00 N ATOM 0 H LYS A 47 73.283 2.260 -0.397 1.00 0.00 H new ATOM 0 HA LYS A 47 74.330 3.148 2.231 1.00 0.00 H new ATOM 0 HB2 LYS A 47 75.451 1.292 1.078 1.00 0.00 H new ATOM 0 HB3 LYS A 47 75.623 2.246 -0.383 1.00 0.00 H new ATOM 0 HG2 LYS A 47 77.235 3.706 0.603 1.00 0.00 H new ATOM 0 HG3 LYS A 47 76.754 3.293 2.236 1.00 0.00 H new ATOM 0 HD2 LYS A 47 78.836 2.124 1.833 1.00 0.00 H new ATOM 0 HD3 LYS A 47 77.578 0.906 1.786 1.00 0.00 H new ATOM 0 HE2 LYS A 47 77.577 1.686 -0.854 1.00 0.00 H new ATOM 0 HE3 LYS A 47 79.256 1.987 -0.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 78.930 -0.291 -1.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 79.426 -0.281 0.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 77.799 -0.573 0.029 1.00 0.00 H new ATOM 731 N LYS A 48 73.694 5.277 0.156 1.00 0.00 N ATOM 732 CA LYS A 48 73.863 6.687 -0.292 1.00 0.00 C ATOM 733 C LYS A 48 72.481 7.327 -0.409 1.00 0.00 C ATOM 734 O LYS A 48 72.040 7.684 -1.483 1.00 0.00 O ATOM 735 CB LYS A 48 74.564 6.719 -1.652 1.00 0.00 C ATOM 736 CG LYS A 48 75.967 7.309 -1.488 1.00 0.00 C ATOM 737 CD LYS A 48 75.874 8.832 -1.375 1.00 0.00 C ATOM 738 CE LYS A 48 77.232 9.399 -0.952 1.00 0.00 C ATOM 739 NZ LYS A 48 77.060 10.802 -0.481 1.00 0.00 N ATOM 0 H LYS A 48 72.769 4.881 -0.008 1.00 0.00 H new ATOM 0 HA LYS A 48 74.470 7.236 0.428 1.00 0.00 H new ATOM 0 HB2 LYS A 48 74.627 5.712 -2.065 1.00 0.00 H new ATOM 0 HB3 LYS A 48 73.986 7.317 -2.357 1.00 0.00 H new ATOM 0 HG2 LYS A 48 76.444 6.897 -0.599 1.00 0.00 H new ATOM 0 HG3 LYS A 48 76.589 7.035 -2.340 1.00 0.00 H new ATOM 0 HD2 LYS A 48 75.572 9.260 -2.331 1.00 0.00 H new ATOM 0 HD3 LYS A 48 75.111 9.107 -0.647 1.00 0.00 H new ATOM 0 HE2 LYS A 48 77.662 8.788 -0.158 1.00 0.00 H new ATOM 0 HE3 LYS A 48 77.928 9.368 -1.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 77.982 11.187 -0.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 76.668 11.381 -1.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 76.410 10.818 0.331 1.00 0.00 H new ATOM 753 N GLY A 49 71.796 7.456 0.696 1.00 0.00 N ATOM 754 CA GLY A 49 70.428 8.055 0.692 1.00 0.00 C ATOM 755 C GLY A 49 70.330 9.165 -0.358 1.00 0.00 C ATOM 756 O GLY A 49 69.984 8.924 -1.498 1.00 0.00 O ATOM 0 H GLY A 49 72.131 7.167 1.615 1.00 0.00 H new ATOM 0 HA2 GLY A 49 69.687 7.283 0.483 1.00 0.00 H new ATOM 0 HA3 GLY A 49 70.199 8.458 1.678 1.00 0.00 H new ATOM 760 N GLY A 50 70.623 10.379 0.016 1.00 0.00 N ATOM 761 CA GLY A 50 70.536 11.499 -0.963 1.00 0.00 C ATOM 762 C GLY A 50 69.074 11.924 -1.118 1.00 0.00 C ATOM 763 O GLY A 50 68.287 11.812 -0.201 1.00 0.00 O ATOM 0 H GLY A 50 70.919 10.644 0.956 1.00 0.00 H new ATOM 0 HA2 GLY A 50 71.137 12.342 -0.623 1.00 0.00 H new ATOM 0 HA3 GLY A 50 70.940 11.187 -1.926 1.00 0.00 H new ATOM 767 N SER A 51 68.702 12.408 -2.271 1.00 0.00 N ATOM 768 CA SER A 51 67.291 12.834 -2.473 1.00 0.00 C ATOM 769 C SER A 51 67.088 13.264 -3.928 1.00 0.00 C ATOM 770 O SER A 51 68.032 13.521 -4.647 1.00 0.00 O ATOM 771 CB SER A 51 66.975 14.007 -1.545 1.00 0.00 C ATOM 772 OG SER A 51 67.999 14.985 -1.660 1.00 0.00 O ATOM 0 H SER A 51 69.313 12.526 -3.079 1.00 0.00 H new ATOM 0 HA SER A 51 66.625 12.001 -2.246 1.00 0.00 H new ATOM 0 HB2 SER A 51 66.010 14.442 -1.805 1.00 0.00 H new ATOM 0 HB3 SER A 51 66.901 13.661 -0.514 1.00 0.00 H new ATOM 0 HG SER A 51 67.757 15.776 -1.134 1.00 0.00 H new ATOM 778 N GLY A 52 65.860 13.344 -4.363 1.00 0.00 N ATOM 779 CA GLY A 52 65.593 13.756 -5.771 1.00 0.00 C ATOM 780 C GLY A 52 64.590 12.789 -6.404 1.00 0.00 C ATOM 781 O GLY A 52 64.106 13.009 -7.497 1.00 0.00 O ATOM 0 H GLY A 52 65.030 13.142 -3.805 1.00 0.00 H new ATOM 0 HA2 GLY A 52 65.200 14.772 -5.795 1.00 0.00 H new ATOM 0 HA3 GLY A 52 66.521 13.760 -6.342 1.00 0.00 H new ATOM 785 N VAL A 53 64.275 11.719 -5.726 1.00 0.00 N ATOM 786 CA VAL A 53 63.304 10.739 -6.289 1.00 0.00 C ATOM 787 C VAL A 53 62.065 10.679 -5.391 1.00 0.00 C ATOM 788 O VAL A 53 60.980 10.363 -5.837 1.00 0.00 O ATOM 789 CB VAL A 53 63.956 9.358 -6.354 1.00 0.00 C ATOM 790 CG1 VAL A 53 63.004 8.372 -7.034 1.00 0.00 C ATOM 791 CG2 VAL A 53 65.253 9.447 -7.161 1.00 0.00 C ATOM 0 H VAL A 53 64.648 11.481 -4.807 1.00 0.00 H new ATOM 0 HA VAL A 53 63.011 11.049 -7.292 1.00 0.00 H new ATOM 0 HB VAL A 53 64.175 9.013 -5.343 1.00 0.00 H new ATOM 0 HG11 VAL A 53 63.471 7.388 -7.079 1.00 0.00 H new ATOM 0 HG12 VAL A 53 62.078 8.308 -6.463 1.00 0.00 H new ATOM 0 HG13 VAL A 53 62.784 8.716 -8.045 1.00 0.00 H new ATOM 0 HG21 VAL A 53 65.720 8.463 -7.209 1.00 0.00 H new ATOM 0 HG22 VAL A 53 65.030 9.792 -8.171 1.00 0.00 H new ATOM 0 HG23 VAL A 53 65.934 10.149 -6.679 1.00 0.00 H new ATOM 801 N TRP A 54 62.218 10.982 -4.131 1.00 0.00 N ATOM 802 CA TRP A 54 61.048 10.942 -3.210 1.00 0.00 C ATOM 803 C TRP A 54 60.905 12.292 -2.504 1.00 0.00 C ATOM 804 O TRP A 54 60.237 12.406 -1.496 1.00 0.00 O ATOM 805 CB TRP A 54 61.251 9.840 -2.169 1.00 0.00 C ATOM 806 CG TRP A 54 61.395 8.523 -2.859 1.00 0.00 C ATOM 807 CD1 TRP A 54 62.571 7.919 -3.143 1.00 0.00 C ATOM 808 CD2 TRP A 54 60.350 7.639 -3.359 1.00 0.00 C ATOM 809 NE1 TRP A 54 62.316 6.722 -3.786 1.00 0.00 N ATOM 810 CE2 TRP A 54 60.961 6.504 -3.941 1.00 0.00 C ATOM 811 CE3 TRP A 54 58.945 7.712 -3.362 1.00 0.00 C ATOM 812 CZ2 TRP A 54 60.205 5.477 -4.509 1.00 0.00 C ATOM 813 CZ3 TRP A 54 58.181 6.680 -3.932 1.00 0.00 C ATOM 814 CH2 TRP A 54 58.810 5.564 -4.503 1.00 0.00 C ATOM 0 H TRP A 54 63.101 11.255 -3.700 1.00 0.00 H new ATOM 0 HA TRP A 54 60.145 10.735 -3.784 1.00 0.00 H new ATOM 0 HB2 TRP A 54 62.139 10.048 -1.572 1.00 0.00 H new ATOM 0 HB3 TRP A 54 60.404 9.813 -1.483 1.00 0.00 H new ATOM 0 HD1 TRP A 54 63.550 8.308 -2.906 1.00 0.00 H new ATOM 0 HE1 TRP A 54 63.040 6.079 -4.107 1.00 0.00 H new ATOM 0 HE3 TRP A 54 58.451 8.566 -2.924 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 60.695 4.621 -4.950 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 57.103 6.746 -3.930 1.00 0.00 H new ATOM 0 HH2 TRP A 54 58.217 4.773 -4.938 1.00 0.00 H new ATOM 825 N GLY A 55 61.526 13.317 -3.022 1.00 0.00 N ATOM 826 CA GLY A 55 61.419 14.656 -2.376 1.00 0.00 C ATOM 827 C GLY A 55 62.818 15.223 -2.130 1.00 0.00 C ATOM 828 O GLY A 55 63.813 14.623 -2.485 1.00 0.00 O ATOM 0 H GLY A 55 62.102 13.285 -3.863 1.00 0.00 H new ATOM 0 HA2 GLY A 55 60.849 15.333 -3.012 1.00 0.00 H new ATOM 0 HA3 GLY A 55 60.879 14.573 -1.433 1.00 0.00 H new ATOM 832 N SER A 56 62.901 16.376 -1.525 1.00 0.00 N ATOM 833 CA SER A 56 64.237 16.982 -1.256 1.00 0.00 C ATOM 834 C SER A 56 64.804 16.404 0.043 1.00 0.00 C ATOM 835 O SER A 56 66.002 16.362 0.242 1.00 0.00 O ATOM 836 CB SER A 56 64.092 18.497 -1.121 1.00 0.00 C ATOM 837 OG SER A 56 65.371 19.104 -1.254 1.00 0.00 O ATOM 0 H SER A 56 62.103 16.925 -1.205 1.00 0.00 H new ATOM 0 HA SER A 56 64.913 16.756 -2.081 1.00 0.00 H new ATOM 0 HB2 SER A 56 63.414 18.879 -1.885 1.00 0.00 H new ATOM 0 HB3 SER A 56 63.656 18.748 -0.154 1.00 0.00 H new ATOM 0 HG SER A 56 65.282 20.076 -1.170 1.00 0.00 H new ATOM 843 N VAL A 57 63.954 15.954 0.924 1.00 0.00 N ATOM 844 CA VAL A 57 64.444 15.374 2.205 1.00 0.00 C ATOM 845 C VAL A 57 65.562 14.364 1.905 1.00 0.00 C ATOM 846 O VAL A 57 65.304 13.310 1.360 1.00 0.00 O ATOM 847 CB VAL A 57 63.288 14.660 2.910 1.00 0.00 C ATOM 848 CG1 VAL A 57 62.578 13.737 1.918 1.00 0.00 C ATOM 849 CG2 VAL A 57 63.832 13.833 4.076 1.00 0.00 C ATOM 0 H VAL A 57 62.940 15.963 0.812 1.00 0.00 H new ATOM 0 HA VAL A 57 64.829 16.166 2.847 1.00 0.00 H new ATOM 0 HB VAL A 57 62.582 15.399 3.288 1.00 0.00 H new ATOM 0 HG11 VAL A 57 61.755 13.228 2.420 1.00 0.00 H new ATOM 0 HG12 VAL A 57 62.189 14.326 1.088 1.00 0.00 H new ATOM 0 HG13 VAL A 57 63.284 12.998 1.539 1.00 0.00 H new ATOM 0 HG21 VAL A 57 63.008 13.325 4.577 1.00 0.00 H new ATOM 0 HG22 VAL A 57 64.539 13.094 3.699 1.00 0.00 H new ATOM 0 HG23 VAL A 57 64.337 14.490 4.784 1.00 0.00 H new ATOM 859 N PRO A 58 66.771 14.718 2.264 1.00 0.00 N ATOM 860 CA PRO A 58 67.948 13.859 2.037 1.00 0.00 C ATOM 861 C PRO A 58 67.996 12.719 3.059 1.00 0.00 C ATOM 862 O PRO A 58 67.539 12.853 4.176 1.00 0.00 O ATOM 863 CB PRO A 58 69.132 14.811 2.225 1.00 0.00 C ATOM 864 CG PRO A 58 68.613 15.986 3.086 1.00 0.00 C ATOM 865 CD PRO A 58 67.081 16.000 2.929 1.00 0.00 C ATOM 0 HA PRO A 58 67.941 13.381 1.057 1.00 0.00 H new ATOM 0 HB2 PRO A 58 69.963 14.306 2.718 1.00 0.00 H new ATOM 0 HB3 PRO A 58 69.501 15.167 1.263 1.00 0.00 H new ATOM 0 HG2 PRO A 58 68.895 15.855 4.131 1.00 0.00 H new ATOM 0 HG3 PRO A 58 69.046 16.930 2.755 1.00 0.00 H new ATOM 0 HD2 PRO A 58 66.583 16.078 3.895 1.00 0.00 H new ATOM 0 HD3 PRO A 58 66.750 16.849 2.331 1.00 0.00 H new ATOM 873 N MET A 59 68.553 11.601 2.680 1.00 0.00 N ATOM 874 CA MET A 59 68.642 10.448 3.620 1.00 0.00 C ATOM 875 C MET A 59 70.114 10.219 3.983 1.00 0.00 C ATOM 876 O MET A 59 70.987 10.396 3.157 1.00 0.00 O ATOM 877 CB MET A 59 68.067 9.198 2.941 1.00 0.00 C ATOM 878 CG MET A 59 68.382 7.953 3.775 1.00 0.00 C ATOM 879 SD MET A 59 68.418 6.500 2.696 1.00 0.00 S ATOM 880 CE MET A 59 69.395 5.430 3.780 1.00 0.00 C ATOM 0 H MET A 59 68.952 11.436 1.756 1.00 0.00 H new ATOM 0 HA MET A 59 68.073 10.654 4.526 1.00 0.00 H new ATOM 0 HB2 MET A 59 66.988 9.303 2.823 1.00 0.00 H new ATOM 0 HB3 MET A 59 68.488 9.092 1.941 1.00 0.00 H new ATOM 0 HG2 MET A 59 69.343 8.071 4.276 1.00 0.00 H new ATOM 0 HG3 MET A 59 67.630 7.823 4.553 1.00 0.00 H new ATOM 0 HE1 MET A 59 69.180 4.386 3.551 1.00 0.00 H new ATOM 0 HE2 MET A 59 70.456 5.625 3.624 1.00 0.00 H new ATOM 0 HE3 MET A 59 69.138 5.633 4.820 1.00 0.00 H new ATOM 890 N PRO A 60 70.347 9.843 5.215 1.00 0.00 N ATOM 891 CA PRO A 60 71.707 9.594 5.723 1.00 0.00 C ATOM 892 C PRO A 60 72.215 8.217 5.269 1.00 0.00 C ATOM 893 O PRO A 60 71.492 7.243 5.336 1.00 0.00 O ATOM 894 CB PRO A 60 71.531 9.635 7.244 1.00 0.00 C ATOM 895 CG PRO A 60 70.038 9.336 7.521 1.00 0.00 C ATOM 896 CD PRO A 60 69.278 9.628 6.215 1.00 0.00 C ATOM 0 HA PRO A 60 72.437 10.317 5.359 1.00 0.00 H new ATOM 0 HB2 PRO A 60 72.171 8.898 7.729 1.00 0.00 H new ATOM 0 HB3 PRO A 60 71.812 10.611 7.641 1.00 0.00 H new ATOM 0 HG2 PRO A 60 69.901 8.298 7.824 1.00 0.00 H new ATOM 0 HG3 PRO A 60 69.663 9.958 8.334 1.00 0.00 H new ATOM 0 HD2 PRO A 60 68.632 8.796 5.935 1.00 0.00 H new ATOM 0 HD3 PRO A 60 68.641 10.507 6.313 1.00 0.00 H new ATOM 904 N PRO A 61 73.449 8.180 4.825 1.00 0.00 N ATOM 905 CA PRO A 61 74.089 6.937 4.356 1.00 0.00 C ATOM 906 C PRO A 61 74.559 6.105 5.553 1.00 0.00 C ATOM 907 O PRO A 61 75.263 6.588 6.416 1.00 0.00 O ATOM 908 CB PRO A 61 75.284 7.434 3.541 1.00 0.00 C ATOM 909 CG PRO A 61 75.597 8.861 4.050 1.00 0.00 C ATOM 910 CD PRO A 61 74.320 9.370 4.745 1.00 0.00 C ATOM 0 HA PRO A 61 73.421 6.299 3.777 1.00 0.00 H new ATOM 0 HB2 PRO A 61 76.144 6.777 3.673 1.00 0.00 H new ATOM 0 HB3 PRO A 61 75.051 7.444 2.476 1.00 0.00 H new ATOM 0 HG2 PRO A 61 76.437 8.849 4.744 1.00 0.00 H new ATOM 0 HG3 PRO A 61 75.875 9.515 3.224 1.00 0.00 H new ATOM 0 HD2 PRO A 61 74.539 9.770 5.735 1.00 0.00 H new ATOM 0 HD3 PRO A 61 73.849 10.170 4.175 1.00 0.00 H new ATOM 918 N GLN A 62 74.175 4.860 5.613 1.00 0.00 N ATOM 919 CA GLN A 62 74.604 4.008 6.757 1.00 0.00 C ATOM 920 C GLN A 62 75.852 3.212 6.368 1.00 0.00 C ATOM 921 O GLN A 62 76.313 3.269 5.246 1.00 0.00 O ATOM 922 CB GLN A 62 73.474 3.045 7.121 1.00 0.00 C ATOM 923 CG GLN A 62 72.133 3.778 7.037 1.00 0.00 C ATOM 924 CD GLN A 62 72.200 5.064 7.862 1.00 0.00 C ATOM 925 OE1 GLN A 62 73.078 5.227 8.685 1.00 0.00 O ATOM 926 NE2 GLN A 62 71.300 5.991 7.674 1.00 0.00 N ATOM 0 H GLN A 62 73.585 4.397 4.922 1.00 0.00 H new ATOM 0 HA GLN A 62 74.836 4.640 7.614 1.00 0.00 H new ATOM 0 HB2 GLN A 62 73.477 2.191 6.444 1.00 0.00 H new ATOM 0 HB3 GLN A 62 73.625 2.654 8.127 1.00 0.00 H new ATOM 0 HG2 GLN A 62 71.899 4.012 5.998 1.00 0.00 H new ATOM 0 HG3 GLN A 62 71.333 3.137 7.408 1.00 0.00 H new ATOM 0 HE21 GLN A 62 70.563 5.853 6.983 1.00 0.00 H new ATOM 0 HE22 GLN A 62 71.334 6.853 8.219 1.00 0.00 H new ATOM 935 N ASN A 63 76.405 2.471 7.290 1.00 0.00 N ATOM 936 CA ASN A 63 77.623 1.674 6.975 1.00 0.00 C ATOM 937 C ASN A 63 77.216 0.260 6.560 1.00 0.00 C ATOM 938 O ASN A 63 77.523 -0.708 7.228 1.00 0.00 O ATOM 939 CB ASN A 63 78.523 1.609 8.212 1.00 0.00 C ATOM 940 CG ASN A 63 79.414 2.852 8.261 1.00 0.00 C ATOM 941 OD1 ASN A 63 80.591 2.781 7.968 1.00 0.00 O ATOM 942 ND2 ASN A 63 78.900 3.996 8.621 1.00 0.00 N ATOM 0 H ASN A 63 76.065 2.384 8.248 1.00 0.00 H new ATOM 0 HA ASN A 63 78.166 2.147 6.157 1.00 0.00 H new ATOM 0 HB2 ASN A 63 77.915 1.549 9.115 1.00 0.00 H new ATOM 0 HB3 ASN A 63 79.137 0.709 8.181 1.00 0.00 H new ATOM 0 HD21 ASN A 63 79.486 4.830 8.656 1.00 0.00 H new ATOM 0 HD22 ASN A 63 77.912 4.056 8.867 1.00 0.00 H new ATOM 949 N VAL A 64 76.525 0.132 5.460 1.00 0.00 N ATOM 950 CA VAL A 64 76.097 -1.219 4.999 1.00 0.00 C ATOM 951 C VAL A 64 77.073 -1.732 3.941 1.00 0.00 C ATOM 952 O VAL A 64 77.687 -0.966 3.223 1.00 0.00 O ATOM 953 CB VAL A 64 74.695 -1.128 4.390 1.00 0.00 C ATOM 954 CG1 VAL A 64 73.660 -0.990 5.507 1.00 0.00 C ATOM 955 CG2 VAL A 64 74.619 0.093 3.471 1.00 0.00 C ATOM 0 H VAL A 64 76.238 0.906 4.860 1.00 0.00 H new ATOM 0 HA VAL A 64 76.086 -1.904 5.847 1.00 0.00 H new ATOM 0 HB VAL A 64 74.489 -2.031 3.815 1.00 0.00 H new ATOM 0 HG11 VAL A 64 72.662 -0.925 5.073 1.00 0.00 H new ATOM 0 HG12 VAL A 64 73.715 -1.859 6.163 1.00 0.00 H new ATOM 0 HG13 VAL A 64 73.864 -0.087 6.083 1.00 0.00 H new ATOM 0 HG21 VAL A 64 73.622 0.160 3.036 1.00 0.00 H new ATOM 0 HG22 VAL A 64 74.825 0.995 4.047 1.00 0.00 H new ATOM 0 HG23 VAL A 64 75.356 -0.005 2.674 1.00 0.00 H new ATOM 965 N THR A 65 77.218 -3.023 3.833 1.00 0.00 N ATOM 966 CA THR A 65 78.148 -3.587 2.817 1.00 0.00 C ATOM 967 C THR A 65 77.341 -4.054 1.604 1.00 0.00 C ATOM 968 O THR A 65 76.155 -3.811 1.507 1.00 0.00 O ATOM 969 CB THR A 65 78.905 -4.775 3.416 1.00 0.00 C ATOM 970 OG1 THR A 65 78.039 -5.900 3.486 1.00 0.00 O ATOM 971 CG2 THR A 65 79.393 -4.417 4.822 1.00 0.00 C ATOM 0 H THR A 65 76.732 -3.713 4.406 1.00 0.00 H new ATOM 0 HA THR A 65 78.863 -2.823 2.511 1.00 0.00 H new ATOM 0 HB THR A 65 79.762 -5.014 2.786 1.00 0.00 H new ATOM 0 HG1 THR A 65 78.523 -6.662 3.868 1.00 0.00 H new ATOM 0 HG21 THR A 65 79.932 -5.264 5.247 1.00 0.00 H new ATOM 0 HG22 THR A 65 80.057 -3.555 4.768 1.00 0.00 H new ATOM 0 HG23 THR A 65 78.538 -4.177 5.454 1.00 0.00 H new ATOM 979 N ASP A 66 77.973 -4.717 0.676 1.00 0.00 N ATOM 980 CA ASP A 66 77.240 -5.192 -0.527 1.00 0.00 C ATOM 981 C ASP A 66 76.287 -6.323 -0.136 1.00 0.00 C ATOM 982 O ASP A 66 75.268 -6.532 -0.763 1.00 0.00 O ATOM 983 CB ASP A 66 78.241 -5.704 -1.564 1.00 0.00 C ATOM 984 CG ASP A 66 77.907 -5.117 -2.938 1.00 0.00 C ATOM 985 OD1 ASP A 66 76.995 -4.310 -3.012 1.00 0.00 O ATOM 986 OD2 ASP A 66 78.569 -5.487 -3.894 1.00 0.00 O ATOM 0 H ASP A 66 78.966 -4.950 0.700 1.00 0.00 H new ATOM 0 HA ASP A 66 76.667 -4.367 -0.950 1.00 0.00 H new ATOM 0 HB2 ASP A 66 79.254 -5.424 -1.275 1.00 0.00 H new ATOM 0 HB3 ASP A 66 78.211 -6.793 -1.606 1.00 0.00 H new ATOM 991 N ALA A 67 76.610 -7.055 0.893 1.00 0.00 N ATOM 992 CA ALA A 67 75.720 -8.171 1.319 1.00 0.00 C ATOM 993 C ALA A 67 74.463 -7.602 1.977 1.00 0.00 C ATOM 994 O ALA A 67 73.359 -8.022 1.695 1.00 0.00 O ATOM 995 CB ALA A 67 76.461 -9.060 2.320 1.00 0.00 C ATOM 0 H ALA A 67 77.451 -6.929 1.457 1.00 0.00 H new ATOM 0 HA ALA A 67 75.437 -8.761 0.447 1.00 0.00 H new ATOM 0 HB1 ALA A 67 75.810 -9.877 2.632 1.00 0.00 H new ATOM 0 HB2 ALA A 67 77.356 -9.468 1.851 1.00 0.00 H new ATOM 0 HB3 ALA A 67 76.745 -8.469 3.191 1.00 0.00 H new ATOM 1001 N GLU A 68 74.620 -6.652 2.859 1.00 0.00 N ATOM 1002 CA GLU A 68 73.435 -6.064 3.536 1.00 0.00 C ATOM 1003 C GLU A 68 72.599 -5.280 2.525 1.00 0.00 C ATOM 1004 O GLU A 68 71.386 -5.260 2.588 1.00 0.00 O ATOM 1005 CB GLU A 68 73.896 -5.127 4.654 1.00 0.00 C ATOM 1006 CG GLU A 68 73.809 -5.854 5.999 1.00 0.00 C ATOM 1007 CD GLU A 68 72.551 -5.404 6.744 1.00 0.00 C ATOM 1008 OE1 GLU A 68 71.768 -4.675 6.158 1.00 0.00 O ATOM 1009 OE2 GLU A 68 72.392 -5.797 7.887 1.00 0.00 O ATOM 0 H GLU A 68 75.519 -6.259 3.138 1.00 0.00 H new ATOM 0 HA GLU A 68 72.829 -6.865 3.960 1.00 0.00 H new ATOM 0 HB2 GLU A 68 74.920 -4.801 4.471 1.00 0.00 H new ATOM 0 HB3 GLU A 68 73.275 -4.232 4.672 1.00 0.00 H new ATOM 0 HG2 GLU A 68 73.784 -6.932 5.840 1.00 0.00 H new ATOM 0 HG3 GLU A 68 74.695 -5.640 6.598 1.00 0.00 H new ATOM 1016 N ALA A 69 73.237 -4.634 1.590 1.00 0.00 N ATOM 1017 CA ALA A 69 72.478 -3.852 0.576 1.00 0.00 C ATOM 1018 C ALA A 69 71.819 -4.811 -0.417 1.00 0.00 C ATOM 1019 O ALA A 69 70.771 -4.531 -0.964 1.00 0.00 O ATOM 1020 CB ALA A 69 73.437 -2.923 -0.171 1.00 0.00 C ATOM 0 H ALA A 69 74.251 -4.614 1.484 1.00 0.00 H new ATOM 0 HA ALA A 69 71.710 -3.259 1.072 1.00 0.00 H new ATOM 0 HB1 ALA A 69 72.883 -2.349 -0.914 1.00 0.00 H new ATOM 0 HB2 ALA A 69 73.908 -2.241 0.537 1.00 0.00 H new ATOM 0 HB3 ALA A 69 74.204 -3.516 -0.669 1.00 0.00 H new ATOM 1026 N LYS A 70 72.428 -5.940 -0.656 1.00 0.00 N ATOM 1027 CA LYS A 70 71.843 -6.916 -1.616 1.00 0.00 C ATOM 1028 C LYS A 70 70.619 -7.588 -0.991 1.00 0.00 C ATOM 1029 O LYS A 70 69.654 -7.885 -1.666 1.00 0.00 O ATOM 1030 CB LYS A 70 72.885 -7.982 -1.957 1.00 0.00 C ATOM 1031 CG LYS A 70 73.897 -7.409 -2.950 1.00 0.00 C ATOM 1032 CD LYS A 70 73.368 -7.584 -4.373 1.00 0.00 C ATOM 1033 CE LYS A 70 74.093 -8.748 -5.048 1.00 0.00 C ATOM 1034 NZ LYS A 70 74.260 -8.454 -6.498 1.00 0.00 N ATOM 0 H LYS A 70 73.307 -6.228 -0.227 1.00 0.00 H new ATOM 0 HA LYS A 70 71.543 -6.391 -2.523 1.00 0.00 H new ATOM 0 HB2 LYS A 70 73.395 -8.310 -1.051 1.00 0.00 H new ATOM 0 HB3 LYS A 70 72.397 -8.859 -2.384 1.00 0.00 H new ATOM 0 HG2 LYS A 70 74.069 -6.353 -2.742 1.00 0.00 H new ATOM 0 HG3 LYS A 70 74.856 -7.916 -2.842 1.00 0.00 H new ATOM 0 HD2 LYS A 70 72.295 -7.773 -4.352 1.00 0.00 H new ATOM 0 HD3 LYS A 70 73.519 -6.668 -4.944 1.00 0.00 H new ATOM 0 HE2 LYS A 70 75.067 -8.903 -4.583 1.00 0.00 H new ATOM 0 HE3 LYS A 70 73.526 -9.670 -4.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 74.753 -9.246 -6.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 73.325 -8.327 -6.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 74.818 -7.584 -6.614 1.00 0.00 H new ATOM 1048 N GLN A 71 70.651 -7.838 0.289 1.00 0.00 N ATOM 1049 CA GLN A 71 69.491 -8.496 0.945 1.00 0.00 C ATOM 1050 C GLN A 71 68.388 -7.467 1.188 1.00 0.00 C ATOM 1051 O GLN A 71 67.226 -7.804 1.264 1.00 0.00 O ATOM 1052 CB GLN A 71 69.938 -9.108 2.279 1.00 0.00 C ATOM 1053 CG GLN A 71 68.717 -9.394 3.160 1.00 0.00 C ATOM 1054 CD GLN A 71 68.413 -8.167 4.026 1.00 0.00 C ATOM 1055 OE1 GLN A 71 69.302 -7.603 4.633 1.00 0.00 O ATOM 1056 NE2 GLN A 71 67.186 -7.729 4.109 1.00 0.00 N ATOM 0 H GLN A 71 71.431 -7.614 0.907 1.00 0.00 H new ATOM 0 HA GLN A 71 69.106 -9.285 0.299 1.00 0.00 H new ATOM 0 HB2 GLN A 71 70.490 -10.030 2.098 1.00 0.00 H new ATOM 0 HB3 GLN A 71 70.616 -8.426 2.793 1.00 0.00 H new ATOM 0 HG2 GLN A 71 67.855 -9.636 2.538 1.00 0.00 H new ATOM 0 HG3 GLN A 71 68.907 -10.261 3.793 1.00 0.00 H new ATOM 0 HE21 GLN A 71 66.440 -8.202 3.599 1.00 0.00 H new ATOM 0 HE22 GLN A 71 66.973 -6.913 4.683 1.00 0.00 H new ATOM 1065 N LEU A 72 68.736 -6.219 1.308 1.00 0.00 N ATOM 1066 CA LEU A 72 67.690 -5.188 1.540 1.00 0.00 C ATOM 1067 C LEU A 72 67.029 -4.839 0.209 1.00 0.00 C ATOM 1068 O LEU A 72 65.879 -4.450 0.160 1.00 0.00 O ATOM 1069 CB LEU A 72 68.324 -3.938 2.149 1.00 0.00 C ATOM 1070 CG LEU A 72 68.494 -4.143 3.655 1.00 0.00 C ATOM 1071 CD1 LEU A 72 69.437 -3.074 4.211 1.00 0.00 C ATOM 1072 CD2 LEU A 72 67.131 -4.027 4.341 1.00 0.00 C ATOM 0 H LEU A 72 69.693 -5.869 1.256 1.00 0.00 H new ATOM 0 HA LEU A 72 66.939 -5.575 2.229 1.00 0.00 H new ATOM 0 HB2 LEU A 72 69.291 -3.743 1.685 1.00 0.00 H new ATOM 0 HB3 LEU A 72 67.697 -3.067 1.957 1.00 0.00 H new ATOM 0 HG LEU A 72 68.913 -5.131 3.843 1.00 0.00 H new ATOM 0 HD11 LEU A 72 69.559 -3.219 5.284 1.00 0.00 H new ATOM 0 HD12 LEU A 72 70.407 -3.155 3.721 1.00 0.00 H new ATOM 0 HD13 LEU A 72 69.017 -2.086 4.024 1.00 0.00 H new ATOM 0 HD21 LEU A 72 67.250 -4.173 5.415 1.00 0.00 H new ATOM 0 HD22 LEU A 72 66.712 -3.038 4.154 1.00 0.00 H new ATOM 0 HD23 LEU A 72 66.458 -4.787 3.944 1.00 0.00 H new ATOM 1084 N ALA A 73 67.738 -4.987 -0.875 1.00 0.00 N ATOM 1085 CA ALA A 73 67.134 -4.678 -2.198 1.00 0.00 C ATOM 1086 C ALA A 73 66.399 -5.917 -2.702 1.00 0.00 C ATOM 1087 O ALA A 73 65.380 -5.825 -3.358 1.00 0.00 O ATOM 1088 CB ALA A 73 68.232 -4.290 -3.192 1.00 0.00 C ATOM 0 H ALA A 73 68.706 -5.307 -0.901 1.00 0.00 H new ATOM 0 HA ALA A 73 66.437 -3.846 -2.101 1.00 0.00 H new ATOM 0 HB1 ALA A 73 67.784 -4.065 -4.160 1.00 0.00 H new ATOM 0 HB2 ALA A 73 68.762 -3.411 -2.824 1.00 0.00 H new ATOM 0 HB3 ALA A 73 68.933 -5.117 -3.301 1.00 0.00 H new ATOM 1094 N GLN A 74 66.900 -7.081 -2.386 1.00 0.00 N ATOM 1095 CA GLN A 74 66.222 -8.326 -2.832 1.00 0.00 C ATOM 1096 C GLN A 74 64.996 -8.555 -1.945 1.00 0.00 C ATOM 1097 O GLN A 74 63.975 -9.041 -2.388 1.00 0.00 O ATOM 1098 CB GLN A 74 67.199 -9.513 -2.728 1.00 0.00 C ATOM 1099 CG GLN A 74 67.159 -10.126 -1.324 1.00 0.00 C ATOM 1100 CD GLN A 74 68.141 -11.297 -1.245 1.00 0.00 C ATOM 1101 OE1 GLN A 74 68.640 -11.614 -0.183 1.00 0.00 O ATOM 1102 NE2 GLN A 74 68.442 -11.960 -2.328 1.00 0.00 N ATOM 0 H GLN A 74 67.749 -7.221 -1.838 1.00 0.00 H new ATOM 0 HA GLN A 74 65.905 -8.236 -3.871 1.00 0.00 H new ATOM 0 HB2 GLN A 74 66.940 -10.270 -3.468 1.00 0.00 H new ATOM 0 HB3 GLN A 74 68.211 -9.178 -2.955 1.00 0.00 H new ATOM 0 HG2 GLN A 74 67.416 -9.372 -0.580 1.00 0.00 H new ATOM 0 HG3 GLN A 74 66.150 -10.469 -1.095 1.00 0.00 H new ATOM 0 HE21 GLN A 74 68.024 -11.696 -3.220 1.00 0.00 H new ATOM 0 HE22 GLN A 74 69.095 -12.742 -2.282 1.00 0.00 H new ATOM 1111 N TRP A 75 65.095 -8.195 -0.695 1.00 0.00 N ATOM 1112 CA TRP A 75 63.940 -8.375 0.228 1.00 0.00 C ATOM 1113 C TRP A 75 62.919 -7.257 -0.015 1.00 0.00 C ATOM 1114 O TRP A 75 61.732 -7.500 -0.109 1.00 0.00 O ATOM 1115 CB TRP A 75 64.444 -8.324 1.679 1.00 0.00 C ATOM 1116 CG TRP A 75 63.325 -7.969 2.609 1.00 0.00 C ATOM 1117 CD1 TRP A 75 62.162 -8.652 2.731 1.00 0.00 C ATOM 1118 CD2 TRP A 75 63.247 -6.858 3.545 1.00 0.00 C ATOM 1119 NE1 TRP A 75 61.377 -8.025 3.682 1.00 0.00 N ATOM 1120 CE2 TRP A 75 62.002 -6.915 4.212 1.00 0.00 C ATOM 1121 CE3 TRP A 75 64.130 -5.814 3.874 1.00 0.00 C ATOM 1122 CZ2 TRP A 75 61.645 -5.969 5.174 1.00 0.00 C ATOM 1123 CZ3 TRP A 75 63.776 -4.861 4.841 1.00 0.00 C ATOM 1124 CH2 TRP A 75 62.535 -4.937 5.489 1.00 0.00 C ATOM 0 H TRP A 75 65.927 -7.783 -0.273 1.00 0.00 H new ATOM 0 HA TRP A 75 63.463 -9.338 0.047 1.00 0.00 H new ATOM 0 HB2 TRP A 75 64.865 -9.290 1.958 1.00 0.00 H new ATOM 0 HB3 TRP A 75 65.245 -7.590 1.767 1.00 0.00 H new ATOM 0 HD1 TRP A 75 61.892 -9.539 2.178 1.00 0.00 H new ATOM 0 HE1 TRP A 75 60.449 -8.345 3.958 1.00 0.00 H new ATOM 0 HE3 TRP A 75 65.087 -5.745 3.379 1.00 0.00 H new ATOM 0 HZ2 TRP A 75 60.689 -6.033 5.672 1.00 0.00 H new ATOM 0 HZ3 TRP A 75 64.463 -4.065 5.087 1.00 0.00 H new ATOM 0 HH2 TRP A 75 62.267 -4.199 6.231 1.00 0.00 H new ATOM 1135 N ILE A 76 63.367 -6.033 -0.116 1.00 0.00 N ATOM 1136 CA ILE A 76 62.413 -4.912 -0.347 1.00 0.00 C ATOM 1137 C ILE A 76 61.683 -5.130 -1.675 1.00 0.00 C ATOM 1138 O ILE A 76 60.485 -4.950 -1.771 1.00 0.00 O ATOM 1139 CB ILE A 76 63.178 -3.587 -0.387 1.00 0.00 C ATOM 1140 CG1 ILE A 76 63.628 -3.221 1.030 1.00 0.00 C ATOM 1141 CG2 ILE A 76 62.266 -2.485 -0.930 1.00 0.00 C ATOM 1142 CD1 ILE A 76 64.730 -2.162 0.964 1.00 0.00 C ATOM 0 H ILE A 76 64.348 -5.763 -0.049 1.00 0.00 H new ATOM 0 HA ILE A 76 61.685 -4.880 0.464 1.00 0.00 H new ATOM 0 HB ILE A 76 64.049 -3.689 -1.035 1.00 0.00 H new ATOM 0 HG12 ILE A 76 62.782 -2.844 1.605 1.00 0.00 H new ATOM 0 HG13 ILE A 76 63.994 -4.109 1.546 1.00 0.00 H new ATOM 0 HG21 ILE A 76 62.812 -1.542 -0.958 1.00 0.00 H new ATOM 0 HG22 ILE A 76 61.940 -2.746 -1.937 1.00 0.00 H new ATOM 0 HG23 ILE A 76 61.395 -2.381 -0.282 1.00 0.00 H new ATOM 0 HD11 ILE A 76 65.048 -1.904 1.974 1.00 0.00 H new ATOM 0 HD12 ILE A 76 65.580 -2.555 0.406 1.00 0.00 H new ATOM 0 HD13 ILE A 76 64.349 -1.271 0.465 1.00 0.00 H new ATOM 1154 N LEU A 77 62.391 -5.524 -2.698 1.00 0.00 N ATOM 1155 CA LEU A 77 61.729 -5.758 -4.012 1.00 0.00 C ATOM 1156 C LEU A 77 60.812 -6.978 -3.902 1.00 0.00 C ATOM 1157 O LEU A 77 59.732 -7.006 -4.455 1.00 0.00 O ATOM 1158 CB LEU A 77 62.791 -6.012 -5.085 1.00 0.00 C ATOM 1159 CG LEU A 77 63.282 -4.675 -5.641 1.00 0.00 C ATOM 1160 CD1 LEU A 77 64.338 -4.924 -6.719 1.00 0.00 C ATOM 1161 CD2 LEU A 77 62.103 -3.913 -6.249 1.00 0.00 C ATOM 0 H LEU A 77 63.397 -5.694 -2.681 1.00 0.00 H new ATOM 0 HA LEU A 77 61.143 -4.881 -4.287 1.00 0.00 H new ATOM 0 HB2 LEU A 77 63.626 -6.571 -4.661 1.00 0.00 H new ATOM 0 HB3 LEU A 77 62.375 -6.621 -5.887 1.00 0.00 H new ATOM 0 HG LEU A 77 63.720 -4.087 -4.835 1.00 0.00 H new ATOM 0 HD11 LEU A 77 64.687 -3.970 -7.114 1.00 0.00 H new ATOM 0 HD12 LEU A 77 65.179 -5.467 -6.286 1.00 0.00 H new ATOM 0 HD13 LEU A 77 63.902 -5.513 -7.526 1.00 0.00 H new ATOM 0 HD21 LEU A 77 62.452 -2.960 -6.646 1.00 0.00 H new ATOM 0 HD22 LEU A 77 61.665 -4.503 -7.054 1.00 0.00 H new ATOM 0 HD23 LEU A 77 61.351 -3.733 -5.481 1.00 0.00 H new ATOM 1173 N SER A 78 61.234 -7.984 -3.187 1.00 0.00 N ATOM 1174 CA SER A 78 60.382 -9.197 -3.039 1.00 0.00 C ATOM 1175 C SER A 78 59.123 -8.834 -2.249 1.00 0.00 C ATOM 1176 O SER A 78 58.130 -9.532 -2.291 1.00 0.00 O ATOM 1177 CB SER A 78 61.158 -10.283 -2.291 1.00 0.00 C ATOM 1178 OG SER A 78 62.161 -10.815 -3.147 1.00 0.00 O ATOM 0 H SER A 78 62.130 -8.019 -2.700 1.00 0.00 H new ATOM 0 HA SER A 78 60.103 -9.569 -4.025 1.00 0.00 H new ATOM 0 HB2 SER A 78 61.613 -9.868 -1.392 1.00 0.00 H new ATOM 0 HB3 SER A 78 60.481 -11.074 -1.969 1.00 0.00 H new ATOM 0 HG SER A 78 63.033 -10.440 -2.902 1.00 0.00 H new ATOM 1184 N ILE A 79 59.157 -7.744 -1.532 1.00 0.00 N ATOM 1185 CA ILE A 79 57.962 -7.334 -0.741 1.00 0.00 C ATOM 1186 C ILE A 79 56.951 -6.650 -1.664 1.00 0.00 C ATOM 1187 O ILE A 79 57.075 -5.483 -1.981 1.00 0.00 O ATOM 1188 CB ILE A 79 58.387 -6.361 0.360 1.00 0.00 C ATOM 1189 CG1 ILE A 79 59.156 -7.124 1.441 1.00 0.00 C ATOM 1190 CG2 ILE A 79 57.146 -5.714 0.978 1.00 0.00 C ATOM 1191 CD1 ILE A 79 59.756 -6.131 2.438 1.00 0.00 C ATOM 0 H ILE A 79 59.960 -7.120 -1.460 1.00 0.00 H new ATOM 0 HA ILE A 79 57.505 -8.215 -0.290 1.00 0.00 H new ATOM 0 HB ILE A 79 59.025 -5.586 -0.065 1.00 0.00 H new ATOM 0 HG12 ILE A 79 58.490 -7.815 1.957 1.00 0.00 H new ATOM 0 HG13 ILE A 79 59.946 -7.722 0.987 1.00 0.00 H new ATOM 0 HG21 ILE A 79 57.450 -5.021 1.762 1.00 0.00 H new ATOM 0 HG22 ILE A 79 56.596 -5.173 0.208 1.00 0.00 H new ATOM 0 HG23 ILE A 79 56.507 -6.487 1.404 1.00 0.00 H new ATOM 0 HD11 ILE A 79 60.304 -6.674 3.208 1.00 0.00 H new ATOM 0 HD12 ILE A 79 60.436 -5.457 1.916 1.00 0.00 H new ATOM 0 HD13 ILE A 79 58.957 -5.553 2.901 1.00 0.00 H new ATOM 1203 N LYS A 80 55.953 -7.366 -2.098 1.00 0.00 N ATOM 1204 CA LYS A 80 54.935 -6.758 -2.999 1.00 0.00 C ATOM 1205 C LYS A 80 53.949 -5.933 -2.171 1.00 0.00 C ATOM 1206 O LYS A 80 54.043 -4.717 -2.214 1.00 0.00 O ATOM 1207 CB LYS A 80 54.180 -7.868 -3.735 1.00 0.00 C ATOM 1208 CG LYS A 80 53.760 -7.370 -5.119 1.00 0.00 C ATOM 1209 CD LYS A 80 53.408 -8.566 -6.005 1.00 0.00 C ATOM 1210 CE LYS A 80 54.463 -8.717 -7.102 1.00 0.00 C ATOM 1211 NZ LYS A 80 53.902 -9.517 -8.226 1.00 0.00 N ATOM 1212 OXT LYS A 80 53.117 -6.529 -1.510 1.00 0.00 O ATOM 0 H LYS A 80 55.798 -8.347 -1.868 1.00 0.00 H new ATOM 0 HA LYS A 80 55.430 -6.111 -3.724 1.00 0.00 H new ATOM 0 HB2 LYS A 80 54.813 -8.750 -3.831 1.00 0.00 H new ATOM 0 HB3 LYS A 80 53.302 -8.166 -3.162 1.00 0.00 H new ATOM 0 HG2 LYS A 80 52.902 -6.703 -5.033 1.00 0.00 H new ATOM 0 HG3 LYS A 80 54.568 -6.794 -5.571 1.00 0.00 H new ATOM 0 HD2 LYS A 80 53.359 -9.475 -5.405 1.00 0.00 H new ATOM 0 HD3 LYS A 80 52.423 -8.425 -6.450 1.00 0.00 H new ATOM 0 HE2 LYS A 80 54.773 -7.735 -7.460 1.00 0.00 H new ATOM 0 HE3 LYS A 80 55.351 -9.206 -6.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 54.620 -9.619 -8.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 53.627 -10.458 -7.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 53.067 -9.033 -8.614 1.00 0.00 H new