USER MOD reduce.3.24.130724 H: found=0, std=0, add=691, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 693 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: I 7 MET CE :methyl -125:sc= -6.54! (180deg=-7.19!) USER MOD Set 1.2: I 8 MET CE :methyl -121:sc= -3.9 (180deg=-8.32!) USER MOD Set 2.1: C 69 SER OG : rot -132:sc= 1.17 USER MOD Set 2.2: C 71 THR OG1 : rot 180:sc= 0 USER MOD Single : C 5 TYR OH : rot 180:sc= 0 USER MOD Single : C 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 11 GLN : amide:sc= -0.127 K(o=-0.13,f=-2.2!) USER MOD Single : C 13 THR OG1 : rot 180:sc= 0 USER MOD Single : C 16 GLN : amide:sc= -1.63 K(o=-1.6,f=-7.9!) USER MOD Single : C 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 18 ASN : amide:sc= -0.221 K(o=-0.22,f=-2.2!) USER MOD Single : C 21 LYS NZ :NH3+ -119:sc= 0 (180deg=-0.0128) USER MOD Single : C 35 CYS SG : rot 34:sc= 0.701 USER MOD Single : C 37 SER OG : rot 180:sc= -0.31 USER MOD Single : C 38 THR OG1 : rot -82:sc= 0.077 USER MOD Single : C 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 45 MET CE :methyl 159:sc= -3.21 (180deg=-4.12!) USER MOD Single : C 47 MET CE :methyl -116:sc= -1.06 (180deg=-5.06!) USER MOD Single : C 50 GLN : amide:sc= -0.302 K(o=-0.3,f=-11!) USER MOD Single : C 51 ASN : amide:sc= -2.86! C(o=-2.9!,f=-4.1!) USER MOD Single : C 53 THR OG1 : rot 180:sc= 0.0106 USER MOD Single : C 58 GLN : amide:sc= -0.214 K(o=-0.21,f=-1.2!) USER MOD Single : C 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 80 MET CE :methyl -142:sc= -0.133 (180deg=-0.539) USER MOD Single : C 81 MET CE :methyl -173:sc=-0.00186 (180deg=-0.0484) USER MOD Single : C 84 CYS SG : rot 180:sc= -0.454 USER MOD Single : C 85 MET CE :methyl -164:sc= -0.0803 (180deg=-0.184) USER MOD Single : I 3 SER OG : rot 180:sc= 0 USER MOD Single : I 9 GLN : amide:sc= -0.383 X(o=-0.38,f=0) USER MOD ----------------------------------------------------------------- ATOM 44 N ILE C 4 57.714 -12.227 13.673 1.00 0.00 N ATOM 45 CA ILE C 4 56.247 -12.307 13.419 1.00 0.00 C ATOM 46 C ILE C 4 55.921 -11.779 12.019 1.00 0.00 C ATOM 47 O ILE C 4 55.493 -12.514 11.151 1.00 0.00 O ATOM 48 CB ILE C 4 55.613 -11.417 14.488 1.00 0.00 C ATOM 49 CG1 ILE C 4 55.752 -12.086 15.857 1.00 0.00 C ATOM 50 CG2 ILE C 4 54.131 -11.210 14.171 1.00 0.00 C ATOM 51 CD1 ILE C 4 56.643 -11.229 16.756 1.00 0.00 C ATOM 0 HA ILE C 4 55.875 -13.331 13.466 1.00 0.00 H new ATOM 0 HB ILE C 4 56.119 -10.452 14.501 1.00 0.00 H new ATOM 0 HG12 ILE C 4 54.770 -12.211 16.314 1.00 0.00 H new ATOM 0 HG13 ILE C 4 56.181 -13.082 15.745 1.00 0.00 H new ATOM 0 HG21 ILE C 4 53.681 -10.575 14.934 1.00 0.00 H new ATOM 0 HG22 ILE C 4 54.031 -10.732 13.196 1.00 0.00 H new ATOM 0 HG23 ILE C 4 53.624 -12.175 14.156 1.00 0.00 H new ATOM 0 HD11 ILE C 4 56.742 -11.706 17.731 1.00 0.00 H new ATOM 0 HD12 ILE C 4 57.628 -11.127 16.301 1.00 0.00 H new ATOM 0 HD13 ILE C 4 56.195 -10.243 16.878 1.00 0.00 H new ATOM 63 N TYR C 5 56.116 -10.509 11.795 1.00 0.00 N ATOM 64 CA TYR C 5 55.815 -9.930 10.453 1.00 0.00 C ATOM 65 C TYR C 5 56.289 -10.868 9.340 1.00 0.00 C ATOM 66 O TYR C 5 55.624 -11.039 8.338 1.00 0.00 O ATOM 67 CB TYR C 5 56.593 -8.617 10.409 1.00 0.00 C ATOM 68 CG TYR C 5 55.901 -7.593 11.277 1.00 0.00 C ATOM 69 CD1 TYR C 5 54.715 -6.990 10.838 1.00 0.00 C ATOM 70 CD2 TYR C 5 56.443 -7.248 12.520 1.00 0.00 C ATOM 71 CE1 TYR C 5 54.074 -6.042 11.644 1.00 0.00 C ATOM 72 CE2 TYR C 5 55.802 -6.299 13.325 1.00 0.00 C ATOM 73 CZ TYR C 5 54.616 -5.697 12.887 1.00 0.00 C ATOM 74 OH TYR C 5 53.983 -4.761 13.681 1.00 0.00 O ATOM 0 H TYR C 5 56.471 -9.845 12.483 1.00 0.00 H new ATOM 0 HA TYR C 5 54.746 -9.782 10.303 1.00 0.00 H new ATOM 0 HB2 TYR C 5 57.614 -8.775 10.757 1.00 0.00 H new ATOM 0 HB3 TYR C 5 56.659 -8.255 9.383 1.00 0.00 H new ATOM 0 HD1 TYR C 5 54.296 -7.256 9.879 1.00 0.00 H new ATOM 0 HD2 TYR C 5 57.356 -7.714 12.859 1.00 0.00 H new ATOM 0 HE1 TYR C 5 53.160 -5.576 11.306 1.00 0.00 H new ATOM 0 HE2 TYR C 5 56.222 -6.031 14.283 1.00 0.00 H new ATOM 0 HH TYR C 5 54.490 -4.639 14.510 1.00 0.00 H new ATOM 84 N LYS C 6 57.433 -11.473 9.502 1.00 0.00 N ATOM 85 CA LYS C 6 57.941 -12.393 8.445 1.00 0.00 C ATOM 86 C LYS C 6 56.807 -13.304 7.954 1.00 0.00 C ATOM 87 O LYS C 6 56.827 -13.793 6.842 1.00 0.00 O ATOM 88 CB LYS C 6 59.079 -13.188 9.120 1.00 0.00 C ATOM 89 CG LYS C 6 58.632 -14.616 9.463 1.00 0.00 C ATOM 90 CD LYS C 6 59.842 -15.437 9.912 1.00 0.00 C ATOM 91 CE LYS C 6 60.044 -16.615 8.956 1.00 0.00 C ATOM 92 NZ LYS C 6 61.515 -16.678 8.728 1.00 0.00 N ATOM 0 H LYS C 6 58.037 -11.371 10.318 1.00 0.00 H new ATOM 0 HA LYS C 6 58.306 -11.868 7.562 1.00 0.00 H new ATOM 0 HB2 LYS C 6 59.943 -13.224 8.457 1.00 0.00 H new ATOM 0 HB3 LYS C 6 59.395 -12.675 10.028 1.00 0.00 H new ATOM 0 HG2 LYS C 6 57.881 -14.593 10.253 1.00 0.00 H new ATOM 0 HG3 LYS C 6 58.166 -15.081 8.594 1.00 0.00 H new ATOM 0 HD2 LYS C 6 60.734 -14.811 9.928 1.00 0.00 H new ATOM 0 HD3 LYS C 6 59.691 -15.801 10.928 1.00 0.00 H new ATOM 0 HE2 LYS C 6 59.672 -17.543 9.389 1.00 0.00 H new ATOM 0 HE3 LYS C 6 59.506 -16.461 8.021 1.00 0.00 H new ATOM 0 HZ1 LYS C 6 61.733 -17.463 8.081 1.00 0.00 H new ATOM 0 HZ2 LYS C 6 61.840 -15.783 8.309 1.00 0.00 H new ATOM 0 HZ3 LYS C 6 62.001 -16.832 9.635 1.00 0.00 H new ATOM 106 N ALA C 7 55.820 -13.531 8.777 1.00 0.00 N ATOM 107 CA ALA C 7 54.687 -14.408 8.359 1.00 0.00 C ATOM 108 C ALA C 7 53.808 -13.681 7.339 1.00 0.00 C ATOM 109 O ALA C 7 53.377 -14.252 6.357 1.00 0.00 O ATOM 110 CB ALA C 7 53.902 -14.682 9.641 1.00 0.00 C ATOM 0 H ALA C 7 55.748 -13.148 9.720 1.00 0.00 H new ATOM 0 HA ALA C 7 55.030 -15.329 7.887 1.00 0.00 H new ATOM 0 HB1 ALA C 7 53.050 -15.323 9.416 1.00 0.00 H new ATOM 0 HB2 ALA C 7 54.548 -15.179 10.364 1.00 0.00 H new ATOM 0 HB3 ALA C 7 53.547 -13.740 10.059 1.00 0.00 H new ATOM 116 N ALA C 8 53.537 -12.423 7.565 1.00 0.00 N ATOM 117 CA ALA C 8 52.687 -11.658 6.608 1.00 0.00 C ATOM 118 C ALA C 8 53.330 -11.656 5.219 1.00 0.00 C ATOM 119 O ALA C 8 52.663 -11.814 4.215 1.00 0.00 O ATOM 120 CB ALA C 8 52.630 -10.241 7.175 1.00 0.00 C ATOM 0 H ALA C 8 53.868 -11.893 8.371 1.00 0.00 H new ATOM 0 HA ALA C 8 51.693 -12.092 6.498 1.00 0.00 H new ATOM 0 HB1 ALA C 8 52.020 -9.613 6.525 1.00 0.00 H new ATOM 0 HB2 ALA C 8 52.191 -10.266 8.172 1.00 0.00 H new ATOM 0 HB3 ALA C 8 53.638 -9.831 7.233 1.00 0.00 H new ATOM 126 N VAL C 9 54.621 -11.480 5.155 1.00 0.00 N ATOM 127 CA VAL C 9 55.308 -11.469 3.830 1.00 0.00 C ATOM 128 C VAL C 9 54.927 -12.716 3.032 1.00 0.00 C ATOM 129 O VAL C 9 54.647 -12.648 1.851 1.00 0.00 O ATOM 130 CB VAL C 9 56.801 -11.480 4.158 1.00 0.00 C ATOM 131 CG1 VAL C 9 57.607 -11.221 2.883 1.00 0.00 C ATOM 132 CG2 VAL C 9 57.107 -10.388 5.183 1.00 0.00 C ATOM 0 H VAL C 9 55.231 -11.343 5.961 1.00 0.00 H new ATOM 0 HA VAL C 9 55.030 -10.605 3.226 1.00 0.00 H new ATOM 0 HB VAL C 9 57.074 -12.452 4.569 1.00 0.00 H new ATOM 0 HG11 VAL C 9 58.671 -11.229 3.118 1.00 0.00 H new ATOM 0 HG12 VAL C 9 57.391 -12.000 2.151 1.00 0.00 H new ATOM 0 HG13 VAL C 9 57.334 -10.250 2.471 1.00 0.00 H new ATOM 0 HG21 VAL C 9 58.172 -10.396 5.417 1.00 0.00 H new ATOM 0 HG22 VAL C 9 56.833 -9.416 4.772 1.00 0.00 H new ATOM 0 HG23 VAL C 9 56.535 -10.572 6.092 1.00 0.00 H new ATOM 142 N GLU C 10 54.914 -13.854 3.668 1.00 0.00 N ATOM 143 CA GLU C 10 54.552 -15.106 2.949 1.00 0.00 C ATOM 144 C GLU C 10 53.032 -15.194 2.781 1.00 0.00 C ATOM 145 O GLU C 10 52.533 -15.878 1.908 1.00 0.00 O ATOM 146 CB GLU C 10 55.068 -16.233 3.845 1.00 0.00 C ATOM 147 CG GLU C 10 54.378 -17.543 3.469 1.00 0.00 C ATOM 148 CD GLU C 10 55.328 -18.715 3.717 1.00 0.00 C ATOM 149 OE1 GLU C 10 56.411 -18.476 4.227 1.00 0.00 O ATOM 150 OE2 GLU C 10 54.958 -19.832 3.395 1.00 0.00 O ATOM 0 H GLU C 10 55.139 -13.971 4.656 1.00 0.00 H new ATOM 0 HA GLU C 10 54.982 -15.155 1.948 1.00 0.00 H new ATOM 0 HB2 GLU C 10 56.148 -16.334 3.734 1.00 0.00 H new ATOM 0 HB3 GLU C 10 54.876 -15.996 4.891 1.00 0.00 H new ATOM 0 HG2 GLU C 10 53.469 -17.668 4.057 1.00 0.00 H new ATOM 0 HG3 GLU C 10 54.079 -17.520 2.421 1.00 0.00 H new ATOM 157 N GLN C 11 52.292 -14.510 3.610 1.00 0.00 N ATOM 158 CA GLN C 11 50.805 -14.556 3.498 1.00 0.00 C ATOM 159 C GLN C 11 50.314 -13.464 2.543 1.00 0.00 C ATOM 160 O GLN C 11 49.202 -13.508 2.054 1.00 0.00 O ATOM 161 CB GLN C 11 50.293 -14.300 4.916 1.00 0.00 C ATOM 162 CG GLN C 11 50.140 -15.632 5.652 1.00 0.00 C ATOM 163 CD GLN C 11 50.146 -15.384 7.162 1.00 0.00 C ATOM 164 OE1 GLN C 11 50.855 -14.523 7.646 1.00 0.00 O ATOM 165 NE2 GLN C 11 49.379 -16.106 7.932 1.00 0.00 N ATOM 0 H GLN C 11 52.652 -13.921 4.361 1.00 0.00 H new ATOM 0 HA GLN C 11 50.449 -15.507 3.103 1.00 0.00 H new ATOM 0 HB2 GLN C 11 50.987 -13.653 5.453 1.00 0.00 H new ATOM 0 HB3 GLN C 11 49.336 -13.780 4.880 1.00 0.00 H new ATOM 0 HG2 GLN C 11 49.210 -16.118 5.356 1.00 0.00 H new ATOM 0 HG3 GLN C 11 50.953 -16.305 5.380 1.00 0.00 H new ATOM 0 HE21 GLN C 11 48.784 -16.828 7.526 1.00 0.00 H new ATOM 0 HE22 GLN C 11 49.374 -15.948 8.940 1.00 0.00 H new ATOM 174 N LEU C 12 51.132 -12.484 2.275 1.00 0.00 N ATOM 175 CA LEU C 12 50.711 -11.391 1.352 1.00 0.00 C ATOM 176 C LEU C 12 50.310 -11.971 -0.006 1.00 0.00 C ATOM 177 O LEU C 12 51.115 -12.556 -0.704 1.00 0.00 O ATOM 178 CB LEU C 12 51.941 -10.495 1.209 1.00 0.00 C ATOM 179 CG LEU C 12 51.936 -9.441 2.316 1.00 0.00 C ATOM 180 CD1 LEU C 12 53.350 -8.892 2.507 1.00 0.00 C ATOM 181 CD2 LEU C 12 50.996 -8.299 1.925 1.00 0.00 C ATOM 0 H LEU C 12 52.074 -12.392 2.655 1.00 0.00 H new ATOM 0 HA LEU C 12 49.849 -10.842 1.730 1.00 0.00 H new ATOM 0 HB2 LEU C 12 52.849 -11.095 1.267 1.00 0.00 H new ATOM 0 HB3 LEU C 12 51.940 -10.012 0.232 1.00 0.00 H new ATOM 0 HG LEU C 12 51.594 -9.894 3.247 1.00 0.00 H new ATOM 0 HD11 LEU C 12 53.345 -8.141 3.297 1.00 0.00 H new ATOM 0 HD12 LEU C 12 54.022 -9.705 2.784 1.00 0.00 H new ATOM 0 HD13 LEU C 12 53.693 -8.439 1.577 1.00 0.00 H new ATOM 0 HD21 LEU C 12 50.991 -7.546 2.713 1.00 0.00 H new ATOM 0 HD22 LEU C 12 51.339 -7.848 0.994 1.00 0.00 H new ATOM 0 HD23 LEU C 12 49.987 -8.689 1.789 1.00 0.00 H new ATOM 193 N THR C 13 49.073 -11.812 -0.388 1.00 0.00 N ATOM 194 CA THR C 13 48.624 -12.354 -1.703 1.00 0.00 C ATOM 195 C THR C 13 49.584 -11.911 -2.810 1.00 0.00 C ATOM 196 O THR C 13 50.452 -11.087 -2.600 1.00 0.00 O ATOM 197 CB THR C 13 47.234 -11.756 -1.925 1.00 0.00 C ATOM 198 OG1 THR C 13 47.301 -10.343 -1.782 1.00 0.00 O ATOM 199 CG2 THR C 13 46.258 -12.327 -0.895 1.00 0.00 C ATOM 0 H THR C 13 48.354 -11.331 0.152 1.00 0.00 H new ATOM 0 HA THR C 13 48.604 -13.444 -1.717 1.00 0.00 H new ATOM 0 HB THR C 13 46.887 -12.006 -2.928 1.00 0.00 H new ATOM 0 HG1 THR C 13 46.412 -9.957 -1.926 1.00 0.00 H new ATOM 0 HG21 THR C 13 45.268 -11.899 -1.055 1.00 0.00 H new ATOM 0 HG22 THR C 13 46.207 -13.410 -1.004 1.00 0.00 H new ATOM 0 HG23 THR C 13 46.602 -12.079 0.109 1.00 0.00 H new ATOM 207 N GLU C 14 49.437 -12.453 -3.987 1.00 0.00 N ATOM 208 CA GLU C 14 50.343 -12.066 -5.107 1.00 0.00 C ATOM 209 C GLU C 14 50.018 -10.651 -5.595 1.00 0.00 C ATOM 210 O GLU C 14 50.883 -9.926 -6.045 1.00 0.00 O ATOM 211 CB GLU C 14 50.063 -13.088 -6.211 1.00 0.00 C ATOM 212 CG GLU C 14 48.613 -12.947 -6.678 1.00 0.00 C ATOM 213 CD GLU C 14 48.099 -14.300 -7.170 1.00 0.00 C ATOM 214 OE1 GLU C 14 48.836 -14.970 -7.876 1.00 0.00 O ATOM 215 OE2 GLU C 14 46.979 -14.645 -6.834 1.00 0.00 O ATOM 0 H GLU C 14 48.728 -13.148 -4.223 1.00 0.00 H new ATOM 0 HA GLU C 14 51.390 -12.062 -4.805 1.00 0.00 H new ATOM 0 HB2 GLU C 14 50.743 -12.931 -7.048 1.00 0.00 H new ATOM 0 HB3 GLU C 14 50.241 -14.098 -5.841 1.00 0.00 H new ATOM 0 HG2 GLU C 14 47.990 -12.586 -5.860 1.00 0.00 H new ATOM 0 HG3 GLU C 14 48.548 -12.209 -7.478 1.00 0.00 H new ATOM 222 N GLU C 15 48.778 -10.254 -5.513 1.00 0.00 N ATOM 223 CA GLU C 15 48.401 -8.887 -5.978 1.00 0.00 C ATOM 224 C GLU C 15 49.098 -7.819 -5.129 1.00 0.00 C ATOM 225 O GLU C 15 49.811 -6.977 -5.638 1.00 0.00 O ATOM 226 CB GLU C 15 46.886 -8.812 -5.796 1.00 0.00 C ATOM 227 CG GLU C 15 46.371 -7.485 -6.358 1.00 0.00 C ATOM 228 CD GLU C 15 45.074 -7.097 -5.646 1.00 0.00 C ATOM 229 OE1 GLU C 15 45.004 -7.279 -4.442 1.00 0.00 O ATOM 230 OE2 GLU C 15 44.170 -6.626 -6.318 1.00 0.00 O ATOM 0 H GLU C 15 48.010 -10.815 -5.145 1.00 0.00 H new ATOM 0 HA GLU C 15 48.699 -8.709 -7.011 1.00 0.00 H new ATOM 0 HB2 GLU C 15 46.406 -9.647 -6.307 1.00 0.00 H new ATOM 0 HB3 GLU C 15 46.631 -8.895 -4.740 1.00 0.00 H new ATOM 0 HG2 GLU C 15 47.120 -6.705 -6.222 1.00 0.00 H new ATOM 0 HG3 GLU C 15 46.197 -7.575 -7.430 1.00 0.00 H new ATOM 237 N GLN C 16 48.895 -7.843 -3.841 1.00 0.00 N ATOM 238 CA GLN C 16 49.542 -6.824 -2.965 1.00 0.00 C ATOM 239 C GLN C 16 51.066 -6.894 -3.100 1.00 0.00 C ATOM 240 O GLN C 16 51.724 -5.899 -3.326 1.00 0.00 O ATOM 241 CB GLN C 16 49.113 -7.190 -1.545 1.00 0.00 C ATOM 242 CG GLN C 16 49.749 -6.212 -0.555 1.00 0.00 C ATOM 243 CD GLN C 16 48.800 -5.991 0.625 1.00 0.00 C ATOM 244 OE1 GLN C 16 48.689 -6.833 1.495 1.00 0.00 O ATOM 245 NE2 GLN C 16 48.108 -4.886 0.694 1.00 0.00 N ATOM 0 H GLN C 16 48.310 -8.523 -3.357 1.00 0.00 H new ATOM 0 HA GLN C 16 49.248 -5.809 -3.231 1.00 0.00 H new ATOM 0 HB2 GLN C 16 48.027 -7.155 -1.461 1.00 0.00 H new ATOM 0 HB3 GLN C 16 49.418 -8.210 -1.312 1.00 0.00 H new ATOM 0 HG2 GLN C 16 50.702 -6.605 -0.200 1.00 0.00 H new ATOM 0 HG3 GLN C 16 49.959 -5.263 -1.049 1.00 0.00 H new ATOM 0 HE21 GLN C 16 48.201 -4.180 -0.036 1.00 0.00 H new ATOM 0 HE22 GLN C 16 47.474 -4.729 1.478 1.00 0.00 H new ATOM 254 N LYS C 17 51.631 -8.063 -2.963 1.00 0.00 N ATOM 255 CA LYS C 17 53.110 -8.193 -3.085 1.00 0.00 C ATOM 256 C LYS C 17 53.571 -7.638 -4.440 1.00 0.00 C ATOM 257 O LYS C 17 54.680 -7.165 -4.583 1.00 0.00 O ATOM 258 CB LYS C 17 53.377 -9.702 -2.967 1.00 0.00 C ATOM 259 CG LYS C 17 54.606 -10.095 -3.791 1.00 0.00 C ATOM 260 CD LYS C 17 54.194 -10.262 -5.253 1.00 0.00 C ATOM 261 CE LYS C 17 54.514 -11.687 -5.715 1.00 0.00 C ATOM 262 NZ LYS C 17 53.843 -11.821 -7.038 1.00 0.00 N ATOM 0 H LYS C 17 51.133 -8.932 -2.772 1.00 0.00 H new ATOM 0 HA LYS C 17 53.655 -7.633 -2.325 1.00 0.00 H new ATOM 0 HB2 LYS C 17 53.532 -9.969 -1.922 1.00 0.00 H new ATOM 0 HB3 LYS C 17 52.507 -10.259 -3.313 1.00 0.00 H new ATOM 0 HG2 LYS C 17 55.378 -9.331 -3.703 1.00 0.00 H new ATOM 0 HG3 LYS C 17 55.032 -11.024 -3.412 1.00 0.00 H new ATOM 0 HD2 LYS C 17 53.128 -10.062 -5.367 1.00 0.00 H new ATOM 0 HD3 LYS C 17 54.722 -9.539 -5.875 1.00 0.00 H new ATOM 0 HE2 LYS C 17 55.589 -11.843 -5.800 1.00 0.00 H new ATOM 0 HE3 LYS C 17 54.140 -12.426 -5.006 1.00 0.00 H new ATOM 0 HZ1 LYS C 17 54.016 -12.773 -7.420 1.00 0.00 H new ATOM 0 HZ2 LYS C 17 52.820 -11.674 -6.925 1.00 0.00 H new ATOM 0 HZ3 LYS C 17 54.224 -11.110 -7.694 1.00 0.00 H new ATOM 276 N ASN C 18 52.723 -7.687 -5.431 1.00 0.00 N ATOM 277 CA ASN C 18 53.110 -7.156 -6.769 1.00 0.00 C ATOM 278 C ASN C 18 53.210 -5.630 -6.718 1.00 0.00 C ATOM 279 O ASN C 18 54.040 -5.028 -7.370 1.00 0.00 O ATOM 280 CB ASN C 18 51.982 -7.589 -7.707 1.00 0.00 C ATOM 281 CG ASN C 18 52.480 -8.707 -8.624 1.00 0.00 C ATOM 282 OD1 ASN C 18 53.661 -8.809 -8.891 1.00 0.00 O ATOM 283 ND2 ASN C 18 51.623 -9.555 -9.124 1.00 0.00 N ATOM 0 H ASN C 18 51.780 -8.071 -5.372 1.00 0.00 H new ATOM 0 HA ASN C 18 54.080 -7.529 -7.100 1.00 0.00 H new ATOM 0 HB2 ASN C 18 51.126 -7.934 -7.128 1.00 0.00 H new ATOM 0 HB3 ASN C 18 51.644 -6.740 -8.302 1.00 0.00 H new ATOM 0 HD21 ASN C 18 51.945 -10.303 -9.738 1.00 0.00 H new ATOM 0 HD22 ASN C 18 50.632 -9.470 -8.900 1.00 0.00 H new ATOM 290 N GLU C 19 52.367 -5.001 -5.945 1.00 0.00 N ATOM 291 CA GLU C 19 52.409 -3.513 -5.844 1.00 0.00 C ATOM 292 C GLU C 19 53.747 -3.062 -5.254 1.00 0.00 C ATOM 293 O GLU C 19 54.394 -2.170 -5.768 1.00 0.00 O ATOM 294 CB GLU C 19 51.259 -3.152 -4.905 1.00 0.00 C ATOM 295 CG GLU C 19 50.685 -1.789 -5.296 1.00 0.00 C ATOM 296 CD GLU C 19 49.176 -1.781 -5.048 1.00 0.00 C ATOM 297 OE1 GLU C 19 48.602 -2.855 -4.974 1.00 0.00 O ATOM 298 OE2 GLU C 19 48.619 -0.701 -4.938 1.00 0.00 O ATOM 0 H GLU C 19 51.650 -5.453 -5.378 1.00 0.00 H new ATOM 0 HA GLU C 19 52.312 -3.027 -6.815 1.00 0.00 H new ATOM 0 HB2 GLU C 19 50.481 -3.914 -4.957 1.00 0.00 H new ATOM 0 HB3 GLU C 19 51.612 -3.127 -3.874 1.00 0.00 H new ATOM 0 HG2 GLU C 19 51.164 -1.001 -4.715 1.00 0.00 H new ATOM 0 HG3 GLU C 19 50.893 -1.583 -6.346 1.00 0.00 H new ATOM 305 N PHE C 20 54.167 -3.670 -4.179 1.00 0.00 N ATOM 306 CA PHE C 20 55.464 -3.275 -3.557 1.00 0.00 C ATOM 307 C PHE C 20 56.585 -3.317 -4.600 1.00 0.00 C ATOM 308 O PHE C 20 57.336 -2.375 -4.756 1.00 0.00 O ATOM 309 CB PHE C 20 55.713 -4.314 -2.464 1.00 0.00 C ATOM 310 CG PHE C 20 54.502 -4.404 -1.566 1.00 0.00 C ATOM 311 CD1 PHE C 20 53.752 -3.256 -1.284 1.00 0.00 C ATOM 312 CD2 PHE C 20 54.130 -5.637 -1.015 1.00 0.00 C ATOM 313 CE1 PHE C 20 52.630 -3.341 -0.450 1.00 0.00 C ATOM 314 CE2 PHE C 20 53.009 -5.721 -0.182 1.00 0.00 C ATOM 315 CZ PHE C 20 52.259 -4.573 0.100 1.00 0.00 C ATOM 0 H PHE C 20 53.669 -4.423 -3.704 1.00 0.00 H new ATOM 0 HA PHE C 20 55.438 -2.261 -3.158 1.00 0.00 H new ATOM 0 HB2 PHE C 20 55.919 -5.286 -2.912 1.00 0.00 H new ATOM 0 HB3 PHE C 20 56.592 -4.039 -1.880 1.00 0.00 H new ATOM 0 HD1 PHE C 20 54.038 -2.305 -1.709 1.00 0.00 H new ATOM 0 HD2 PHE C 20 54.708 -6.523 -1.233 1.00 0.00 H new ATOM 0 HE1 PHE C 20 52.051 -2.456 -0.231 1.00 0.00 H new ATOM 0 HE2 PHE C 20 52.722 -6.671 0.243 1.00 0.00 H new ATOM 0 HZ PHE C 20 51.393 -4.638 0.743 1.00 0.00 H new ATOM 325 N LYS C 21 56.702 -4.403 -5.314 1.00 0.00 N ATOM 326 CA LYS C 21 57.776 -4.505 -6.344 1.00 0.00 C ATOM 327 C LYS C 21 57.832 -3.223 -7.177 1.00 0.00 C ATOM 328 O LYS C 21 58.890 -2.681 -7.428 1.00 0.00 O ATOM 329 CB LYS C 21 57.378 -5.697 -7.215 1.00 0.00 C ATOM 330 CG LYS C 21 58.402 -6.820 -7.041 1.00 0.00 C ATOM 331 CD LYS C 21 59.463 -6.719 -8.139 1.00 0.00 C ATOM 332 CE LYS C 21 59.260 -7.849 -9.152 1.00 0.00 C ATOM 333 NZ LYS C 21 59.863 -9.050 -8.512 1.00 0.00 N ATOM 0 H LYS C 21 56.102 -5.223 -5.229 1.00 0.00 H new ATOM 0 HA LYS C 21 58.763 -4.638 -5.901 1.00 0.00 H new ATOM 0 HB2 LYS C 21 56.385 -6.049 -6.936 1.00 0.00 H new ATOM 0 HB3 LYS C 21 57.327 -5.396 -8.261 1.00 0.00 H new ATOM 0 HG2 LYS C 21 58.871 -6.750 -6.060 1.00 0.00 H new ATOM 0 HG3 LYS C 21 57.906 -7.789 -7.088 1.00 0.00 H new ATOM 0 HD2 LYS C 21 59.394 -5.752 -8.638 1.00 0.00 H new ATOM 0 HD3 LYS C 21 60.460 -6.782 -7.703 1.00 0.00 H new ATOM 0 HE2 LYS C 21 58.202 -8.004 -9.365 1.00 0.00 H new ATOM 0 HE3 LYS C 21 59.746 -7.621 -10.101 1.00 0.00 H new ATOM 0 HZ1 LYS C 21 60.642 -9.404 -9.103 1.00 0.00 H new ATOM 0 HZ2 LYS C 21 60.229 -8.796 -7.572 1.00 0.00 H new ATOM 0 HZ3 LYS C 21 59.140 -9.791 -8.413 1.00 0.00 H new ATOM 347 N ALA C 22 56.701 -2.729 -7.607 1.00 0.00 N ATOM 348 CA ALA C 22 56.697 -1.479 -8.420 1.00 0.00 C ATOM 349 C ALA C 22 57.508 -0.393 -7.712 1.00 0.00 C ATOM 350 O ALA C 22 58.416 0.186 -8.276 1.00 0.00 O ATOM 351 CB ALA C 22 55.227 -1.074 -8.519 1.00 0.00 C ATOM 0 H ALA C 22 55.783 -3.136 -7.431 1.00 0.00 H new ATOM 0 HA ALA C 22 57.144 -1.622 -9.404 1.00 0.00 H new ATOM 0 HB1 ALA C 22 55.140 -0.159 -9.105 1.00 0.00 H new ATOM 0 HB2 ALA C 22 54.662 -1.870 -9.004 1.00 0.00 H new ATOM 0 HB3 ALA C 22 54.828 -0.904 -7.519 1.00 0.00 H new ATOM 357 N ALA C 23 57.191 -0.114 -6.476 1.00 0.00 N ATOM 358 CA ALA C 23 57.949 0.931 -5.732 1.00 0.00 C ATOM 359 C ALA C 23 59.404 0.493 -5.553 1.00 0.00 C ATOM 360 O ALA C 23 60.325 1.243 -5.809 1.00 0.00 O ATOM 361 CB ALA C 23 57.248 1.045 -4.379 1.00 0.00 C ATOM 0 H ALA C 23 56.441 -0.564 -5.951 1.00 0.00 H new ATOM 0 HA ALA C 23 57.966 1.886 -6.258 1.00 0.00 H new ATOM 0 HB1 ALA C 23 57.750 1.798 -3.771 1.00 0.00 H new ATOM 0 HB2 ALA C 23 56.209 1.336 -4.531 1.00 0.00 H new ATOM 0 HB3 ALA C 23 57.285 0.083 -3.868 1.00 0.00 H new ATOM 367 N PHE C 24 59.622 -0.720 -5.120 1.00 0.00 N ATOM 368 CA PHE C 24 61.021 -1.201 -4.934 1.00 0.00 C ATOM 369 C PHE C 24 61.839 -0.902 -6.192 1.00 0.00 C ATOM 370 O PHE C 24 62.967 -0.459 -6.120 1.00 0.00 O ATOM 371 CB PHE C 24 60.903 -2.710 -4.716 1.00 0.00 C ATOM 372 CG PHE C 24 62.280 -3.329 -4.748 1.00 0.00 C ATOM 373 CD1 PHE C 24 62.925 -3.542 -5.974 1.00 0.00 C ATOM 374 CD2 PHE C 24 62.916 -3.686 -3.553 1.00 0.00 C ATOM 375 CE1 PHE C 24 64.202 -4.114 -6.003 1.00 0.00 C ATOM 376 CE2 PHE C 24 64.194 -4.257 -3.582 1.00 0.00 C ATOM 377 CZ PHE C 24 64.838 -4.471 -4.807 1.00 0.00 C ATOM 0 H PHE C 24 58.894 -1.396 -4.888 1.00 0.00 H new ATOM 0 HA PHE C 24 61.521 -0.713 -4.097 1.00 0.00 H new ATOM 0 HB2 PHE C 24 60.422 -2.914 -3.759 1.00 0.00 H new ATOM 0 HB3 PHE C 24 60.275 -3.153 -5.489 1.00 0.00 H new ATOM 0 HD1 PHE C 24 62.437 -3.265 -6.896 1.00 0.00 H new ATOM 0 HD2 PHE C 24 62.420 -3.521 -2.608 1.00 0.00 H new ATOM 0 HE1 PHE C 24 64.697 -4.280 -6.948 1.00 0.00 H new ATOM 0 HE2 PHE C 24 64.683 -4.532 -2.659 1.00 0.00 H new ATOM 0 HZ PHE C 24 65.824 -4.911 -4.830 1.00 0.00 H new ATOM 387 N ASP C 25 61.274 -1.138 -7.345 1.00 0.00 N ATOM 388 CA ASP C 25 62.016 -0.862 -8.607 1.00 0.00 C ATOM 389 C ASP C 25 62.447 0.606 -8.646 1.00 0.00 C ATOM 390 O ASP C 25 63.613 0.917 -8.782 1.00 0.00 O ATOM 391 CB ASP C 25 61.017 -1.157 -9.727 1.00 0.00 C ATOM 392 CG ASP C 25 61.746 -1.164 -11.072 1.00 0.00 C ATOM 393 OD1 ASP C 25 62.916 -0.820 -11.091 1.00 0.00 O ATOM 394 OD2 ASP C 25 61.120 -1.511 -12.061 1.00 0.00 O ATOM 0 H ASP C 25 60.332 -1.509 -7.467 1.00 0.00 H new ATOM 0 HA ASP C 25 62.919 -1.465 -8.700 1.00 0.00 H new ATOM 0 HB2 ASP C 25 60.537 -2.121 -9.556 1.00 0.00 H new ATOM 0 HB3 ASP C 25 60.228 -0.405 -9.733 1.00 0.00 H new ATOM 399 N ILE C 26 61.514 1.510 -8.521 1.00 0.00 N ATOM 400 CA ILE C 26 61.870 2.958 -8.546 1.00 0.00 C ATOM 401 C ILE C 26 62.738 3.304 -7.334 1.00 0.00 C ATOM 402 O ILE C 26 63.542 4.214 -7.373 1.00 0.00 O ATOM 403 CB ILE C 26 60.535 3.699 -8.476 1.00 0.00 C ATOM 404 CG1 ILE C 26 59.812 3.576 -9.818 1.00 0.00 C ATOM 405 CG2 ILE C 26 60.786 5.176 -8.168 1.00 0.00 C ATOM 406 CD1 ILE C 26 58.865 2.376 -9.778 1.00 0.00 C ATOM 0 H ILE C 26 60.521 1.309 -8.403 1.00 0.00 H new ATOM 0 HA ILE C 26 62.438 3.229 -9.436 1.00 0.00 H new ATOM 0 HB ILE C 26 59.920 3.263 -7.689 1.00 0.00 H new ATOM 0 HG12 ILE C 26 59.252 4.488 -10.027 1.00 0.00 H new ATOM 0 HG13 ILE C 26 60.536 3.455 -10.624 1.00 0.00 H new ATOM 0 HG21 ILE C 26 59.834 5.704 -8.118 1.00 0.00 H new ATOM 0 HG22 ILE C 26 61.301 5.266 -7.212 1.00 0.00 H new ATOM 0 HG23 ILE C 26 61.402 5.612 -8.954 1.00 0.00 H new ATOM 0 HD11 ILE C 26 58.349 2.288 -10.734 1.00 0.00 H new ATOM 0 HD12 ILE C 26 59.437 1.467 -9.589 1.00 0.00 H new ATOM 0 HD13 ILE C 26 58.133 2.516 -8.983 1.00 0.00 H new ATOM 418 N PHE C 27 62.581 2.585 -6.256 1.00 0.00 N ATOM 419 CA PHE C 27 63.395 2.874 -5.041 1.00 0.00 C ATOM 420 C PHE C 27 64.887 2.790 -5.374 1.00 0.00 C ATOM 421 O PHE C 27 65.697 3.509 -4.824 1.00 0.00 O ATOM 422 CB PHE C 27 63.008 1.788 -4.037 1.00 0.00 C ATOM 423 CG PHE C 27 62.028 2.352 -3.037 1.00 0.00 C ATOM 424 CD1 PHE C 27 61.165 3.389 -3.412 1.00 0.00 C ATOM 425 CD2 PHE C 27 61.981 1.839 -1.735 1.00 0.00 C ATOM 426 CE1 PHE C 27 60.256 3.913 -2.485 1.00 0.00 C ATOM 427 CE2 PHE C 27 61.072 2.363 -0.808 1.00 0.00 C ATOM 428 CZ PHE C 27 60.209 3.400 -1.183 1.00 0.00 C ATOM 0 H PHE C 27 61.924 1.810 -6.164 1.00 0.00 H new ATOM 0 HA PHE C 27 63.212 3.874 -4.649 1.00 0.00 H new ATOM 0 HB2 PHE C 27 62.565 0.939 -4.557 1.00 0.00 H new ATOM 0 HB3 PHE C 27 63.896 1.419 -3.524 1.00 0.00 H new ATOM 0 HD1 PHE C 27 61.201 3.785 -4.416 1.00 0.00 H new ATOM 0 HD2 PHE C 27 62.646 1.039 -1.446 1.00 0.00 H new ATOM 0 HE1 PHE C 27 59.591 4.713 -2.774 1.00 0.00 H new ATOM 0 HE2 PHE C 27 61.036 1.967 0.196 1.00 0.00 H new ATOM 0 HZ PHE C 27 59.507 3.804 -0.468 1.00 0.00 H new ATOM 438 N VAL C 28 65.255 1.916 -6.270 1.00 0.00 N ATOM 439 CA VAL C 28 66.694 1.786 -6.636 1.00 0.00 C ATOM 440 C VAL C 28 66.962 2.456 -7.985 1.00 0.00 C ATOM 441 O VAL C 28 68.082 2.802 -8.304 1.00 0.00 O ATOM 442 CB VAL C 28 66.946 0.282 -6.731 1.00 0.00 C ATOM 443 CG1 VAL C 28 66.602 -0.379 -5.398 1.00 0.00 C ATOM 444 CG2 VAL C 28 66.068 -0.313 -7.835 1.00 0.00 C ATOM 0 H VAL C 28 64.622 1.287 -6.764 1.00 0.00 H new ATOM 0 HA VAL C 28 67.347 2.265 -5.907 1.00 0.00 H new ATOM 0 HB VAL C 28 67.996 0.105 -6.964 1.00 0.00 H new ATOM 0 HG11 VAL C 28 66.782 -1.452 -5.467 1.00 0.00 H new ATOM 0 HG12 VAL C 28 67.226 0.044 -4.610 1.00 0.00 H new ATOM 0 HG13 VAL C 28 65.552 -0.202 -5.164 1.00 0.00 H new ATOM 0 HG21 VAL C 28 66.247 -1.386 -7.904 1.00 0.00 H new ATOM 0 HG22 VAL C 28 65.018 -0.134 -7.601 1.00 0.00 H new ATOM 0 HG23 VAL C 28 66.313 0.157 -8.787 1.00 0.00 H new ATOM 454 N LEU C 29 65.945 2.638 -8.783 1.00 0.00 N ATOM 455 CA LEU C 29 66.154 3.281 -10.111 1.00 0.00 C ATOM 456 C LEU C 29 67.393 2.686 -10.781 1.00 0.00 C ATOM 457 O LEU C 29 67.646 1.501 -10.689 1.00 0.00 O ATOM 458 CB LEU C 29 66.363 4.765 -9.802 1.00 0.00 C ATOM 459 CG LEU C 29 65.646 5.613 -10.854 1.00 0.00 C ATOM 460 CD1 LEU C 29 64.506 6.388 -10.192 1.00 0.00 C ATOM 461 CD2 LEU C 29 66.639 6.599 -11.475 1.00 0.00 C ATOM 0 H LEU C 29 64.983 2.371 -8.574 1.00 0.00 H new ATOM 0 HA LEU C 29 65.316 3.126 -10.791 1.00 0.00 H new ATOM 0 HB2 LEU C 29 65.979 4.998 -8.809 1.00 0.00 H new ATOM 0 HB3 LEU C 29 67.428 4.999 -9.795 1.00 0.00 H new ATOM 0 HG LEU C 29 65.242 4.965 -11.631 1.00 0.00 H new ATOM 0 HD11 LEU C 29 63.994 6.993 -10.941 1.00 0.00 H new ATOM 0 HD12 LEU C 29 63.800 5.687 -9.747 1.00 0.00 H new ATOM 0 HD13 LEU C 29 64.910 7.037 -9.416 1.00 0.00 H new ATOM 0 HD21 LEU C 29 66.130 7.204 -12.225 1.00 0.00 H new ATOM 0 HD22 LEU C 29 67.042 7.248 -10.697 1.00 0.00 H new ATOM 0 HD23 LEU C 29 67.453 6.048 -11.945 1.00 0.00 H new ATOM 473 N GLY C 30 68.174 3.490 -11.445 1.00 0.00 N ATOM 474 CA GLY C 30 69.397 2.955 -12.105 1.00 0.00 C ATOM 475 C GLY C 30 70.450 2.633 -11.040 1.00 0.00 C ATOM 476 O GLY C 30 71.569 3.101 -11.100 1.00 0.00 O ATOM 0 H GLY C 30 68.020 4.492 -11.559 1.00 0.00 H new ATOM 0 HA2 GLY C 30 69.154 2.058 -12.674 1.00 0.00 H new ATOM 0 HA3 GLY C 30 69.791 3.685 -12.813 1.00 0.00 H new ATOM 480 N ALA C 31 70.099 1.839 -10.062 1.00 0.00 N ATOM 481 CA ALA C 31 71.081 1.494 -8.994 1.00 0.00 C ATOM 482 C ALA C 31 72.206 0.626 -9.565 1.00 0.00 C ATOM 483 O ALA C 31 72.284 0.398 -10.755 1.00 0.00 O ATOM 484 CB ALA C 31 70.276 0.713 -7.955 1.00 0.00 C ATOM 0 H ALA C 31 69.177 1.416 -9.958 1.00 0.00 H new ATOM 0 HA ALA C 31 71.552 2.379 -8.566 1.00 0.00 H new ATOM 0 HB1 ALA C 31 70.929 0.421 -7.133 1.00 0.00 H new ATOM 0 HB2 ALA C 31 69.470 1.339 -7.573 1.00 0.00 H new ATOM 0 HB3 ALA C 31 69.854 -0.179 -8.417 1.00 0.00 H new ATOM 490 N GLU C 32 73.077 0.142 -8.723 1.00 0.00 N ATOM 491 CA GLU C 32 74.197 -0.709 -9.217 1.00 0.00 C ATOM 492 C GLU C 32 74.083 -2.123 -8.640 1.00 0.00 C ATOM 493 O GLU C 32 74.645 -3.065 -9.163 1.00 0.00 O ATOM 494 CB GLU C 32 75.466 -0.024 -8.710 1.00 0.00 C ATOM 495 CG GLU C 32 75.454 0.007 -7.181 1.00 0.00 C ATOM 496 CD GLU C 32 75.304 1.451 -6.697 1.00 0.00 C ATOM 497 OE1 GLU C 32 74.257 2.029 -6.937 1.00 0.00 O ATOM 498 OE2 GLU C 32 76.239 1.953 -6.094 1.00 0.00 O ATOM 0 H GLU C 32 73.062 0.299 -7.715 1.00 0.00 H new ATOM 0 HA GLU C 32 74.192 -0.809 -10.302 1.00 0.00 H new ATOM 0 HB2 GLU C 32 76.347 -0.558 -9.066 1.00 0.00 H new ATOM 0 HB3 GLU C 32 75.527 0.990 -9.104 1.00 0.00 H new ATOM 0 HG2 GLU C 32 74.633 -0.601 -6.801 1.00 0.00 H new ATOM 0 HG3 GLU C 32 76.376 -0.424 -6.791 1.00 0.00 H new ATOM 505 N ASP C 33 73.358 -2.280 -7.566 1.00 0.00 N ATOM 506 CA ASP C 33 73.209 -3.633 -6.957 1.00 0.00 C ATOM 507 C ASP C 33 71.737 -3.913 -6.643 1.00 0.00 C ATOM 508 O ASP C 33 71.410 -4.837 -5.925 1.00 0.00 O ATOM 509 CB ASP C 33 74.032 -3.579 -5.669 1.00 0.00 C ATOM 510 CG ASP C 33 75.522 -3.600 -6.014 1.00 0.00 C ATOM 511 OD1 ASP C 33 76.047 -2.552 -6.349 1.00 0.00 O ATOM 512 OD2 ASP C 33 76.112 -4.665 -5.938 1.00 0.00 O ATOM 0 H ASP C 33 72.862 -1.530 -7.084 1.00 0.00 H new ATOM 0 HA ASP C 33 73.547 -4.426 -7.624 1.00 0.00 H new ATOM 0 HB2 ASP C 33 73.790 -2.676 -5.108 1.00 0.00 H new ATOM 0 HB3 ASP C 33 73.784 -4.427 -5.030 1.00 0.00 H new ATOM 517 N GLY C 34 70.846 -3.121 -7.174 1.00 0.00 N ATOM 518 CA GLY C 34 69.398 -3.342 -6.907 1.00 0.00 C ATOM 519 C GLY C 34 69.119 -3.157 -5.414 1.00 0.00 C ATOM 520 O GLY C 34 68.239 -3.782 -4.856 1.00 0.00 O ATOM 0 H GLY C 34 71.059 -2.330 -7.782 1.00 0.00 H new ATOM 0 HA2 GLY C 34 68.799 -2.641 -7.489 1.00 0.00 H new ATOM 0 HA3 GLY C 34 69.109 -4.345 -7.220 1.00 0.00 H new ATOM 524 N CYS C 35 69.860 -2.302 -4.763 1.00 0.00 N ATOM 525 CA CYS C 35 69.634 -2.078 -3.307 1.00 0.00 C ATOM 526 C CYS C 35 69.218 -0.628 -3.054 1.00 0.00 C ATOM 527 O CYS C 35 68.941 0.118 -3.973 1.00 0.00 O ATOM 528 CB CYS C 35 70.981 -2.372 -2.648 1.00 0.00 C ATOM 529 SG CYS C 35 71.511 -4.048 -3.080 1.00 0.00 S ATOM 0 H CYS C 35 70.611 -1.750 -5.176 1.00 0.00 H new ATOM 0 HA CYS C 35 68.839 -2.710 -2.910 1.00 0.00 H new ATOM 0 HB2 CYS C 35 71.725 -1.647 -2.978 1.00 0.00 H new ATOM 0 HB3 CYS C 35 70.898 -2.273 -1.566 1.00 0.00 H new ATOM 0 HG CYS C 35 71.110 -4.333 -4.283 1.00 0.00 H new ATOM 535 N ILE C 36 69.176 -0.219 -1.816 1.00 0.00 N ATOM 536 CA ILE C 36 68.781 1.186 -1.510 1.00 0.00 C ATOM 537 C ILE C 36 69.798 1.828 -0.565 1.00 0.00 C ATOM 538 O ILE C 36 70.423 1.166 0.239 1.00 0.00 O ATOM 539 CB ILE C 36 67.413 1.082 -0.837 1.00 0.00 C ATOM 540 CG1 ILE C 36 66.531 0.105 -1.619 1.00 0.00 C ATOM 541 CG2 ILE C 36 66.753 2.462 -0.818 1.00 0.00 C ATOM 542 CD1 ILE C 36 65.160 0.004 -0.948 1.00 0.00 C ATOM 0 H ILE C 36 69.398 -0.795 -1.004 1.00 0.00 H new ATOM 0 HA ILE C 36 68.745 1.806 -2.406 1.00 0.00 H new ATOM 0 HB ILE C 36 67.535 0.721 0.184 1.00 0.00 H new ATOM 0 HG12 ILE C 36 66.419 0.444 -2.649 1.00 0.00 H new ATOM 0 HG13 ILE C 36 67.002 -0.877 -1.656 1.00 0.00 H new ATOM 0 HG21 ILE C 36 65.777 2.392 -0.339 1.00 0.00 H new ATOM 0 HG22 ILE C 36 67.381 3.158 -0.262 1.00 0.00 H new ATOM 0 HG23 ILE C 36 66.630 2.821 -1.840 1.00 0.00 H new ATOM 0 HD11 ILE C 36 64.533 -0.692 -1.505 1.00 0.00 H new ATOM 0 HD12 ILE C 36 65.281 -0.355 0.074 1.00 0.00 H new ATOM 0 HD13 ILE C 36 64.688 0.987 -0.934 1.00 0.00 H new ATOM 554 N SER C 37 69.965 3.118 -0.660 1.00 0.00 N ATOM 555 CA SER C 37 70.938 3.821 0.223 1.00 0.00 C ATOM 556 C SER C 37 70.571 5.298 0.313 1.00 0.00 C ATOM 557 O SER C 37 71.423 6.160 0.354 1.00 0.00 O ATOM 558 CB SER C 37 72.279 3.660 -0.470 1.00 0.00 C ATOM 559 OG SER C 37 73.172 2.953 0.383 1.00 0.00 O ATOM 0 H SER C 37 69.466 3.719 -1.316 1.00 0.00 H new ATOM 0 HA SER C 37 70.949 3.421 1.237 1.00 0.00 H new ATOM 0 HB2 SER C 37 72.153 3.121 -1.409 1.00 0.00 H new ATOM 0 HB3 SER C 37 72.693 4.638 -0.717 1.00 0.00 H new ATOM 0 HG SER C 37 74.037 2.847 -0.065 1.00 0.00 H new ATOM 565 N THR C 38 69.302 5.581 0.320 1.00 0.00 N ATOM 566 CA THR C 38 68.808 6.997 0.384 1.00 0.00 C ATOM 567 C THR C 38 68.985 7.673 -0.979 1.00 0.00 C ATOM 568 O THR C 38 68.068 8.273 -1.504 1.00 0.00 O ATOM 569 CB THR C 38 69.630 7.723 1.464 1.00 0.00 C ATOM 570 OG1 THR C 38 70.803 8.276 0.885 1.00 0.00 O ATOM 571 CG2 THR C 38 70.011 6.755 2.590 1.00 0.00 C ATOM 0 H THR C 38 68.563 4.879 0.283 1.00 0.00 H new ATOM 0 HA THR C 38 67.748 7.030 0.634 1.00 0.00 H new ATOM 0 HB THR C 38 69.023 8.525 1.885 1.00 0.00 H new ATOM 0 HG1 THR C 38 71.490 7.581 0.811 1.00 0.00 H new ATOM 0 HG21 THR C 38 70.592 7.285 3.345 1.00 0.00 H new ATOM 0 HG22 THR C 38 69.106 6.352 3.045 1.00 0.00 H new ATOM 0 HG23 THR C 38 70.606 5.938 2.182 1.00 0.00 H new ATOM 579 N LYS C 39 70.147 7.572 -1.565 1.00 0.00 N ATOM 580 CA LYS C 39 70.359 8.202 -2.900 1.00 0.00 C ATOM 581 C LYS C 39 69.255 7.752 -3.860 1.00 0.00 C ATOM 582 O LYS C 39 68.760 8.520 -4.662 1.00 0.00 O ATOM 583 CB LYS C 39 71.721 7.692 -3.371 1.00 0.00 C ATOM 584 CG LYS C 39 72.808 8.170 -2.407 1.00 0.00 C ATOM 585 CD LYS C 39 72.988 9.682 -2.551 1.00 0.00 C ATOM 586 CE LYS C 39 73.044 10.325 -1.163 1.00 0.00 C ATOM 587 NZ LYS C 39 73.363 11.761 -1.410 1.00 0.00 N ATOM 0 H LYS C 39 70.955 7.083 -1.180 1.00 0.00 H new ATOM 0 HA LYS C 39 70.330 9.291 -2.858 1.00 0.00 H new ATOM 0 HB2 LYS C 39 71.716 6.603 -3.419 1.00 0.00 H new ATOM 0 HB3 LYS C 39 71.928 8.055 -4.378 1.00 0.00 H new ATOM 0 HG2 LYS C 39 72.535 7.922 -1.382 1.00 0.00 H new ATOM 0 HG3 LYS C 39 73.747 7.659 -2.619 1.00 0.00 H new ATOM 0 HD2 LYS C 39 73.904 9.899 -3.101 1.00 0.00 H new ATOM 0 HD3 LYS C 39 72.163 10.104 -3.126 1.00 0.00 H new ATOM 0 HE2 LYS C 39 72.094 10.217 -0.640 1.00 0.00 H new ATOM 0 HE3 LYS C 39 73.805 9.854 -0.541 1.00 0.00 H new ATOM 0 HZ1 LYS C 39 73.417 12.266 -0.502 1.00 0.00 H new ATOM 0 HZ2 LYS C 39 74.276 11.834 -1.902 1.00 0.00 H new ATOM 0 HZ3 LYS C 39 72.618 12.186 -1.998 1.00 0.00 H new ATOM 601 N GLU C 40 68.862 6.509 -3.778 1.00 0.00 N ATOM 602 CA GLU C 40 67.786 6.005 -4.678 1.00 0.00 C ATOM 603 C GLU C 40 66.429 6.124 -3.981 1.00 0.00 C ATOM 604 O GLU C 40 65.403 6.278 -4.615 1.00 0.00 O ATOM 605 CB GLU C 40 68.134 4.538 -4.928 1.00 0.00 C ATOM 606 CG GLU C 40 69.623 4.415 -5.257 1.00 0.00 C ATOM 607 CD GLU C 40 69.933 5.214 -6.524 1.00 0.00 C ATOM 608 OE1 GLU C 40 69.763 6.422 -6.496 1.00 0.00 O ATOM 609 OE2 GLU C 40 70.337 4.604 -7.500 1.00 0.00 O ATOM 0 H GLU C 40 69.240 5.821 -3.126 1.00 0.00 H new ATOM 0 HA GLU C 40 67.721 6.570 -5.608 1.00 0.00 H new ATOM 0 HB2 GLU C 40 67.895 3.941 -4.048 1.00 0.00 H new ATOM 0 HB3 GLU C 40 67.535 4.146 -5.751 1.00 0.00 H new ATOM 0 HG2 GLU C 40 70.222 4.785 -4.425 1.00 0.00 H new ATOM 0 HG3 GLU C 40 69.889 3.368 -5.400 1.00 0.00 H new ATOM 616 N LEU C 41 66.415 6.055 -2.678 1.00 0.00 N ATOM 617 CA LEU C 41 65.127 6.167 -1.937 1.00 0.00 C ATOM 618 C LEU C 41 64.661 7.624 -1.911 1.00 0.00 C ATOM 619 O LEU C 41 63.604 7.958 -2.407 1.00 0.00 O ATOM 620 CB LEU C 41 65.440 5.678 -0.522 1.00 0.00 C ATOM 621 CG LEU C 41 64.152 5.201 0.152 1.00 0.00 C ATOM 622 CD1 LEU C 41 63.151 6.356 0.213 1.00 0.00 C ATOM 623 CD2 LEU C 41 63.553 4.049 -0.657 1.00 0.00 C ATOM 0 H LEU C 41 67.241 5.926 -2.094 1.00 0.00 H new ATOM 0 HA LEU C 41 64.330 5.586 -2.401 1.00 0.00 H new ATOM 0 HB2 LEU C 41 66.166 4.865 -0.559 1.00 0.00 H new ATOM 0 HB3 LEU C 41 65.891 6.482 0.060 1.00 0.00 H new ATOM 0 HG LEU C 41 64.374 4.860 1.163 1.00 0.00 H new ATOM 0 HD11 LEU C 41 62.233 6.017 0.693 1.00 0.00 H new ATOM 0 HD12 LEU C 41 63.578 7.178 0.787 1.00 0.00 H new ATOM 0 HD13 LEU C 41 62.927 6.697 -0.798 1.00 0.00 H new ATOM 0 HD21 LEU C 41 62.635 3.707 -0.179 1.00 0.00 H new ATOM 0 HD22 LEU C 41 63.330 4.391 -1.667 1.00 0.00 H new ATOM 0 HD23 LEU C 41 64.267 3.226 -0.702 1.00 0.00 H new ATOM 635 N GLY C 42 65.444 8.495 -1.336 1.00 0.00 N ATOM 636 CA GLY C 42 65.047 9.930 -1.278 1.00 0.00 C ATOM 637 C GLY C 42 64.625 10.402 -2.670 1.00 0.00 C ATOM 638 O GLY C 42 63.831 11.310 -2.814 1.00 0.00 O ATOM 0 H GLY C 42 66.341 8.275 -0.904 1.00 0.00 H new ATOM 0 HA2 GLY C 42 64.226 10.062 -0.574 1.00 0.00 H new ATOM 0 HA3 GLY C 42 65.879 10.534 -0.915 1.00 0.00 H new ATOM 642 N LYS C 43 65.150 9.793 -3.699 1.00 0.00 N ATOM 643 CA LYS C 43 64.775 10.210 -5.080 1.00 0.00 C ATOM 644 C LYS C 43 63.252 10.292 -5.209 1.00 0.00 C ATOM 645 O LYS C 43 62.724 11.063 -5.987 1.00 0.00 O ATOM 646 CB LYS C 43 65.336 9.117 -5.991 1.00 0.00 C ATOM 647 CG LYS C 43 66.631 9.608 -6.643 1.00 0.00 C ATOM 648 CD LYS C 43 66.344 10.854 -7.479 1.00 0.00 C ATOM 649 CE LYS C 43 66.491 10.520 -8.965 1.00 0.00 C ATOM 650 NZ LYS C 43 67.228 11.677 -9.547 1.00 0.00 N ATOM 0 H LYS C 43 65.821 9.027 -3.643 1.00 0.00 H new ATOM 0 HA LYS C 43 65.169 11.193 -5.338 1.00 0.00 H new ATOM 0 HB2 LYS C 43 65.527 8.212 -5.415 1.00 0.00 H new ATOM 0 HB3 LYS C 43 64.606 8.858 -6.758 1.00 0.00 H new ATOM 0 HG2 LYS C 43 67.372 9.835 -5.877 1.00 0.00 H new ATOM 0 HG3 LYS C 43 67.053 8.825 -7.273 1.00 0.00 H new ATOM 0 HD2 LYS C 43 65.337 11.217 -7.275 1.00 0.00 H new ATOM 0 HD3 LYS C 43 67.032 11.654 -7.206 1.00 0.00 H new ATOM 0 HE2 LYS C 43 67.040 9.589 -9.108 1.00 0.00 H new ATOM 0 HE3 LYS C 43 65.518 10.392 -9.439 1.00 0.00 H new ATOM 0 HZ1 LYS C 43 67.368 11.522 -10.566 1.00 0.00 H new ATOM 0 HZ2 LYS C 43 66.678 12.548 -9.401 1.00 0.00 H new ATOM 0 HZ3 LYS C 43 68.153 11.770 -9.081 1.00 0.00 H new ATOM 664 N VAL C 44 62.538 9.503 -4.451 1.00 0.00 N ATOM 665 CA VAL C 44 61.050 9.536 -4.530 1.00 0.00 C ATOM 666 C VAL C 44 60.506 10.765 -3.797 1.00 0.00 C ATOM 667 O VAL C 44 59.620 11.441 -4.280 1.00 0.00 O ATOM 668 CB VAL C 44 60.585 8.255 -3.837 1.00 0.00 C ATOM 669 CG1 VAL C 44 59.080 8.335 -3.568 1.00 0.00 C ATOM 670 CG2 VAL C 44 60.877 7.052 -4.738 1.00 0.00 C ATOM 0 H VAL C 44 62.922 8.837 -3.780 1.00 0.00 H new ATOM 0 HA VAL C 44 60.696 9.596 -5.559 1.00 0.00 H new ATOM 0 HB VAL C 44 61.117 8.141 -2.893 1.00 0.00 H new ATOM 0 HG11 VAL C 44 58.750 7.421 -3.074 1.00 0.00 H new ATOM 0 HG12 VAL C 44 58.870 9.191 -2.926 1.00 0.00 H new ATOM 0 HG13 VAL C 44 58.547 8.450 -4.512 1.00 0.00 H new ATOM 0 HG21 VAL C 44 60.546 6.139 -4.244 1.00 0.00 H new ATOM 0 HG22 VAL C 44 60.345 7.167 -5.683 1.00 0.00 H new ATOM 0 HG23 VAL C 44 61.948 6.993 -4.930 1.00 0.00 H new ATOM 680 N MET C 45 61.028 11.053 -2.634 1.00 0.00 N ATOM 681 CA MET C 45 60.539 12.235 -1.859 1.00 0.00 C ATOM 682 C MET C 45 60.263 13.412 -2.798 1.00 0.00 C ATOM 683 O MET C 45 59.128 13.786 -3.021 1.00 0.00 O ATOM 684 CB MET C 45 61.671 12.577 -0.887 1.00 0.00 C ATOM 685 CG MET C 45 61.974 11.369 0.006 1.00 0.00 C ATOM 686 SD MET C 45 60.434 10.714 0.697 1.00 0.00 S ATOM 687 CE MET C 45 60.350 9.219 -0.318 1.00 0.00 C ATOM 0 H MET C 45 61.773 10.521 -2.185 1.00 0.00 H new ATOM 0 HA MET C 45 59.606 12.022 -1.336 1.00 0.00 H new ATOM 0 HB2 MET C 45 62.564 12.863 -1.442 1.00 0.00 H new ATOM 0 HB3 MET C 45 61.389 13.432 -0.273 1.00 0.00 H new ATOM 0 HG2 MET C 45 62.481 10.596 -0.572 1.00 0.00 H new ATOM 0 HG3 MET C 45 62.649 11.660 0.811 1.00 0.00 H new ATOM 0 HE1 MET C 45 59.709 8.484 0.169 1.00 0.00 H new ATOM 0 HE2 MET C 45 59.940 9.467 -1.297 1.00 0.00 H new ATOM 0 HE3 MET C 45 61.351 8.804 -0.438 1.00 0.00 H new ATOM 697 N ARG C 46 61.286 13.999 -3.355 1.00 0.00 N ATOM 698 CA ARG C 46 61.066 15.146 -4.281 1.00 0.00 C ATOM 699 C ARG C 46 59.936 14.812 -5.257 1.00 0.00 C ATOM 700 O ARG C 46 59.189 15.673 -5.679 1.00 0.00 O ATOM 701 CB ARG C 46 62.388 15.318 -5.027 1.00 0.00 C ATOM 702 CG ARG C 46 63.342 16.171 -4.187 1.00 0.00 C ATOM 703 CD ARG C 46 62.690 17.523 -3.887 1.00 0.00 C ATOM 704 NE ARG C 46 63.816 18.413 -3.488 1.00 0.00 N ATOM 705 CZ ARG C 46 64.279 19.297 -4.328 1.00 0.00 C ATOM 706 NH1 ARG C 46 64.565 18.947 -5.552 1.00 0.00 N ATOM 707 NH2 ARG C 46 64.454 20.533 -3.945 1.00 0.00 N ATOM 0 H ARG C 46 62.261 13.736 -3.210 1.00 0.00 H new ATOM 0 HA ARG C 46 60.780 16.057 -3.755 1.00 0.00 H new ATOM 0 HB2 ARG C 46 62.834 14.344 -5.227 1.00 0.00 H new ATOM 0 HB3 ARG C 46 62.214 15.793 -5.993 1.00 0.00 H new ATOM 0 HG2 ARG C 46 63.582 15.657 -3.256 1.00 0.00 H new ATOM 0 HG3 ARG C 46 64.281 16.319 -4.721 1.00 0.00 H new ATOM 0 HD2 ARG C 46 62.169 17.913 -4.762 1.00 0.00 H new ATOM 0 HD3 ARG C 46 61.953 17.437 -3.089 1.00 0.00 H new ATOM 0 HE ARG C 46 64.225 18.331 -2.557 1.00 0.00 H new ATOM 0 HH11 ARG C 46 64.427 17.982 -5.852 1.00 0.00 H new ATOM 0 HH12 ARG C 46 64.927 19.638 -6.209 1.00 0.00 H new ATOM 0 HH21 ARG C 46 64.229 20.807 -2.989 1.00 0.00 H new ATOM 0 HH22 ARG C 46 64.816 21.224 -4.602 1.00 0.00 H new ATOM 721 N MET C 47 59.801 13.563 -5.613 1.00 0.00 N ATOM 722 CA MET C 47 58.716 13.168 -6.555 1.00 0.00 C ATOM 723 C MET C 47 57.383 13.083 -5.808 1.00 0.00 C ATOM 724 O MET C 47 56.329 13.291 -6.374 1.00 0.00 O ATOM 725 CB MET C 47 59.124 11.791 -7.076 1.00 0.00 C ATOM 726 CG MET C 47 59.733 11.932 -8.472 1.00 0.00 C ATOM 727 SD MET C 47 58.465 11.597 -9.719 1.00 0.00 S ATOM 728 CE MET C 47 58.602 9.792 -9.704 1.00 0.00 C ATOM 0 H MET C 47 60.396 12.799 -5.292 1.00 0.00 H new ATOM 0 HA MET C 47 58.587 13.887 -7.364 1.00 0.00 H new ATOM 0 HB2 MET C 47 59.844 11.333 -6.398 1.00 0.00 H new ATOM 0 HB3 MET C 47 58.256 11.132 -7.111 1.00 0.00 H new ATOM 0 HG2 MET C 47 60.134 12.937 -8.606 1.00 0.00 H new ATOM 0 HG3 MET C 47 60.566 11.239 -8.589 1.00 0.00 H new ATOM 0 HE1 MET C 47 58.948 9.445 -10.678 1.00 0.00 H new ATOM 0 HE2 MET C 47 59.313 9.487 -8.936 1.00 0.00 H new ATOM 0 HE3 MET C 47 57.627 9.355 -9.489 1.00 0.00 H new ATOM 738 N LEU C 48 57.425 12.780 -4.538 1.00 0.00 N ATOM 739 CA LEU C 48 56.162 12.684 -3.751 1.00 0.00 C ATOM 740 C LEU C 48 55.619 14.084 -3.455 1.00 0.00 C ATOM 741 O LEU C 48 54.607 14.243 -2.800 1.00 0.00 O ATOM 742 CB LEU C 48 56.550 11.981 -2.448 1.00 0.00 C ATOM 743 CG LEU C 48 57.059 10.568 -2.743 1.00 0.00 C ATOM 744 CD1 LEU C 48 57.195 9.794 -1.431 1.00 0.00 C ATOM 745 CD2 LEU C 48 56.069 9.838 -3.651 1.00 0.00 C ATOM 0 H LEU C 48 58.279 12.595 -4.012 1.00 0.00 H new ATOM 0 HA LEU C 48 55.385 12.142 -4.290 1.00 0.00 H new ATOM 0 HB2 LEU C 48 57.321 12.553 -1.933 1.00 0.00 H new ATOM 0 HB3 LEU C 48 55.689 11.934 -1.781 1.00 0.00 H new ATOM 0 HG LEU C 48 58.027 10.634 -3.239 1.00 0.00 H new ATOM 0 HD11 LEU C 48 57.557 8.787 -1.638 1.00 0.00 H new ATOM 0 HD12 LEU C 48 57.901 10.306 -0.778 1.00 0.00 H new ATOM 0 HD13 LEU C 48 56.223 9.736 -0.940 1.00 0.00 H new ATOM 0 HD21 LEU C 48 56.437 8.833 -3.857 1.00 0.00 H new ATOM 0 HD22 LEU C 48 55.100 9.775 -3.156 1.00 0.00 H new ATOM 0 HD23 LEU C 48 55.963 10.385 -4.588 1.00 0.00 H new ATOM 757 N GLY C 49 56.289 15.102 -3.921 1.00 0.00 N ATOM 758 CA GLY C 49 55.817 16.489 -3.656 1.00 0.00 C ATOM 759 C GLY C 49 56.306 16.929 -2.277 1.00 0.00 C ATOM 760 O GLY C 49 55.743 17.811 -1.656 1.00 0.00 O ATOM 0 H GLY C 49 57.143 15.032 -4.474 1.00 0.00 H new ATOM 0 HA2 GLY C 49 56.193 17.167 -4.422 1.00 0.00 H new ATOM 0 HA3 GLY C 49 54.729 16.531 -3.700 1.00 0.00 H new ATOM 764 N GLN C 50 57.353 16.319 -1.793 1.00 0.00 N ATOM 765 CA GLN C 50 57.890 16.693 -0.453 1.00 0.00 C ATOM 766 C GLN C 50 59.405 16.484 -0.422 1.00 0.00 C ATOM 767 O GLN C 50 60.029 16.267 -1.443 1.00 0.00 O ATOM 768 CB GLN C 50 57.196 15.746 0.526 1.00 0.00 C ATOM 769 CG GLN C 50 56.138 16.516 1.320 1.00 0.00 C ATOM 770 CD GLN C 50 56.828 17.490 2.275 1.00 0.00 C ATOM 771 OE1 GLN C 50 58.009 17.748 2.151 1.00 0.00 O ATOM 772 NE2 GLN C 50 56.137 18.047 3.232 1.00 0.00 N ATOM 0 H GLN C 50 57.862 15.575 -2.270 1.00 0.00 H new ATOM 0 HA GLN C 50 57.707 17.739 -0.206 1.00 0.00 H new ATOM 0 HB2 GLN C 50 56.731 14.923 -0.016 1.00 0.00 H new ATOM 0 HB3 GLN C 50 57.928 15.308 1.205 1.00 0.00 H new ATOM 0 HG2 GLN C 50 55.482 17.060 0.640 1.00 0.00 H new ATOM 0 HG3 GLN C 50 55.512 15.822 1.881 1.00 0.00 H new ATOM 0 HE21 GLN C 50 55.146 17.831 3.337 1.00 0.00 H new ATOM 0 HE22 GLN C 50 56.588 18.698 3.875 1.00 0.00 H new ATOM 781 N ASN C 51 60.004 16.544 0.736 1.00 0.00 N ATOM 782 CA ASN C 51 61.480 16.344 0.815 1.00 0.00 C ATOM 783 C ASN C 51 61.949 16.376 2.272 1.00 0.00 C ATOM 784 O ASN C 51 62.214 17.429 2.817 1.00 0.00 O ATOM 785 CB ASN C 51 62.078 17.514 0.034 1.00 0.00 C ATOM 786 CG ASN C 51 63.424 17.094 -0.558 1.00 0.00 C ATOM 787 OD1 ASN C 51 63.523 16.070 -1.204 1.00 0.00 O ATOM 788 ND2 ASN C 51 64.471 17.848 -0.364 1.00 0.00 N ATOM 0 H ASN C 51 59.539 16.722 1.626 1.00 0.00 H new ATOM 0 HA ASN C 51 61.786 15.380 0.409 1.00 0.00 H new ATOM 0 HB2 ASN C 51 61.398 17.820 -0.761 1.00 0.00 H new ATOM 0 HB3 ASN C 51 62.209 18.374 0.690 1.00 0.00 H new ATOM 0 HD21 ASN C 51 65.374 17.578 -0.755 1.00 0.00 H new ATOM 0 HD22 ASN C 51 64.387 18.708 0.179 1.00 0.00 H new ATOM 795 N PRO C 52 62.044 15.210 2.852 1.00 0.00 N ATOM 796 CA PRO C 52 62.497 15.096 4.259 1.00 0.00 C ATOM 797 C PRO C 52 64.004 15.351 4.349 1.00 0.00 C ATOM 798 O PRO C 52 64.626 15.782 3.397 1.00 0.00 O ATOM 799 CB PRO C 52 62.165 13.651 4.623 1.00 0.00 C ATOM 800 CG PRO C 52 62.149 12.915 3.321 1.00 0.00 C ATOM 801 CD PRO C 52 61.742 13.902 2.257 1.00 0.00 C ATOM 0 HA PRO C 52 62.024 15.816 4.927 1.00 0.00 H new ATOM 0 HB2 PRO C 52 62.909 13.235 5.302 1.00 0.00 H new ATOM 0 HB3 PRO C 52 61.201 13.583 5.126 1.00 0.00 H new ATOM 0 HG2 PRO C 52 63.132 12.497 3.103 1.00 0.00 H new ATOM 0 HG3 PRO C 52 61.449 12.080 3.359 1.00 0.00 H new ATOM 0 HD2 PRO C 52 62.299 13.745 1.333 1.00 0.00 H new ATOM 0 HD3 PRO C 52 60.684 13.810 2.011 1.00 0.00 H new ATOM 809 N THR C 53 64.597 15.092 5.481 1.00 0.00 N ATOM 810 CA THR C 53 66.064 15.322 5.619 1.00 0.00 C ATOM 811 C THR C 53 66.829 14.017 5.380 1.00 0.00 C ATOM 812 O THR C 53 66.267 12.943 5.458 1.00 0.00 O ATOM 813 CB THR C 53 66.258 15.805 7.057 1.00 0.00 C ATOM 814 OG1 THR C 53 65.752 14.828 7.956 1.00 0.00 O ATOM 815 CG2 THR C 53 65.510 17.123 7.259 1.00 0.00 C ATOM 0 H THR C 53 64.132 14.732 6.315 1.00 0.00 H new ATOM 0 HA THR C 53 66.438 16.045 4.894 1.00 0.00 H new ATOM 0 HB THR C 53 67.320 15.959 7.249 1.00 0.00 H new ATOM 0 HG1 THR C 53 65.877 15.136 8.878 1.00 0.00 H new ATOM 0 HG21 THR C 53 65.649 17.467 8.284 1.00 0.00 H new ATOM 0 HG22 THR C 53 65.900 17.872 6.569 1.00 0.00 H new ATOM 0 HG23 THR C 53 64.448 16.971 7.068 1.00 0.00 H new ATOM 823 N PRO C 54 68.095 14.160 5.095 1.00 0.00 N ATOM 824 CA PRO C 54 68.958 12.980 4.839 1.00 0.00 C ATOM 825 C PRO C 54 69.242 12.233 6.145 1.00 0.00 C ATOM 826 O PRO C 54 69.647 11.087 6.140 1.00 0.00 O ATOM 827 CB PRO C 54 70.237 13.591 4.271 1.00 0.00 C ATOM 828 CG PRO C 54 70.266 14.991 4.798 1.00 0.00 C ATOM 829 CD PRO C 54 68.835 15.422 4.987 1.00 0.00 C ATOM 0 HA PRO C 54 68.504 12.252 4.167 1.00 0.00 H new ATOM 0 HB2 PRO C 54 71.117 13.031 4.589 1.00 0.00 H new ATOM 0 HB3 PRO C 54 70.229 13.580 3.181 1.00 0.00 H new ATOM 0 HG2 PRO C 54 70.810 15.036 5.742 1.00 0.00 H new ATOM 0 HG3 PRO C 54 70.779 15.654 4.102 1.00 0.00 H new ATOM 0 HD2 PRO C 54 68.717 16.032 5.883 1.00 0.00 H new ATOM 0 HD3 PRO C 54 68.484 16.020 4.146 1.00 0.00 H new ATOM 837 N GLU C 55 69.031 12.873 7.262 1.00 0.00 N ATOM 838 CA GLU C 55 69.288 12.200 8.566 1.00 0.00 C ATOM 839 C GLU C 55 68.188 11.176 8.857 1.00 0.00 C ATOM 840 O GLU C 55 68.431 10.136 9.436 1.00 0.00 O ATOM 841 CB GLU C 55 69.266 13.324 9.603 1.00 0.00 C ATOM 842 CG GLU C 55 69.619 12.759 10.980 1.00 0.00 C ATOM 843 CD GLU C 55 71.137 12.779 11.167 1.00 0.00 C ATOM 844 OE1 GLU C 55 71.806 13.395 10.353 1.00 0.00 O ATOM 845 OE2 GLU C 55 71.606 12.179 12.120 1.00 0.00 O ATOM 0 H GLU C 55 68.692 13.833 7.328 1.00 0.00 H new ATOM 0 HA GLU C 55 70.234 11.659 8.574 1.00 0.00 H new ATOM 0 HB2 GLU C 55 69.976 14.103 9.325 1.00 0.00 H new ATOM 0 HB3 GLU C 55 68.280 13.787 9.631 1.00 0.00 H new ATOM 0 HG2 GLU C 55 69.138 13.348 11.761 1.00 0.00 H new ATOM 0 HG3 GLU C 55 69.244 11.740 11.074 1.00 0.00 H new ATOM 852 N GLU C 56 66.977 11.461 8.458 1.00 0.00 N ATOM 853 CA GLU C 56 65.864 10.501 8.712 1.00 0.00 C ATOM 854 C GLU C 56 65.783 9.478 7.576 1.00 0.00 C ATOM 855 O GLU C 56 65.310 8.373 7.755 1.00 0.00 O ATOM 856 CB GLU C 56 64.598 11.358 8.756 1.00 0.00 C ATOM 857 CG GLU C 56 63.526 10.644 9.583 1.00 0.00 C ATOM 858 CD GLU C 56 63.119 11.519 10.772 1.00 0.00 C ATOM 859 OE1 GLU C 56 63.557 12.656 10.824 1.00 0.00 O ATOM 860 OE2 GLU C 56 62.376 11.036 11.609 1.00 0.00 O ATOM 0 H GLU C 56 66.711 12.315 7.968 1.00 0.00 H new ATOM 0 HA GLU C 56 66.005 9.941 9.636 1.00 0.00 H new ATOM 0 HB2 GLU C 56 64.820 12.332 9.192 1.00 0.00 H new ATOM 0 HB3 GLU C 56 64.233 11.538 7.745 1.00 0.00 H new ATOM 0 HG2 GLU C 56 62.656 10.432 8.962 1.00 0.00 H new ATOM 0 HG3 GLU C 56 63.906 9.686 9.938 1.00 0.00 H new ATOM 867 N LEU C 57 66.240 9.836 6.408 1.00 0.00 N ATOM 868 CA LEU C 57 66.188 8.880 5.266 1.00 0.00 C ATOM 869 C LEU C 57 66.792 7.536 5.678 1.00 0.00 C ATOM 870 O LEU C 57 66.209 6.492 5.464 1.00 0.00 O ATOM 871 CB LEU C 57 67.028 9.531 4.167 1.00 0.00 C ATOM 872 CG LEU C 57 66.192 9.652 2.893 1.00 0.00 C ATOM 873 CD1 LEU C 57 67.076 10.152 1.749 1.00 0.00 C ATOM 874 CD2 LEU C 57 65.616 8.283 2.529 1.00 0.00 C ATOM 0 H LEU C 57 66.646 10.747 6.195 1.00 0.00 H new ATOM 0 HA LEU C 57 65.168 8.683 4.936 1.00 0.00 H new ATOM 0 HB2 LEU C 57 67.366 10.516 4.488 1.00 0.00 H new ATOM 0 HB3 LEU C 57 67.920 8.935 3.975 1.00 0.00 H new ATOM 0 HG LEU C 57 65.377 10.357 3.059 1.00 0.00 H new ATOM 0 HD11 LEU C 57 66.481 10.239 0.840 1.00 0.00 H new ATOM 0 HD12 LEU C 57 67.488 11.128 2.007 1.00 0.00 H new ATOM 0 HD13 LEU C 57 67.890 9.447 1.583 1.00 0.00 H new ATOM 0 HD21 LEU C 57 65.020 8.369 1.621 1.00 0.00 H new ATOM 0 HD22 LEU C 57 66.431 7.578 2.363 1.00 0.00 H new ATOM 0 HD23 LEU C 57 64.986 7.925 3.344 1.00 0.00 H new ATOM 886 N GLN C 58 67.957 7.554 6.265 1.00 0.00 N ATOM 887 CA GLN C 58 68.598 6.277 6.687 1.00 0.00 C ATOM 888 C GLN C 58 67.657 5.488 7.602 1.00 0.00 C ATOM 889 O GLN C 58 67.631 4.274 7.581 1.00 0.00 O ATOM 890 CB GLN C 58 69.859 6.695 7.442 1.00 0.00 C ATOM 891 CG GLN C 58 71.059 5.913 6.905 1.00 0.00 C ATOM 892 CD GLN C 58 71.304 4.686 7.783 1.00 0.00 C ATOM 893 OE1 GLN C 58 71.182 4.755 8.991 1.00 0.00 O ATOM 894 NE2 GLN C 58 71.645 3.556 7.226 1.00 0.00 N ATOM 0 H GLN C 58 68.492 8.397 6.471 1.00 0.00 H new ATOM 0 HA GLN C 58 68.828 5.632 5.839 1.00 0.00 H new ATOM 0 HB2 GLN C 58 70.027 7.766 7.325 1.00 0.00 H new ATOM 0 HB3 GLN C 58 69.736 6.506 8.509 1.00 0.00 H new ATOM 0 HG2 GLN C 58 70.875 5.606 5.876 1.00 0.00 H new ATOM 0 HG3 GLN C 58 71.945 6.548 6.894 1.00 0.00 H new ATOM 0 HE21 GLN C 58 71.748 3.497 6.213 1.00 0.00 H new ATOM 0 HE22 GLN C 58 71.809 2.732 7.804 1.00 0.00 H new ATOM 903 N GLU C 59 66.882 6.168 8.403 1.00 0.00 N ATOM 904 CA GLU C 59 65.945 5.448 9.314 1.00 0.00 C ATOM 905 C GLU C 59 65.060 4.494 8.506 1.00 0.00 C ATOM 906 O GLU C 59 64.673 3.443 8.977 1.00 0.00 O ATOM 907 CB GLU C 59 65.103 6.544 9.968 1.00 0.00 C ATOM 908 CG GLU C 59 65.202 6.422 11.490 1.00 0.00 C ATOM 909 CD GLU C 59 64.640 5.071 11.933 1.00 0.00 C ATOM 910 OE1 GLU C 59 65.123 4.062 11.445 1.00 0.00 O ATOM 911 OE2 GLU C 59 63.737 5.067 12.753 1.00 0.00 O ATOM 0 H GLU C 59 66.856 7.186 8.466 1.00 0.00 H new ATOM 0 HA GLU C 59 66.468 4.845 10.056 1.00 0.00 H new ATOM 0 HB2 GLU C 59 65.452 7.526 9.648 1.00 0.00 H new ATOM 0 HB3 GLU C 59 64.063 6.456 9.652 1.00 0.00 H new ATOM 0 HG2 GLU C 59 66.241 6.516 11.806 1.00 0.00 H new ATOM 0 HG3 GLU C 59 64.649 7.231 11.967 1.00 0.00 H new ATOM 918 N MET C 60 64.745 4.848 7.290 1.00 0.00 N ATOM 919 CA MET C 60 63.896 3.955 6.451 1.00 0.00 C ATOM 920 C MET C 60 64.667 2.678 6.111 1.00 0.00 C ATOM 921 O MET C 60 64.093 1.629 5.897 1.00 0.00 O ATOM 922 CB MET C 60 63.605 4.757 5.182 1.00 0.00 C ATOM 923 CG MET C 60 63.063 6.137 5.559 1.00 0.00 C ATOM 924 SD MET C 60 61.270 6.166 5.321 1.00 0.00 S ATOM 925 CE MET C 60 61.109 7.946 5.041 1.00 0.00 C ATOM 0 H MET C 60 65.038 5.716 6.842 1.00 0.00 H new ATOM 0 HA MET C 60 62.979 3.655 6.959 1.00 0.00 H new ATOM 0 HB2 MET C 60 64.514 4.862 4.590 1.00 0.00 H new ATOM 0 HB3 MET C 60 62.881 4.227 4.563 1.00 0.00 H new ATOM 0 HG2 MET C 60 63.307 6.364 6.597 1.00 0.00 H new ATOM 0 HG3 MET C 60 63.535 6.905 4.946 1.00 0.00 H new ATOM 0 HE1 MET C 60 60.062 8.194 4.868 1.00 0.00 H new ATOM 0 HE2 MET C 60 61.470 8.486 5.916 1.00 0.00 H new ATOM 0 HE3 MET C 60 61.698 8.232 4.170 1.00 0.00 H new ATOM 935 N ILE C 61 65.968 2.766 6.059 1.00 0.00 N ATOM 936 CA ILE C 61 66.790 1.567 5.732 1.00 0.00 C ATOM 937 C ILE C 61 67.129 0.792 7.008 1.00 0.00 C ATOM 938 O ILE C 61 67.367 -0.399 6.977 1.00 0.00 O ATOM 939 CB ILE C 61 68.058 2.133 5.093 1.00 0.00 C ATOM 940 CG1 ILE C 61 67.742 2.597 3.669 1.00 0.00 C ATOM 941 CG2 ILE C 61 69.143 1.055 5.049 1.00 0.00 C ATOM 942 CD1 ILE C 61 67.261 4.048 3.699 1.00 0.00 C ATOM 0 H ILE C 61 66.499 3.620 6.230 1.00 0.00 H new ATOM 0 HA ILE C 61 66.271 0.872 5.072 1.00 0.00 H new ATOM 0 HB ILE C 61 68.415 2.976 5.684 1.00 0.00 H new ATOM 0 HG12 ILE C 61 68.629 2.510 3.042 1.00 0.00 H new ATOM 0 HG13 ILE C 61 66.976 1.958 3.229 1.00 0.00 H new ATOM 0 HG21 ILE C 61 70.044 1.464 4.593 1.00 0.00 H new ATOM 0 HG22 ILE C 61 69.368 0.724 6.063 1.00 0.00 H new ATOM 0 HG23 ILE C 61 68.791 0.208 4.460 1.00 0.00 H new ATOM 0 HD11 ILE C 61 67.036 4.378 2.685 1.00 0.00 H new ATOM 0 HD12 ILE C 61 66.363 4.121 4.312 1.00 0.00 H new ATOM 0 HD13 ILE C 61 68.041 4.681 4.122 1.00 0.00 H new ATOM 954 N ASP C 62 67.160 1.459 8.130 1.00 0.00 N ATOM 955 CA ASP C 62 67.491 0.760 9.405 1.00 0.00 C ATOM 956 C ASP C 62 66.234 0.128 10.010 1.00 0.00 C ATOM 957 O ASP C 62 66.305 -0.640 10.948 1.00 0.00 O ATOM 958 CB ASP C 62 68.037 1.852 10.324 1.00 0.00 C ATOM 959 CG ASP C 62 69.558 1.725 10.422 1.00 0.00 C ATOM 960 OD1 ASP C 62 70.189 1.570 9.390 1.00 0.00 O ATOM 961 OD2 ASP C 62 70.068 1.784 11.530 1.00 0.00 O ATOM 0 H ASP C 62 66.971 2.457 8.219 1.00 0.00 H new ATOM 0 HA ASP C 62 68.209 -0.047 9.257 1.00 0.00 H new ATOM 0 HB2 ASP C 62 67.768 2.835 9.938 1.00 0.00 H new ATOM 0 HB3 ASP C 62 67.590 1.765 11.314 1.00 0.00 H new ATOM 966 N GLU C 63 65.083 0.447 9.483 1.00 0.00 N ATOM 967 CA GLU C 63 63.824 -0.135 10.033 1.00 0.00 C ATOM 968 C GLU C 63 63.657 -1.584 9.564 1.00 0.00 C ATOM 969 O GLU C 63 62.846 -2.324 10.085 1.00 0.00 O ATOM 970 CB GLU C 63 62.703 0.742 9.473 1.00 0.00 C ATOM 971 CG GLU C 63 61.354 0.242 9.995 1.00 0.00 C ATOM 972 CD GLU C 63 60.229 0.817 9.132 1.00 0.00 C ATOM 973 OE1 GLU C 63 59.868 1.962 9.350 1.00 0.00 O ATOM 974 OE2 GLU C 63 59.747 0.102 8.269 1.00 0.00 O ATOM 0 H GLU C 63 64.959 1.085 8.696 1.00 0.00 H new ATOM 0 HA GLU C 63 63.822 -0.154 11.123 1.00 0.00 H new ATOM 0 HB2 GLU C 63 62.857 1.780 9.768 1.00 0.00 H new ATOM 0 HB3 GLU C 63 62.716 0.715 8.383 1.00 0.00 H new ATOM 0 HG2 GLU C 63 61.324 -0.847 9.972 1.00 0.00 H new ATOM 0 HG3 GLU C 63 61.220 0.543 11.034 1.00 0.00 H new ATOM 981 N VAL C 64 64.417 -1.997 8.585 1.00 0.00 N ATOM 982 CA VAL C 64 64.292 -3.399 8.090 1.00 0.00 C ATOM 983 C VAL C 64 65.674 -3.986 7.787 1.00 0.00 C ATOM 984 O VAL C 64 65.802 -4.947 7.055 1.00 0.00 O ATOM 985 CB VAL C 64 63.462 -3.296 6.812 1.00 0.00 C ATOM 986 CG1 VAL C 64 62.031 -2.886 7.162 1.00 0.00 C ATOM 987 CG2 VAL C 64 64.081 -2.245 5.886 1.00 0.00 C ATOM 0 H VAL C 64 65.116 -1.427 8.108 1.00 0.00 H new ATOM 0 HA VAL C 64 63.828 -4.054 8.827 1.00 0.00 H new ATOM 0 HB VAL C 64 63.449 -4.263 6.309 1.00 0.00 H new ATOM 0 HG11 VAL C 64 61.440 -2.813 6.249 1.00 0.00 H new ATOM 0 HG12 VAL C 64 61.589 -3.633 7.821 1.00 0.00 H new ATOM 0 HG13 VAL C 64 62.042 -1.919 7.665 1.00 0.00 H new ATOM 0 HG21 VAL C 64 63.490 -2.171 4.973 1.00 0.00 H new ATOM 0 HG22 VAL C 64 64.094 -1.279 6.390 1.00 0.00 H new ATOM 0 HG23 VAL C 64 65.101 -2.537 5.635 1.00 0.00 H new ATOM 997 N ASP C 65 66.710 -3.421 8.347 1.00 0.00 N ATOM 998 CA ASP C 65 68.079 -3.955 8.089 1.00 0.00 C ATOM 999 C ASP C 65 68.338 -5.182 8.967 1.00 0.00 C ATOM 1000 O ASP C 65 68.281 -5.113 10.179 1.00 0.00 O ATOM 1001 CB ASP C 65 69.026 -2.814 8.463 1.00 0.00 C ATOM 1002 CG ASP C 65 70.286 -2.892 7.598 1.00 0.00 C ATOM 1003 OD1 ASP C 65 70.178 -3.339 6.468 1.00 0.00 O ATOM 1004 OD2 ASP C 65 71.338 -2.505 8.081 1.00 0.00 O ATOM 0 H ASP C 65 66.668 -2.615 8.970 1.00 0.00 H new ATOM 0 HA ASP C 65 68.214 -4.271 7.054 1.00 0.00 H new ATOM 0 HB2 ASP C 65 68.531 -1.854 8.317 1.00 0.00 H new ATOM 0 HB3 ASP C 65 69.292 -2.879 9.518 1.00 0.00 H new ATOM 1009 N GLU C 66 68.620 -6.306 8.366 1.00 0.00 N ATOM 1010 CA GLU C 66 68.878 -7.536 9.169 1.00 0.00 C ATOM 1011 C GLU C 66 70.249 -8.124 8.821 1.00 0.00 C ATOM 1012 O GLU C 66 70.446 -9.322 8.856 1.00 0.00 O ATOM 1013 CB GLU C 66 67.764 -8.506 8.773 1.00 0.00 C ATOM 1014 CG GLU C 66 66.911 -8.833 10.000 1.00 0.00 C ATOM 1015 CD GLU C 66 67.734 -9.663 10.986 1.00 0.00 C ATOM 1016 OE1 GLU C 66 68.949 -9.633 10.885 1.00 0.00 O ATOM 1017 OE2 GLU C 66 67.135 -10.314 11.825 1.00 0.00 O ATOM 0 H GLU C 66 68.683 -6.426 7.355 1.00 0.00 H new ATOM 0 HA GLU C 66 68.885 -7.334 10.240 1.00 0.00 H new ATOM 0 HB2 GLU C 66 67.144 -8.065 7.993 1.00 0.00 H new ATOM 0 HB3 GLU C 66 68.192 -9.420 8.361 1.00 0.00 H new ATOM 0 HG2 GLU C 66 66.572 -7.913 10.476 1.00 0.00 H new ATOM 0 HG3 GLU C 66 66.019 -9.384 9.700 1.00 0.00 H new ATOM 1024 N ASP C 67 71.197 -7.292 8.488 1.00 0.00 N ATOM 1025 CA ASP C 67 72.553 -7.808 8.139 1.00 0.00 C ATOM 1026 C ASP C 67 73.619 -6.766 8.488 1.00 0.00 C ATOM 1027 O ASP C 67 74.654 -7.085 9.040 1.00 0.00 O ATOM 1028 CB ASP C 67 72.509 -8.049 6.629 1.00 0.00 C ATOM 1029 CG ASP C 67 72.181 -6.739 5.910 1.00 0.00 C ATOM 1030 OD1 ASP C 67 71.605 -5.868 6.540 1.00 0.00 O ATOM 1031 OD2 ASP C 67 72.511 -6.630 4.741 1.00 0.00 O ATOM 0 H ASP C 67 71.093 -6.278 8.442 1.00 0.00 H new ATOM 0 HA ASP C 67 72.805 -8.716 8.688 1.00 0.00 H new ATOM 0 HB2 ASP C 67 73.468 -8.435 6.284 1.00 0.00 H new ATOM 0 HB3 ASP C 67 71.758 -8.803 6.393 1.00 0.00 H new ATOM 1036 N GLY C 68 73.376 -5.525 8.171 1.00 0.00 N ATOM 1037 CA GLY C 68 74.376 -4.465 8.485 1.00 0.00 C ATOM 1038 C GLY C 68 74.992 -3.942 7.187 1.00 0.00 C ATOM 1039 O GLY C 68 76.106 -3.455 7.169 1.00 0.00 O ATOM 0 H GLY C 68 72.528 -5.198 7.708 1.00 0.00 H new ATOM 0 HA2 GLY C 68 73.898 -3.649 9.027 1.00 0.00 H new ATOM 0 HA3 GLY C 68 75.155 -4.866 9.134 1.00 0.00 H new ATOM 1043 N SER C 69 74.279 -4.035 6.098 1.00 0.00 N ATOM 1044 CA SER C 69 74.828 -3.540 4.803 1.00 0.00 C ATOM 1045 C SER C 69 74.471 -2.065 4.604 1.00 0.00 C ATOM 1046 O SER C 69 74.869 -1.444 3.639 1.00 0.00 O ATOM 1047 CB SER C 69 74.162 -4.403 3.732 1.00 0.00 C ATOM 1048 OG SER C 69 72.749 -4.312 3.867 1.00 0.00 O ATOM 0 H SER C 69 73.341 -4.432 6.049 1.00 0.00 H new ATOM 0 HA SER C 69 75.915 -3.610 4.764 1.00 0.00 H new ATOM 0 HB2 SER C 69 74.466 -4.070 2.740 1.00 0.00 H new ATOM 0 HB3 SER C 69 74.483 -5.440 3.833 1.00 0.00 H new ATOM 0 HG SER C 69 72.361 -5.212 3.854 1.00 0.00 H new ATOM 1054 N GLY C 70 73.723 -1.499 5.512 1.00 0.00 N ATOM 1055 CA GLY C 70 73.343 -0.064 5.375 1.00 0.00 C ATOM 1056 C GLY C 70 72.493 0.124 4.117 1.00 0.00 C ATOM 1057 O GLY C 70 72.405 1.205 3.572 1.00 0.00 O ATOM 0 H GLY C 70 73.359 -1.968 6.342 1.00 0.00 H new ATOM 0 HA2 GLY C 70 72.786 0.261 6.254 1.00 0.00 H new ATOM 0 HA3 GLY C 70 74.238 0.556 5.317 1.00 0.00 H new ATOM 1061 N THR C 71 71.867 -0.922 3.652 1.00 0.00 N ATOM 1062 CA THR C 71 71.024 -0.802 2.429 1.00 0.00 C ATOM 1063 C THR C 71 69.782 -1.689 2.555 1.00 0.00 C ATOM 1064 O THR C 71 69.635 -2.434 3.503 1.00 0.00 O ATOM 1065 CB THR C 71 71.915 -1.283 1.283 1.00 0.00 C ATOM 1066 OG1 THR C 71 72.603 -2.459 1.682 1.00 0.00 O ATOM 1067 CG2 THR C 71 72.926 -0.192 0.929 1.00 0.00 C ATOM 0 H THR C 71 71.903 -1.854 4.066 1.00 0.00 H new ATOM 0 HA THR C 71 70.671 0.217 2.268 1.00 0.00 H new ATOM 0 HB THR C 71 71.300 -1.501 0.410 1.00 0.00 H new ATOM 0 HG1 THR C 71 73.173 -2.769 0.948 1.00 0.00 H new ATOM 0 HG21 THR C 71 73.561 -0.535 0.112 1.00 0.00 H new ATOM 0 HG22 THR C 71 72.396 0.710 0.622 1.00 0.00 H new ATOM 0 HG23 THR C 71 73.543 0.029 1.800 1.00 0.00 H new ATOM 1075 N VAL C 72 68.887 -1.614 1.608 1.00 0.00 N ATOM 1076 CA VAL C 72 67.657 -2.453 1.680 1.00 0.00 C ATOM 1077 C VAL C 72 67.516 -3.303 0.414 1.00 0.00 C ATOM 1078 O VAL C 72 67.826 -2.867 -0.678 1.00 0.00 O ATOM 1079 CB VAL C 72 66.503 -1.457 1.786 1.00 0.00 C ATOM 1080 CG1 VAL C 72 65.183 -2.172 1.495 1.00 0.00 C ATOM 1081 CG2 VAL C 72 66.464 -0.872 3.198 1.00 0.00 C ATOM 0 H VAL C 72 68.954 -1.009 0.789 1.00 0.00 H new ATOM 0 HA VAL C 72 67.680 -3.143 2.523 1.00 0.00 H new ATOM 0 HB VAL C 72 66.648 -0.654 1.063 1.00 0.00 H new ATOM 0 HG11 VAL C 72 64.360 -1.461 1.571 1.00 0.00 H new ATOM 0 HG12 VAL C 72 65.210 -2.590 0.489 1.00 0.00 H new ATOM 0 HG13 VAL C 72 65.037 -2.975 2.218 1.00 0.00 H new ATOM 0 HG21 VAL C 72 65.641 -0.161 3.275 1.00 0.00 H new ATOM 0 HG22 VAL C 72 66.319 -1.675 3.921 1.00 0.00 H new ATOM 0 HG23 VAL C 72 67.404 -0.362 3.407 1.00 0.00 H new ATOM 1091 N ASP C 73 67.042 -4.510 0.553 1.00 0.00 N ATOM 1092 CA ASP C 73 66.871 -5.389 -0.638 1.00 0.00 C ATOM 1093 C ASP C 73 65.403 -5.799 -0.776 1.00 0.00 C ATOM 1094 O ASP C 73 64.562 -5.390 -0.002 1.00 0.00 O ATOM 1095 CB ASP C 73 67.746 -6.612 -0.359 1.00 0.00 C ATOM 1096 CG ASP C 73 69.131 -6.400 -0.972 1.00 0.00 C ATOM 1097 OD1 ASP C 73 69.518 -5.253 -1.129 1.00 0.00 O ATOM 1098 OD2 ASP C 73 69.780 -7.387 -1.275 1.00 0.00 O ATOM 0 H ASP C 73 66.765 -4.927 1.442 1.00 0.00 H new ATOM 0 HA ASP C 73 67.154 -4.892 -1.566 1.00 0.00 H new ATOM 0 HB2 ASP C 73 67.833 -6.772 0.716 1.00 0.00 H new ATOM 0 HB3 ASP C 73 67.284 -7.506 -0.778 1.00 0.00 H new ATOM 1103 N PHE C 74 65.088 -6.608 -1.750 1.00 0.00 N ATOM 1104 CA PHE C 74 63.673 -7.039 -1.924 1.00 0.00 C ATOM 1105 C PHE C 74 63.197 -7.785 -0.676 1.00 0.00 C ATOM 1106 O PHE C 74 62.019 -8.017 -0.489 1.00 0.00 O ATOM 1107 CB PHE C 74 63.685 -7.973 -3.135 1.00 0.00 C ATOM 1108 CG PHE C 74 62.265 -8.308 -3.525 1.00 0.00 C ATOM 1109 CD1 PHE C 74 61.320 -7.285 -3.672 1.00 0.00 C ATOM 1110 CD2 PHE C 74 61.895 -9.640 -3.739 1.00 0.00 C ATOM 1111 CE1 PHE C 74 60.004 -7.596 -4.036 1.00 0.00 C ATOM 1112 CE2 PHE C 74 60.580 -9.951 -4.102 1.00 0.00 C ATOM 1113 CZ PHE C 74 59.634 -8.930 -4.250 1.00 0.00 C ATOM 0 H PHE C 74 65.747 -6.988 -2.430 1.00 0.00 H new ATOM 0 HA PHE C 74 62.999 -6.195 -2.071 1.00 0.00 H new ATOM 0 HB2 PHE C 74 64.200 -7.498 -3.970 1.00 0.00 H new ATOM 0 HB3 PHE C 74 64.234 -8.885 -2.899 1.00 0.00 H new ATOM 0 HD1 PHE C 74 61.606 -6.257 -3.505 1.00 0.00 H new ATOM 0 HD2 PHE C 74 62.624 -10.428 -3.624 1.00 0.00 H new ATOM 0 HE1 PHE C 74 59.275 -6.808 -4.152 1.00 0.00 H new ATOM 0 HE2 PHE C 74 60.295 -10.979 -4.268 1.00 0.00 H new ATOM 0 HZ PHE C 74 58.619 -9.171 -4.529 1.00 0.00 H new ATOM 1123 N ASP C 75 64.107 -8.163 0.182 1.00 0.00 N ATOM 1124 CA ASP C 75 63.708 -8.893 1.420 1.00 0.00 C ATOM 1125 C ASP C 75 63.351 -7.899 2.528 1.00 0.00 C ATOM 1126 O ASP C 75 62.220 -7.820 2.964 1.00 0.00 O ATOM 1127 CB ASP C 75 64.938 -9.715 1.808 1.00 0.00 C ATOM 1128 CG ASP C 75 65.168 -10.811 0.765 1.00 0.00 C ATOM 1129 OD1 ASP C 75 65.233 -10.482 -0.408 1.00 0.00 O ATOM 1130 OD2 ASP C 75 65.279 -11.961 1.158 1.00 0.00 O ATOM 0 H ASP C 75 65.108 -7.998 0.079 1.00 0.00 H new ATOM 0 HA ASP C 75 62.831 -9.522 1.266 1.00 0.00 H new ATOM 0 HB2 ASP C 75 65.814 -9.070 1.873 1.00 0.00 H new ATOM 0 HB3 ASP C 75 64.796 -10.159 2.793 1.00 0.00 H new ATOM 1135 N GLU C 76 64.307 -7.136 2.986 1.00 0.00 N ATOM 1136 CA GLU C 76 64.020 -6.147 4.064 1.00 0.00 C ATOM 1137 C GLU C 76 62.950 -5.153 3.601 1.00 0.00 C ATOM 1138 O GLU C 76 62.165 -4.660 4.387 1.00 0.00 O ATOM 1139 CB GLU C 76 65.350 -5.430 4.306 1.00 0.00 C ATOM 1140 CG GLU C 76 66.384 -6.430 4.828 1.00 0.00 C ATOM 1141 CD GLU C 76 67.750 -5.747 4.929 1.00 0.00 C ATOM 1142 OE1 GLU C 76 67.831 -4.577 4.595 1.00 0.00 O ATOM 1143 OE2 GLU C 76 68.690 -6.408 5.338 1.00 0.00 O ATOM 0 H GLU C 76 65.273 -7.155 2.660 1.00 0.00 H new ATOM 0 HA GLU C 76 63.641 -6.621 4.969 1.00 0.00 H new ATOM 0 HB2 GLU C 76 65.704 -4.976 3.380 1.00 0.00 H new ATOM 0 HB3 GLU C 76 65.214 -4.623 5.026 1.00 0.00 H new ATOM 0 HG2 GLU C 76 66.081 -6.806 5.805 1.00 0.00 H new ATOM 0 HG3 GLU C 76 66.444 -7.289 4.160 1.00 0.00 H new ATOM 1150 N PHE C 77 62.916 -4.855 2.331 1.00 0.00 N ATOM 1151 CA PHE C 77 61.899 -3.893 1.813 1.00 0.00 C ATOM 1152 C PHE C 77 60.484 -4.442 2.034 1.00 0.00 C ATOM 1153 O PHE C 77 59.571 -3.712 2.363 1.00 0.00 O ATOM 1154 CB PHE C 77 62.208 -3.766 0.319 1.00 0.00 C ATOM 1155 CG PHE C 77 61.007 -3.213 -0.412 1.00 0.00 C ATOM 1156 CD1 PHE C 77 60.745 -1.838 -0.393 1.00 0.00 C ATOM 1157 CD2 PHE C 77 60.157 -4.078 -1.112 1.00 0.00 C ATOM 1158 CE1 PHE C 77 59.632 -1.328 -1.072 1.00 0.00 C ATOM 1159 CE2 PHE C 77 59.044 -3.569 -1.791 1.00 0.00 C ATOM 1160 CZ PHE C 77 58.782 -2.194 -1.772 1.00 0.00 C ATOM 0 H PHE C 77 63.549 -5.236 1.628 1.00 0.00 H new ATOM 0 HA PHE C 77 61.940 -2.929 2.321 1.00 0.00 H new ATOM 0 HB2 PHE C 77 63.067 -3.111 0.171 1.00 0.00 H new ATOM 0 HB3 PHE C 77 62.476 -4.740 -0.089 1.00 0.00 H new ATOM 0 HD1 PHE C 77 61.402 -1.171 0.145 1.00 0.00 H new ATOM 0 HD2 PHE C 77 60.360 -5.139 -1.128 1.00 0.00 H new ATOM 0 HE1 PHE C 77 59.429 -0.267 -1.056 1.00 0.00 H new ATOM 0 HE2 PHE C 77 58.388 -4.237 -2.329 1.00 0.00 H new ATOM 0 HZ PHE C 77 57.924 -1.801 -2.297 1.00 0.00 H new ATOM 1170 N LEU C 78 60.294 -5.720 1.851 1.00 0.00 N ATOM 1171 CA LEU C 78 58.936 -6.306 2.047 1.00 0.00 C ATOM 1172 C LEU C 78 58.465 -6.082 3.488 1.00 0.00 C ATOM 1173 O LEU C 78 57.353 -5.653 3.726 1.00 0.00 O ATOM 1174 CB LEU C 78 59.101 -7.798 1.761 1.00 0.00 C ATOM 1175 CG LEU C 78 58.547 -8.112 0.370 1.00 0.00 C ATOM 1176 CD1 LEU C 78 58.711 -9.605 0.078 1.00 0.00 C ATOM 1177 CD2 LEU C 78 57.063 -7.742 0.318 1.00 0.00 C ATOM 0 H LEU C 78 61.018 -6.383 1.575 1.00 0.00 H new ATOM 0 HA LEU C 78 58.192 -5.848 1.396 1.00 0.00 H new ATOM 0 HB2 LEU C 78 60.153 -8.076 1.817 1.00 0.00 H new ATOM 0 HB3 LEU C 78 58.576 -8.384 2.515 1.00 0.00 H new ATOM 0 HG LEU C 78 59.093 -7.535 -0.377 1.00 0.00 H new ATOM 0 HD11 LEU C 78 58.316 -9.827 -0.913 1.00 0.00 H new ATOM 0 HD12 LEU C 78 59.768 -9.869 0.115 1.00 0.00 H new ATOM 0 HD13 LEU C 78 58.166 -10.184 0.824 1.00 0.00 H new ATOM 0 HD21 LEU C 78 56.667 -7.965 -0.673 1.00 0.00 H new ATOM 0 HD22 LEU C 78 56.518 -8.319 1.065 1.00 0.00 H new ATOM 0 HD23 LEU C 78 56.946 -6.678 0.524 1.00 0.00 H new ATOM 1189 N VAL C 79 59.300 -6.368 4.447 1.00 0.00 N ATOM 1190 CA VAL C 79 58.897 -6.168 5.868 1.00 0.00 C ATOM 1191 C VAL C 79 58.524 -4.703 6.108 1.00 0.00 C ATOM 1192 O VAL C 79 57.741 -4.385 6.980 1.00 0.00 O ATOM 1193 CB VAL C 79 60.129 -6.551 6.686 1.00 0.00 C ATOM 1194 CG1 VAL C 79 59.974 -6.033 8.117 1.00 0.00 C ATOM 1195 CG2 VAL C 79 60.271 -8.074 6.709 1.00 0.00 C ATOM 0 H VAL C 79 60.243 -6.731 4.309 1.00 0.00 H new ATOM 0 HA VAL C 79 58.027 -6.765 6.141 1.00 0.00 H new ATOM 0 HB VAL C 79 61.017 -6.109 6.234 1.00 0.00 H new ATOM 0 HG11 VAL C 79 60.853 -6.307 8.700 1.00 0.00 H new ATOM 0 HG12 VAL C 79 59.872 -4.948 8.102 1.00 0.00 H new ATOM 0 HG13 VAL C 79 59.086 -6.475 8.570 1.00 0.00 H new ATOM 0 HG21 VAL C 79 61.150 -8.349 7.292 1.00 0.00 H new ATOM 0 HG22 VAL C 79 59.383 -8.515 7.161 1.00 0.00 H new ATOM 0 HG23 VAL C 79 60.382 -8.445 5.690 1.00 0.00 H new ATOM 1205 N MET C 80 59.078 -3.809 5.336 1.00 0.00 N ATOM 1206 CA MET C 80 58.757 -2.364 5.516 1.00 0.00 C ATOM 1207 C MET C 80 57.332 -2.075 5.033 1.00 0.00 C ATOM 1208 O MET C 80 56.714 -1.110 5.438 1.00 0.00 O ATOM 1209 CB MET C 80 59.774 -1.621 4.648 1.00 0.00 C ATOM 1210 CG MET C 80 59.937 -0.189 5.160 1.00 0.00 C ATOM 1211 SD MET C 80 58.961 0.935 4.131 1.00 0.00 S ATOM 1212 CE MET C 80 60.029 0.891 2.671 1.00 0.00 C ATOM 0 H MET C 80 59.740 -4.016 4.588 1.00 0.00 H new ATOM 0 HA MET C 80 58.809 -2.057 6.561 1.00 0.00 H new ATOM 0 HB2 MET C 80 60.733 -2.138 4.671 1.00 0.00 H new ATOM 0 HB3 MET C 80 59.443 -1.611 3.610 1.00 0.00 H new ATOM 0 HG2 MET C 80 59.612 -0.124 6.198 1.00 0.00 H new ATOM 0 HG3 MET C 80 60.988 0.099 5.136 1.00 0.00 H new ATOM 0 HE1 MET C 80 60.072 1.883 2.221 1.00 0.00 H new ATOM 0 HE2 MET C 80 61.032 0.582 2.963 1.00 0.00 H new ATOM 0 HE3 MET C 80 59.627 0.182 1.947 1.00 0.00 H new ATOM 1222 N MET C 81 56.808 -2.904 4.173 1.00 0.00 N ATOM 1223 CA MET C 81 55.424 -2.675 3.665 1.00 0.00 C ATOM 1224 C MET C 81 54.401 -3.295 4.621 1.00 0.00 C ATOM 1225 O MET C 81 53.217 -3.041 4.526 1.00 0.00 O ATOM 1226 CB MET C 81 55.380 -3.375 2.306 1.00 0.00 C ATOM 1227 CG MET C 81 56.130 -2.531 1.272 1.00 0.00 C ATOM 1228 SD MET C 81 55.072 -1.168 0.723 1.00 0.00 S ATOM 1229 CE MET C 81 56.385 0.051 0.473 1.00 0.00 C ATOM 0 H MET C 81 57.277 -3.729 3.800 1.00 0.00 H new ATOM 0 HA MET C 81 55.183 -1.615 3.586 1.00 0.00 H new ATOM 0 HB2 MET C 81 55.831 -4.364 2.380 1.00 0.00 H new ATOM 0 HB3 MET C 81 54.346 -3.519 1.993 1.00 0.00 H new ATOM 0 HG2 MET C 81 57.050 -2.139 1.705 1.00 0.00 H new ATOM 0 HG3 MET C 81 56.416 -3.149 0.421 1.00 0.00 H new ATOM 0 HE1 MET C 81 55.943 1.021 0.248 1.00 0.00 H new ATOM 0 HE2 MET C 81 56.987 0.128 1.378 1.00 0.00 H new ATOM 0 HE3 MET C 81 57.018 -0.261 -0.358 1.00 0.00 H new ATOM 1239 N VAL C 82 54.848 -4.104 5.542 1.00 0.00 N ATOM 1240 CA VAL C 82 53.900 -4.737 6.503 1.00 0.00 C ATOM 1241 C VAL C 82 53.892 -3.963 7.826 1.00 0.00 C ATOM 1242 O VAL C 82 52.881 -3.866 8.493 1.00 0.00 O ATOM 1243 CB VAL C 82 54.436 -6.152 6.718 1.00 0.00 C ATOM 1244 CG1 VAL C 82 53.385 -6.990 7.448 1.00 0.00 C ATOM 1245 CG2 VAL C 82 54.744 -6.792 5.362 1.00 0.00 C ATOM 0 H VAL C 82 55.828 -4.354 5.671 1.00 0.00 H new ATOM 0 HA VAL C 82 52.876 -4.741 6.128 1.00 0.00 H new ATOM 0 HB VAL C 82 55.346 -6.108 7.316 1.00 0.00 H new ATOM 0 HG11 VAL C 82 53.767 -7.999 7.602 1.00 0.00 H new ATOM 0 HG12 VAL C 82 53.163 -6.535 8.413 1.00 0.00 H new ATOM 0 HG13 VAL C 82 52.475 -7.034 6.850 1.00 0.00 H new ATOM 0 HG21 VAL C 82 55.126 -7.801 5.514 1.00 0.00 H new ATOM 0 HG22 VAL C 82 53.833 -6.835 4.765 1.00 0.00 H new ATOM 0 HG23 VAL C 82 55.492 -6.196 4.840 1.00 0.00 H new ATOM 1255 N ARG C 83 55.011 -3.412 8.209 1.00 0.00 N ATOM 1256 CA ARG C 83 55.065 -2.645 9.487 1.00 0.00 C ATOM 1257 C ARG C 83 54.287 -1.334 9.351 1.00 0.00 C ATOM 1258 O ARG C 83 53.845 -0.759 10.325 1.00 0.00 O ATOM 1259 CB ARG C 83 56.551 -2.366 9.717 1.00 0.00 C ATOM 1260 CG ARG C 83 57.175 -3.524 10.497 1.00 0.00 C ATOM 1261 CD ARG C 83 58.526 -3.087 11.070 1.00 0.00 C ATOM 1262 NE ARG C 83 58.231 -1.856 11.854 1.00 0.00 N ATOM 1263 CZ ARG C 83 58.104 -1.925 13.150 1.00 0.00 C ATOM 1264 NH1 ARG C 83 57.432 -2.906 13.688 1.00 0.00 N ATOM 1265 NH2 ARG C 83 58.647 -1.012 13.909 1.00 0.00 N ATOM 0 H ARG C 83 55.890 -3.459 7.693 1.00 0.00 H new ATOM 0 HA ARG C 83 54.619 -3.193 10.317 1.00 0.00 H new ATOM 0 HB2 ARG C 83 57.060 -2.242 8.761 1.00 0.00 H new ATOM 0 HB3 ARG C 83 56.675 -1.434 10.268 1.00 0.00 H new ATOM 0 HG2 ARG C 83 56.510 -3.834 11.303 1.00 0.00 H new ATOM 0 HG3 ARG C 83 57.307 -4.387 9.844 1.00 0.00 H new ATOM 0 HD2 ARG C 83 58.957 -3.864 11.702 1.00 0.00 H new ATOM 0 HD3 ARG C 83 59.245 -2.887 10.276 1.00 0.00 H new ATOM 0 HE ARG C 83 58.128 -0.960 11.378 1.00 0.00 H new ATOM 0 HH11 ARG C 83 57.006 -3.618 13.095 1.00 0.00 H new ATOM 0 HH12 ARG C 83 57.332 -2.960 14.702 1.00 0.00 H new ATOM 0 HH21 ARG C 83 59.171 -0.244 13.488 1.00 0.00 H new ATOM 0 HH22 ARG C 83 58.547 -1.066 14.923 1.00 0.00 H new ATOM 1279 N CYS C 84 54.118 -0.855 8.148 1.00 0.00 N ATOM 1280 CA CYS C 84 53.369 0.420 7.951 1.00 0.00 C ATOM 1281 C CYS C 84 51.861 0.156 7.948 1.00 0.00 C ATOM 1282 O CYS C 84 51.065 1.053 7.752 1.00 0.00 O ATOM 1283 CB CYS C 84 53.823 0.939 6.586 1.00 0.00 C ATOM 1284 SG CYS C 84 53.171 -0.138 5.285 1.00 0.00 S ATOM 0 H CYS C 84 54.466 -1.291 7.294 1.00 0.00 H new ATOM 0 HA CYS C 84 53.563 1.138 8.747 1.00 0.00 H new ATOM 0 HB2 CYS C 84 53.472 1.960 6.438 1.00 0.00 H new ATOM 0 HB3 CYS C 84 54.912 0.966 6.539 1.00 0.00 H new ATOM 0 HG CYS C 84 53.555 0.303 4.124 1.00 0.00 H new ATOM 1290 N MET C 85 51.462 -1.068 8.160 1.00 0.00 N ATOM 1291 CA MET C 85 50.005 -1.385 8.167 1.00 0.00 C ATOM 1292 C MET C 85 49.394 -1.039 9.528 1.00 0.00 C ATOM 1293 O MET C 85 49.171 -1.900 10.356 1.00 0.00 O ATOM 1294 CB MET C 85 49.927 -2.890 7.910 1.00 0.00 C ATOM 1295 CG MET C 85 49.320 -3.142 6.528 1.00 0.00 C ATOM 1296 SD MET C 85 48.780 -4.866 6.413 1.00 0.00 S ATOM 1297 CE MET C 85 49.849 -5.348 5.036 1.00 0.00 C ATOM 0 H MET C 85 52.080 -1.861 8.328 1.00 0.00 H new ATOM 0 HA MET C 85 49.454 -0.815 7.419 1.00 0.00 H new ATOM 0 HB2 MET C 85 50.922 -3.331 7.968 1.00 0.00 H new ATOM 0 HB3 MET C 85 49.320 -3.370 8.678 1.00 0.00 H new ATOM 0 HG2 MET C 85 48.475 -2.473 6.362 1.00 0.00 H new ATOM 0 HG3 MET C 85 50.054 -2.927 5.752 1.00 0.00 H new ATOM 0 HE1 MET C 85 49.491 -6.284 4.608 1.00 0.00 H new ATOM 0 HE2 MET C 85 49.832 -4.570 4.273 1.00 0.00 H new ATOM 0 HE3 MET C 85 50.869 -5.481 5.396 1.00 0.00 H new ATOM 1411 N SER I 3 52.977 6.227 3.734 1.00 0.00 N ATOM 1412 CA SER I 3 51.625 5.876 3.213 1.00 0.00 C ATOM 1413 C SER I 3 51.717 5.465 1.741 1.00 0.00 C ATOM 1414 O SER I 3 52.358 6.118 0.944 1.00 0.00 O ATOM 1415 CB SER I 3 50.801 7.155 3.360 1.00 0.00 C ATOM 1416 OG SER I 3 50.330 7.257 4.697 1.00 0.00 O ATOM 0 HA SER I 3 51.179 5.039 3.750 1.00 0.00 H new ATOM 0 HB2 SER I 3 51.409 8.024 3.109 1.00 0.00 H new ATOM 0 HB3 SER I 3 49.961 7.142 2.666 1.00 0.00 H new ATOM 0 HG SER I 3 49.802 8.077 4.796 1.00 0.00 H new ATOM 1422 N ALA I 4 51.081 4.387 1.376 1.00 0.00 N ATOM 1423 CA ALA I 4 51.134 3.937 -0.045 1.00 0.00 C ATOM 1424 C ALA I 4 50.197 4.789 -0.905 1.00 0.00 C ATOM 1425 O ALA I 4 50.309 4.825 -2.114 1.00 0.00 O ATOM 1426 CB ALA I 4 50.662 2.484 -0.017 1.00 0.00 C ATOM 0 H ALA I 4 50.527 3.798 1.998 1.00 0.00 H new ATOM 0 HA ALA I 4 52.132 4.034 -0.472 1.00 0.00 H new ATOM 0 HB1 ALA I 4 50.672 2.079 -1.029 1.00 0.00 H new ATOM 0 HB2 ALA I 4 51.328 1.897 0.616 1.00 0.00 H new ATOM 0 HB3 ALA I 4 49.649 2.438 0.382 1.00 0.00 H new ATOM 1432 N ASP I 5 49.272 5.475 -0.291 1.00 0.00 N ATOM 1433 CA ASP I 5 48.329 6.324 -1.073 1.00 0.00 C ATOM 1434 C ASP I 5 49.076 7.502 -1.706 1.00 0.00 C ATOM 1435 O ASP I 5 48.827 7.871 -2.838 1.00 0.00 O ATOM 1436 CB ASP I 5 47.308 6.824 -0.050 1.00 0.00 C ATOM 1437 CG ASP I 5 46.215 5.771 0.139 1.00 0.00 C ATOM 1438 OD1 ASP I 5 45.579 5.420 -0.842 1.00 0.00 O ATOM 1439 OD2 ASP I 5 46.031 5.331 1.263 1.00 0.00 O ATOM 0 H ASP I 5 49.128 5.484 0.719 1.00 0.00 H new ATOM 0 HA ASP I 5 47.857 5.775 -1.887 1.00 0.00 H new ATOM 0 HB2 ASP I 5 47.800 7.027 0.901 1.00 0.00 H new ATOM 0 HB3 ASP I 5 46.869 7.762 -0.388 1.00 0.00 H new ATOM 1444 N ALA I 6 49.985 8.097 -0.985 1.00 0.00 N ATOM 1445 CA ALA I 6 50.746 9.255 -1.541 1.00 0.00 C ATOM 1446 C ALA I 6 51.952 8.769 -2.351 1.00 0.00 C ATOM 1447 O ALA I 6 52.222 9.252 -3.433 1.00 0.00 O ATOM 1448 CB ALA I 6 51.208 10.045 -0.317 1.00 0.00 C ATOM 0 H ALA I 6 50.236 7.832 -0.032 1.00 0.00 H new ATOM 0 HA ALA I 6 50.139 9.858 -2.216 1.00 0.00 H new ATOM 0 HB1 ALA I 6 51.777 10.917 -0.640 1.00 0.00 H new ATOM 0 HB2 ALA I 6 50.339 10.371 0.255 1.00 0.00 H new ATOM 0 HB3 ALA I 6 51.837 9.412 0.308 1.00 0.00 H new ATOM 1454 N MET I 7 52.686 7.825 -1.831 1.00 0.00 N ATOM 1455 CA MET I 7 53.880 7.315 -2.564 1.00 0.00 C ATOM 1456 C MET I 7 53.481 6.780 -3.944 1.00 0.00 C ATOM 1457 O MET I 7 54.284 6.730 -4.853 1.00 0.00 O ATOM 1458 CB MET I 7 54.429 6.186 -1.691 1.00 0.00 C ATOM 1459 CG MET I 7 55.931 6.036 -1.933 1.00 0.00 C ATOM 1460 SD MET I 7 56.339 4.282 -2.123 1.00 0.00 S ATOM 1461 CE MET I 7 57.134 4.404 -3.745 1.00 0.00 C ATOM 0 H MET I 7 52.511 7.383 -0.928 1.00 0.00 H new ATOM 0 HA MET I 7 54.618 8.099 -2.735 1.00 0.00 H new ATOM 0 HB2 MET I 7 54.239 6.401 -0.639 1.00 0.00 H new ATOM 0 HB3 MET I 7 53.918 5.252 -1.923 1.00 0.00 H new ATOM 0 HG2 MET I 7 56.223 6.587 -2.827 1.00 0.00 H new ATOM 0 HG3 MET I 7 56.489 6.462 -1.099 1.00 0.00 H new ATOM 0 HE1 MET I 7 56.652 3.716 -4.439 1.00 0.00 H new ATOM 0 HE2 MET I 7 57.040 5.423 -4.120 1.00 0.00 H new ATOM 0 HE3 MET I 7 58.189 4.147 -3.653 1.00 0.00 H new ATOM 1471 N MET I 8 52.253 6.369 -4.104 1.00 0.00 N ATOM 1472 CA MET I 8 51.819 5.827 -5.426 1.00 0.00 C ATOM 1473 C MET I 8 51.379 6.956 -6.365 1.00 0.00 C ATOM 1474 O MET I 8 51.876 7.087 -7.465 1.00 0.00 O ATOM 1475 CB MET I 8 50.641 4.907 -5.105 1.00 0.00 C ATOM 1476 CG MET I 8 51.147 3.473 -4.934 1.00 0.00 C ATOM 1477 SD MET I 8 52.255 3.389 -3.505 1.00 0.00 S ATOM 1478 CE MET I 8 53.811 3.536 -4.418 1.00 0.00 C ATOM 0 H MET I 8 51.533 6.384 -3.381 1.00 0.00 H new ATOM 0 HA MET I 8 52.628 5.302 -5.935 1.00 0.00 H new ATOM 0 HB2 MET I 8 50.143 5.240 -4.194 1.00 0.00 H new ATOM 0 HB3 MET I 8 49.903 4.951 -5.906 1.00 0.00 H new ATOM 0 HG2 MET I 8 50.306 2.794 -4.796 1.00 0.00 H new ATOM 0 HG3 MET I 8 51.672 3.152 -5.834 1.00 0.00 H new ATOM 0 HE1 MET I 8 54.429 2.659 -4.227 1.00 0.00 H new ATOM 0 HE2 MET I 8 53.601 3.606 -5.485 1.00 0.00 H new ATOM 0 HE3 MET I 8 54.341 4.431 -4.093 1.00 0.00 H new ATOM 1488 N GLN I 9 50.445 7.766 -5.948 1.00 0.00 N ATOM 1489 CA GLN I 9 49.973 8.874 -6.831 1.00 0.00 C ATOM 1490 C GLN I 9 51.036 9.972 -6.934 1.00 0.00 C ATOM 1491 O GLN I 9 51.125 10.669 -7.925 1.00 0.00 O ATOM 1492 CB GLN I 9 48.713 9.414 -6.154 1.00 0.00 C ATOM 1493 CG GLN I 9 47.512 9.217 -7.081 1.00 0.00 C ATOM 1494 CD GLN I 9 46.717 7.991 -6.630 1.00 0.00 C ATOM 1495 OE1 GLN I 9 45.511 8.052 -6.494 1.00 0.00 O ATOM 1496 NE2 GLN I 9 47.344 6.873 -6.392 1.00 0.00 N ATOM 0 H GLN I 9 49.989 7.710 -5.038 1.00 0.00 H new ATOM 0 HA GLN I 9 49.778 8.529 -7.846 1.00 0.00 H new ATOM 0 HB2 GLN I 9 48.545 8.897 -5.209 1.00 0.00 H new ATOM 0 HB3 GLN I 9 48.837 10.472 -5.922 1.00 0.00 H new ATOM 0 HG2 GLN I 9 46.877 10.102 -7.064 1.00 0.00 H new ATOM 0 HG3 GLN I 9 47.850 9.087 -8.109 1.00 0.00 H new ATOM 0 HE21 GLN I 9 48.356 6.822 -6.506 1.00 0.00 H new ATOM 0 HE22 GLN I 9 46.822 6.050 -6.092 1.00 0.00 H new ATOM 1505 N ALA I 10 51.838 10.136 -5.920 1.00 0.00 N ATOM 1506 CA ALA I 10 52.887 11.195 -5.966 1.00 0.00 C ATOM 1507 C ALA I 10 54.140 10.680 -6.677 1.00 0.00 C ATOM 1508 O ALA I 10 55.052 11.428 -6.967 1.00 0.00 O ATOM 1509 CB ALA I 10 53.197 11.506 -4.503 1.00 0.00 C ATOM 0 H ALA I 10 51.814 9.584 -5.062 1.00 0.00 H new ATOM 0 HA ALA I 10 52.554 12.077 -6.514 1.00 0.00 H new ATOM 0 HB1 ALA I 10 53.963 12.279 -4.450 1.00 0.00 H new ATOM 0 HB2 ALA I 10 52.292 11.857 -4.006 1.00 0.00 H new ATOM 0 HB3 ALA I 10 53.557 10.604 -4.008 1.00 0.00 H new ATOM 1515 N LEU I 11 54.197 9.407 -6.957 1.00 0.00 N ATOM 1516 CA LEU I 11 55.397 8.850 -7.646 1.00 0.00 C ATOM 1517 C LEU I 11 54.972 7.961 -8.819 1.00 0.00 C ATOM 1518 O LEU I 11 55.217 8.275 -9.966 1.00 0.00 O ATOM 1519 CB LEU I 11 56.115 8.026 -6.576 1.00 0.00 C ATOM 1520 CG LEU I 11 57.557 7.760 -7.010 1.00 0.00 C ATOM 1521 CD1 LEU I 11 58.470 8.862 -6.469 1.00 0.00 C ATOM 1522 CD2 LEU I 11 58.012 6.410 -6.453 1.00 0.00 C ATOM 0 H LEU I 11 53.467 8.729 -6.739 1.00 0.00 H new ATOM 0 HA LEU I 11 56.037 9.629 -8.060 1.00 0.00 H new ATOM 0 HB2 LEU I 11 56.104 8.559 -5.625 1.00 0.00 H new ATOM 0 HB3 LEU I 11 55.593 7.082 -6.419 1.00 0.00 H new ATOM 0 HG LEU I 11 57.610 7.747 -8.099 1.00 0.00 H new ATOM 0 HD11 LEU I 11 59.497 8.669 -6.780 1.00 0.00 H new ATOM 0 HD12 LEU I 11 58.147 9.827 -6.860 1.00 0.00 H new ATOM 0 HD13 LEU I 11 58.417 8.876 -5.380 1.00 0.00 H new ATOM 0 HD21 LEU I 11 59.040 6.217 -6.761 1.00 0.00 H new ATOM 0 HD22 LEU I 11 57.956 6.428 -5.365 1.00 0.00 H new ATOM 0 HD23 LEU I 11 57.365 5.621 -6.836 1.00 0.00 H new ATOM 1534 N LEU I 12 54.339 6.853 -8.541 1.00 0.00 N ATOM 1535 CA LEU I 12 53.903 5.947 -9.644 1.00 0.00 C ATOM 1536 C LEU I 12 52.405 5.653 -9.528 1.00 0.00 C ATOM 1537 O LEU I 12 51.985 4.806 -8.764 1.00 0.00 O ATOM 1538 CB LEU I 12 54.717 4.669 -9.450 1.00 0.00 C ATOM 1539 CG LEU I 12 54.649 4.235 -7.984 1.00 0.00 C ATOM 1540 CD1 LEU I 12 54.770 2.712 -7.894 1.00 0.00 C ATOM 1541 CD2 LEU I 12 55.798 4.883 -7.209 1.00 0.00 C ATOM 0 H LEU I 12 54.105 6.536 -7.600 1.00 0.00 H new ATOM 0 HA LEU I 12 54.063 6.388 -10.628 1.00 0.00 H new ATOM 0 HB2 LEU I 12 54.330 3.878 -10.092 1.00 0.00 H new ATOM 0 HB3 LEU I 12 55.753 4.838 -9.742 1.00 0.00 H new ATOM 0 HG LEU I 12 53.697 4.549 -7.556 1.00 0.00 H new ATOM 0 HD11 LEU I 12 54.721 2.404 -6.849 1.00 0.00 H new ATOM 0 HD12 LEU I 12 53.953 2.249 -8.447 1.00 0.00 H new ATOM 0 HD13 LEU I 12 55.722 2.397 -8.321 1.00 0.00 H new ATOM 0 HD21 LEU I 12 55.751 4.575 -6.164 1.00 0.00 H new ATOM 0 HD22 LEU I 12 56.749 4.568 -7.638 1.00 0.00 H new ATOM 0 HD23 LEU I 12 55.713 5.968 -7.272 1.00 0.00 H new