USER MOD reduce.3.24.130724 H: found=0, std=0, add=437, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 438 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 29 ASN : amide:sc= 0.594 K(o=2.5,f=-2.4!) USER MOD Set 1.2: A 50 HIS : +bothHN:sc= 1.95 K(o=2.5,f=-14!) USER MOD Set 2.1: A 42 SER OG : rot 180:sc= -2.47! USER MOD Set 2.2: A 45 GLN : amide:sc= -0.0671 K(o=-2.5,f=-3.4) USER MOD Single : A 6 THR OG1 : rot 180:sc= -0.288 USER MOD Single : A 7 LYS NZ :NH3+ -169:sc= 0.964 (180deg=0.887) USER MOD Single : A 9 MET CE :methyl -163:sc= -0.0995 (180deg=-0.491) USER MOD Single : A 10 THR OG1 : rot 180:sc= -1.36! USER MOD Single : A 13 GLN :FLIP amide:sc= 0 F(o=-0.78,f=0) USER MOD Single : A 16 GLN : amide:sc= -0.17 X(o=-0.17,f=-0.15) USER MOD Single : A 17 THR OG1 : rot 68:sc= 1.21 USER MOD Single : A 18 HIS : no HD1:sc= -1.9 K(o=-1.9,f=-6.5!) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot -167:sc= 1.06 USER MOD Single : A 32 CYS SG : rot 180:sc= 0 USER MOD Single : A 35 CYS SG : rot -19:sc= 0.00955 USER MOD Single : A 36 MET CE :methyl -140:sc= -0.0563 (180deg=-1.03) USER MOD Single : A 39 GLN :FLIP amide:sc= -0.573 F(o=-1.6,f=-0.57) USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 ASN : amide:sc= 0.888 K(o=0.89,f=-0.13) USER MOD Single : A 53 ASN : amide:sc= -0.0154 K(o=-0.015,f=-0.85) USER MOD Single : A 62 ASN : amide:sc= 0.0518! K(o=0.052!,f=-0.77) USER MOD ----------------------------------------------------------------- ATOM 73 N PHE A 5 -6.613 6.354 -2.842 1.00 3.20 N ATOM 74 CA PHE A 5 -5.903 5.191 -2.307 1.00 11.23 C ATOM 75 C PHE A 5 -6.837 4.390 -1.390 1.00 53.31 C ATOM 76 O PHE A 5 -7.052 4.754 -0.230 1.00 11.40 O ATOM 77 CB PHE A 5 -4.651 5.627 -1.536 1.00 1.22 C ATOM 78 CG PHE A 5 -3.648 6.379 -2.376 1.00 42.24 C ATOM 79 CD1 PHE A 5 -3.717 7.760 -2.489 1.00 63.03 C ATOM 80 CD2 PHE A 5 -2.634 5.707 -3.045 1.00 63.14 C ATOM 81 CE1 PHE A 5 -2.799 8.453 -3.253 1.00 54.02 C ATOM 82 CE2 PHE A 5 -1.716 6.396 -3.809 1.00 50.53 C ATOM 83 CZ PHE A 5 -1.796 7.770 -3.912 1.00 31.33 C ATOM 0 HA PHE A 5 -5.589 4.561 -3.139 1.00 11.23 H new ATOM 0 HB2 PHE A 5 -4.953 6.255 -0.698 1.00 1.22 H new ATOM 0 HB3 PHE A 5 -4.169 4.744 -1.115 1.00 1.22 H new ATOM 0 HD1 PHE A 5 -4.498 8.299 -1.973 1.00 63.03 H new ATOM 0 HD2 PHE A 5 -2.563 4.632 -2.966 1.00 63.14 H new ATOM 0 HE1 PHE A 5 -2.865 9.528 -3.335 1.00 54.02 H new ATOM 0 HE2 PHE A 5 -0.934 5.860 -4.327 1.00 50.53 H new ATOM 0 HZ PHE A 5 -1.075 8.310 -4.507 1.00 31.33 H new ATOM 93 N THR A 6 -7.409 3.315 -1.924 1.00 43.13 N ATOM 94 CA THR A 6 -8.396 2.514 -1.185 1.00 53.25 C ATOM 95 C THR A 6 -7.924 1.069 -0.981 1.00 10.25 C ATOM 96 O THR A 6 -6.929 0.637 -1.559 1.00 54.32 O ATOM 97 CB THR A 6 -9.768 2.499 -1.906 1.00 50.42 C ATOM 98 OG1 THR A 6 -10.722 1.741 -1.145 1.00 51.02 O ATOM 99 CG2 THR A 6 -9.645 1.911 -3.312 1.00 45.00 C ATOM 0 H THR A 6 -7.210 2.974 -2.864 1.00 43.13 H new ATOM 0 HA THR A 6 -8.506 2.989 -0.210 1.00 53.25 H new ATOM 0 HB THR A 6 -10.112 3.530 -1.992 1.00 50.42 H new ATOM 0 HG1 THR A 6 -11.585 1.740 -1.610 1.00 51.02 H new ATOM 0 HG21 THR A 6 -10.623 1.913 -3.794 1.00 45.00 H new ATOM 0 HG22 THR A 6 -8.950 2.512 -3.898 1.00 45.00 H new ATOM 0 HG23 THR A 6 -9.274 0.888 -3.247 1.00 45.00 H new ATOM 107 N LYS A 7 -8.665 0.319 -0.170 1.00 32.23 N ATOM 108 CA LYS A 7 -8.309 -1.069 0.162 1.00 61.34 C ATOM 109 C LYS A 7 -8.479 -2.016 -1.041 1.00 21.05 C ATOM 110 O LYS A 7 -7.956 -3.133 -1.043 1.00 21.44 O ATOM 111 CB LYS A 7 -9.175 -1.566 1.328 1.00 75.33 C ATOM 112 CG LYS A 7 -10.675 -1.456 1.063 1.00 14.12 C ATOM 113 CD LYS A 7 -11.494 -2.267 2.065 1.00 23.02 C ATOM 114 CE LYS A 7 -11.278 -1.814 3.508 1.00 0.23 C ATOM 115 NZ LYS A 7 -11.976 -2.709 4.470 1.00 12.22 N ATOM 0 H LYS A 7 -9.522 0.647 0.275 1.00 32.23 H new ATOM 0 HA LYS A 7 -7.257 -1.075 0.446 1.00 61.34 H new ATOM 0 HB2 LYS A 7 -8.926 -2.606 1.537 1.00 75.33 H new ATOM 0 HB3 LYS A 7 -8.929 -0.994 2.222 1.00 75.33 H new ATOM 0 HG2 LYS A 7 -10.976 -0.409 1.112 1.00 14.12 H new ATOM 0 HG3 LYS A 7 -10.891 -1.803 0.053 1.00 14.12 H new ATOM 0 HD2 LYS A 7 -12.552 -2.182 1.816 1.00 23.02 H new ATOM 0 HD3 LYS A 7 -11.229 -3.321 1.976 1.00 23.02 H new ATOM 0 HE2 LYS A 7 -10.211 -1.800 3.730 1.00 0.23 H new ATOM 0 HE3 LYS A 7 -11.642 -0.794 3.629 1.00 0.23 H new ATOM 0 HZ1 LYS A 7 -11.968 -2.276 5.416 1.00 12.22 H new ATOM 0 HZ2 LYS A 7 -12.959 -2.850 4.162 1.00 12.22 H new ATOM 0 HZ3 LYS A 7 -11.489 -3.627 4.506 1.00 12.22 H new ATOM 129 N ASP A 8 -9.224 -1.567 -2.046 1.00 1.12 N ATOM 130 CA ASP A 8 -9.533 -2.386 -3.221 1.00 43.24 C ATOM 131 C ASP A 8 -8.395 -2.370 -4.263 1.00 2.30 C ATOM 132 O ASP A 8 -8.134 -3.375 -4.928 1.00 74.22 O ATOM 133 CB ASP A 8 -10.833 -1.884 -3.856 1.00 63.44 C ATOM 134 CG ASP A 8 -11.277 -2.736 -5.030 1.00 31.12 C ATOM 135 OD1 ASP A 8 -12.006 -3.723 -4.811 1.00 44.21 O ATOM 136 OD2 ASP A 8 -10.894 -2.422 -6.178 1.00 60.32 O ATOM 0 H ASP A 8 -9.630 -0.632 -2.073 1.00 1.12 H new ATOM 0 HA ASP A 8 -9.647 -3.418 -2.890 1.00 43.24 H new ATOM 0 HB2 ASP A 8 -11.620 -1.873 -3.102 1.00 63.44 H new ATOM 0 HB3 ASP A 8 -10.696 -0.855 -4.190 1.00 63.44 H new ATOM 141 N MET A 9 -7.720 -1.227 -4.400 1.00 41.21 N ATOM 142 CA MET A 9 -6.676 -1.065 -5.422 1.00 63.42 C ATOM 143 C MET A 9 -5.424 -1.896 -5.092 1.00 24.21 C ATOM 144 O MET A 9 -5.158 -2.212 -3.929 1.00 14.31 O ATOM 145 CB MET A 9 -6.304 0.418 -5.576 1.00 74.05 C ATOM 146 CG MET A 9 -5.625 1.015 -4.353 1.00 73.43 C ATOM 147 SD MET A 9 -5.433 2.803 -4.459 1.00 73.32 S ATOM 148 CE MET A 9 -4.526 2.970 -5.994 1.00 61.40 C ATOM 0 H MET A 9 -7.874 -0.402 -3.821 1.00 41.21 H new ATOM 0 HA MET A 9 -7.079 -1.432 -6.366 1.00 63.42 H new ATOM 0 HB2 MET A 9 -5.644 0.529 -6.436 1.00 74.05 H new ATOM 0 HB3 MET A 9 -7.207 0.988 -5.792 1.00 74.05 H new ATOM 0 HG2 MET A 9 -6.207 0.769 -3.465 1.00 73.43 H new ATOM 0 HG3 MET A 9 -4.644 0.556 -4.228 1.00 73.43 H new ATOM 0 HE1 MET A 9 -4.076 3.961 -6.045 1.00 61.40 H new ATOM 0 HE2 MET A 9 -3.743 2.213 -6.038 1.00 61.40 H new ATOM 0 HE3 MET A 9 -5.207 2.837 -6.835 1.00 61.40 H new ATOM 158 N THR A 10 -4.662 -2.243 -6.126 1.00 52.55 N ATOM 159 CA THR A 10 -3.459 -3.077 -5.969 1.00 21.51 C ATOM 160 C THR A 10 -2.235 -2.247 -5.571 1.00 50.32 C ATOM 161 O THR A 10 -2.205 -1.026 -5.760 1.00 12.03 O ATOM 162 CB THR A 10 -3.119 -3.836 -7.276 1.00 20.13 C ATOM 163 OG1 THR A 10 -2.672 -2.914 -8.280 1.00 34.45 O ATOM 164 CG2 THR A 10 -4.331 -4.606 -7.793 1.00 5.44 C ATOM 0 H THR A 10 -4.852 -1.962 -7.088 1.00 52.55 H new ATOM 0 HA THR A 10 -3.691 -3.788 -5.176 1.00 21.51 H new ATOM 0 HB THR A 10 -2.324 -4.548 -7.055 1.00 20.13 H new ATOM 0 HG1 THR A 10 -2.458 -3.403 -9.102 1.00 34.45 H new ATOM 0 HG21 THR A 10 -4.065 -5.130 -8.711 1.00 5.44 H new ATOM 0 HG22 THR A 10 -4.650 -5.329 -7.042 1.00 5.44 H new ATOM 0 HG23 THR A 10 -5.145 -3.910 -7.995 1.00 5.44 H new ATOM 172 N PHE A 11 -1.219 -2.917 -5.023 1.00 4.52 N ATOM 173 CA PHE A 11 0.054 -2.262 -4.701 1.00 32.45 C ATOM 174 C PHE A 11 0.671 -1.609 -5.950 1.00 33.11 C ATOM 175 O PHE A 11 1.226 -0.510 -5.874 1.00 71.02 O ATOM 176 CB PHE A 11 1.042 -3.266 -4.086 1.00 30.42 C ATOM 177 CG PHE A 11 0.673 -3.714 -2.691 1.00 20.33 C ATOM 178 CD1 PHE A 11 1.069 -2.974 -1.585 1.00 13.14 C ATOM 179 CD2 PHE A 11 -0.058 -4.873 -2.484 1.00 54.03 C ATOM 180 CE1 PHE A 11 0.743 -3.382 -0.307 1.00 12.33 C ATOM 181 CE2 PHE A 11 -0.389 -5.285 -1.207 1.00 22.33 C ATOM 182 CZ PHE A 11 0.013 -4.537 -0.117 1.00 31.02 C ATOM 0 H PHE A 11 -1.251 -3.910 -4.793 1.00 4.52 H new ATOM 0 HA PHE A 11 -0.150 -1.480 -3.970 1.00 32.45 H new ATOM 0 HB2 PHE A 11 1.105 -4.141 -4.733 1.00 30.42 H new ATOM 0 HB3 PHE A 11 2.034 -2.815 -4.062 1.00 30.42 H new ATOM 0 HD1 PHE A 11 1.639 -2.068 -1.726 1.00 13.14 H new ATOM 0 HD2 PHE A 11 -0.373 -5.462 -3.332 1.00 54.03 H new ATOM 0 HE1 PHE A 11 1.059 -2.797 0.544 1.00 12.33 H new ATOM 0 HE2 PHE A 11 -0.961 -6.190 -1.061 1.00 22.33 H new ATOM 0 HZ PHE A 11 -0.244 -4.856 0.882 1.00 31.02 H new ATOM 192 N ALA A 12 0.555 -2.282 -7.099 1.00 2.22 N ATOM 193 CA ALA A 12 1.055 -1.739 -8.369 1.00 30.14 C ATOM 194 C ALA A 12 0.389 -0.395 -8.704 1.00 34.34 C ATOM 195 O ALA A 12 1.073 0.596 -8.974 1.00 3.33 O ATOM 196 CB ALA A 12 0.833 -2.740 -9.498 1.00 32.44 C ATOM 0 H ALA A 12 0.121 -3.202 -7.177 1.00 2.22 H new ATOM 0 HA ALA A 12 2.125 -1.563 -8.260 1.00 30.14 H new ATOM 0 HB1 ALA A 12 1.209 -2.323 -10.433 1.00 32.44 H new ATOM 0 HB2 ALA A 12 1.364 -3.665 -9.274 1.00 32.44 H new ATOM 0 HB3 ALA A 12 -0.233 -2.948 -9.596 1.00 32.44 H new ATOM 202 N GLN A 13 -0.947 -0.360 -8.658 1.00 1.13 N ATOM 203 CA GLN A 13 -1.696 0.879 -8.918 1.00 3.14 C ATOM 204 C GLN A 13 -1.242 2.007 -7.978 1.00 63.12 C ATOM 205 O GLN A 13 -0.977 3.127 -8.416 1.00 34.33 O ATOM 206 CB GLN A 13 -3.204 0.645 -8.743 1.00 11.11 C ATOM 207 CG GLN A 13 -3.788 -0.398 -9.687 1.00 35.21 C ATOM 208 CD GLN A 13 -5.263 -0.676 -9.427 1.00 34.20 C ATOM 209 OE1 GLN A 13 -6.011 0.333 -9.015 1.00 33.43 O flip ATOM 210 NE2 GLN A 13 -5.737 -1.789 -9.617 1.00 20.25 N flip ATOM 0 H GLN A 13 -1.531 -1.169 -8.445 1.00 1.13 H new ATOM 0 HA GLN A 13 -1.494 1.176 -9.947 1.00 3.14 H new ATOM 0 HB2 GLN A 13 -3.395 0.336 -7.715 1.00 11.11 H new ATOM 0 HB3 GLN A 13 -3.727 1.589 -8.895 1.00 11.11 H new ATOM 0 HG2 GLN A 13 -3.663 -0.059 -10.716 1.00 35.21 H new ATOM 0 HG3 GLN A 13 -3.226 -1.326 -9.587 1.00 35.21 H new ATOM 0 HE21 GLN A 13 -5.138 -2.551 -9.935 1.00 20.25 H new ATOM 0 HE22 GLN A 13 -6.731 -1.954 -9.457 1.00 20.25 H new ATOM 219 N ALA A 14 -1.149 1.695 -6.687 1.00 34.51 N ATOM 220 CA ALA A 14 -0.716 2.670 -5.679 1.00 63.50 C ATOM 221 C ALA A 14 0.667 3.255 -6.012 1.00 25.11 C ATOM 222 O ALA A 14 0.848 4.477 -6.029 1.00 53.12 O ATOM 223 CB ALA A 14 -0.702 2.022 -4.299 1.00 61.21 C ATOM 0 H ALA A 14 -1.368 0.773 -6.310 1.00 34.51 H new ATOM 0 HA ALA A 14 -1.429 3.494 -5.681 1.00 63.50 H new ATOM 0 HB1 ALA A 14 -0.379 2.753 -3.557 1.00 61.21 H new ATOM 0 HB2 ALA A 14 -1.704 1.672 -4.051 1.00 61.21 H new ATOM 0 HB3 ALA A 14 -0.012 1.178 -4.300 1.00 61.21 H new ATOM 229 N LEU A 15 1.631 2.376 -6.294 1.00 11.31 N ATOM 230 CA LEU A 15 2.992 2.801 -6.655 1.00 13.11 C ATOM 231 C LEU A 15 2.995 3.687 -7.913 1.00 33.24 C ATOM 232 O LEU A 15 3.704 4.692 -7.977 1.00 71.04 O ATOM 233 CB LEU A 15 3.897 1.578 -6.881 1.00 75.33 C ATOM 234 CG LEU A 15 4.126 0.686 -5.646 1.00 63.42 C ATOM 235 CD1 LEU A 15 5.036 -0.493 -5.987 1.00 60.24 C ATOM 236 CD2 LEU A 15 4.707 1.499 -4.491 1.00 11.42 C ATOM 0 H LEU A 15 1.498 1.365 -6.280 1.00 11.31 H new ATOM 0 HA LEU A 15 3.380 3.389 -5.823 1.00 13.11 H new ATOM 0 HB2 LEU A 15 3.463 0.968 -7.673 1.00 75.33 H new ATOM 0 HB3 LEU A 15 4.865 1.926 -7.241 1.00 75.33 H new ATOM 0 HG LEU A 15 3.160 0.290 -5.332 1.00 63.42 H new ATOM 0 HD11 LEU A 15 5.183 -1.108 -5.099 1.00 60.24 H new ATOM 0 HD12 LEU A 15 4.576 -1.093 -6.772 1.00 60.24 H new ATOM 0 HD13 LEU A 15 6.000 -0.120 -6.334 1.00 60.24 H new ATOM 0 HD21 LEU A 15 4.861 0.849 -3.630 1.00 11.42 H new ATOM 0 HD22 LEU A 15 5.661 1.931 -4.794 1.00 11.42 H new ATOM 0 HD23 LEU A 15 4.015 2.298 -4.224 1.00 11.42 H new ATOM 248 N GLN A 16 2.204 3.307 -8.913 1.00 24.41 N ATOM 249 CA GLN A 16 2.103 4.089 -10.151 1.00 14.34 C ATOM 250 C GLN A 16 1.396 5.437 -9.918 1.00 24.32 C ATOM 251 O GLN A 16 1.662 6.418 -10.619 1.00 55.14 O ATOM 252 CB GLN A 16 1.362 3.293 -11.233 1.00 21.44 C ATOM 253 CG GLN A 16 2.058 1.997 -11.646 1.00 53.41 C ATOM 254 CD GLN A 16 3.490 2.210 -12.117 1.00 52.24 C ATOM 255 OE1 GLN A 16 3.744 2.460 -13.291 1.00 63.31 O ATOM 256 NE2 GLN A 16 4.438 2.100 -11.207 1.00 34.50 N ATOM 0 H GLN A 16 1.625 2.468 -8.895 1.00 24.41 H new ATOM 0 HA GLN A 16 3.119 4.294 -10.488 1.00 14.34 H new ATOM 0 HB2 GLN A 16 0.361 3.055 -10.872 1.00 21.44 H new ATOM 0 HB3 GLN A 16 1.242 3.924 -12.114 1.00 21.44 H new ATOM 0 HG2 GLN A 16 2.059 1.307 -10.802 1.00 53.41 H new ATOM 0 HG3 GLN A 16 1.486 1.523 -12.444 1.00 53.41 H new ATOM 0 HE21 GLN A 16 4.194 1.891 -10.239 1.00 34.50 H new ATOM 0 HE22 GLN A 16 5.415 2.224 -11.471 1.00 34.50 H new ATOM 265 N THR A 17 0.502 5.481 -8.933 1.00 75.13 N ATOM 266 CA THR A 17 -0.234 6.710 -8.604 1.00 40.43 C ATOM 267 C THR A 17 0.659 7.725 -7.869 1.00 74.40 C ATOM 268 O THR A 17 0.587 8.930 -8.120 1.00 73.22 O ATOM 269 CB THR A 17 -1.488 6.410 -7.741 1.00 53.14 C ATOM 270 OG1 THR A 17 -2.367 5.513 -8.440 1.00 30.52 O ATOM 271 CG2 THR A 17 -2.250 7.688 -7.398 1.00 24.32 C ATOM 0 H THR A 17 0.266 4.681 -8.345 1.00 75.13 H new ATOM 0 HA THR A 17 -0.553 7.143 -9.552 1.00 40.43 H new ATOM 0 HB THR A 17 -1.145 5.950 -6.814 1.00 53.14 H new ATOM 0 HG1 THR A 17 -1.943 4.633 -8.516 1.00 30.52 H new ATOM 0 HG21 THR A 17 -3.122 7.440 -6.793 1.00 24.32 H new ATOM 0 HG22 THR A 17 -1.600 8.360 -6.839 1.00 24.32 H new ATOM 0 HG23 THR A 17 -2.573 8.177 -8.317 1.00 24.32 H new ATOM 279 N HIS A 18 1.494 7.236 -6.952 1.00 42.12 N ATOM 280 CA HIS A 18 2.438 8.090 -6.209 1.00 33.15 C ATOM 281 C HIS A 18 3.696 7.314 -5.782 1.00 1.12 C ATOM 282 O HIS A 18 3.611 6.370 -4.996 1.00 43.54 O ATOM 283 CB HIS A 18 1.763 8.707 -4.968 1.00 2.45 C ATOM 284 CG HIS A 18 1.021 9.982 -5.240 1.00 4.03 C ATOM 285 ND1 HIS A 18 -0.288 10.021 -5.665 1.00 72.01 N ATOM 286 CD2 HIS A 18 1.412 11.275 -5.132 1.00 52.43 C ATOM 287 CE1 HIS A 18 -0.668 11.274 -5.808 1.00 3.41 C ATOM 288 NE2 HIS A 18 0.343 12.056 -5.491 1.00 32.31 N ATOM 0 H HIS A 18 1.540 6.249 -6.701 1.00 42.12 H new ATOM 0 HA HIS A 18 2.743 8.889 -6.885 1.00 33.15 H new ATOM 0 HB2 HIS A 18 1.070 7.979 -4.546 1.00 2.45 H new ATOM 0 HB3 HIS A 18 2.524 8.897 -4.211 1.00 2.45 H new ATOM 0 HD2 HIS A 18 2.385 11.626 -4.821 1.00 52.43 H new ATOM 0 HE1 HIS A 18 -1.644 11.604 -6.131 1.00 3.41 H new ATOM 0 HE2 HIS A 18 0.333 13.076 -5.509 1.00 32.31 H new ATOM 297 N PRO A 19 4.886 7.713 -6.285 1.00 72.04 N ATOM 298 CA PRO A 19 6.170 7.098 -5.883 1.00 31.43 C ATOM 299 C PRO A 19 6.388 7.104 -4.358 1.00 63.30 C ATOM 300 O PRO A 19 7.105 6.256 -3.819 1.00 71.05 O ATOM 301 CB PRO A 19 7.218 7.975 -6.585 1.00 33.02 C ATOM 302 CG PRO A 19 6.502 8.555 -7.756 1.00 51.02 C ATOM 303 CD PRO A 19 5.081 8.769 -7.301 1.00 13.12 C ATOM 0 HA PRO A 19 6.217 6.045 -6.161 1.00 31.43 H new ATOM 0 HB2 PRO A 19 7.590 8.756 -5.921 1.00 33.02 H new ATOM 0 HB3 PRO A 19 8.080 7.387 -6.899 1.00 33.02 H new ATOM 0 HG2 PRO A 19 6.959 9.494 -8.068 1.00 51.02 H new ATOM 0 HG3 PRO A 19 6.542 7.881 -8.612 1.00 51.02 H new ATOM 0 HD2 PRO A 19 4.939 9.764 -6.879 1.00 13.12 H new ATOM 0 HD3 PRO A 19 4.375 8.669 -8.126 1.00 13.12 H new ATOM 311 N GLY A 20 5.768 8.066 -3.671 1.00 53.24 N ATOM 312 CA GLY A 20 5.850 8.135 -2.214 1.00 62.14 C ATOM 313 C GLY A 20 5.256 6.914 -1.517 1.00 65.41 C ATOM 314 O GLY A 20 5.656 6.572 -0.400 1.00 54.20 O ATOM 0 H GLY A 20 5.207 8.803 -4.099 1.00 53.24 H new ATOM 0 HA2 GLY A 20 6.894 8.240 -1.920 1.00 62.14 H new ATOM 0 HA3 GLY A 20 5.331 9.029 -1.870 1.00 62.14 H new ATOM 318 N VAL A 21 4.305 6.248 -2.178 1.00 22.40 N ATOM 319 CA VAL A 21 3.678 5.038 -1.634 1.00 74.13 C ATOM 320 C VAL A 21 4.731 3.979 -1.278 1.00 33.44 C ATOM 321 O VAL A 21 4.617 3.297 -0.261 1.00 24.04 O ATOM 322 CB VAL A 21 2.654 4.436 -2.631 1.00 43.05 C ATOM 323 CG1 VAL A 21 2.091 3.110 -2.116 1.00 11.05 C ATOM 324 CG2 VAL A 21 1.526 5.432 -2.907 1.00 3.22 C ATOM 0 H VAL A 21 3.951 6.527 -3.093 1.00 22.40 H new ATOM 0 HA VAL A 21 3.152 5.332 -0.726 1.00 74.13 H new ATOM 0 HB VAL A 21 3.175 4.234 -3.567 1.00 43.05 H new ATOM 0 HG11 VAL A 21 1.376 2.714 -2.837 1.00 11.05 H new ATOM 0 HG12 VAL A 21 2.904 2.397 -1.982 1.00 11.05 H new ATOM 0 HG13 VAL A 21 1.591 3.273 -1.162 1.00 11.05 H new ATOM 0 HG21 VAL A 21 0.817 4.993 -3.609 1.00 3.22 H new ATOM 0 HG22 VAL A 21 1.014 5.670 -1.974 1.00 3.22 H new ATOM 0 HG23 VAL A 21 1.942 6.344 -3.335 1.00 3.22 H new ATOM 334 N ALA A 22 5.767 3.865 -2.111 1.00 10.13 N ATOM 335 CA ALA A 22 6.873 2.938 -1.844 1.00 51.13 C ATOM 336 C ALA A 22 7.486 3.191 -0.459 1.00 41.10 C ATOM 337 O ALA A 22 7.679 2.262 0.327 1.00 14.51 O ATOM 338 CB ALA A 22 7.938 3.064 -2.929 1.00 0.21 C ATOM 0 H ALA A 22 5.865 4.400 -2.974 1.00 10.13 H new ATOM 0 HA ALA A 22 6.476 1.923 -1.854 1.00 51.13 H new ATOM 0 HB1 ALA A 22 8.754 2.372 -2.720 1.00 0.21 H new ATOM 0 HB2 ALA A 22 7.500 2.827 -3.898 1.00 0.21 H new ATOM 0 HB3 ALA A 22 8.323 4.084 -2.944 1.00 0.21 H new ATOM 344 N GLY A 23 7.763 4.460 -0.163 1.00 24.22 N ATOM 345 CA GLY A 23 8.307 4.830 1.137 1.00 0.14 C ATOM 346 C GLY A 23 7.370 4.491 2.291 1.00 52.21 C ATOM 347 O GLY A 23 7.806 4.002 3.338 1.00 13.41 O ATOM 0 H GLY A 23 7.620 5.242 -0.802 1.00 24.22 H new ATOM 0 HA2 GLY A 23 9.258 4.319 1.286 1.00 0.14 H new ATOM 0 HA3 GLY A 23 8.515 5.900 1.147 1.00 0.14 H new ATOM 351 N VAL A 24 6.077 4.752 2.097 1.00 21.45 N ATOM 352 CA VAL A 24 5.056 4.414 3.096 1.00 32.33 C ATOM 353 C VAL A 24 5.011 2.900 3.353 1.00 2.52 C ATOM 354 O VAL A 24 5.018 2.456 4.500 1.00 74.35 O ATOM 355 CB VAL A 24 3.651 4.901 2.656 1.00 40.14 C ATOM 356 CG1 VAL A 24 2.606 4.610 3.734 1.00 4.34 C ATOM 357 CG2 VAL A 24 3.686 6.389 2.316 1.00 44.42 C ATOM 0 H VAL A 24 5.709 5.197 1.256 1.00 21.45 H new ATOM 0 HA VAL A 24 5.333 4.924 4.018 1.00 32.33 H new ATOM 0 HB VAL A 24 3.364 4.351 1.760 1.00 40.14 H new ATOM 0 HG11 VAL A 24 1.630 4.962 3.399 1.00 4.34 H new ATOM 0 HG12 VAL A 24 2.561 3.536 3.917 1.00 4.34 H new ATOM 0 HG13 VAL A 24 2.881 5.124 4.655 1.00 4.34 H new ATOM 0 HG21 VAL A 24 2.692 6.716 2.009 1.00 44.42 H new ATOM 0 HG22 VAL A 24 3.999 6.955 3.193 1.00 44.42 H new ATOM 0 HG23 VAL A 24 4.391 6.560 1.503 1.00 44.42 H new ATOM 367 N LEU A 25 4.981 2.116 2.278 1.00 61.42 N ATOM 368 CA LEU A 25 4.987 0.653 2.380 1.00 12.11 C ATOM 369 C LEU A 25 6.240 0.155 3.118 1.00 75.01 C ATOM 370 O LEU A 25 6.161 -0.728 3.970 1.00 22.32 O ATOM 371 CB LEU A 25 4.906 0.020 0.980 1.00 13.42 C ATOM 372 CG LEU A 25 3.643 0.373 0.172 1.00 40.13 C ATOM 373 CD1 LEU A 25 3.686 -0.269 -1.212 1.00 2.32 C ATOM 374 CD2 LEU A 25 2.381 -0.048 0.924 1.00 73.35 C ATOM 0 H LEU A 25 4.952 2.468 1.321 1.00 61.42 H new ATOM 0 HA LEU A 25 4.112 0.351 2.956 1.00 12.11 H new ATOM 0 HB2 LEU A 25 5.781 0.328 0.408 1.00 13.42 H new ATOM 0 HB3 LEU A 25 4.959 -1.064 1.085 1.00 13.42 H new ATOM 0 HG LEU A 25 3.617 1.455 0.044 1.00 40.13 H new ATOM 0 HD11 LEU A 25 2.784 -0.005 -1.764 1.00 2.32 H new ATOM 0 HD12 LEU A 25 4.561 0.092 -1.753 1.00 2.32 H new ATOM 0 HD13 LEU A 25 3.745 -1.353 -1.109 1.00 2.32 H new ATOM 0 HD21 LEU A 25 1.502 0.212 0.334 1.00 73.35 H new ATOM 0 HD22 LEU A 25 2.400 -1.125 1.092 1.00 73.35 H new ATOM 0 HD23 LEU A 25 2.340 0.469 1.883 1.00 73.35 H new ATOM 386 N ARG A 26 7.393 0.730 2.787 1.00 44.32 N ATOM 387 CA ARG A 26 8.645 0.419 3.490 1.00 45.24 C ATOM 388 C ARG A 26 8.552 0.799 4.979 1.00 70.10 C ATOM 389 O ARG A 26 9.097 0.110 5.843 1.00 63.20 O ATOM 390 CB ARG A 26 9.823 1.150 2.829 1.00 12.14 C ATOM 391 CG ARG A 26 10.101 0.695 1.397 1.00 10.52 C ATOM 392 CD ARG A 26 11.185 1.535 0.729 1.00 60.54 C ATOM 393 NE ARG A 26 12.471 1.444 1.420 1.00 71.33 N ATOM 394 CZ ARG A 26 13.508 2.194 1.145 1.00 20.35 C ATOM 395 NH1 ARG A 26 13.438 3.108 0.230 1.00 40.24 N ATOM 396 NH2 ARG A 26 14.614 2.033 1.800 1.00 42.22 N ATOM 0 H ARG A 26 7.492 1.414 2.037 1.00 44.32 H new ATOM 0 HA ARG A 26 8.813 -0.656 3.423 1.00 45.24 H new ATOM 0 HB2 ARG A 26 9.620 2.221 2.828 1.00 12.14 H new ATOM 0 HB3 ARG A 26 10.719 0.996 3.431 1.00 12.14 H new ATOM 0 HG2 ARG A 26 10.405 -0.352 1.402 1.00 10.52 H new ATOM 0 HG3 ARG A 26 9.183 0.757 0.813 1.00 10.52 H new ATOM 0 HD2 ARG A 26 11.308 1.209 -0.304 1.00 60.54 H new ATOM 0 HD3 ARG A 26 10.866 2.577 0.699 1.00 60.54 H new ATOM 0 HE ARG A 26 12.566 0.752 2.163 1.00 71.33 H new ATOM 0 HH11 ARG A 26 12.569 3.249 -0.284 1.00 40.24 H new ATOM 0 HH12 ARG A 26 14.252 3.687 0.024 1.00 40.24 H new ATOM 0 HH21 ARG A 26 14.676 1.322 2.529 1.00 42.22 H new ATOM 0 HH22 ARG A 26 15.423 2.617 1.587 1.00 42.22 H new ATOM 410 N SER A 27 7.859 1.899 5.271 1.00 3.44 N ATOM 411 CA SER A 27 7.619 2.324 6.658 1.00 4.23 C ATOM 412 C SER A 27 6.709 1.325 7.387 1.00 13.24 C ATOM 413 O SER A 27 6.912 1.015 8.564 1.00 5.45 O ATOM 414 CB SER A 27 6.988 3.725 6.685 1.00 51.25 C ATOM 415 OG SER A 27 6.745 4.165 8.014 1.00 65.22 O ATOM 0 H SER A 27 7.452 2.516 4.568 1.00 3.44 H new ATOM 0 HA SER A 27 8.579 2.356 7.173 1.00 4.23 H new ATOM 0 HB2 SER A 27 7.649 4.432 6.182 1.00 51.25 H new ATOM 0 HB3 SER A 27 6.051 3.713 6.128 1.00 51.25 H new ATOM 0 HG SER A 27 6.345 5.059 7.994 1.00 65.22 H new ATOM 421 N TYR A 28 5.713 0.813 6.666 1.00 32.34 N ATOM 422 CA TYR A 28 4.769 -0.169 7.210 1.00 71.14 C ATOM 423 C TYR A 28 5.181 -1.616 6.875 1.00 73.42 C ATOM 424 O TYR A 28 4.334 -2.502 6.815 1.00 23.43 O ATOM 425 CB TYR A 28 3.356 0.112 6.672 1.00 62.10 C ATOM 426 CG TYR A 28 2.686 1.321 7.302 1.00 72.35 C ATOM 427 CD1 TYR A 28 3.074 2.617 6.976 1.00 74.21 C ATOM 428 CD2 TYR A 28 1.659 1.162 8.227 1.00 71.13 C ATOM 429 CE1 TYR A 28 2.461 3.714 7.552 1.00 54.30 C ATOM 430 CE2 TYR A 28 1.042 2.253 8.805 1.00 41.12 C ATOM 431 CZ TYR A 28 1.448 3.526 8.465 1.00 40.21 C ATOM 432 OH TYR A 28 0.830 4.615 9.039 1.00 22.44 O ATOM 0 H TYR A 28 5.536 1.064 5.693 1.00 32.34 H new ATOM 0 HA TYR A 28 4.778 -0.069 8.295 1.00 71.14 H new ATOM 0 HB2 TYR A 28 3.411 0.261 5.594 1.00 62.10 H new ATOM 0 HB3 TYR A 28 2.732 -0.766 6.841 1.00 62.10 H new ATOM 0 HD1 TYR A 28 3.868 2.769 6.260 1.00 74.21 H new ATOM 0 HD2 TYR A 28 1.339 0.167 8.498 1.00 71.13 H new ATOM 0 HE1 TYR A 28 2.775 4.713 7.287 1.00 54.30 H new ATOM 0 HE2 TYR A 28 0.245 2.110 9.520 1.00 41.12 H new ATOM 0 HH TYR A 28 0.290 4.320 9.802 1.00 22.44 H new ATOM 442 N ASN A 29 6.480 -1.847 6.640 1.00 1.44 N ATOM 443 CA ASN A 29 7.017 -3.209 6.428 1.00 1.42 C ATOM 444 C ASN A 29 6.602 -3.826 5.066 1.00 43.34 C ATOM 445 O ASN A 29 7.220 -4.790 4.600 1.00 74.41 O ATOM 446 CB ASN A 29 6.595 -4.117 7.599 1.00 72.42 C ATOM 447 CG ASN A 29 6.927 -5.580 7.380 1.00 72.02 C ATOM 448 OD1 ASN A 29 6.116 -6.340 6.866 1.00 12.44 O ATOM 449 ND2 ASN A 29 8.121 -5.987 7.754 1.00 14.43 N ATOM 0 H ASN A 29 7.184 -1.110 6.591 1.00 1.44 H new ATOM 0 HA ASN A 29 8.104 -3.129 6.397 1.00 1.42 H new ATOM 0 HB2 ASN A 29 7.086 -3.774 8.510 1.00 72.42 H new ATOM 0 HB3 ASN A 29 5.521 -4.016 7.758 1.00 72.42 H new ATOM 0 HD21 ASN A 29 8.394 -6.961 7.618 1.00 14.43 H new ATOM 0 HD22 ASN A 29 8.774 -5.329 8.179 1.00 14.43 H new ATOM 456 N LEU A 30 5.593 -3.254 4.410 1.00 3.45 N ATOM 457 CA LEU A 30 5.083 -3.787 3.136 1.00 62.12 C ATOM 458 C LEU A 30 6.051 -3.550 1.961 1.00 14.13 C ATOM 459 O LEU A 30 5.756 -3.911 0.824 1.00 1.33 O ATOM 460 CB LEU A 30 3.715 -3.167 2.811 1.00 43.14 C ATOM 461 CG LEU A 30 2.593 -3.473 3.820 1.00 11.45 C ATOM 462 CD1 LEU A 30 1.293 -2.788 3.413 1.00 3.52 C ATOM 463 CD2 LEU A 30 2.381 -4.979 3.952 1.00 45.42 C ATOM 0 H LEU A 30 5.108 -2.419 4.737 1.00 3.45 H new ATOM 0 HA LEU A 30 4.984 -4.865 3.263 1.00 62.12 H new ATOM 0 HB2 LEU A 30 3.833 -2.086 2.742 1.00 43.14 H new ATOM 0 HB3 LEU A 30 3.401 -3.517 1.828 1.00 43.14 H new ATOM 0 HG LEU A 30 2.898 -3.080 4.790 1.00 11.45 H new ATOM 0 HD11 LEU A 30 0.516 -3.020 4.142 1.00 3.52 H new ATOM 0 HD12 LEU A 30 1.446 -1.709 3.376 1.00 3.52 H new ATOM 0 HD13 LEU A 30 0.986 -3.145 2.430 1.00 3.52 H new ATOM 0 HD21 LEU A 30 1.584 -5.173 4.670 1.00 45.42 H new ATOM 0 HD22 LEU A 30 2.105 -5.394 2.983 1.00 45.42 H new ATOM 0 HD23 LEU A 30 3.302 -5.447 4.298 1.00 45.42 H new ATOM 475 N GLY A 31 7.213 -2.961 2.236 1.00 11.51 N ATOM 476 CA GLY A 31 8.211 -2.732 1.188 1.00 22.10 C ATOM 477 C GLY A 31 8.721 -4.019 0.534 1.00 24.33 C ATOM 478 O GLY A 31 9.417 -3.976 -0.481 1.00 42.12 O ATOM 0 H GLY A 31 7.487 -2.636 3.163 1.00 11.51 H new ATOM 0 HA2 GLY A 31 7.778 -2.091 0.420 1.00 22.10 H new ATOM 0 HA3 GLY A 31 9.056 -2.192 1.615 1.00 22.10 H new ATOM 482 N CYS A 32 8.379 -5.167 1.117 1.00 2.34 N ATOM 483 CA CYS A 32 8.790 -6.468 0.573 1.00 23.12 C ATOM 484 C CYS A 32 7.775 -7.020 -0.448 1.00 23.43 C ATOM 485 O CYS A 32 7.850 -8.191 -0.827 1.00 22.45 O ATOM 486 CB CYS A 32 8.979 -7.479 1.711 1.00 51.34 C ATOM 487 SG CYS A 32 10.164 -6.962 2.978 1.00 11.13 S ATOM 0 H CYS A 32 7.818 -5.226 1.967 1.00 2.34 H new ATOM 0 HA CYS A 32 9.735 -6.316 0.051 1.00 23.12 H new ATOM 0 HB2 CYS A 32 8.014 -7.660 2.185 1.00 51.34 H new ATOM 0 HB3 CYS A 32 9.309 -8.428 1.287 1.00 51.34 H new ATOM 0 HG CYS A 32 10.250 -7.881 3.893 1.00 11.13 H new ATOM 493 N ILE A 33 6.836 -6.178 -0.901 1.00 11.00 N ATOM 494 CA ILE A 33 5.829 -6.595 -1.897 1.00 25.25 C ATOM 495 C ILE A 33 6.467 -7.202 -3.157 1.00 64.52 C ATOM 496 O ILE A 33 5.873 -8.066 -3.805 1.00 24.42 O ATOM 497 CB ILE A 33 4.901 -5.428 -2.317 1.00 4.44 C ATOM 498 CG1 ILE A 33 5.726 -4.188 -2.699 1.00 53.43 C ATOM 499 CG2 ILE A 33 3.902 -5.116 -1.207 1.00 12.24 C ATOM 500 CD1 ILE A 33 4.893 -3.029 -3.211 1.00 31.42 C ATOM 0 H ILE A 33 6.749 -5.208 -0.598 1.00 11.00 H new ATOM 0 HA ILE A 33 5.234 -7.361 -1.400 1.00 25.25 H new ATOM 0 HB ILE A 33 4.336 -5.731 -3.199 1.00 4.44 H new ATOM 0 HG12 ILE A 33 6.293 -3.858 -1.828 1.00 53.43 H new ATOM 0 HG13 ILE A 33 6.451 -4.467 -3.464 1.00 53.43 H new ATOM 0 HG21 ILE A 33 3.258 -4.294 -1.518 1.00 12.24 H new ATOM 0 HG22 ILE A 33 3.294 -5.998 -1.006 1.00 12.24 H new ATOM 0 HG23 ILE A 33 4.440 -4.833 -0.302 1.00 12.24 H new ATOM 0 HD11 ILE A 33 5.547 -2.193 -3.459 1.00 31.42 H new ATOM 0 HD12 ILE A 33 4.347 -3.339 -4.102 1.00 31.42 H new ATOM 0 HD13 ILE A 33 4.186 -2.721 -2.441 1.00 31.42 H new ATOM 512 N GLY A 34 7.672 -6.753 -3.497 1.00 72.22 N ATOM 513 CA GLY A 34 8.390 -7.325 -4.631 1.00 51.14 C ATOM 514 C GLY A 34 8.782 -8.783 -4.398 1.00 21.20 C ATOM 515 O GLY A 34 8.585 -9.637 -5.265 1.00 75.44 O ATOM 0 H GLY A 34 8.166 -6.005 -3.011 1.00 72.22 H new ATOM 0 HA2 GLY A 34 7.767 -7.257 -5.523 1.00 51.14 H new ATOM 0 HA3 GLY A 34 9.287 -6.737 -4.823 1.00 51.14 H new ATOM 519 N CYS A 35 9.313 -9.072 -3.212 1.00 61.41 N ATOM 520 CA CYS A 35 9.735 -10.436 -2.860 1.00 5.10 C ATOM 521 C CYS A 35 8.538 -11.376 -2.661 1.00 14.01 C ATOM 522 O CYS A 35 8.596 -12.544 -3.041 1.00 32.43 O ATOM 523 CB CYS A 35 10.591 -10.431 -1.589 1.00 53.42 C ATOM 524 SG CYS A 35 11.170 -12.072 -1.084 1.00 71.24 S ATOM 0 H CYS A 35 9.463 -8.383 -2.475 1.00 61.41 H new ATOM 0 HA CYS A 35 10.326 -10.806 -3.697 1.00 5.10 H new ATOM 0 HB2 CYS A 35 11.455 -9.785 -1.747 1.00 53.42 H new ATOM 0 HB3 CYS A 35 10.012 -9.995 -0.775 1.00 53.42 H new ATOM 0 HG CYS A 35 10.430 -12.984 -1.642 1.00 71.24 H new ATOM 530 N MET A 36 7.456 -10.869 -2.065 1.00 12.42 N ATOM 531 CA MET A 36 6.246 -11.681 -1.840 1.00 62.01 C ATOM 532 C MET A 36 5.326 -11.691 -3.076 1.00 31.21 C ATOM 533 O MET A 36 4.300 -12.375 -3.090 1.00 63.41 O ATOM 534 CB MET A 36 5.476 -11.177 -0.609 1.00 45.13 C ATOM 535 CG MET A 36 5.014 -9.732 -0.717 1.00 70.41 C ATOM 536 SD MET A 36 4.106 -9.167 0.738 1.00 10.11 S ATOM 537 CE MET A 36 2.638 -10.192 0.649 1.00 12.12 C ATOM 0 H MET A 36 7.388 -9.908 -1.730 1.00 12.42 H new ATOM 0 HA MET A 36 6.572 -12.705 -1.659 1.00 62.01 H new ATOM 0 HB2 MET A 36 4.606 -11.815 -0.451 1.00 45.13 H new ATOM 0 HB3 MET A 36 6.111 -11.280 0.271 1.00 45.13 H new ATOM 0 HG2 MET A 36 5.882 -9.090 -0.868 1.00 70.41 H new ATOM 0 HG3 MET A 36 4.381 -9.624 -1.597 1.00 70.41 H new ATOM 0 HE1 MET A 36 1.764 -9.600 0.919 1.00 12.12 H new ATOM 0 HE2 MET A 36 2.520 -10.571 -0.366 1.00 12.12 H new ATOM 0 HE3 MET A 36 2.736 -11.029 1.340 1.00 12.12 H new ATOM 547 N GLY A 37 5.699 -10.925 -4.104 1.00 4.25 N ATOM 548 CA GLY A 37 4.928 -10.891 -5.346 1.00 11.44 C ATOM 549 C GLY A 37 3.502 -10.371 -5.166 1.00 10.10 C ATOM 550 O GLY A 37 2.538 -11.009 -5.592 1.00 60.55 O ATOM 0 H GLY A 37 6.524 -10.325 -4.100 1.00 4.25 H new ATOM 0 HA2 GLY A 37 5.447 -10.262 -6.069 1.00 11.44 H new ATOM 0 HA3 GLY A 37 4.889 -11.895 -5.768 1.00 11.44 H new ATOM 554 N ALA A 38 3.369 -9.201 -4.546 1.00 12.22 N ATOM 555 CA ALA A 38 2.051 -8.634 -4.228 1.00 73.43 C ATOM 556 C ALA A 38 1.673 -7.454 -5.140 1.00 20.40 C ATOM 557 O ALA A 38 0.812 -6.651 -4.791 1.00 75.51 O ATOM 558 CB ALA A 38 2.018 -8.199 -2.766 1.00 54.40 C ATOM 0 H ALA A 38 4.156 -8.623 -4.251 1.00 12.22 H new ATOM 0 HA ALA A 38 1.312 -9.416 -4.403 1.00 73.43 H new ATOM 0 HB1 ALA A 38 1.039 -7.779 -2.533 1.00 54.40 H new ATOM 0 HB2 ALA A 38 2.204 -9.061 -2.126 1.00 54.40 H new ATOM 0 HB3 ALA A 38 2.787 -7.446 -2.593 1.00 54.40 H new ATOM 564 N GLN A 39 2.290 -7.359 -6.321 1.00 72.52 N ATOM 565 CA GLN A 39 1.985 -6.259 -7.256 1.00 20.11 C ATOM 566 C GLN A 39 0.511 -6.275 -7.701 1.00 44.40 C ATOM 567 O GLN A 39 -0.152 -5.237 -7.712 1.00 24.24 O ATOM 568 CB GLN A 39 2.907 -6.306 -8.485 1.00 53.21 C ATOM 569 CG GLN A 39 4.358 -5.938 -8.183 1.00 44.02 C ATOM 570 CD GLN A 39 4.505 -4.522 -7.643 1.00 43.41 C ATOM 571 OE1 GLN A 39 4.452 -4.375 -6.333 1.00 64.22 O flip ATOM 572 NE2 GLN A 39 4.673 -3.565 -8.394 1.00 10.11 N flip ATOM 0 H GLN A 39 2.994 -8.017 -6.654 1.00 72.52 H new ATOM 0 HA GLN A 39 2.163 -5.328 -6.718 1.00 20.11 H new ATOM 0 HB2 GLN A 39 2.878 -7.309 -8.911 1.00 53.21 H new ATOM 0 HB3 GLN A 39 2.520 -5.626 -9.244 1.00 53.21 H new ATOM 0 HG2 GLN A 39 4.764 -6.643 -7.458 1.00 44.02 H new ATOM 0 HG3 GLN A 39 4.951 -6.039 -9.092 1.00 44.02 H new ATOM 0 HE21 GLN A 39 4.710 -3.709 -9.403 1.00 10.11 H new ATOM 0 HE22 GLN A 39 4.776 -2.626 -8.009 1.00 10.11 H new ATOM 581 N ASN A 40 -0.001 -7.455 -8.051 1.00 15.31 N ATOM 582 CA ASN A 40 -1.398 -7.596 -8.499 1.00 50.43 C ATOM 583 C ASN A 40 -2.359 -7.731 -7.306 1.00 63.15 C ATOM 584 O ASN A 40 -3.581 -7.744 -7.471 1.00 63.43 O ATOM 585 CB ASN A 40 -1.538 -8.815 -9.417 1.00 13.12 C ATOM 586 CG ASN A 40 -0.535 -8.800 -10.557 1.00 24.43 C ATOM 587 OD1 ASN A 40 -0.778 -8.220 -11.608 1.00 41.53 O ATOM 588 ND2 ASN A 40 0.602 -9.439 -10.358 1.00 3.01 N ATOM 0 H ASN A 40 0.525 -8.329 -8.035 1.00 15.31 H new ATOM 0 HA ASN A 40 -1.663 -6.694 -9.050 1.00 50.43 H new ATOM 0 HB2 ASN A 40 -1.405 -9.725 -8.831 1.00 13.12 H new ATOM 0 HB3 ASN A 40 -2.548 -8.844 -9.826 1.00 13.12 H new ATOM 0 HD21 ASN A 40 1.310 -9.460 -11.092 1.00 3.01 H new ATOM 0 HD22 ASN A 40 0.773 -9.912 -9.471 1.00 3.01 H new ATOM 595 N GLU A 41 -1.796 -7.821 -6.106 1.00 11.20 N ATOM 596 CA GLU A 41 -2.583 -7.998 -4.882 1.00 42.24 C ATOM 597 C GLU A 41 -3.027 -6.638 -4.311 1.00 50.15 C ATOM 598 O GLU A 41 -2.310 -5.641 -4.429 1.00 3.43 O ATOM 599 CB GLU A 41 -1.745 -8.781 -3.858 1.00 71.23 C ATOM 600 CG GLU A 41 -2.473 -9.124 -2.563 1.00 3.33 C ATOM 601 CD GLU A 41 -1.737 -10.175 -1.738 1.00 41.23 C ATOM 602 OE1 GLU A 41 -0.817 -9.816 -0.978 1.00 21.40 O ATOM 603 OE2 GLU A 41 -2.072 -11.375 -1.864 1.00 61.41 O ATOM 0 H GLU A 41 -0.789 -7.774 -5.950 1.00 11.20 H new ATOM 0 HA GLU A 41 -3.487 -8.561 -5.112 1.00 42.24 H new ATOM 0 HB2 GLU A 41 -1.402 -9.706 -4.322 1.00 71.23 H new ATOM 0 HB3 GLU A 41 -0.856 -8.198 -3.615 1.00 71.23 H new ATOM 0 HG2 GLU A 41 -2.594 -8.219 -1.968 1.00 3.33 H new ATOM 0 HG3 GLU A 41 -3.474 -9.487 -2.798 1.00 3.33 H new ATOM 610 N SER A 42 -4.218 -6.594 -3.708 1.00 34.34 N ATOM 611 CA SER A 42 -4.765 -5.335 -3.179 1.00 63.51 C ATOM 612 C SER A 42 -4.079 -4.918 -1.872 1.00 62.41 C ATOM 613 O SER A 42 -3.624 -5.762 -1.095 1.00 34.32 O ATOM 614 CB SER A 42 -6.282 -5.439 -2.951 1.00 65.24 C ATOM 615 OG SER A 42 -6.597 -6.300 -1.869 1.00 23.22 O ATOM 0 H SER A 42 -4.820 -7.406 -3.573 1.00 34.34 H new ATOM 0 HA SER A 42 -4.568 -4.571 -3.931 1.00 63.51 H new ATOM 0 HB2 SER A 42 -6.688 -4.447 -2.755 1.00 65.24 H new ATOM 0 HB3 SER A 42 -6.761 -5.806 -3.859 1.00 65.24 H new ATOM 0 HG SER A 42 -7.569 -6.339 -1.754 1.00 23.22 H new ATOM 621 N LEU A 43 -4.029 -3.605 -1.633 1.00 50.55 N ATOM 622 CA LEU A 43 -3.402 -3.042 -0.424 1.00 52.23 C ATOM 623 C LEU A 43 -3.890 -3.737 0.856 1.00 42.11 C ATOM 624 O LEU A 43 -3.108 -3.998 1.772 1.00 52.30 O ATOM 625 CB LEU A 43 -3.692 -1.535 -0.339 1.00 33.10 C ATOM 626 CG LEU A 43 -3.105 -0.684 -1.478 1.00 52.10 C ATOM 627 CD1 LEU A 43 -3.571 0.762 -1.365 1.00 10.52 C ATOM 628 CD2 LEU A 43 -1.582 -0.754 -1.474 1.00 12.51 C ATOM 0 H LEU A 43 -4.417 -2.903 -2.263 1.00 50.55 H new ATOM 0 HA LEU A 43 -2.328 -3.210 -0.503 1.00 52.23 H new ATOM 0 HB2 LEU A 43 -4.772 -1.391 -0.320 1.00 33.10 H new ATOM 0 HB3 LEU A 43 -3.304 -1.161 0.608 1.00 33.10 H new ATOM 0 HG LEU A 43 -3.465 -1.089 -2.424 1.00 52.10 H new ATOM 0 HD11 LEU A 43 -3.144 1.347 -2.180 1.00 10.52 H new ATOM 0 HD12 LEU A 43 -4.659 0.799 -1.422 1.00 10.52 H new ATOM 0 HD13 LEU A 43 -3.244 1.176 -0.411 1.00 10.52 H new ATOM 0 HD21 LEU A 43 -1.188 -0.145 -2.288 1.00 12.51 H new ATOM 0 HD22 LEU A 43 -1.203 -0.379 -0.523 1.00 12.51 H new ATOM 0 HD23 LEU A 43 -1.265 -1.788 -1.608 1.00 12.51 H new ATOM 640 N GLU A 44 -5.183 -4.044 0.907 1.00 73.54 N ATOM 641 CA GLU A 44 -5.778 -4.697 2.077 1.00 52.51 C ATOM 642 C GLU A 44 -5.225 -6.116 2.296 1.00 33.44 C ATOM 643 O GLU A 44 -4.825 -6.465 3.409 1.00 13.31 O ATOM 644 CB GLU A 44 -7.304 -4.742 1.942 1.00 32.33 C ATOM 645 CG GLU A 44 -8.010 -5.452 3.094 1.00 64.55 C ATOM 646 CD GLU A 44 -9.523 -5.360 3.004 1.00 11.33 C ATOM 647 OE1 GLU A 44 -10.097 -5.890 2.029 1.00 62.52 O ATOM 648 OE2 GLU A 44 -10.143 -4.756 3.902 1.00 74.41 O ATOM 0 H GLU A 44 -5.842 -3.852 0.153 1.00 73.54 H new ATOM 0 HA GLU A 44 -5.508 -4.103 2.950 1.00 52.51 H new ATOM 0 HB2 GLU A 44 -7.682 -3.722 1.871 1.00 32.33 H new ATOM 0 HB3 GLU A 44 -7.561 -5.243 1.008 1.00 32.33 H new ATOM 0 HG2 GLU A 44 -7.714 -6.501 3.104 1.00 64.55 H new ATOM 0 HG3 GLU A 44 -7.680 -5.019 4.038 1.00 64.55 H new ATOM 655 N GLN A 45 -5.197 -6.928 1.239 1.00 43.10 N ATOM 656 CA GLN A 45 -4.733 -8.318 1.350 1.00 33.24 C ATOM 657 C GLN A 45 -3.292 -8.381 1.886 1.00 55.34 C ATOM 658 O GLN A 45 -3.005 -9.107 2.840 1.00 34.24 O ATOM 659 CB GLN A 45 -4.826 -9.025 -0.010 1.00 14.11 C ATOM 660 CG GLN A 45 -6.225 -9.008 -0.618 1.00 74.30 C ATOM 661 CD GLN A 45 -6.296 -9.714 -1.966 1.00 0.41 C ATOM 662 OE1 GLN A 45 -5.578 -10.673 -2.220 1.00 22.11 O ATOM 663 NE2 GLN A 45 -7.155 -9.233 -2.843 1.00 24.54 N ATOM 0 H GLN A 45 -5.487 -6.653 0.301 1.00 43.10 H new ATOM 0 HA GLN A 45 -5.381 -8.832 2.059 1.00 33.24 H new ATOM 0 HB2 GLN A 45 -4.132 -8.550 -0.704 1.00 14.11 H new ATOM 0 HB3 GLN A 45 -4.503 -10.060 0.106 1.00 14.11 H new ATOM 0 HG2 GLN A 45 -6.921 -9.484 0.073 1.00 74.30 H new ATOM 0 HG3 GLN A 45 -6.551 -7.975 -0.737 1.00 74.30 H new ATOM 0 HE21 GLN A 45 -7.738 -8.433 -2.599 1.00 24.54 H new ATOM 0 HE22 GLN A 45 -7.236 -9.661 -3.765 1.00 24.54 H new ATOM 672 N GLY A 46 -2.397 -7.604 1.276 1.00 52.44 N ATOM 673 CA GLY A 46 -1.015 -7.540 1.739 1.00 61.44 C ATOM 674 C GLY A 46 -0.889 -7.013 3.169 1.00 31.34 C ATOM 675 O GLY A 46 -0.068 -7.503 3.953 1.00 73.21 O ATOM 0 H GLY A 46 -2.603 -7.016 0.468 1.00 52.44 H new ATOM 0 HA2 GLY A 46 -0.572 -8.535 1.684 1.00 61.44 H new ATOM 0 HA3 GLY A 46 -0.442 -6.899 1.069 1.00 61.44 H new ATOM 679 N ALA A 47 -1.703 -6.010 3.506 1.00 50.50 N ATOM 680 CA ALA A 47 -1.725 -5.447 4.861 1.00 71.35 C ATOM 681 C ALA A 47 -2.052 -6.521 5.911 1.00 63.23 C ATOM 682 O ALA A 47 -1.268 -6.767 6.830 1.00 44.03 O ATOM 683 CB ALA A 47 -2.732 -4.303 4.941 1.00 25.40 C ATOM 0 H ALA A 47 -2.357 -5.569 2.859 1.00 50.50 H new ATOM 0 HA ALA A 47 -0.729 -5.061 5.079 1.00 71.35 H new ATOM 0 HB1 ALA A 47 -2.739 -3.894 5.951 1.00 25.40 H new ATOM 0 HB2 ALA A 47 -2.452 -3.521 4.235 1.00 25.40 H new ATOM 0 HB3 ALA A 47 -3.726 -4.675 4.694 1.00 25.40 H new ATOM 689 N ASN A 48 -3.209 -7.172 5.762 1.00 41.52 N ATOM 690 CA ASN A 48 -3.628 -8.226 6.698 1.00 52.31 C ATOM 691 C ASN A 48 -2.644 -9.404 6.705 1.00 25.45 C ATOM 692 O ASN A 48 -2.413 -10.020 7.748 1.00 21.33 O ATOM 693 CB ASN A 48 -5.037 -8.732 6.369 1.00 64.41 C ATOM 694 CG ASN A 48 -6.096 -7.659 6.549 1.00 13.52 C ATOM 695 OD1 ASN A 48 -6.615 -7.458 7.643 1.00 42.53 O ATOM 696 ND2 ASN A 48 -6.450 -6.977 5.483 1.00 63.21 N ATOM 0 H ASN A 48 -3.871 -6.991 5.007 1.00 41.52 H new ATOM 0 HA ASN A 48 -3.636 -7.779 7.692 1.00 52.31 H new ATOM 0 HB2 ASN A 48 -5.060 -9.091 5.340 1.00 64.41 H new ATOM 0 HB3 ASN A 48 -5.273 -9.582 7.009 1.00 64.41 H new ATOM 0 HD21 ASN A 48 -7.172 -6.260 5.553 1.00 63.21 H new ATOM 0 HD22 ASN A 48 -6.002 -7.164 4.586 1.00 63.21 H new ATOM 703 N ALA A 49 -2.064 -9.714 5.544 1.00 50.12 N ATOM 704 CA ALA A 49 -1.054 -10.774 5.438 1.00 64.14 C ATOM 705 C ALA A 49 0.148 -10.502 6.360 1.00 71.40 C ATOM 706 O ALA A 49 0.745 -11.426 6.910 1.00 50.43 O ATOM 707 CB ALA A 49 -0.588 -10.926 3.992 1.00 14.43 C ATOM 0 H ALA A 49 -2.275 -9.247 4.662 1.00 50.12 H new ATOM 0 HA ALA A 49 -1.518 -11.706 5.760 1.00 64.14 H new ATOM 0 HB1 ALA A 49 0.161 -11.716 3.932 1.00 14.43 H new ATOM 0 HB2 ALA A 49 -1.439 -11.183 3.361 1.00 14.43 H new ATOM 0 HB3 ALA A 49 -0.153 -9.987 3.649 1.00 14.43 H new ATOM 713 N HIS A 50 0.496 -9.226 6.527 1.00 14.50 N ATOM 714 CA HIS A 50 1.594 -8.828 7.424 1.00 51.41 C ATOM 715 C HIS A 50 1.072 -8.391 8.809 1.00 22.22 C ATOM 716 O HIS A 50 1.835 -7.897 9.642 1.00 12.15 O ATOM 717 CB HIS A 50 2.425 -7.705 6.785 1.00 4.11 C ATOM 718 CG HIS A 50 3.227 -8.147 5.593 1.00 34.22 C ATOM 719 ND1 HIS A 50 4.604 -8.119 5.560 1.00 35.12 N ATOM 720 CD2 HIS A 50 2.841 -8.630 4.387 1.00 10.11 C ATOM 721 CE1 HIS A 50 5.027 -8.555 4.393 1.00 62.32 C ATOM 722 NE2 HIS A 50 3.981 -8.876 3.661 1.00 72.42 N ATOM 0 H HIS A 50 0.037 -8.447 6.055 1.00 14.50 H new ATOM 0 HA HIS A 50 2.230 -9.700 7.574 1.00 51.41 H new ATOM 0 HB2 HIS A 50 1.757 -6.898 6.483 1.00 4.11 H new ATOM 0 HB3 HIS A 50 3.102 -7.295 7.535 1.00 4.11 H new ATOM 0 HD1 HIS A 50 5.204 -7.808 6.324 1.00 35.12 H new ATOM 0 HD2 HIS A 50 1.825 -8.792 4.058 1.00 10.11 H new ATOM 0 HE1 HIS A 50 6.060 -8.636 4.087 1.00 62.32 H new ATOM 0 HE2 HIS A 50 4.012 -9.246 2.711 1.00 72.42 H new ATOM 731 N GLY A 51 -0.227 -8.592 9.048 1.00 31.52 N ATOM 732 CA GLY A 51 -0.833 -8.254 10.338 1.00 32.13 C ATOM 733 C GLY A 51 -0.951 -6.751 10.590 1.00 71.41 C ATOM 734 O GLY A 51 -0.691 -6.276 11.697 1.00 11.41 O ATOM 0 H GLY A 51 -0.877 -8.986 8.368 1.00 31.52 H new ATOM 0 HA2 GLY A 51 -1.826 -8.701 10.390 1.00 32.13 H new ATOM 0 HA3 GLY A 51 -0.240 -8.701 11.136 1.00 32.13 H new ATOM 738 N LEU A 52 -1.361 -6.003 9.568 1.00 32.15 N ATOM 739 CA LEU A 52 -1.478 -4.540 9.662 1.00 14.04 C ATOM 740 C LEU A 52 -2.916 -4.064 9.404 1.00 11.22 C ATOM 741 O LEU A 52 -3.723 -4.777 8.803 1.00 3.40 O ATOM 742 CB LEU A 52 -0.540 -3.878 8.644 1.00 4.53 C ATOM 743 CG LEU A 52 0.946 -4.241 8.788 1.00 62.42 C ATOM 744 CD1 LEU A 52 1.752 -3.665 7.628 1.00 2.50 C ATOM 745 CD2 LEU A 52 1.496 -3.757 10.129 1.00 53.30 C ATOM 0 H LEU A 52 -1.620 -6.384 8.658 1.00 32.15 H new ATOM 0 HA LEU A 52 -1.200 -4.253 10.676 1.00 14.04 H new ATOM 0 HB2 LEU A 52 -0.868 -4.151 7.641 1.00 4.53 H new ATOM 0 HB3 LEU A 52 -0.643 -2.796 8.730 1.00 4.53 H new ATOM 0 HG LEU A 52 1.038 -5.327 8.761 1.00 62.42 H new ATOM 0 HD11 LEU A 52 2.802 -3.932 7.747 1.00 2.50 H new ATOM 0 HD12 LEU A 52 1.378 -4.071 6.688 1.00 2.50 H new ATOM 0 HD13 LEU A 52 1.652 -2.580 7.619 1.00 2.50 H new ATOM 0 HD21 LEU A 52 2.549 -4.025 10.208 1.00 53.30 H new ATOM 0 HD22 LEU A 52 1.391 -2.674 10.196 1.00 53.30 H new ATOM 0 HD23 LEU A 52 0.940 -4.226 10.941 1.00 53.30 H new ATOM 757 N ASN A 53 -3.229 -2.852 9.865 1.00 64.11 N ATOM 758 CA ASN A 53 -4.525 -2.220 9.588 1.00 54.24 C ATOM 759 C ASN A 53 -4.463 -1.399 8.288 1.00 23.52 C ATOM 760 O ASN A 53 -3.782 -0.373 8.219 1.00 5.13 O ATOM 761 CB ASN A 53 -4.945 -1.322 10.764 1.00 44.03 C ATOM 762 CG ASN A 53 -6.231 -0.559 10.484 1.00 23.42 C ATOM 763 OD1 ASN A 53 -7.085 -1.012 9.729 1.00 60.01 O ATOM 764 ND2 ASN A 53 -6.380 0.604 11.087 1.00 43.35 N ATOM 0 H ASN A 53 -2.601 -2.284 10.435 1.00 64.11 H new ATOM 0 HA ASN A 53 -5.269 -3.007 9.464 1.00 54.24 H new ATOM 0 HB2 ASN A 53 -5.077 -1.935 11.656 1.00 44.03 H new ATOM 0 HB3 ASN A 53 -4.145 -0.613 10.979 1.00 44.03 H new ATOM 0 HD21 ASN A 53 -7.224 1.155 10.931 1.00 43.35 H new ATOM 0 HD22 ASN A 53 -5.651 0.953 11.709 1.00 43.35 H new ATOM 771 N VAL A 54 -5.188 -1.851 7.267 1.00 71.44 N ATOM 772 CA VAL A 54 -5.168 -1.199 5.951 1.00 13.42 C ATOM 773 C VAL A 54 -5.616 0.273 6.025 1.00 51.21 C ATOM 774 O VAL A 54 -5.070 1.127 5.331 1.00 62.11 O ATOM 775 CB VAL A 54 -6.048 -1.957 4.922 1.00 1.24 C ATOM 776 CG1 VAL A 54 -7.516 -1.971 5.347 1.00 64.23 C ATOM 777 CG2 VAL A 54 -5.889 -1.356 3.523 1.00 43.13 C ATOM 0 H VAL A 54 -5.798 -2.666 7.322 1.00 71.44 H new ATOM 0 HA VAL A 54 -4.131 -1.227 5.617 1.00 13.42 H new ATOM 0 HB VAL A 54 -5.705 -2.991 4.890 1.00 1.24 H new ATOM 0 HG11 VAL A 54 -8.105 -2.510 4.604 1.00 64.23 H new ATOM 0 HG12 VAL A 54 -7.610 -2.466 6.314 1.00 64.23 H new ATOM 0 HG13 VAL A 54 -7.882 -0.947 5.427 1.00 64.23 H new ATOM 0 HG21 VAL A 54 -6.515 -1.903 2.818 1.00 43.13 H new ATOM 0 HG22 VAL A 54 -6.192 -0.309 3.540 1.00 43.13 H new ATOM 0 HG23 VAL A 54 -4.846 -1.427 3.213 1.00 43.13 H new ATOM 787 N GLU A 55 -6.595 0.568 6.883 1.00 13.14 N ATOM 788 CA GLU A 55 -7.128 1.933 7.008 1.00 64.31 C ATOM 789 C GLU A 55 -6.052 2.927 7.481 1.00 74.31 C ATOM 790 O GLU A 55 -5.991 4.066 7.008 1.00 60.25 O ATOM 791 CB GLU A 55 -8.330 1.947 7.968 1.00 1.23 C ATOM 792 CG GLU A 55 -9.516 1.121 7.474 1.00 41.03 C ATOM 793 CD GLU A 55 -10.703 1.151 8.428 1.00 41.41 C ATOM 794 OE1 GLU A 55 -11.505 2.106 8.360 1.00 4.14 O ATOM 795 OE2 GLU A 55 -10.844 0.218 9.245 1.00 73.41 O ATOM 0 H GLU A 55 -7.035 -0.114 7.500 1.00 13.14 H new ATOM 0 HA GLU A 55 -7.455 2.252 6.019 1.00 64.31 H new ATOM 0 HB2 GLU A 55 -8.013 1.568 8.939 1.00 1.23 H new ATOM 0 HB3 GLU A 55 -8.653 2.977 8.118 1.00 1.23 H new ATOM 0 HG2 GLU A 55 -9.831 1.495 6.500 1.00 41.03 H new ATOM 0 HG3 GLU A 55 -9.198 0.088 7.332 1.00 41.03 H new ATOM 802 N ASP A 56 -5.193 2.488 8.402 1.00 61.40 N ATOM 803 CA ASP A 56 -4.101 3.329 8.904 1.00 12.24 C ATOM 804 C ASP A 56 -3.092 3.639 7.782 1.00 5.44 C ATOM 805 O ASP A 56 -2.526 4.734 7.717 1.00 43.32 O ATOM 806 CB ASP A 56 -3.400 2.631 10.074 1.00 40.11 C ATOM 807 CG ASP A 56 -2.478 3.564 10.846 1.00 14.15 C ATOM 808 OD1 ASP A 56 -2.960 4.246 11.776 1.00 71.21 O ATOM 809 OD2 ASP A 56 -1.271 3.612 10.540 1.00 33.42 O ATOM 0 H ASP A 56 -5.231 1.557 8.816 1.00 61.40 H new ATOM 0 HA ASP A 56 -4.520 4.272 9.254 1.00 12.24 H new ATOM 0 HB2 ASP A 56 -4.151 2.225 10.752 1.00 40.11 H new ATOM 0 HB3 ASP A 56 -2.823 1.787 9.696 1.00 40.11 H new ATOM 814 N ILE A 57 -2.892 2.662 6.894 1.00 41.12 N ATOM 815 CA ILE A 57 -1.998 2.823 5.743 1.00 1.41 C ATOM 816 C ILE A 57 -2.603 3.782 4.702 1.00 44.43 C ATOM 817 O ILE A 57 -1.959 4.746 4.279 1.00 32.11 O ATOM 818 CB ILE A 57 -1.712 1.458 5.066 1.00 43.41 C ATOM 819 CG1 ILE A 57 -1.214 0.435 6.101 1.00 72.14 C ATOM 820 CG2 ILE A 57 -0.692 1.619 3.936 1.00 54.13 C ATOM 821 CD1 ILE A 57 -1.029 -0.960 5.541 1.00 74.44 C ATOM 0 H ILE A 57 -3.339 1.747 6.950 1.00 41.12 H new ATOM 0 HA ILE A 57 -1.064 3.242 6.117 1.00 1.41 H new ATOM 0 HB ILE A 57 -2.643 1.088 4.637 1.00 43.41 H new ATOM 0 HG12 ILE A 57 -0.265 0.780 6.512 1.00 72.14 H new ATOM 0 HG13 ILE A 57 -1.923 0.394 6.928 1.00 72.14 H new ATOM 0 HG21 ILE A 57 -0.505 0.650 3.474 1.00 54.13 H new ATOM 0 HG22 ILE A 57 -1.084 2.308 3.188 1.00 54.13 H new ATOM 0 HG23 ILE A 57 0.240 2.014 4.341 1.00 54.13 H new ATOM 0 HD11 ILE A 57 -0.676 -1.625 6.330 1.00 74.44 H new ATOM 0 HD12 ILE A 57 -1.981 -1.327 5.156 1.00 74.44 H new ATOM 0 HD13 ILE A 57 -0.297 -0.934 4.734 1.00 74.44 H new ATOM 833 N LEU A 58 -3.855 3.515 4.309 1.00 71.24 N ATOM 834 CA LEU A 58 -4.579 4.367 3.351 1.00 11.12 C ATOM 835 C LEU A 58 -4.563 5.835 3.800 1.00 63.35 C ATOM 836 O LEU A 58 -4.487 6.752 2.981 1.00 65.44 O ATOM 837 CB LEU A 58 -6.031 3.888 3.202 1.00 52.12 C ATOM 838 CG LEU A 58 -6.206 2.433 2.738 1.00 15.21 C ATOM 839 CD1 LEU A 58 -7.688 2.067 2.640 1.00 4.21 C ATOM 840 CD2 LEU A 58 -5.496 2.202 1.407 1.00 74.21 C ATOM 0 H LEU A 58 -4.391 2.713 4.640 1.00 71.24 H new ATOM 0 HA LEU A 58 -4.075 4.292 2.388 1.00 11.12 H new ATOM 0 HB2 LEU A 58 -6.534 4.008 4.161 1.00 52.12 H new ATOM 0 HB3 LEU A 58 -6.539 4.541 2.492 1.00 52.12 H new ATOM 0 HG LEU A 58 -5.749 1.781 3.482 1.00 15.21 H new ATOM 0 HD11 LEU A 58 -7.786 1.033 2.310 1.00 4.21 H new ATOM 0 HD12 LEU A 58 -8.157 2.182 3.617 1.00 4.21 H new ATOM 0 HD13 LEU A 58 -8.179 2.725 1.923 1.00 4.21 H new ATOM 0 HD21 LEU A 58 -5.632 1.166 1.097 1.00 74.21 H new ATOM 0 HD22 LEU A 58 -5.916 2.865 0.651 1.00 74.21 H new ATOM 0 HD23 LEU A 58 -4.432 2.409 1.521 1.00 74.21 H new ATOM 852 N ARG A 59 -4.640 6.033 5.113 1.00 63.44 N ATOM 853 CA ARG A 59 -4.530 7.362 5.723 1.00 14.12 C ATOM 854 C ARG A 59 -3.278 8.112 5.233 1.00 21.21 C ATOM 855 O ARG A 59 -3.365 9.245 4.749 1.00 33.31 O ATOM 856 CB ARG A 59 -4.475 7.198 7.248 1.00 21.11 C ATOM 857 CG ARG A 59 -4.156 8.479 8.011 1.00 55.21 C ATOM 858 CD ARG A 59 -3.804 8.185 9.467 1.00 63.30 C ATOM 859 NE ARG A 59 -2.659 7.275 9.576 1.00 2.34 N ATOM 860 CZ ARG A 59 -1.821 7.259 10.580 1.00 65.35 C ATOM 861 NH1 ARG A 59 -1.990 8.048 11.594 1.00 70.54 N ATOM 862 NH2 ARG A 59 -0.830 6.431 10.577 1.00 72.23 N ATOM 0 H ARG A 59 -4.780 5.280 5.787 1.00 63.44 H new ATOM 0 HA ARG A 59 -5.399 7.952 5.432 1.00 14.12 H new ATOM 0 HB2 ARG A 59 -5.434 6.813 7.594 1.00 21.11 H new ATOM 0 HB3 ARG A 59 -3.724 6.447 7.493 1.00 21.11 H new ATOM 0 HG2 ARG A 59 -3.324 8.993 7.530 1.00 55.21 H new ATOM 0 HG3 ARG A 59 -5.013 9.152 7.971 1.00 55.21 H new ATOM 0 HD2 ARG A 59 -3.577 9.118 9.982 1.00 63.30 H new ATOM 0 HD3 ARG A 59 -4.667 7.746 9.968 1.00 63.30 H new ATOM 0 HE ARG A 59 -2.506 6.610 8.818 1.00 2.34 H new ATOM 0 HH11 ARG A 59 -2.783 8.690 11.614 1.00 70.54 H new ATOM 0 HH12 ARG A 59 -1.330 8.027 12.372 1.00 70.54 H new ATOM 0 HH21 ARG A 59 -0.702 5.791 9.793 1.00 72.23 H new ATOM 0 HH22 ARG A 59 -0.175 6.417 11.359 1.00 72.23 H new ATOM 876 N ASP A 60 -2.116 7.471 5.351 1.00 74.44 N ATOM 877 CA ASP A 60 -0.848 8.096 4.965 1.00 54.34 C ATOM 878 C ASP A 60 -0.735 8.207 3.432 1.00 62.51 C ATOM 879 O ASP A 60 -0.248 9.208 2.901 1.00 31.14 O ATOM 880 CB ASP A 60 0.326 7.289 5.542 1.00 43.22 C ATOM 881 CG ASP A 60 1.590 8.121 5.691 1.00 4.32 C ATOM 882 OD1 ASP A 60 2.297 8.339 4.687 1.00 51.20 O ATOM 883 OD2 ASP A 60 1.880 8.574 6.823 1.00 32.21 O ATOM 0 H ASP A 60 -2.025 6.521 5.710 1.00 74.44 H new ATOM 0 HA ASP A 60 -0.816 9.106 5.374 1.00 54.34 H new ATOM 0 HB2 ASP A 60 0.043 6.888 6.515 1.00 43.22 H new ATOM 0 HB3 ASP A 60 0.530 6.437 4.893 1.00 43.22 H new ATOM 888 N LEU A 61 -1.215 7.176 2.731 1.00 3.33 N ATOM 889 CA LEU A 61 -1.180 7.145 1.262 1.00 41.11 C ATOM 890 C LEU A 61 -1.922 8.344 0.642 1.00 4.04 C ATOM 891 O LEU A 61 -1.377 9.047 -0.212 1.00 60.41 O ATOM 892 CB LEU A 61 -1.787 5.835 0.743 1.00 13.53 C ATOM 893 CG LEU A 61 -1.058 4.551 1.171 1.00 62.03 C ATOM 894 CD1 LEU A 61 -1.760 3.318 0.606 1.00 52.44 C ATOM 895 CD2 LEU A 61 0.406 4.588 0.739 1.00 74.33 C ATOM 0 H LEU A 61 -1.634 6.349 3.156 1.00 3.33 H new ATOM 0 HA LEU A 61 -0.134 7.208 0.962 1.00 41.11 H new ATOM 0 HB2 LEU A 61 -2.821 5.775 1.082 1.00 13.53 H new ATOM 0 HB3 LEU A 61 -1.811 5.873 -0.346 1.00 13.53 H new ATOM 0 HG LEU A 61 -1.087 4.490 2.259 1.00 62.03 H new ATOM 0 HD11 LEU A 61 -1.228 2.420 0.921 1.00 52.44 H new ATOM 0 HD12 LEU A 61 -2.785 3.281 0.976 1.00 52.44 H new ATOM 0 HD13 LEU A 61 -1.769 3.371 -0.483 1.00 52.44 H new ATOM 0 HD21 LEU A 61 0.901 3.669 1.053 1.00 74.33 H new ATOM 0 HD22 LEU A 61 0.463 4.679 -0.346 1.00 74.33 H new ATOM 0 HD23 LEU A 61 0.900 5.443 1.201 1.00 74.33 H new ATOM 907 N ASN A 62 -3.164 8.578 1.068 1.00 75.24 N ATOM 908 CA ASN A 62 -3.940 9.723 0.571 1.00 54.04 C ATOM 909 C ASN A 62 -3.362 11.050 1.089 1.00 32.44 C ATOM 910 O ASN A 62 -3.434 12.079 0.411 1.00 53.13 O ATOM 911 CB ASN A 62 -5.421 9.597 0.959 1.00 44.32 C ATOM 912 CG ASN A 62 -6.113 8.447 0.242 1.00 60.01 C ATOM 913 OD1 ASN A 62 -6.582 8.589 -0.885 1.00 71.42 O ATOM 914 ND2 ASN A 62 -6.200 7.305 0.893 1.00 4.12 N ATOM 0 H ASN A 62 -3.654 7.998 1.749 1.00 75.24 H new ATOM 0 HA ASN A 62 -3.869 9.720 -0.517 1.00 54.04 H new ATOM 0 HB2 ASN A 62 -5.500 9.450 2.036 1.00 44.32 H new ATOM 0 HB3 ASN A 62 -5.935 10.529 0.726 1.00 44.32 H new ATOM 0 HD21 ASN A 62 -6.667 6.507 0.463 1.00 4.12 H new ATOM 0 HD22 ASN A 62 -5.800 7.219 1.828 1.00 4.12 H new ATOM 921 N ALA A 63 -2.773 11.020 2.283 1.00 12.34 N ATOM 922 CA ALA A 63 -2.114 12.200 2.851 1.00 41.32 C ATOM 923 C ALA A 63 -0.998 12.721 1.928 1.00 1.32 C ATOM 924 O ALA A 63 -0.740 13.925 1.875 1.00 42.24 O ATOM 925 CB ALA A 63 -1.559 11.881 4.232 1.00 44.51 C ATOM 0 H ALA A 63 -2.737 10.192 2.878 1.00 12.34 H new ATOM 0 HA ALA A 63 -2.861 12.988 2.944 1.00 41.32 H new ATOM 0 HB1 ALA A 63 -1.072 12.766 4.642 1.00 44.51 H new ATOM 0 HB2 ALA A 63 -2.373 11.577 4.890 1.00 44.51 H new ATOM 0 HB3 ALA A 63 -0.833 11.071 4.154 1.00 44.51 H new ATOM 931 N LEU A 64 -0.348 11.807 1.202 1.00 61.11 N ATOM 932 CA LEU A 64 0.674 12.176 0.206 1.00 41.54 C ATOM 933 C LEU A 64 0.101 13.128 -0.857 1.00 41.11 C ATOM 934 O LEU A 64 0.795 14.010 -1.363 1.00 53.03 O ATOM 935 CB LEU A 64 1.219 10.915 -0.487 1.00 70.43 C ATOM 936 CG LEU A 64 1.963 9.918 0.417 1.00 14.14 C ATOM 937 CD1 LEU A 64 2.271 8.631 -0.345 1.00 73.11 C ATOM 938 CD2 LEU A 64 3.249 10.536 0.967 1.00 73.24 C ATOM 0 H LEU A 64 -0.509 10.803 1.282 1.00 61.11 H new ATOM 0 HA LEU A 64 1.480 12.686 0.734 1.00 41.54 H new ATOM 0 HB2 LEU A 64 0.386 10.395 -0.959 1.00 70.43 H new ATOM 0 HB3 LEU A 64 1.894 11.226 -1.285 1.00 70.43 H new ATOM 0 HG LEU A 64 1.315 9.675 1.259 1.00 14.14 H new ATOM 0 HD11 LEU A 64 2.798 7.937 0.310 1.00 73.11 H new ATOM 0 HD12 LEU A 64 1.340 8.176 -0.682 1.00 73.11 H new ATOM 0 HD13 LEU A 64 2.896 8.860 -1.208 1.00 73.11 H new ATOM 0 HD21 LEU A 64 3.757 9.812 1.603 1.00 73.24 H new ATOM 0 HD22 LEU A 64 3.902 10.814 0.140 1.00 73.24 H new ATOM 0 HD23 LEU A 64 3.005 11.424 1.551 1.00 73.24 H new ATOM 950 N ALA A 65 -1.169 12.929 -1.199 1.00 2.11 N ATOM 951 CA ALA A 65 -1.841 13.750 -2.211 1.00 0.35 C ATOM 952 C ALA A 65 -2.384 15.059 -1.618 1.00 55.14 C ATOM 953 O ALA A 65 -2.383 16.103 -2.277 1.00 3.34 O ATOM 954 CB ALA A 65 -2.968 12.954 -2.853 1.00 31.01 C ATOM 0 H ALA A 65 -1.758 12.204 -0.790 1.00 2.11 H new ATOM 0 HA ALA A 65 -1.105 14.017 -2.969 1.00 0.35 H new ATOM 0 HB1 ALA A 65 -3.465 13.568 -3.604 1.00 31.01 H new ATOM 0 HB2 ALA A 65 -2.559 12.061 -3.326 1.00 31.01 H new ATOM 0 HB3 ALA A 65 -3.688 12.662 -2.089 1.00 31.01 H new