USER MOD reduce.3.24.130724 H: found=0, std=0, add=437, rem=0, adj=11 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 42 SER OG : rot 159:sc= -0.424 USER MOD Set 1.2: A 45 GLN : amide:sc= 0 K(o=-0.42,f=-0.98) USER MOD Set 2.1: A 10 THR OG1 : rot 180:sc= -1.69! USER MOD Set 2.2: A 13 GLN : amide:sc= -1.79 K(o=-3.5,f=-2) USER MOD Single : A 6 THR OG1 : rot 180:sc= -0.54 USER MOD Single : A 7 LYS NZ :NH3+ -159:sc= -0.2 (180deg=-0.408) USER MOD Single : A 9 MET CE :methyl -169:sc= -0.0359 (180deg=-0.244) USER MOD Single : A 16 GLN : amide:sc= -0.163 X(o=-0.16,f=-0.11) USER MOD Single : A 17 THR OG1 : rot 56:sc= 1.23 USER MOD Single : A 18 HIS : no HD1:sc= -1.81! K(o=-1.8!,f=-0.085) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -0.176 K(o=-0.18,f=-0.82) USER MOD Single : A 32 CYS SG : rot 180:sc= 0.00226 USER MOD Single : A 35 CYS SG : rot 180:sc= 0.00863 USER MOD Single : A 36 MET CE :methyl -162:sc= -0.0858 (180deg=-0.489) USER MOD Single : A 39 GLN : amide:sc= -1.12 K(o=-1.1,f=-3.1!) USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 48 ASN : amide:sc= 0.894 K(o=0.89,f=0) USER MOD Single : A 50 HIS : no HD1:sc= -1.3 K(o=-1.3,f=-0.15) USER MOD Single : A 53 ASN : amide:sc= -1.6! K(o=-1.6!,f=-2.6) USER MOD Single : A 62 ASN : amide:sc= 1.14 K(o=1.1,f=0.49) USER MOD ----------------------------------------------------------------- ATOM 73 N PHE A 5 -6.462 6.670 -2.705 1.00 21.33 N ATOM 74 CA PHE A 5 -6.001 5.308 -2.418 1.00 2.41 C ATOM 75 C PHE A 5 -7.059 4.515 -1.635 1.00 12.01 C ATOM 76 O PHE A 5 -7.481 4.923 -0.548 1.00 11.31 O ATOM 77 CB PHE A 5 -4.686 5.357 -1.631 1.00 50.22 C ATOM 78 CG PHE A 5 -3.583 6.084 -2.361 1.00 44.40 C ATOM 79 CD1 PHE A 5 -2.742 5.402 -3.230 1.00 75.44 C ATOM 80 CD2 PHE A 5 -3.387 7.448 -2.180 1.00 43.53 C ATOM 81 CE1 PHE A 5 -1.738 6.066 -3.907 1.00 42.24 C ATOM 82 CE2 PHE A 5 -2.383 8.115 -2.855 1.00 43.22 C ATOM 83 CZ PHE A 5 -1.555 7.422 -3.717 1.00 73.42 C ATOM 0 HA PHE A 5 -5.834 4.798 -3.367 1.00 2.41 H new ATOM 0 HB2 PHE A 5 -4.862 5.845 -0.672 1.00 50.22 H new ATOM 0 HB3 PHE A 5 -4.361 4.339 -1.415 1.00 50.22 H new ATOM 0 HD1 PHE A 5 -2.874 4.340 -3.378 1.00 75.44 H new ATOM 0 HD2 PHE A 5 -4.028 7.993 -1.503 1.00 43.53 H new ATOM 0 HE1 PHE A 5 -1.095 5.525 -4.586 1.00 42.24 H new ATOM 0 HE2 PHE A 5 -2.246 9.176 -2.709 1.00 43.22 H new ATOM 0 HZ PHE A 5 -0.766 7.940 -4.242 1.00 73.42 H new ATOM 93 N THR A 6 -7.477 3.380 -2.193 1.00 61.15 N ATOM 94 CA THR A 6 -8.487 2.514 -1.562 1.00 23.21 C ATOM 95 C THR A 6 -7.891 1.175 -1.105 1.00 14.40 C ATOM 96 O THR A 6 -6.761 0.834 -1.439 1.00 12.31 O ATOM 97 CB THR A 6 -9.677 2.226 -2.511 1.00 54.24 C ATOM 98 OG1 THR A 6 -10.545 1.239 -1.932 1.00 63.42 O ATOM 99 CG2 THR A 6 -9.199 1.742 -3.876 1.00 55.33 C ATOM 0 H THR A 6 -7.132 3.032 -3.088 1.00 61.15 H new ATOM 0 HA THR A 6 -8.845 3.064 -0.692 1.00 23.21 H new ATOM 0 HB THR A 6 -10.222 3.160 -2.649 1.00 54.24 H new ATOM 0 HG1 THR A 6 -11.294 1.066 -2.539 1.00 63.42 H new ATOM 0 HG21 THR A 6 -10.060 1.550 -4.516 1.00 55.33 H new ATOM 0 HG22 THR A 6 -8.571 2.506 -4.333 1.00 55.33 H new ATOM 0 HG23 THR A 6 -8.624 0.824 -3.756 1.00 55.33 H new ATOM 107 N LYS A 7 -8.675 0.409 -0.356 1.00 45.42 N ATOM 108 CA LYS A 7 -8.226 -0.882 0.178 1.00 72.43 C ATOM 109 C LYS A 7 -8.384 -2.013 -0.852 1.00 3.14 C ATOM 110 O LYS A 7 -7.875 -3.120 -0.658 1.00 71.32 O ATOM 111 CB LYS A 7 -9.016 -1.216 1.449 1.00 30.14 C ATOM 112 CG LYS A 7 -10.525 -1.333 1.228 1.00 50.34 C ATOM 113 CD LYS A 7 -11.282 -1.500 2.545 1.00 5.20 C ATOM 114 CE LYS A 7 -11.035 -0.326 3.482 1.00 14.22 C ATOM 115 NZ LYS A 7 -11.793 -0.448 4.755 1.00 64.34 N ATOM 0 H LYS A 7 -9.631 0.657 -0.101 1.00 45.42 H new ATOM 0 HA LYS A 7 -7.165 -0.798 0.413 1.00 72.43 H new ATOM 0 HB2 LYS A 7 -8.645 -2.155 1.859 1.00 30.14 H new ATOM 0 HB3 LYS A 7 -8.827 -0.445 2.196 1.00 30.14 H new ATOM 0 HG2 LYS A 7 -10.886 -0.444 0.712 1.00 50.34 H new ATOM 0 HG3 LYS A 7 -10.732 -2.184 0.580 1.00 50.34 H new ATOM 0 HD2 LYS A 7 -12.350 -1.588 2.344 1.00 5.20 H new ATOM 0 HD3 LYS A 7 -10.972 -2.426 3.030 1.00 5.20 H new ATOM 0 HE2 LYS A 7 -9.970 -0.258 3.702 1.00 14.22 H new ATOM 0 HE3 LYS A 7 -11.317 0.600 2.982 1.00 14.22 H new ATOM 0 HZ1 LYS A 7 -11.887 0.490 5.194 1.00 64.34 H new ATOM 0 HZ2 LYS A 7 -12.738 -0.836 4.560 1.00 64.34 H new ATOM 0 HZ3 LYS A 7 -11.285 -1.084 5.402 1.00 64.34 H new ATOM 129 N ASP A 8 -9.100 -1.731 -1.938 1.00 34.55 N ATOM 130 CA ASP A 8 -9.363 -2.729 -2.985 1.00 41.10 C ATOM 131 C ASP A 8 -8.295 -2.695 -4.099 1.00 0.35 C ATOM 132 O ASP A 8 -8.053 -3.699 -4.774 1.00 20.44 O ATOM 133 CB ASP A 8 -10.761 -2.487 -3.570 1.00 45.13 C ATOM 134 CG ASP A 8 -11.126 -3.482 -4.657 1.00 74.14 C ATOM 135 OD1 ASP A 8 -11.467 -4.636 -4.327 1.00 42.40 O ATOM 136 OD2 ASP A 8 -11.068 -3.113 -5.850 1.00 50.41 O ATOM 0 H ASP A 8 -9.512 -0.816 -2.121 1.00 34.55 H new ATOM 0 HA ASP A 8 -9.317 -3.720 -2.534 1.00 41.10 H new ATOM 0 HB2 ASP A 8 -11.499 -2.543 -2.770 1.00 45.13 H new ATOM 0 HB3 ASP A 8 -10.809 -1.477 -3.977 1.00 45.13 H new ATOM 141 N MET A 9 -7.653 -1.542 -4.281 1.00 62.43 N ATOM 142 CA MET A 9 -6.632 -1.379 -5.328 1.00 22.10 C ATOM 143 C MET A 9 -5.358 -2.175 -5.000 1.00 52.42 C ATOM 144 O MET A 9 -5.024 -2.381 -3.831 1.00 3.44 O ATOM 145 CB MET A 9 -6.294 0.107 -5.516 1.00 71.32 C ATOM 146 CG MET A 9 -5.630 0.754 -4.306 1.00 52.51 C ATOM 147 SD MET A 9 -5.536 2.554 -4.433 1.00 41.52 S ATOM 148 CE MET A 9 -4.564 2.754 -5.925 1.00 22.54 C ATOM 0 H MET A 9 -7.818 -0.706 -3.721 1.00 62.43 H new ATOM 0 HA MET A 9 -7.043 -1.772 -6.258 1.00 22.10 H new ATOM 0 HB2 MET A 9 -5.635 0.212 -6.378 1.00 71.32 H new ATOM 0 HB3 MET A 9 -7.210 0.650 -5.747 1.00 71.32 H new ATOM 0 HG2 MET A 9 -6.186 0.487 -3.407 1.00 52.51 H new ATOM 0 HG3 MET A 9 -4.624 0.350 -4.191 1.00 52.51 H new ATOM 0 HE1 MET A 9 -4.259 3.796 -6.024 1.00 22.54 H new ATOM 0 HE2 MET A 9 -3.679 2.121 -5.870 1.00 22.54 H new ATOM 0 HE3 MET A 9 -5.162 2.467 -6.790 1.00 22.54 H new ATOM 158 N THR A 10 -4.651 -2.616 -6.038 1.00 21.24 N ATOM 159 CA THR A 10 -3.429 -3.416 -5.864 1.00 64.23 C ATOM 160 C THR A 10 -2.228 -2.548 -5.478 1.00 71.52 C ATOM 161 O THR A 10 -2.222 -1.333 -5.710 1.00 52.21 O ATOM 162 CB THR A 10 -3.066 -4.192 -7.153 1.00 61.42 C ATOM 163 OG1 THR A 10 -2.695 -3.276 -8.195 1.00 52.12 O ATOM 164 CG2 THR A 10 -4.236 -5.050 -7.624 1.00 44.50 C ATOM 0 H THR A 10 -4.899 -2.436 -7.011 1.00 21.24 H new ATOM 0 HA THR A 10 -3.646 -4.118 -5.059 1.00 64.23 H new ATOM 0 HB THR A 10 -2.224 -4.845 -6.925 1.00 61.42 H new ATOM 0 HG1 THR A 10 -2.466 -3.778 -9.005 1.00 52.12 H new ATOM 0 HG21 THR A 10 -3.953 -5.584 -8.531 1.00 44.50 H new ATOM 0 HG22 THR A 10 -4.497 -5.768 -6.846 1.00 44.50 H new ATOM 0 HG23 THR A 10 -5.095 -4.412 -7.831 1.00 44.50 H new ATOM 172 N PHE A 11 -1.207 -3.178 -4.888 1.00 11.25 N ATOM 173 CA PHE A 11 0.047 -2.483 -4.569 1.00 2.55 C ATOM 174 C PHE A 11 0.652 -1.838 -5.823 1.00 61.13 C ATOM 175 O PHE A 11 1.159 -0.715 -5.774 1.00 72.15 O ATOM 176 CB PHE A 11 1.061 -3.450 -3.934 1.00 41.22 C ATOM 177 CG PHE A 11 0.683 -3.915 -2.546 1.00 3.31 C ATOM 178 CD1 PHE A 11 0.976 -3.135 -1.433 1.00 15.33 C ATOM 179 CD2 PHE A 11 0.042 -5.130 -2.351 1.00 43.43 C ATOM 180 CE1 PHE A 11 0.638 -3.559 -0.160 1.00 12.11 C ATOM 181 CE2 PHE A 11 -0.297 -5.557 -1.081 1.00 44.51 C ATOM 182 CZ PHE A 11 0.001 -4.770 0.016 1.00 1.14 C ATOM 0 H PHE A 11 -1.222 -4.163 -4.622 1.00 11.25 H new ATOM 0 HA PHE A 11 -0.184 -1.696 -3.851 1.00 2.55 H new ATOM 0 HB2 PHE A 11 1.171 -4.321 -4.580 1.00 41.22 H new ATOM 0 HB3 PHE A 11 2.034 -2.962 -3.890 1.00 41.22 H new ATOM 0 HD1 PHE A 11 1.474 -2.186 -1.564 1.00 15.33 H new ATOM 0 HD2 PHE A 11 -0.195 -5.750 -3.203 1.00 43.43 H new ATOM 0 HE1 PHE A 11 0.873 -2.942 0.695 1.00 12.11 H new ATOM 0 HE2 PHE A 11 -0.795 -6.506 -0.945 1.00 44.51 H new ATOM 0 HZ PHE A 11 -0.264 -5.103 1.009 1.00 1.14 H new ATOM 192 N ALA A 12 0.582 -2.557 -6.945 1.00 31.11 N ATOM 193 CA ALA A 12 1.079 -2.051 -8.228 1.00 41.23 C ATOM 194 C ALA A 12 0.451 -0.695 -8.587 1.00 24.24 C ATOM 195 O ALA A 12 1.152 0.249 -8.955 1.00 33.44 O ATOM 196 CB ALA A 12 0.808 -3.069 -9.330 1.00 62.01 C ATOM 0 H ALA A 12 0.185 -3.495 -6.992 1.00 31.11 H new ATOM 0 HA ALA A 12 2.154 -1.899 -8.134 1.00 41.23 H new ATOM 0 HB1 ALA A 12 1.180 -2.685 -10.280 1.00 62.01 H new ATOM 0 HB2 ALA A 12 1.314 -4.005 -9.093 1.00 62.01 H new ATOM 0 HB3 ALA A 12 -0.265 -3.246 -9.406 1.00 62.01 H new ATOM 202 N GLN A 13 -0.875 -0.604 -8.467 1.00 34.11 N ATOM 203 CA GLN A 13 -1.594 0.645 -8.744 1.00 65.53 C ATOM 204 C GLN A 13 -1.077 1.790 -7.860 1.00 13.14 C ATOM 205 O GLN A 13 -0.682 2.847 -8.357 1.00 52.23 O ATOM 206 CB GLN A 13 -3.099 0.461 -8.504 1.00 52.03 C ATOM 207 CG GLN A 13 -3.753 -0.583 -9.404 1.00 11.11 C ATOM 208 CD GLN A 13 -5.241 -0.767 -9.130 1.00 40.22 C ATOM 209 OE1 GLN A 13 -5.781 -1.858 -9.278 1.00 31.51 O ATOM 210 NE2 GLN A 13 -5.922 0.298 -8.755 1.00 44.43 N ATOM 0 H GLN A 13 -1.474 -1.378 -8.180 1.00 34.11 H new ATOM 0 HA GLN A 13 -1.419 0.901 -9.789 1.00 65.53 H new ATOM 0 HB2 GLN A 13 -3.258 0.178 -7.463 1.00 52.03 H new ATOM 0 HB3 GLN A 13 -3.599 1.418 -8.654 1.00 52.03 H new ATOM 0 HG2 GLN A 13 -3.616 -0.292 -10.445 1.00 11.11 H new ATOM 0 HG3 GLN A 13 -3.245 -1.538 -9.270 1.00 11.11 H new ATOM 0 HE21 GLN A 13 -5.446 1.193 -8.640 1.00 44.43 H new ATOM 0 HE22 GLN A 13 -6.924 0.227 -8.580 1.00 44.43 H new ATOM 219 N ALA A 14 -1.075 1.562 -6.546 1.00 64.32 N ATOM 220 CA ALA A 14 -0.647 2.576 -5.576 1.00 12.41 C ATOM 221 C ALA A 14 0.767 3.103 -5.878 1.00 14.11 C ATOM 222 O ALA A 14 0.989 4.315 -5.936 1.00 52.55 O ATOM 223 CB ALA A 14 -0.712 2.008 -4.162 1.00 71.44 C ATOM 0 H ALA A 14 -1.366 0.680 -6.125 1.00 64.32 H new ATOM 0 HA ALA A 14 -1.331 3.420 -5.658 1.00 12.41 H new ATOM 0 HB1 ALA A 14 -0.392 2.768 -3.449 1.00 71.44 H new ATOM 0 HB2 ALA A 14 -1.735 1.707 -3.937 1.00 71.44 H new ATOM 0 HB3 ALA A 14 -0.055 1.142 -4.087 1.00 71.44 H new ATOM 229 N LEU A 15 1.709 2.184 -6.090 1.00 72.25 N ATOM 230 CA LEU A 15 3.104 2.544 -6.388 1.00 24.43 C ATOM 231 C LEU A 15 3.226 3.398 -7.663 1.00 62.02 C ATOM 232 O LEU A 15 4.133 4.226 -7.781 1.00 43.53 O ATOM 233 CB LEU A 15 3.957 1.274 -6.535 1.00 63.32 C ATOM 234 CG LEU A 15 4.105 0.430 -5.256 1.00 3.22 C ATOM 235 CD1 LEU A 15 4.900 -0.844 -5.534 1.00 24.13 C ATOM 236 CD2 LEU A 15 4.761 1.250 -4.147 1.00 52.21 C ATOM 0 H LEU A 15 1.535 1.179 -6.062 1.00 72.25 H new ATOM 0 HA LEU A 15 3.468 3.142 -5.552 1.00 24.43 H new ATOM 0 HB2 LEU A 15 3.519 0.650 -7.314 1.00 63.32 H new ATOM 0 HB3 LEU A 15 4.951 1.561 -6.878 1.00 63.32 H new ATOM 0 HG LEU A 15 3.110 0.137 -4.922 1.00 3.22 H new ATOM 0 HD11 LEU A 15 4.991 -1.424 -4.615 1.00 24.13 H new ATOM 0 HD12 LEU A 15 4.384 -1.438 -6.288 1.00 24.13 H new ATOM 0 HD13 LEU A 15 5.893 -0.581 -5.897 1.00 24.13 H new ATOM 0 HD21 LEU A 15 4.858 0.638 -3.250 1.00 52.21 H new ATOM 0 HD22 LEU A 15 5.749 1.577 -4.472 1.00 52.21 H new ATOM 0 HD23 LEU A 15 4.145 2.122 -3.926 1.00 52.21 H new ATOM 248 N GLN A 16 2.322 3.184 -8.617 1.00 50.32 N ATOM 249 CA GLN A 16 2.324 3.944 -9.873 1.00 31.35 C ATOM 250 C GLN A 16 1.516 5.247 -9.757 1.00 53.31 C ATOM 251 O GLN A 16 1.707 6.174 -10.545 1.00 72.44 O ATOM 252 CB GLN A 16 1.774 3.081 -11.017 1.00 34.54 C ATOM 253 CG GLN A 16 2.608 1.835 -11.305 1.00 40.15 C ATOM 254 CD GLN A 16 4.049 2.161 -11.667 1.00 65.24 C ATOM 255 OE1 GLN A 16 4.377 2.377 -12.829 1.00 2.42 O ATOM 256 NE2 GLN A 16 4.926 2.191 -10.682 1.00 14.42 N ATOM 0 H GLN A 16 1.577 2.491 -8.547 1.00 50.32 H new ATOM 0 HA GLN A 16 3.357 4.215 -10.090 1.00 31.35 H new ATOM 0 HB2 GLN A 16 0.756 2.777 -10.773 1.00 34.54 H new ATOM 0 HB3 GLN A 16 1.718 3.686 -11.922 1.00 34.54 H new ATOM 0 HG2 GLN A 16 2.596 1.185 -10.430 1.00 40.15 H new ATOM 0 HG3 GLN A 16 2.150 1.278 -12.122 1.00 40.15 H new ATOM 0 HE21 GLN A 16 4.625 2.007 -9.725 1.00 14.42 H new ATOM 0 HE22 GLN A 16 5.906 2.398 -10.877 1.00 14.42 H new ATOM 265 N THR A 17 0.622 5.318 -8.771 1.00 12.30 N ATOM 266 CA THR A 17 -0.198 6.522 -8.551 1.00 50.43 C ATOM 267 C THR A 17 0.655 7.668 -7.977 1.00 73.54 C ATOM 268 O THR A 17 0.763 8.742 -8.572 1.00 64.44 O ATOM 269 CB THR A 17 -1.390 6.229 -7.598 1.00 73.13 C ATOM 270 OG1 THR A 17 -2.158 5.122 -8.096 1.00 30.51 O ATOM 271 CG2 THR A 17 -2.307 7.442 -7.444 1.00 40.34 C ATOM 0 H THR A 17 0.443 4.561 -8.111 1.00 12.30 H new ATOM 0 HA THR A 17 -0.596 6.825 -9.520 1.00 50.43 H new ATOM 0 HB THR A 17 -0.972 5.988 -6.621 1.00 73.13 H new ATOM 0 HG1 THR A 17 -1.572 4.346 -8.218 1.00 30.51 H new ATOM 0 HG21 THR A 17 -3.127 7.195 -6.770 1.00 40.34 H new ATOM 0 HG22 THR A 17 -1.739 8.277 -7.034 1.00 40.34 H new ATOM 0 HG23 THR A 17 -2.709 7.720 -8.418 1.00 40.34 H new ATOM 279 N HIS A 18 1.266 7.434 -6.815 1.00 33.51 N ATOM 280 CA HIS A 18 2.193 8.403 -6.207 1.00 22.35 C ATOM 281 C HIS A 18 3.510 7.718 -5.801 1.00 32.52 C ATOM 282 O HIS A 18 3.498 6.757 -5.035 1.00 3.45 O ATOM 283 CB HIS A 18 1.556 9.086 -4.981 1.00 30.33 C ATOM 284 CG HIS A 18 0.655 10.245 -5.312 1.00 2.13 C ATOM 285 ND1 HIS A 18 0.719 11.460 -4.658 1.00 4.14 N ATOM 286 CD2 HIS A 18 -0.343 10.369 -6.218 1.00 1.33 C ATOM 287 CE1 HIS A 18 -0.199 12.271 -5.147 1.00 62.22 C ATOM 288 NE2 HIS A 18 -0.852 11.634 -6.092 1.00 44.34 N ATOM 0 H HIS A 18 1.138 6.581 -6.271 1.00 33.51 H new ATOM 0 HA HIS A 18 2.409 9.166 -6.954 1.00 22.35 H new ATOM 0 HB2 HIS A 18 0.984 8.344 -4.424 1.00 30.33 H new ATOM 0 HB3 HIS A 18 2.350 9.436 -4.322 1.00 30.33 H new ATOM 0 HD2 HIS A 18 -0.676 9.611 -6.911 1.00 1.33 H new ATOM 0 HE1 HIS A 18 -0.382 13.286 -4.825 1.00 62.22 H new ATOM 0 HE2 HIS A 18 -1.617 12.020 -6.645 1.00 44.34 H new ATOM 297 N PRO A 19 4.665 8.212 -6.301 1.00 54.50 N ATOM 298 CA PRO A 19 5.989 7.623 -6.001 1.00 22.35 C ATOM 299 C PRO A 19 6.266 7.485 -4.493 1.00 32.41 C ATOM 300 O PRO A 19 6.973 6.569 -4.063 1.00 31.02 O ATOM 301 CB PRO A 19 6.975 8.613 -6.641 1.00 12.12 C ATOM 302 CG PRO A 19 6.192 9.288 -7.716 1.00 61.22 C ATOM 303 CD PRO A 19 4.778 9.377 -7.205 1.00 41.11 C ATOM 0 HA PRO A 19 6.067 6.606 -6.386 1.00 22.35 H new ATOM 0 HB2 PRO A 19 7.345 9.332 -5.910 1.00 12.12 H new ATOM 0 HB3 PRO A 19 7.845 8.098 -7.049 1.00 12.12 H new ATOM 0 HG2 PRO A 19 6.594 10.279 -7.928 1.00 61.22 H new ATOM 0 HG3 PRO A 19 6.236 8.721 -8.646 1.00 61.22 H new ATOM 0 HD2 PRO A 19 4.600 10.314 -6.677 1.00 41.11 H new ATOM 0 HD3 PRO A 19 4.053 9.327 -8.018 1.00 41.11 H new ATOM 311 N GLY A 20 5.698 8.393 -3.696 1.00 5.21 N ATOM 312 CA GLY A 20 5.895 8.371 -2.247 1.00 3.13 C ATOM 313 C GLY A 20 5.340 7.118 -1.567 1.00 42.32 C ATOM 314 O GLY A 20 5.798 6.738 -0.485 1.00 12.11 O ATOM 0 H GLY A 20 5.100 9.149 -4.029 1.00 5.21 H new ATOM 0 HA2 GLY A 20 6.961 8.447 -2.034 1.00 3.13 H new ATOM 0 HA3 GLY A 20 5.420 9.250 -1.812 1.00 3.13 H new ATOM 318 N VAL A 21 4.359 6.472 -2.202 1.00 71.01 N ATOM 319 CA VAL A 21 3.748 5.250 -1.656 1.00 72.23 C ATOM 320 C VAL A 21 4.808 4.187 -1.319 1.00 73.24 C ATOM 321 O VAL A 21 4.684 3.467 -0.328 1.00 54.31 O ATOM 322 CB VAL A 21 2.708 4.651 -2.639 1.00 12.12 C ATOM 323 CG1 VAL A 21 2.140 3.332 -2.112 1.00 31.34 C ATOM 324 CG2 VAL A 21 1.582 5.650 -2.906 1.00 31.12 C ATOM 0 H VAL A 21 3.968 6.772 -3.095 1.00 71.01 H new ATOM 0 HA VAL A 21 3.240 5.539 -0.736 1.00 72.23 H new ATOM 0 HB VAL A 21 3.220 4.444 -3.579 1.00 12.12 H new ATOM 0 HG11 VAL A 21 1.414 2.938 -2.824 1.00 31.34 H new ATOM 0 HG12 VAL A 21 2.949 2.613 -1.983 1.00 31.34 H new ATOM 0 HG13 VAL A 21 1.651 3.504 -1.153 1.00 31.34 H new ATOM 0 HG21 VAL A 21 0.863 5.211 -3.598 1.00 31.12 H new ATOM 0 HG22 VAL A 21 1.082 5.894 -1.969 1.00 31.12 H new ATOM 0 HG23 VAL A 21 1.997 6.558 -3.342 1.00 31.12 H new ATOM 334 N ALA A 22 5.857 4.108 -2.139 1.00 23.42 N ATOM 335 CA ALA A 22 6.956 3.170 -1.895 1.00 33.11 C ATOM 336 C ALA A 22 7.598 3.411 -0.519 1.00 14.11 C ATOM 337 O ALA A 22 7.818 2.473 0.249 1.00 24.12 O ATOM 338 CB ALA A 22 7.999 3.282 -2.998 1.00 42.44 C ATOM 0 H ALA A 22 5.970 4.680 -2.976 1.00 23.42 H new ATOM 0 HA ALA A 22 6.547 2.160 -1.899 1.00 33.11 H new ATOM 0 HB1 ALA A 22 8.810 2.580 -2.805 1.00 42.44 H new ATOM 0 HB2 ALA A 22 7.539 3.050 -3.959 1.00 42.44 H new ATOM 0 HB3 ALA A 22 8.396 4.297 -3.022 1.00 42.44 H new ATOM 344 N GLY A 23 7.880 4.678 -0.210 1.00 22.35 N ATOM 345 CA GLY A 23 8.445 5.031 1.089 1.00 2.24 C ATOM 346 C GLY A 23 7.511 4.684 2.245 1.00 54.31 C ATOM 347 O GLY A 23 7.937 4.111 3.253 1.00 64.15 O ATOM 0 H GLY A 23 7.727 5.468 -0.836 1.00 22.35 H new ATOM 0 HA2 GLY A 23 9.393 4.510 1.223 1.00 2.24 H new ATOM 0 HA3 GLY A 23 8.662 6.099 1.109 1.00 2.24 H new ATOM 351 N VAL A 24 6.229 5.016 2.089 1.00 52.20 N ATOM 352 CA VAL A 24 5.211 4.697 3.098 1.00 24.53 C ATOM 353 C VAL A 24 5.154 3.185 3.380 1.00 4.42 C ATOM 354 O VAL A 24 5.255 2.748 4.528 1.00 64.24 O ATOM 355 CB VAL A 24 3.809 5.182 2.653 1.00 32.22 C ATOM 356 CG1 VAL A 24 2.761 4.876 3.721 1.00 72.53 C ATOM 357 CG2 VAL A 24 3.830 6.674 2.323 1.00 54.54 C ATOM 0 H VAL A 24 5.867 5.507 1.272 1.00 52.20 H new ATOM 0 HA VAL A 24 5.498 5.219 4.011 1.00 24.53 H new ATOM 0 HB VAL A 24 3.536 4.639 1.748 1.00 32.22 H new ATOM 0 HG11 VAL A 24 1.785 5.226 3.384 1.00 72.53 H new ATOM 0 HG12 VAL A 24 2.721 3.800 3.893 1.00 72.53 H new ATOM 0 HG13 VAL A 24 3.028 5.382 4.649 1.00 72.53 H new ATOM 0 HG21 VAL A 24 2.835 6.992 2.013 1.00 54.54 H new ATOM 0 HG22 VAL A 24 4.133 7.238 3.206 1.00 54.54 H new ATOM 0 HG23 VAL A 24 4.538 6.858 1.515 1.00 54.54 H new ATOM 367 N LEU A 25 5.007 2.387 2.323 1.00 20.32 N ATOM 368 CA LEU A 25 4.946 0.926 2.457 1.00 1.40 C ATOM 369 C LEU A 25 6.190 0.365 3.168 1.00 24.33 C ATOM 370 O LEU A 25 6.078 -0.473 4.062 1.00 64.21 O ATOM 371 CB LEU A 25 4.781 0.265 1.082 1.00 32.10 C ATOM 372 CG LEU A 25 3.477 0.610 0.337 1.00 53.22 C ATOM 373 CD1 LEU A 25 3.413 -0.116 -1.003 1.00 4.24 C ATOM 374 CD2 LEU A 25 2.256 0.275 1.194 1.00 72.31 C ATOM 0 H LEU A 25 4.928 2.724 1.364 1.00 20.32 H new ATOM 0 HA LEU A 25 4.077 0.692 3.072 1.00 1.40 H new ATOM 0 HB2 LEU A 25 5.625 0.553 0.455 1.00 32.10 H new ATOM 0 HB3 LEU A 25 4.832 -0.816 1.209 1.00 32.10 H new ATOM 0 HG LEU A 25 3.470 1.683 0.144 1.00 53.22 H new ATOM 0 HD11 LEU A 25 2.484 0.142 -1.512 1.00 4.24 H new ATOM 0 HD12 LEU A 25 4.260 0.183 -1.620 1.00 4.24 H new ATOM 0 HD13 LEU A 25 3.448 -1.192 -0.836 1.00 4.24 H new ATOM 0 HD21 LEU A 25 1.347 0.527 0.647 1.00 72.31 H new ATOM 0 HD22 LEU A 25 2.256 -0.790 1.427 1.00 72.31 H new ATOM 0 HD23 LEU A 25 2.293 0.849 2.120 1.00 72.31 H new ATOM 386 N ARG A 26 7.377 0.837 2.780 1.00 13.44 N ATOM 387 CA ARG A 26 8.623 0.395 3.425 1.00 20.25 C ATOM 388 C ARG A 26 8.654 0.794 4.914 1.00 13.43 C ATOM 389 O ARG A 26 9.241 0.097 5.741 1.00 41.13 O ATOM 390 CB ARG A 26 9.852 0.972 2.704 1.00 31.43 C ATOM 391 CG ARG A 26 9.952 0.574 1.233 1.00 43.25 C ATOM 392 CD ARG A 26 11.243 1.080 0.591 1.00 64.21 C ATOM 393 NE ARG A 26 12.414 0.329 1.045 1.00 1.13 N ATOM 394 CZ ARG A 26 13.443 0.852 1.660 1.00 32.43 C ATOM 395 NH1 ARG A 26 13.461 2.111 1.975 1.00 12.54 N ATOM 396 NH2 ARG A 26 14.453 0.107 1.971 1.00 41.11 N ATOM 0 H ARG A 26 7.505 1.518 2.031 1.00 13.44 H new ATOM 0 HA ARG A 26 8.655 -0.692 3.357 1.00 20.25 H new ATOM 0 HB2 ARG A 26 9.825 2.059 2.775 1.00 31.43 H new ATOM 0 HB3 ARG A 26 10.753 0.641 3.221 1.00 31.43 H new ATOM 0 HG2 ARG A 26 9.905 -0.512 1.147 1.00 43.25 H new ATOM 0 HG3 ARG A 26 9.096 0.974 0.690 1.00 43.25 H new ATOM 0 HD2 ARG A 26 11.162 1.004 -0.493 1.00 64.21 H new ATOM 0 HD3 ARG A 26 11.376 2.136 0.828 1.00 64.21 H new ATOM 0 HE ARG A 26 12.429 -0.676 0.869 1.00 1.13 H new ATOM 0 HH11 ARG A 26 12.666 2.706 1.743 1.00 12.54 H new ATOM 0 HH12 ARG A 26 14.270 2.505 2.455 1.00 12.54 H new ATOM 0 HH21 ARG A 26 14.446 -0.886 1.737 1.00 41.11 H new ATOM 0 HH22 ARG A 26 15.257 0.512 2.451 1.00 41.11 H new ATOM 410 N SER A 27 8.013 1.914 5.249 1.00 42.41 N ATOM 411 CA SER A 27 7.930 2.380 6.646 1.00 41.21 C ATOM 412 C SER A 27 7.030 1.464 7.493 1.00 51.44 C ATOM 413 O SER A 27 7.364 1.125 8.629 1.00 63.22 O ATOM 414 CB SER A 27 7.402 3.820 6.709 1.00 63.41 C ATOM 415 OG SER A 27 7.321 4.278 8.048 1.00 24.22 O ATOM 0 H SER A 27 7.542 2.520 4.577 1.00 42.41 H new ATOM 0 HA SER A 27 8.939 2.349 7.057 1.00 41.21 H new ATOM 0 HB2 SER A 27 8.058 4.476 6.137 1.00 63.41 H new ATOM 0 HB3 SER A 27 6.417 3.870 6.245 1.00 63.41 H new ATOM 0 HG SER A 27 6.983 5.198 8.059 1.00 24.22 H new ATOM 421 N TYR A 28 5.893 1.060 6.927 1.00 52.11 N ATOM 422 CA TYR A 28 4.942 0.173 7.620 1.00 74.41 C ATOM 423 C TYR A 28 5.341 -1.310 7.504 1.00 21.14 C ATOM 424 O TYR A 28 4.655 -2.187 8.031 1.00 62.25 O ATOM 425 CB TYR A 28 3.526 0.381 7.058 1.00 23.04 C ATOM 426 CG TYR A 28 2.897 1.707 7.454 1.00 23.03 C ATOM 427 CD1 TYR A 28 3.425 2.917 7.008 1.00 74.31 C ATOM 428 CD2 TYR A 28 1.777 1.750 8.276 1.00 74.11 C ATOM 429 CE1 TYR A 28 2.856 4.123 7.374 1.00 30.11 C ATOM 430 CE2 TYR A 28 1.205 2.951 8.643 1.00 62.52 C ATOM 431 CZ TYR A 28 1.745 4.134 8.188 1.00 51.32 C ATOM 432 OH TYR A 28 1.177 5.332 8.562 1.00 62.23 O ATOM 0 H TYR A 28 5.602 1.331 5.988 1.00 52.11 H new ATOM 0 HA TYR A 28 4.961 0.435 8.678 1.00 74.41 H new ATOM 0 HB2 TYR A 28 3.564 0.318 5.970 1.00 23.04 H new ATOM 0 HB3 TYR A 28 2.886 -0.431 7.402 1.00 23.04 H new ATOM 0 HD1 TYR A 28 4.293 2.913 6.366 1.00 74.31 H new ATOM 0 HD2 TYR A 28 1.347 0.826 8.634 1.00 74.11 H new ATOM 0 HE1 TYR A 28 3.281 5.052 7.023 1.00 30.11 H new ATOM 0 HE2 TYR A 28 0.337 2.964 9.285 1.00 62.52 H new ATOM 0 HH TYR A 28 0.401 5.161 9.136 1.00 62.23 H new ATOM 442 N ASN A 29 6.460 -1.572 6.829 1.00 32.43 N ATOM 443 CA ASN A 29 6.958 -2.937 6.599 1.00 50.24 C ATOM 444 C ASN A 29 6.059 -3.710 5.611 1.00 54.34 C ATOM 445 O ASN A 29 5.447 -4.727 5.951 1.00 31.11 O ATOM 446 CB ASN A 29 7.122 -3.700 7.928 1.00 12.14 C ATOM 447 CG ASN A 29 7.713 -5.089 7.744 1.00 1.31 C ATOM 448 OD1 ASN A 29 8.457 -5.343 6.800 1.00 1.34 O ATOM 449 ND2 ASN A 29 7.387 -5.995 8.641 1.00 21.01 N ATOM 0 H ASN A 29 7.051 -0.846 6.424 1.00 32.43 H new ATOM 0 HA ASN A 29 7.944 -2.855 6.141 1.00 50.24 H new ATOM 0 HB2 ASN A 29 7.763 -3.124 8.595 1.00 12.14 H new ATOM 0 HB3 ASN A 29 6.150 -3.786 8.414 1.00 12.14 H new ATOM 0 HD21 ASN A 29 7.755 -6.943 8.565 1.00 21.01 H new ATOM 0 HD22 ASN A 29 6.766 -5.749 9.412 1.00 21.01 H new ATOM 456 N LEU A 30 5.976 -3.187 4.389 1.00 54.40 N ATOM 457 CA LEU A 30 5.270 -3.847 3.281 1.00 72.24 C ATOM 458 C LEU A 30 6.135 -3.864 2.010 1.00 33.51 C ATOM 459 O LEU A 30 5.685 -4.295 0.952 1.00 23.05 O ATOM 460 CB LEU A 30 3.938 -3.135 2.987 1.00 31.00 C ATOM 461 CG LEU A 30 2.848 -3.292 4.059 1.00 12.23 C ATOM 462 CD1 LEU A 30 1.612 -2.474 3.694 1.00 33.12 C ATOM 463 CD2 LEU A 30 2.483 -4.765 4.237 1.00 61.51 C ATOM 0 H LEU A 30 6.395 -2.293 4.134 1.00 54.40 H new ATOM 0 HA LEU A 30 5.068 -4.875 3.582 1.00 72.24 H new ATOM 0 HB2 LEU A 30 4.138 -2.072 2.851 1.00 31.00 H new ATOM 0 HB3 LEU A 30 3.548 -3.510 2.041 1.00 31.00 H new ATOM 0 HG LEU A 30 3.239 -2.916 5.004 1.00 12.23 H new ATOM 0 HD11 LEU A 30 0.852 -2.599 4.466 1.00 33.12 H new ATOM 0 HD12 LEU A 30 1.882 -1.421 3.618 1.00 33.12 H new ATOM 0 HD13 LEU A 30 1.218 -2.818 2.738 1.00 33.12 H new ATOM 0 HD21 LEU A 30 1.710 -4.859 5.000 1.00 61.51 H new ATOM 0 HD22 LEU A 30 2.112 -5.165 3.293 1.00 61.51 H new ATOM 0 HD23 LEU A 30 3.366 -5.324 4.545 1.00 61.51 H new ATOM 475 N GLY A 31 7.386 -3.416 2.125 1.00 52.20 N ATOM 476 CA GLY A 31 8.273 -3.335 0.963 1.00 42.34 C ATOM 477 C GLY A 31 8.597 -4.698 0.354 1.00 34.30 C ATOM 478 O GLY A 31 9.040 -4.792 -0.793 1.00 53.14 O ATOM 0 H GLY A 31 7.805 -3.106 3.002 1.00 52.20 H new ATOM 0 HA2 GLY A 31 7.809 -2.706 0.203 1.00 42.34 H new ATOM 0 HA3 GLY A 31 9.202 -2.846 1.257 1.00 42.34 H new ATOM 482 N CYS A 32 8.363 -5.758 1.124 1.00 63.53 N ATOM 483 CA CYS A 32 8.601 -7.135 0.671 1.00 24.44 C ATOM 484 C CYS A 32 7.656 -7.546 -0.475 1.00 23.52 C ATOM 485 O CYS A 32 7.843 -8.598 -1.091 1.00 72.34 O ATOM 486 CB CYS A 32 8.431 -8.110 1.843 1.00 55.03 C ATOM 487 SG CYS A 32 9.451 -7.725 3.287 1.00 63.04 S ATOM 0 H CYS A 32 8.004 -5.692 2.077 1.00 63.53 H new ATOM 0 HA CYS A 32 9.622 -7.175 0.292 1.00 24.44 H new ATOM 0 HB2 CYS A 32 7.384 -8.118 2.145 1.00 55.03 H new ATOM 0 HB3 CYS A 32 8.672 -9.116 1.501 1.00 55.03 H new ATOM 0 HG CYS A 32 9.232 -8.604 4.219 1.00 63.04 H new ATOM 493 N ILE A 33 6.645 -6.716 -0.757 1.00 63.33 N ATOM 494 CA ILE A 33 5.654 -7.011 -1.805 1.00 24.44 C ATOM 495 C ILE A 33 6.302 -7.366 -3.156 1.00 2.21 C ATOM 496 O ILE A 33 5.889 -8.324 -3.807 1.00 25.14 O ATOM 497 CB ILE A 33 4.662 -5.835 -2.003 1.00 41.41 C ATOM 498 CG1 ILE A 33 5.423 -4.507 -2.183 1.00 43.40 C ATOM 499 CG2 ILE A 33 3.682 -5.758 -0.830 1.00 22.13 C ATOM 500 CD1 ILE A 33 4.529 -3.306 -2.407 1.00 63.30 C ATOM 0 H ILE A 33 6.489 -5.831 -0.274 1.00 63.33 H new ATOM 0 HA ILE A 33 5.108 -7.886 -1.453 1.00 24.44 H new ATOM 0 HB ILE A 33 4.086 -6.015 -2.911 1.00 41.41 H new ATOM 0 HG12 ILE A 33 6.036 -4.330 -1.299 1.00 43.40 H new ATOM 0 HG13 ILE A 33 6.103 -4.603 -3.029 1.00 43.40 H new ATOM 0 HG21 ILE A 33 2.993 -4.927 -0.985 1.00 22.13 H new ATOM 0 HG22 ILE A 33 3.119 -6.689 -0.765 1.00 22.13 H new ATOM 0 HG23 ILE A 33 4.235 -5.603 0.096 1.00 22.13 H new ATOM 0 HD11 ILE A 33 5.142 -2.413 -2.524 1.00 63.30 H new ATOM 0 HD12 ILE A 33 3.934 -3.458 -3.307 1.00 63.30 H new ATOM 0 HD13 ILE A 33 3.866 -3.181 -1.551 1.00 63.30 H new ATOM 512 N GLY A 34 7.307 -6.599 -3.576 1.00 62.11 N ATOM 513 CA GLY A 34 8.009 -6.907 -4.821 1.00 24.34 C ATOM 514 C GLY A 34 8.670 -8.283 -4.800 1.00 45.01 C ATOM 515 O GLY A 34 8.523 -9.075 -5.734 1.00 14.11 O ATOM 0 H GLY A 34 7.649 -5.774 -3.083 1.00 62.11 H new ATOM 0 HA2 GLY A 34 7.305 -6.859 -5.652 1.00 24.34 H new ATOM 0 HA3 GLY A 34 8.768 -6.146 -5.003 1.00 24.34 H new ATOM 519 N CYS A 35 9.376 -8.576 -3.710 1.00 64.41 N ATOM 520 CA CYS A 35 10.086 -9.854 -3.551 1.00 21.21 C ATOM 521 C CYS A 35 9.124 -11.055 -3.560 1.00 51.02 C ATOM 522 O CYS A 35 9.397 -12.079 -4.188 1.00 5.15 O ATOM 523 CB CYS A 35 10.890 -9.843 -2.245 1.00 1.53 C ATOM 524 SG CYS A 35 12.029 -8.445 -2.102 1.00 72.13 S ATOM 0 H CYS A 35 9.475 -7.944 -2.916 1.00 64.41 H new ATOM 0 HA CYS A 35 10.759 -9.964 -4.401 1.00 21.21 H new ATOM 0 HB2 CYS A 35 10.198 -9.824 -1.403 1.00 1.53 H new ATOM 0 HB3 CYS A 35 11.457 -10.771 -2.170 1.00 1.53 H new ATOM 0 HG CYS A 35 12.663 -8.516 -0.969 1.00 72.13 H new ATOM 530 N MET A 36 7.995 -10.926 -2.866 1.00 24.34 N ATOM 531 CA MET A 36 7.009 -12.015 -2.788 1.00 44.30 C ATOM 532 C MET A 36 6.005 -11.979 -3.959 1.00 73.12 C ATOM 533 O MET A 36 5.098 -12.812 -4.031 1.00 31.22 O ATOM 534 CB MET A 36 6.264 -11.961 -1.446 1.00 33.01 C ATOM 535 CG MET A 36 5.473 -10.678 -1.225 1.00 11.31 C ATOM 536 SD MET A 36 4.660 -10.619 0.385 1.00 20.50 S ATOM 537 CE MET A 36 3.521 -11.996 0.248 1.00 60.14 C ATOM 0 H MET A 36 7.736 -10.085 -2.350 1.00 24.34 H new ATOM 0 HA MET A 36 7.557 -12.955 -2.861 1.00 44.30 H new ATOM 0 HB2 MET A 36 5.583 -12.810 -1.386 1.00 33.01 H new ATOM 0 HB3 MET A 36 6.986 -12.074 -0.637 1.00 33.01 H new ATOM 0 HG2 MET A 36 6.143 -9.824 -1.319 1.00 11.31 H new ATOM 0 HG3 MET A 36 4.722 -10.581 -2.009 1.00 11.31 H new ATOM 0 HE1 MET A 36 2.742 -11.901 1.005 1.00 60.14 H new ATOM 0 HE2 MET A 36 3.067 -11.995 -0.743 1.00 60.14 H new ATOM 0 HE3 MET A 36 4.061 -12.931 0.399 1.00 60.14 H new ATOM 547 N GLY A 37 6.172 -11.020 -4.871 1.00 22.14 N ATOM 548 CA GLY A 37 5.294 -10.920 -6.039 1.00 4.23 C ATOM 549 C GLY A 37 3.861 -10.511 -5.694 1.00 20.15 C ATOM 550 O GLY A 37 2.918 -10.859 -6.402 1.00 12.15 O ATOM 0 H GLY A 37 6.900 -10.307 -4.825 1.00 22.14 H new ATOM 0 HA2 GLY A 37 5.712 -10.194 -6.737 1.00 4.23 H new ATOM 0 HA3 GLY A 37 5.275 -11.881 -6.552 1.00 4.23 H new ATOM 554 N ALA A 38 3.701 -9.755 -4.612 1.00 71.23 N ATOM 555 CA ALA A 38 2.375 -9.336 -4.138 1.00 15.13 C ATOM 556 C ALA A 38 1.883 -8.047 -4.823 1.00 1.11 C ATOM 557 O ALA A 38 0.931 -7.422 -4.365 1.00 43.13 O ATOM 558 CB ALA A 38 2.404 -9.155 -2.626 1.00 12.32 C ATOM 0 H ALA A 38 4.475 -9.416 -4.040 1.00 71.23 H new ATOM 0 HA ALA A 38 1.668 -10.123 -4.402 1.00 15.13 H new ATOM 0 HB1 ALA A 38 1.419 -8.844 -2.278 1.00 12.32 H new ATOM 0 HB2 ALA A 38 2.676 -10.098 -2.152 1.00 12.32 H new ATOM 0 HB3 ALA A 38 3.138 -8.393 -2.365 1.00 12.32 H new ATOM 564 N GLN A 39 2.517 -7.663 -5.934 1.00 51.45 N ATOM 565 CA GLN A 39 2.104 -6.468 -6.689 1.00 73.21 C ATOM 566 C GLN A 39 0.646 -6.577 -7.164 1.00 64.33 C ATOM 567 O GLN A 39 -0.090 -5.590 -7.198 1.00 51.42 O ATOM 568 CB GLN A 39 3.022 -6.258 -7.902 1.00 61.25 C ATOM 569 CG GLN A 39 4.479 -5.993 -7.545 1.00 63.32 C ATOM 570 CD GLN A 39 4.667 -4.715 -6.749 1.00 4.01 C ATOM 571 OE1 GLN A 39 4.854 -3.643 -7.308 1.00 23.41 O ATOM 572 NE2 GLN A 39 4.626 -4.817 -5.437 1.00 33.33 N ATOM 0 H GLN A 39 3.315 -8.157 -6.333 1.00 51.45 H new ATOM 0 HA GLN A 39 2.184 -5.613 -6.017 1.00 73.21 H new ATOM 0 HB2 GLN A 39 2.971 -7.141 -8.539 1.00 61.25 H new ATOM 0 HB3 GLN A 39 2.645 -5.420 -8.488 1.00 61.25 H new ATOM 0 HG2 GLN A 39 4.866 -6.834 -6.970 1.00 63.32 H new ATOM 0 HG3 GLN A 39 5.068 -5.935 -8.460 1.00 63.32 H new ATOM 0 HE21 GLN A 39 4.468 -5.725 -5.001 1.00 33.33 H new ATOM 0 HE22 GLN A 39 4.752 -3.988 -4.857 1.00 33.33 H new ATOM 581 N ASN A 40 0.241 -7.794 -7.517 1.00 65.34 N ATOM 582 CA ASN A 40 -1.109 -8.064 -8.024 1.00 1.24 C ATOM 583 C ASN A 40 -2.145 -8.159 -6.886 1.00 22.14 C ATOM 584 O ASN A 40 -3.349 -8.271 -7.133 1.00 73.42 O ATOM 585 CB ASN A 40 -1.088 -9.366 -8.838 1.00 1.41 C ATOM 586 CG ASN A 40 -0.139 -9.287 -10.025 1.00 5.15 C ATOM 587 OD1 ASN A 40 0.027 -8.234 -10.634 1.00 45.14 O ATOM 588 ND2 ASN A 40 0.507 -10.388 -10.354 1.00 20.15 N ATOM 0 H ASN A 40 0.835 -8.621 -7.461 1.00 65.34 H new ATOM 0 HA ASN A 40 -1.410 -7.231 -8.660 1.00 1.24 H new ATOM 0 HB2 ASN A 40 -0.791 -10.192 -8.192 1.00 1.41 H new ATOM 0 HB3 ASN A 40 -2.094 -9.586 -9.194 1.00 1.41 H new ATOM 0 HD21 ASN A 40 1.165 -10.380 -11.133 1.00 20.15 H new ATOM 0 HD22 ASN A 40 0.349 -11.248 -9.829 1.00 20.15 H new ATOM 595 N GLU A 41 -1.667 -8.103 -5.646 1.00 34.43 N ATOM 596 CA GLU A 41 -2.526 -8.210 -4.461 1.00 44.22 C ATOM 597 C GLU A 41 -2.993 -6.820 -3.988 1.00 62.04 C ATOM 598 O GLU A 41 -2.288 -5.824 -4.163 1.00 25.34 O ATOM 599 CB GLU A 41 -1.751 -8.941 -3.354 1.00 43.53 C ATOM 600 CG GLU A 41 -2.526 -9.154 -2.057 1.00 35.22 C ATOM 601 CD GLU A 41 -1.821 -10.120 -1.112 1.00 31.40 C ATOM 602 OE1 GLU A 41 -0.755 -9.763 -0.562 1.00 13.21 O ATOM 603 OE2 GLU A 41 -2.318 -11.256 -0.933 1.00 52.34 O ATOM 0 H GLU A 41 -0.677 -7.983 -5.430 1.00 34.43 H new ATOM 0 HA GLU A 41 -3.422 -8.778 -4.712 1.00 44.22 H new ATOM 0 HB2 GLU A 41 -1.434 -9.912 -3.734 1.00 43.53 H new ATOM 0 HB3 GLU A 41 -0.846 -8.375 -3.130 1.00 43.53 H new ATOM 0 HG2 GLU A 41 -2.663 -8.195 -1.557 1.00 35.22 H new ATOM 0 HG3 GLU A 41 -3.520 -9.537 -2.289 1.00 35.22 H new ATOM 610 N SER A 42 -4.191 -6.753 -3.404 1.00 34.12 N ATOM 611 CA SER A 42 -4.763 -5.472 -2.956 1.00 73.32 C ATOM 612 C SER A 42 -4.151 -5.000 -1.635 1.00 71.04 C ATOM 613 O SER A 42 -3.663 -5.804 -0.837 1.00 62.50 O ATOM 614 CB SER A 42 -6.287 -5.578 -2.807 1.00 22.44 C ATOM 615 OG SER A 42 -6.654 -6.465 -1.761 1.00 24.54 O ATOM 0 H SER A 42 -4.785 -7.564 -3.229 1.00 34.12 H new ATOM 0 HA SER A 42 -4.524 -4.735 -3.723 1.00 73.32 H new ATOM 0 HB2 SER A 42 -6.702 -4.590 -2.608 1.00 22.44 H new ATOM 0 HB3 SER A 42 -6.721 -5.923 -3.745 1.00 22.44 H new ATOM 0 HG SER A 42 -7.568 -6.265 -1.468 1.00 24.54 H new ATOM 621 N LEU A 43 -4.190 -3.687 -1.404 1.00 22.00 N ATOM 622 CA LEU A 43 -3.616 -3.088 -0.192 1.00 30.13 C ATOM 623 C LEU A 43 -4.145 -3.749 1.092 1.00 45.23 C ATOM 624 O LEU A 43 -3.377 -4.040 2.007 1.00 4.35 O ATOM 625 CB LEU A 43 -3.898 -1.579 -0.154 1.00 65.14 C ATOM 626 CG LEU A 43 -3.258 -0.757 -1.288 1.00 53.11 C ATOM 627 CD1 LEU A 43 -3.595 0.725 -1.144 1.00 30.30 C ATOM 628 CD2 LEU A 43 -1.745 -0.960 -1.318 1.00 3.14 C ATOM 0 H LEU A 43 -4.614 -3.013 -2.042 1.00 22.00 H new ATOM 0 HA LEU A 43 -2.540 -3.258 -0.232 1.00 30.13 H new ATOM 0 HB2 LEU A 43 -4.977 -1.428 -0.183 1.00 65.14 H new ATOM 0 HB3 LEU A 43 -3.547 -1.185 0.800 1.00 65.14 H new ATOM 0 HG LEU A 43 -3.671 -1.111 -2.233 1.00 53.11 H new ATOM 0 HD11 LEU A 43 -3.131 1.284 -1.957 1.00 30.30 H new ATOM 0 HD12 LEU A 43 -4.676 0.858 -1.183 1.00 30.30 H new ATOM 0 HD13 LEU A 43 -3.218 1.093 -0.190 1.00 30.30 H new ATOM 0 HD21 LEU A 43 -1.315 -0.370 -2.127 1.00 3.14 H new ATOM 0 HD22 LEU A 43 -1.316 -0.641 -0.368 1.00 3.14 H new ATOM 0 HD23 LEU A 43 -1.523 -2.015 -1.480 1.00 3.14 H new ATOM 640 N GLU A 44 -5.456 -3.992 1.157 1.00 31.45 N ATOM 641 CA GLU A 44 -6.063 -4.596 2.351 1.00 75.42 C ATOM 642 C GLU A 44 -5.648 -6.063 2.533 1.00 20.02 C ATOM 643 O GLU A 44 -5.227 -6.465 3.622 1.00 71.53 O ATOM 644 CB GLU A 44 -7.591 -4.491 2.297 1.00 55.34 C ATOM 645 CG GLU A 44 -8.291 -5.218 3.440 1.00 22.33 C ATOM 646 CD GLU A 44 -9.781 -4.933 3.506 1.00 65.31 C ATOM 647 OE1 GLU A 44 -10.477 -5.144 2.493 1.00 44.14 O ATOM 648 OE2 GLU A 44 -10.257 -4.496 4.575 1.00 55.21 O ATOM 0 H GLU A 44 -6.114 -3.783 0.406 1.00 31.45 H new ATOM 0 HA GLU A 44 -5.694 -4.036 3.210 1.00 75.42 H new ATOM 0 HB2 GLU A 44 -7.876 -3.439 2.317 1.00 55.34 H new ATOM 0 HB3 GLU A 44 -7.942 -4.898 1.349 1.00 55.34 H new ATOM 0 HG2 GLU A 44 -8.137 -6.291 3.328 1.00 22.33 H new ATOM 0 HG3 GLU A 44 -7.830 -4.927 4.384 1.00 22.33 H new ATOM 655 N GLN A 45 -5.765 -6.862 1.472 1.00 75.30 N ATOM 656 CA GLN A 45 -5.398 -8.281 1.538 1.00 11.33 C ATOM 657 C GLN A 45 -3.908 -8.443 1.868 1.00 44.45 C ATOM 658 O GLN A 45 -3.523 -9.322 2.639 1.00 2.12 O ATOM 659 CB GLN A 45 -5.739 -8.987 0.218 1.00 23.11 C ATOM 660 CG GLN A 45 -7.231 -8.976 -0.113 1.00 11.34 C ATOM 661 CD GLN A 45 -7.560 -9.697 -1.412 1.00 21.52 C ATOM 662 OE1 GLN A 45 -6.881 -10.643 -1.801 1.00 5.42 O ATOM 663 NE2 GLN A 45 -8.599 -9.259 -2.092 1.00 2.21 N ATOM 0 H GLN A 45 -6.108 -6.556 0.562 1.00 75.30 H new ATOM 0 HA GLN A 45 -5.975 -8.746 2.337 1.00 11.33 H new ATOM 0 HB2 GLN A 45 -5.192 -8.507 -0.593 1.00 23.11 H new ATOM 0 HB3 GLN A 45 -5.394 -10.020 0.268 1.00 23.11 H new ATOM 0 HG2 GLN A 45 -7.782 -9.442 0.704 1.00 11.34 H new ATOM 0 HG3 GLN A 45 -7.574 -7.944 -0.180 1.00 11.34 H new ATOM 0 HE21 GLN A 45 -9.143 -8.470 -1.741 1.00 2.21 H new ATOM 0 HE22 GLN A 45 -8.860 -9.708 -2.970 1.00 2.21 H new ATOM 672 N GLY A 46 -3.079 -7.580 1.289 1.00 32.10 N ATOM 673 CA GLY A 46 -1.657 -7.580 1.604 1.00 13.41 C ATOM 674 C GLY A 46 -1.364 -7.128 3.030 1.00 10.23 C ATOM 675 O GLY A 46 -0.534 -7.721 3.722 1.00 21.23 O ATOM 0 H GLY A 46 -3.365 -6.879 0.606 1.00 32.10 H new ATOM 0 HA2 GLY A 46 -1.258 -8.584 1.457 1.00 13.41 H new ATOM 0 HA3 GLY A 46 -1.136 -6.925 0.906 1.00 13.41 H new ATOM 679 N ALA A 47 -2.046 -6.073 3.473 1.00 4.42 N ATOM 680 CA ALA A 47 -1.898 -5.573 4.843 1.00 51.41 C ATOM 681 C ALA A 47 -2.153 -6.687 5.868 1.00 63.23 C ATOM 682 O ALA A 47 -1.278 -7.019 6.670 1.00 0.43 O ATOM 683 CB ALA A 47 -2.840 -4.398 5.086 1.00 32.24 C ATOM 0 H ALA A 47 -2.708 -5.546 2.904 1.00 4.42 H new ATOM 0 HA ALA A 47 -0.871 -5.229 4.968 1.00 51.41 H new ATOM 0 HB1 ALA A 47 -2.717 -4.039 6.108 1.00 32.24 H new ATOM 0 HB2 ALA A 47 -2.606 -3.594 4.388 1.00 32.24 H new ATOM 0 HB3 ALA A 47 -3.870 -4.721 4.936 1.00 32.24 H new ATOM 689 N ASN A 48 -3.344 -7.281 5.817 1.00 53.43 N ATOM 690 CA ASN A 48 -3.700 -8.381 6.724 1.00 51.25 C ATOM 691 C ASN A 48 -2.772 -9.594 6.542 1.00 32.21 C ATOM 692 O ASN A 48 -2.460 -10.293 7.506 1.00 42.10 O ATOM 693 CB ASN A 48 -5.155 -8.806 6.518 1.00 62.21 C ATOM 694 CG ASN A 48 -6.135 -7.739 6.966 1.00 1.00 C ATOM 695 OD1 ASN A 48 -6.490 -7.659 8.138 1.00 52.21 O ATOM 696 ND2 ASN A 48 -6.593 -6.919 6.043 1.00 52.10 N ATOM 0 H ASN A 48 -4.080 -7.023 5.160 1.00 53.43 H new ATOM 0 HA ASN A 48 -3.577 -8.009 7.741 1.00 51.25 H new ATOM 0 HB2 ASN A 48 -5.320 -9.029 5.464 1.00 62.21 H new ATOM 0 HB3 ASN A 48 -5.344 -9.726 7.072 1.00 62.21 H new ATOM 0 HD21 ASN A 48 -7.262 -6.191 6.294 1.00 52.10 H new ATOM 0 HD22 ASN A 48 -6.278 -7.011 5.077 1.00 52.10 H new ATOM 703 N ALA A 49 -2.335 -9.837 5.305 1.00 34.44 N ATOM 704 CA ALA A 49 -1.378 -10.914 5.020 1.00 52.32 C ATOM 705 C ALA A 49 -0.070 -10.734 5.809 1.00 32.51 C ATOM 706 O ALA A 49 0.631 -11.703 6.096 1.00 22.11 O ATOM 707 CB ALA A 49 -1.088 -10.988 3.523 1.00 11.04 C ATOM 0 H ALA A 49 -2.626 -9.305 4.485 1.00 34.44 H new ATOM 0 HA ALA A 49 -1.833 -11.852 5.340 1.00 52.32 H new ATOM 0 HB1 ALA A 49 -0.377 -11.791 3.329 1.00 11.04 H new ATOM 0 HB2 ALA A 49 -2.014 -11.185 2.982 1.00 11.04 H new ATOM 0 HB3 ALA A 49 -0.666 -10.041 3.187 1.00 11.04 H new ATOM 713 N HIS A 50 0.257 -9.485 6.147 1.00 15.35 N ATOM 714 CA HIS A 50 1.446 -9.181 6.957 1.00 31.40 C ATOM 715 C HIS A 50 1.069 -8.806 8.404 1.00 4.31 C ATOM 716 O HIS A 50 1.940 -8.651 9.261 1.00 21.13 O ATOM 717 CB HIS A 50 2.249 -8.044 6.308 1.00 62.53 C ATOM 718 CG HIS A 50 2.809 -8.390 4.956 1.00 65.11 C ATOM 719 ND1 HIS A 50 4.158 -8.369 4.668 1.00 31.01 N ATOM 720 CD2 HIS A 50 2.193 -8.743 3.801 1.00 70.13 C ATOM 721 CE1 HIS A 50 4.343 -8.689 3.403 1.00 4.04 C ATOM 722 NE2 HIS A 50 3.168 -8.920 2.856 1.00 34.43 N ATOM 0 H HIS A 50 -0.284 -8.664 5.874 1.00 15.35 H new ATOM 0 HA HIS A 50 2.060 -10.081 6.997 1.00 31.40 H new ATOM 0 HB2 HIS A 50 1.608 -7.168 6.212 1.00 62.53 H new ATOM 0 HB3 HIS A 50 3.069 -7.767 6.970 1.00 62.53 H new ATOM 0 HD2 HIS A 50 1.130 -8.863 3.654 1.00 70.13 H new ATOM 0 HE1 HIS A 50 5.297 -8.751 2.900 1.00 4.04 H new ATOM 0 HE2 HIS A 50 3.009 -9.188 1.885 1.00 34.43 H new ATOM 731 N GLY A 51 -0.231 -8.660 8.668 1.00 20.32 N ATOM 732 CA GLY A 51 -0.705 -8.330 10.015 1.00 13.33 C ATOM 733 C GLY A 51 -0.854 -6.826 10.268 1.00 44.45 C ATOM 734 O GLY A 51 -0.585 -6.343 11.373 1.00 22.42 O ATOM 0 H GLY A 51 -0.970 -8.764 7.973 1.00 20.32 H new ATOM 0 HA2 GLY A 51 -1.668 -8.814 10.180 1.00 13.33 H new ATOM 0 HA3 GLY A 51 -0.011 -8.745 10.746 1.00 13.33 H new ATOM 738 N LEU A 52 -1.299 -6.086 9.255 1.00 41.11 N ATOM 739 CA LEU A 52 -1.464 -4.627 9.359 1.00 53.22 C ATOM 740 C LEU A 52 -2.901 -4.197 9.027 1.00 62.31 C ATOM 741 O LEU A 52 -3.592 -4.851 8.245 1.00 41.44 O ATOM 742 CB LEU A 52 -0.495 -3.915 8.402 1.00 74.11 C ATOM 743 CG LEU A 52 0.997 -4.228 8.601 1.00 1.32 C ATOM 744 CD1 LEU A 52 1.840 -3.469 7.582 1.00 50.42 C ATOM 745 CD2 LEU A 52 1.437 -3.890 10.023 1.00 30.34 C ATOM 0 H LEU A 52 -1.555 -6.470 8.345 1.00 41.11 H new ATOM 0 HA LEU A 52 -1.246 -4.346 10.389 1.00 53.22 H new ATOM 0 HB2 LEU A 52 -0.768 -4.176 7.379 1.00 74.11 H new ATOM 0 HB3 LEU A 52 -0.638 -2.839 8.505 1.00 74.11 H new ATOM 0 HG LEU A 52 1.147 -5.296 8.446 1.00 1.32 H new ATOM 0 HD11 LEU A 52 2.894 -3.701 7.736 1.00 50.42 H new ATOM 0 HD12 LEU A 52 1.547 -3.765 6.575 1.00 50.42 H new ATOM 0 HD13 LEU A 52 1.683 -2.397 7.706 1.00 50.42 H new ATOM 0 HD21 LEU A 52 2.496 -4.120 10.140 1.00 30.34 H new ATOM 0 HD22 LEU A 52 1.273 -2.829 10.212 1.00 30.34 H new ATOM 0 HD23 LEU A 52 0.857 -4.479 10.733 1.00 30.34 H new ATOM 757 N ASN A 53 -3.347 -3.089 9.617 1.00 74.32 N ATOM 758 CA ASN A 53 -4.656 -2.516 9.288 1.00 51.34 C ATOM 759 C ASN A 53 -4.545 -1.528 8.115 1.00 62.41 C ATOM 760 O ASN A 53 -3.860 -0.508 8.209 1.00 62.13 O ATOM 761 CB ASN A 53 -5.262 -1.821 10.511 1.00 64.33 C ATOM 762 CG ASN A 53 -6.579 -1.132 10.194 1.00 25.41 C ATOM 763 OD1 ASN A 53 -7.307 -1.531 9.286 1.00 0.21 O ATOM 764 ND2 ASN A 53 -6.896 -0.093 10.936 1.00 21.31 N ATOM 0 H ASN A 53 -2.825 -2.570 10.323 1.00 74.32 H new ATOM 0 HA ASN A 53 -5.314 -3.331 8.987 1.00 51.34 H new ATOM 0 HB2 ASN A 53 -5.420 -2.555 11.301 1.00 64.33 H new ATOM 0 HB3 ASN A 53 -4.554 -1.086 10.896 1.00 64.33 H new ATOM 0 HD21 ASN A 53 -7.768 0.408 10.766 1.00 21.31 H new ATOM 0 HD22 ASN A 53 -6.270 0.212 11.681 1.00 21.31 H new ATOM 771 N VAL A 54 -5.240 -1.833 7.021 1.00 51.42 N ATOM 772 CA VAL A 54 -5.184 -1.009 5.807 1.00 52.30 C ATOM 773 C VAL A 54 -5.687 0.430 6.051 1.00 22.42 C ATOM 774 O VAL A 54 -5.192 1.373 5.441 1.00 70.45 O ATOM 775 CB VAL A 54 -5.999 -1.659 4.656 1.00 62.14 C ATOM 776 CG1 VAL A 54 -7.488 -1.713 4.995 1.00 62.20 C ATOM 777 CG2 VAL A 54 -5.764 -0.924 3.337 1.00 22.34 C ATOM 0 H VAL A 54 -5.851 -2.646 6.947 1.00 51.42 H new ATOM 0 HA VAL A 54 -4.134 -0.953 5.519 1.00 52.30 H new ATOM 0 HB VAL A 54 -5.648 -2.684 4.537 1.00 62.14 H new ATOM 0 HG11 VAL A 54 -8.032 -2.173 4.170 1.00 62.20 H new ATOM 0 HG12 VAL A 54 -7.634 -2.303 5.900 1.00 62.20 H new ATOM 0 HG13 VAL A 54 -7.861 -0.702 5.157 1.00 62.20 H new ATOM 0 HG21 VAL A 54 -6.346 -1.399 2.547 1.00 22.34 H new ATOM 0 HG22 VAL A 54 -6.073 0.116 3.440 1.00 22.34 H new ATOM 0 HG23 VAL A 54 -4.705 -0.964 3.082 1.00 22.34 H new ATOM 787 N GLU A 55 -6.660 0.586 6.954 1.00 22.25 N ATOM 788 CA GLU A 55 -7.227 1.905 7.279 1.00 1.14 C ATOM 789 C GLU A 55 -6.134 2.898 7.701 1.00 50.32 C ATOM 790 O GLU A 55 -6.079 4.032 7.213 1.00 42.23 O ATOM 791 CB GLU A 55 -8.260 1.765 8.408 1.00 4.35 C ATOM 792 CG GLU A 55 -9.428 0.837 8.077 1.00 34.40 C ATOM 793 CD GLU A 55 -10.368 1.412 7.029 1.00 51.32 C ATOM 794 OE1 GLU A 55 -10.013 1.414 5.833 1.00 70.44 O ATOM 795 OE2 GLU A 55 -11.479 1.851 7.396 1.00 72.15 O ATOM 0 H GLU A 55 -7.075 -0.186 7.476 1.00 22.25 H new ATOM 0 HA GLU A 55 -7.710 2.292 6.382 1.00 1.14 H new ATOM 0 HB2 GLU A 55 -7.757 1.394 9.301 1.00 4.35 H new ATOM 0 HB3 GLU A 55 -8.653 2.752 8.651 1.00 4.35 H new ATOM 0 HG2 GLU A 55 -9.037 -0.117 7.722 1.00 34.40 H new ATOM 0 HG3 GLU A 55 -9.991 0.632 8.988 1.00 34.40 H new ATOM 802 N ASP A 56 -5.259 2.450 8.600 1.00 65.54 N ATOM 803 CA ASP A 56 -4.160 3.275 9.106 1.00 11.11 C ATOM 804 C ASP A 56 -3.188 3.662 7.977 1.00 53.30 C ATOM 805 O ASP A 56 -2.733 4.807 7.890 1.00 53.54 O ATOM 806 CB ASP A 56 -3.422 2.514 10.215 1.00 12.43 C ATOM 807 CG ASP A 56 -2.353 3.355 10.888 1.00 12.24 C ATOM 808 OD1 ASP A 56 -2.707 4.351 11.543 1.00 34.11 O ATOM 809 OD2 ASP A 56 -1.159 3.025 10.768 1.00 2.22 O ATOM 0 H ASP A 56 -5.290 1.511 8.997 1.00 65.54 H new ATOM 0 HA ASP A 56 -4.574 4.198 9.513 1.00 11.11 H new ATOM 0 HB2 ASP A 56 -4.142 2.181 10.963 1.00 12.43 H new ATOM 0 HB3 ASP A 56 -2.963 1.619 9.794 1.00 12.43 H new ATOM 814 N ILE A 57 -2.897 2.701 7.104 1.00 70.12 N ATOM 815 CA ILE A 57 -1.985 2.919 5.977 1.00 12.01 C ATOM 816 C ILE A 57 -2.575 3.916 4.962 1.00 42.35 C ATOM 817 O ILE A 57 -1.901 4.855 4.528 1.00 5.32 O ATOM 818 CB ILE A 57 -1.667 1.582 5.257 1.00 21.40 C ATOM 819 CG1 ILE A 57 -1.173 0.532 6.270 1.00 13.41 C ATOM 820 CG2 ILE A 57 -0.628 1.792 4.152 1.00 71.43 C ATOM 821 CD1 ILE A 57 -0.949 -0.842 5.670 1.00 63.21 C ATOM 0 H ILE A 57 -3.281 1.757 7.154 1.00 70.12 H new ATOM 0 HA ILE A 57 -1.064 3.337 6.385 1.00 12.01 H new ATOM 0 HB ILE A 57 -2.584 1.216 4.795 1.00 21.40 H new ATOM 0 HG12 ILE A 57 -0.240 0.880 6.714 1.00 13.41 H new ATOM 0 HG13 ILE A 57 -1.900 0.451 7.078 1.00 13.41 H new ATOM 0 HG21 ILE A 57 -0.421 0.841 3.662 1.00 71.43 H new ATOM 0 HG22 ILE A 57 -1.014 2.501 3.420 1.00 71.43 H new ATOM 0 HG23 ILE A 57 0.292 2.183 4.587 1.00 71.43 H new ATOM 0 HD11 ILE A 57 -0.602 -1.525 6.445 1.00 63.21 H new ATOM 0 HD12 ILE A 57 -1.884 -1.213 5.251 1.00 63.21 H new ATOM 0 HD13 ILE A 57 -0.199 -0.777 4.882 1.00 63.21 H new ATOM 833 N LEU A 58 -3.845 3.714 4.594 1.00 14.41 N ATOM 834 CA LEU A 58 -4.536 4.595 3.638 1.00 24.23 C ATOM 835 C LEU A 58 -4.502 6.063 4.087 1.00 53.43 C ATOM 836 O LEU A 58 -4.430 6.975 3.259 1.00 43.44 O ATOM 837 CB LEU A 58 -5.992 4.152 3.444 1.00 43.44 C ATOM 838 CG LEU A 58 -6.182 2.766 2.805 1.00 0.23 C ATOM 839 CD1 LEU A 58 -7.666 2.420 2.695 1.00 23.43 C ATOM 840 CD2 LEU A 58 -5.513 2.701 1.435 1.00 62.11 C ATOM 0 H LEU A 58 -4.419 2.947 4.943 1.00 14.41 H new ATOM 0 HA LEU A 58 -4.004 4.515 2.690 1.00 24.23 H new ATOM 0 HB2 LEU A 58 -6.487 4.156 4.415 1.00 43.44 H new ATOM 0 HB3 LEU A 58 -6.499 4.891 2.824 1.00 43.44 H new ATOM 0 HG LEU A 58 -5.705 2.029 3.451 1.00 0.23 H new ATOM 0 HD11 LEU A 58 -7.777 1.436 2.240 1.00 23.43 H new ATOM 0 HD12 LEU A 58 -8.113 2.413 3.689 1.00 23.43 H new ATOM 0 HD13 LEU A 58 -8.168 3.164 2.077 1.00 23.43 H new ATOM 0 HD21 LEU A 58 -5.662 1.711 1.004 1.00 62.11 H new ATOM 0 HD22 LEU A 58 -5.953 3.452 0.779 1.00 62.11 H new ATOM 0 HD23 LEU A 58 -4.445 2.894 1.542 1.00 62.11 H new ATOM 852 N ARG A 59 -4.555 6.282 5.400 1.00 15.14 N ATOM 853 CA ARG A 59 -4.487 7.631 5.971 1.00 53.31 C ATOM 854 C ARG A 59 -3.206 8.362 5.529 1.00 42.35 C ATOM 855 O ARG A 59 -3.261 9.494 5.047 1.00 11.51 O ATOM 856 CB ARG A 59 -4.568 7.557 7.507 1.00 72.42 C ATOM 857 CG ARG A 59 -4.402 8.904 8.205 1.00 42.03 C ATOM 858 CD ARG A 59 -4.746 8.826 9.691 1.00 60.32 C ATOM 859 NE ARG A 59 -3.949 7.830 10.408 1.00 21.14 N ATOM 860 CZ ARG A 59 -3.959 7.691 11.709 1.00 24.34 C ATOM 861 NH1 ARG A 59 -4.689 8.457 12.454 1.00 44.41 N ATOM 862 NH2 ARG A 59 -3.242 6.776 12.269 1.00 0.44 N ATOM 0 H ARG A 59 -4.645 5.540 6.094 1.00 15.14 H new ATOM 0 HA ARG A 59 -5.337 8.203 5.599 1.00 53.31 H new ATOM 0 HB2 ARG A 59 -5.530 7.130 7.789 1.00 72.42 H new ATOM 0 HB3 ARG A 59 -3.798 6.875 7.868 1.00 72.42 H new ATOM 0 HG2 ARG A 59 -3.374 9.248 8.089 1.00 42.03 H new ATOM 0 HG3 ARG A 59 -5.042 9.643 7.723 1.00 42.03 H new ATOM 0 HD2 ARG A 59 -4.591 9.804 10.146 1.00 60.32 H new ATOM 0 HD3 ARG A 59 -5.803 8.586 9.802 1.00 60.32 H new ATOM 0 HE ARG A 59 -3.352 7.209 9.863 1.00 21.14 H new ATOM 0 HH11 ARG A 59 -5.267 9.181 12.028 1.00 44.41 H new ATOM 0 HH12 ARG A 59 -4.686 8.336 13.467 1.00 44.41 H new ATOM 0 HH21 ARG A 59 -2.665 6.159 11.697 1.00 0.44 H new ATOM 0 HH22 ARG A 59 -3.252 6.670 13.283 1.00 0.44 H new ATOM 876 N ASP A 60 -2.056 7.703 5.678 1.00 11.14 N ATOM 877 CA ASP A 60 -0.773 8.300 5.294 1.00 32.01 C ATOM 878 C ASP A 60 -0.620 8.355 3.760 1.00 2.13 C ATOM 879 O ASP A 60 -0.037 9.295 3.213 1.00 64.23 O ATOM 880 CB ASP A 60 0.385 7.518 5.936 1.00 0.20 C ATOM 881 CG ASP A 60 1.690 8.300 5.919 1.00 40.40 C ATOM 882 OD1 ASP A 60 1.756 9.366 6.571 1.00 53.03 O ATOM 883 OD2 ASP A 60 2.654 7.861 5.265 1.00 3.25 O ATOM 0 H ASP A 60 -1.985 6.760 6.060 1.00 11.14 H new ATOM 0 HA ASP A 60 -0.746 9.326 5.661 1.00 32.01 H new ATOM 0 HB2 ASP A 60 0.126 7.270 6.965 1.00 0.20 H new ATOM 0 HB3 ASP A 60 0.522 6.576 5.406 1.00 0.20 H new ATOM 888 N LEU A 61 -1.169 7.351 3.073 1.00 75.34 N ATOM 889 CA LEU A 61 -1.120 7.287 1.604 1.00 3.33 C ATOM 890 C LEU A 61 -1.868 8.462 0.948 1.00 1.14 C ATOM 891 O LEU A 61 -1.318 9.162 0.097 1.00 74.20 O ATOM 892 CB LEU A 61 -1.712 5.960 1.100 1.00 52.41 C ATOM 893 CG LEU A 61 -0.902 4.697 1.439 1.00 72.23 C ATOM 894 CD1 LEU A 61 -1.605 3.448 0.913 1.00 30.33 C ATOM 895 CD2 LEU A 61 0.513 4.795 0.875 1.00 42.14 C ATOM 0 H LEU A 61 -1.655 6.567 3.509 1.00 75.34 H new ATOM 0 HA LEU A 61 -0.070 7.352 1.320 1.00 3.33 H new ATOM 0 HB2 LEU A 61 -2.714 5.849 1.515 1.00 52.41 H new ATOM 0 HB3 LEU A 61 -1.821 6.020 0.017 1.00 52.41 H new ATOM 0 HG LEU A 61 -0.832 4.619 2.524 1.00 72.23 H new ATOM 0 HD11 LEU A 61 -1.015 2.566 1.163 1.00 30.33 H new ATOM 0 HD12 LEU A 61 -2.592 3.366 1.369 1.00 30.33 H new ATOM 0 HD13 LEU A 61 -1.710 3.519 -0.170 1.00 30.33 H new ATOM 0 HD21 LEU A 61 1.068 3.891 1.126 1.00 42.14 H new ATOM 0 HD22 LEU A 61 0.466 4.902 -0.209 1.00 42.14 H new ATOM 0 HD23 LEU A 61 1.016 5.661 1.304 1.00 42.14 H new ATOM 907 N ASN A 62 -3.123 8.679 1.347 1.00 12.31 N ATOM 908 CA ASN A 62 -3.939 9.758 0.771 1.00 25.10 C ATOM 909 C ASN A 62 -3.397 11.145 1.148 1.00 72.20 C ATOM 910 O ASN A 62 -3.611 12.120 0.424 1.00 5.21 O ATOM 911 CB ASN A 62 -5.409 9.621 1.192 1.00 71.21 C ATOM 912 CG ASN A 62 -6.104 8.472 0.479 1.00 15.52 C ATOM 913 OD1 ASN A 62 -6.602 8.630 -0.630 1.00 51.21 O ATOM 914 ND2 ASN A 62 -6.156 7.315 1.104 1.00 1.14 N ATOM 0 H ASN A 62 -3.597 8.127 2.062 1.00 12.31 H new ATOM 0 HA ASN A 62 -3.880 9.663 -0.313 1.00 25.10 H new ATOM 0 HB2 ASN A 62 -5.464 9.465 2.269 1.00 71.21 H new ATOM 0 HB3 ASN A 62 -5.935 10.551 0.978 1.00 71.21 H new ATOM 0 HD21 ASN A 62 -6.620 6.519 0.666 1.00 1.14 H new ATOM 0 HD22 ASN A 62 -5.732 7.214 2.026 1.00 1.14 H new ATOM 921 N ALA A 63 -2.688 11.232 2.274 1.00 2.33 N ATOM 922 CA ALA A 63 -2.034 12.483 2.678 1.00 24.54 C ATOM 923 C ALA A 63 -1.033 12.957 1.606 1.00 42.24 C ATOM 924 O ALA A 63 -0.817 14.158 1.429 1.00 13.30 O ATOM 925 CB ALA A 63 -1.338 12.304 4.023 1.00 52.22 C ATOM 0 H ALA A 63 -2.551 10.456 2.922 1.00 2.33 H new ATOM 0 HA ALA A 63 -2.800 13.251 2.781 1.00 24.54 H new ATOM 0 HB1 ALA A 63 -0.857 13.239 4.311 1.00 52.22 H new ATOM 0 HB2 ALA A 63 -2.073 12.026 4.779 1.00 52.22 H new ATOM 0 HB3 ALA A 63 -0.586 11.519 3.942 1.00 52.22 H new ATOM 931 N LEU A 64 -0.448 11.997 0.881 1.00 73.42 N ATOM 932 CA LEU A 64 0.475 12.300 -0.227 1.00 23.40 C ATOM 933 C LEU A 64 -0.254 12.965 -1.410 1.00 35.40 C ATOM 934 O LEU A 64 0.378 13.528 -2.305 1.00 63.21 O ATOM 935 CB LEU A 64 1.158 11.013 -0.714 1.00 3.45 C ATOM 936 CG LEU A 64 1.943 10.234 0.354 1.00 54.14 C ATOM 937 CD1 LEU A 64 2.474 8.923 -0.219 1.00 51.21 C ATOM 938 CD2 LEU A 64 3.086 11.078 0.915 1.00 41.55 C ATOM 0 H LEU A 64 -0.596 11.000 1.040 1.00 73.42 H new ATOM 0 HA LEU A 64 1.222 12.997 0.153 1.00 23.40 H new ATOM 0 HB2 LEU A 64 0.397 10.355 -1.132 1.00 3.45 H new ATOM 0 HB3 LEU A 64 1.839 11.269 -1.526 1.00 3.45 H new ATOM 0 HG LEU A 64 1.261 10.001 1.172 1.00 54.14 H new ATOM 0 HD11 LEU A 64 3.027 8.386 0.552 1.00 51.21 H new ATOM 0 HD12 LEU A 64 1.639 8.311 -0.560 1.00 51.21 H new ATOM 0 HD13 LEU A 64 3.136 9.135 -1.059 1.00 51.21 H new ATOM 0 HD21 LEU A 64 3.626 10.505 1.669 1.00 41.55 H new ATOM 0 HD22 LEU A 64 3.767 11.350 0.109 1.00 41.55 H new ATOM 0 HD23 LEU A 64 2.681 11.983 1.369 1.00 41.55 H new ATOM 950 N ALA A 65 -1.580 12.857 -1.425 1.00 62.15 N ATOM 951 CA ALA A 65 -2.404 13.483 -2.465 1.00 61.51 C ATOM 952 C ALA A 65 -3.021 14.803 -1.975 1.00 33.42 C ATOM 953 O ALA A 65 -3.248 15.727 -2.761 1.00 3.24 O ATOM 954 CB ALA A 65 -3.498 12.520 -2.908 1.00 21.44 C ATOM 0 H ALA A 65 -2.113 12.339 -0.726 1.00 62.15 H new ATOM 0 HA ALA A 65 -1.761 13.714 -3.314 1.00 61.51 H new ATOM 0 HB1 ALA A 65 -4.106 12.991 -3.680 1.00 21.44 H new ATOM 0 HB2 ALA A 65 -3.044 11.612 -3.306 1.00 21.44 H new ATOM 0 HB3 ALA A 65 -4.127 12.267 -2.055 1.00 21.44 H new