USER MOD reduce.3.24.130724 H: found=0, std=0, add=551, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 548 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 ASN : amide:sc= 0.052 X(o=0.052,f=-0.021) USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.0592 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= -0.087 X(o=-0.087,f=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 CYS SG : rot -139:sc= 1.23 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= -0.113 X(o=-0.11,f=-0.11) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 HIS : no HD1:sc= -4.24! C(o=-4.2!,f=-6.1!) USER MOD Single : A 45 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0753) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= 0.326 X(o=0.33,f=0) USER MOD Single : A 56 HIS : no HD1:sc= 0.265 K(o=0.27,f=-4.1!) USER MOD Single : A 57 HIS : no HD1:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 HIS : no HD1:sc= -0.927 K(o=-0.93,f=-2!) USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=-0.0046) USER MOD ----------------------------------------------------------------- ATOM 83 N VAL A 2 -1.922 16.838 2.181 1.00 0.00 N ATOM 84 CA VAL A 2 -2.585 16.055 3.217 1.00 0.00 C ATOM 85 C VAL A 2 -2.018 14.642 3.285 1.00 0.00 C ATOM 86 O VAL A 2 -1.947 13.940 2.277 1.00 0.00 O ATOM 87 CB VAL A 2 -4.104 15.976 2.975 1.00 0.00 C ATOM 88 CG1 VAL A 2 -4.758 15.043 3.983 1.00 0.00 C ATOM 89 CG2 VAL A 2 -4.727 17.362 3.038 1.00 0.00 C ATOM 0 HA VAL A 2 -2.402 16.563 4.164 1.00 0.00 H new ATOM 0 HB VAL A 2 -4.274 15.571 1.977 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -5.831 15.000 3.796 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -4.332 14.044 3.884 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -4.580 15.415 4.992 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -5.800 17.287 2.865 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -4.548 17.797 4.021 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -4.280 17.997 2.273 1.00 0.00 H new ATOM 99 N LYS A 3 -1.615 14.229 4.482 1.00 0.00 N ATOM 100 CA LYS A 3 -1.054 12.899 4.685 1.00 0.00 C ATOM 101 C LYS A 3 -2.161 11.866 4.874 1.00 0.00 C ATOM 102 O LYS A 3 -3.203 12.157 5.462 1.00 0.00 O ATOM 103 CB LYS A 3 -0.125 12.894 5.901 1.00 0.00 C ATOM 104 CG LYS A 3 0.776 11.673 5.972 1.00 0.00 C ATOM 105 CD LYS A 3 1.171 11.355 7.405 1.00 0.00 C ATOM 106 CE LYS A 3 2.385 12.162 7.840 1.00 0.00 C ATOM 107 NZ LYS A 3 2.464 12.288 9.322 1.00 0.00 N ATOM 0 H LYS A 3 -1.667 14.798 5.327 1.00 0.00 H new ATOM 0 HA LYS A 3 -0.480 12.634 3.797 1.00 0.00 H new ATOM 0 HB2 LYS A 3 0.494 13.791 5.879 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -0.727 12.944 6.808 1.00 0.00 H new ATOM 0 HG2 LYS A 3 0.264 10.815 5.536 1.00 0.00 H new ATOM 0 HG3 LYS A 3 1.672 11.846 5.376 1.00 0.00 H new ATOM 0 HD2 LYS A 3 0.334 11.568 8.070 1.00 0.00 H new ATOM 0 HD3 LYS A 3 1.388 10.291 7.496 1.00 0.00 H new ATOM 0 HE2 LYS A 3 3.291 11.685 7.467 1.00 0.00 H new ATOM 0 HE3 LYS A 3 2.341 13.155 7.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 3.304 12.844 9.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 1.611 12.766 9.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 2.532 11.342 9.748 1.00 0.00 H new ATOM 121 N LEU A 4 -1.927 10.658 4.373 1.00 0.00 N ATOM 122 CA LEU A 4 -2.904 9.580 4.487 1.00 0.00 C ATOM 123 C LEU A 4 -2.293 8.362 5.172 1.00 0.00 C ATOM 124 O LEU A 4 -1.255 7.853 4.748 1.00 0.00 O ATOM 125 CB LEU A 4 -3.429 9.192 3.104 1.00 0.00 C ATOM 126 CG LEU A 4 -4.008 10.329 2.262 1.00 0.00 C ATOM 127 CD1 LEU A 4 -4.090 9.922 0.799 1.00 0.00 C ATOM 128 CD2 LEU A 4 -5.380 10.733 2.783 1.00 0.00 C ATOM 0 H LEU A 4 -1.070 10.400 3.884 1.00 0.00 H new ATOM 0 HA LEU A 4 -3.734 9.938 5.096 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -2.615 8.731 2.545 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -4.200 8.432 3.230 1.00 0.00 H new ATOM 0 HG LEU A 4 -3.343 11.189 2.342 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -4.504 10.744 0.215 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -3.092 9.683 0.431 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -4.732 9.047 0.700 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -5.777 11.543 2.172 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -6.054 9.878 2.734 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -5.293 11.067 3.817 1.00 0.00 H new ATOM 140 N PHE A 5 -2.944 7.897 6.233 1.00 0.00 N ATOM 141 CA PHE A 5 -2.466 6.737 6.976 1.00 0.00 C ATOM 142 C PHE A 5 -3.018 5.445 6.382 1.00 0.00 C ATOM 143 O PHE A 5 -4.232 5.264 6.282 1.00 0.00 O ATOM 144 CB PHE A 5 -2.867 6.847 8.449 1.00 0.00 C ATOM 145 CG PHE A 5 -2.651 5.580 9.225 1.00 0.00 C ATOM 146 CD1 PHE A 5 -1.425 4.935 9.198 1.00 0.00 C ATOM 147 CD2 PHE A 5 -3.675 5.033 9.982 1.00 0.00 C ATOM 148 CE1 PHE A 5 -1.223 3.769 9.911 1.00 0.00 C ATOM 149 CE2 PHE A 5 -3.479 3.867 10.699 1.00 0.00 C ATOM 150 CZ PHE A 5 -2.252 3.234 10.662 1.00 0.00 C ATOM 0 H PHE A 5 -3.804 8.306 6.598 1.00 0.00 H new ATOM 0 HA PHE A 5 -1.379 6.714 6.904 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -2.295 7.650 8.914 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -3.919 7.127 8.511 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -0.617 5.349 8.612 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -4.637 5.523 10.012 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -0.262 3.276 9.881 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -4.284 3.452 11.287 1.00 0.00 H new ATOM 0 HZ PHE A 5 -2.097 2.322 11.219 1.00 0.00 H new ATOM 160 N ILE A 6 -2.118 4.549 5.989 1.00 0.00 N ATOM 161 CA ILE A 6 -2.514 3.274 5.406 1.00 0.00 C ATOM 162 C ILE A 6 -1.968 2.105 6.218 1.00 0.00 C ATOM 163 O ILE A 6 -0.760 1.985 6.419 1.00 0.00 O ATOM 164 CB ILE A 6 -2.027 3.145 3.950 1.00 0.00 C ATOM 165 CG1 ILE A 6 -2.441 4.375 3.140 1.00 0.00 C ATOM 166 CG2 ILE A 6 -2.579 1.877 3.317 1.00 0.00 C ATOM 167 CD1 ILE A 6 -1.937 4.358 1.714 1.00 0.00 C ATOM 0 H ILE A 6 -1.110 4.683 6.064 1.00 0.00 H new ATOM 0 HA ILE A 6 -3.604 3.246 5.420 1.00 0.00 H new ATOM 0 HB ILE A 6 -0.939 3.083 3.951 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -3.529 4.445 3.131 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -2.068 5.270 3.638 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -2.226 1.800 2.289 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -2.239 1.010 3.883 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -3.668 1.911 3.325 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -2.269 5.260 1.200 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -0.848 4.320 1.714 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -2.331 3.482 1.199 1.00 0.00 H new ATOM 179 N GLY A 7 -2.868 1.242 6.682 1.00 0.00 N ATOM 180 CA GLY A 7 -2.457 0.092 7.465 1.00 0.00 C ATOM 181 C GLY A 7 -2.808 -1.222 6.795 1.00 0.00 C ATOM 182 O GLY A 7 -3.449 -1.238 5.745 1.00 0.00 O ATOM 0 H GLY A 7 -3.874 1.319 6.529 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -1.381 0.135 7.631 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.933 0.135 8.445 1.00 0.00 H new ATOM 186 N ASN A 8 -2.385 -2.326 7.402 1.00 0.00 N ATOM 187 CA ASN A 8 -2.657 -3.650 6.856 1.00 0.00 C ATOM 188 C ASN A 8 -2.095 -3.782 5.443 1.00 0.00 C ATOM 189 O ASN A 8 -2.794 -4.207 4.522 1.00 0.00 O ATOM 190 CB ASN A 8 -4.162 -3.922 6.845 1.00 0.00 C ATOM 191 CG ASN A 8 -4.484 -5.399 6.959 1.00 0.00 C ATOM 192 OD1 ASN A 8 -5.242 -5.815 7.836 1.00 0.00 O ATOM 193 ND2 ASN A 8 -3.908 -6.200 6.071 1.00 0.00 N ATOM 0 H ASN A 8 -1.853 -2.330 8.272 1.00 0.00 H new ATOM 0 HA ASN A 8 -2.167 -4.385 7.494 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -4.631 -3.386 7.670 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -4.593 -3.529 5.924 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -4.087 -7.204 6.098 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -3.287 -5.812 5.361 1.00 0.00 H new ATOM 200 N LEU A 9 -0.829 -3.415 5.279 1.00 0.00 N ATOM 201 CA LEU A 9 -0.172 -3.492 3.979 1.00 0.00 C ATOM 202 C LEU A 9 0.632 -4.782 3.851 1.00 0.00 C ATOM 203 O LEU A 9 1.295 -5.225 4.789 1.00 0.00 O ATOM 204 CB LEU A 9 0.744 -2.284 3.776 1.00 0.00 C ATOM 205 CG LEU A 9 0.046 -0.943 3.549 1.00 0.00 C ATOM 206 CD1 LEU A 9 1.067 0.177 3.430 1.00 0.00 C ATOM 207 CD2 LEU A 9 -0.832 -1.001 2.307 1.00 0.00 C ATOM 0 H LEU A 9 -0.237 -3.061 6.030 1.00 0.00 H new ATOM 0 HA LEU A 9 -0.943 -3.488 3.209 1.00 0.00 H new ATOM 0 HB2 LEU A 9 1.389 -2.192 4.650 1.00 0.00 H new ATOM 0 HB3 LEU A 9 1.391 -2.483 2.922 1.00 0.00 H new ATOM 0 HG LEU A 9 -0.590 -0.737 4.410 1.00 0.00 H new ATOM 0 HD11 LEU A 9 0.551 1.124 3.269 1.00 0.00 H new ATOM 0 HD12 LEU A 9 1.653 0.234 4.348 1.00 0.00 H new ATOM 0 HD13 LEU A 9 1.730 -0.023 2.588 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -1.321 -0.038 2.162 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -0.217 -1.231 1.437 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -1.588 -1.776 2.432 1.00 0.00 H new ATOM 219 N PRO A 10 0.575 -5.399 2.661 1.00 0.00 N ATOM 220 CA PRO A 10 1.294 -6.646 2.381 1.00 0.00 C ATOM 221 C PRO A 10 2.770 -6.408 2.079 1.00 0.00 C ATOM 222 O PRO A 10 3.248 -5.274 2.125 1.00 0.00 O ATOM 223 CB PRO A 10 0.578 -7.199 1.147 1.00 0.00 C ATOM 224 CG PRO A 10 0.038 -5.997 0.452 1.00 0.00 C ATOM 225 CD PRO A 10 -0.196 -4.928 1.498 1.00 0.00 C ATOM 0 HA PRO A 10 1.284 -7.323 3.235 1.00 0.00 H new ATOM 0 HB2 PRO A 10 1.264 -7.752 0.506 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -0.220 -7.886 1.427 1.00 0.00 H new ATOM 0 HG2 PRO A 10 0.739 -5.645 -0.304 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -0.892 -6.238 -0.063 1.00 0.00 H new ATOM 0 HD2 PRO A 10 0.150 -3.952 1.157 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -1.255 -4.825 1.735 1.00 0.00 H new ATOM 233 N ARG A 11 3.487 -7.484 1.770 1.00 0.00 N ATOM 234 CA ARG A 11 4.908 -7.391 1.461 1.00 0.00 C ATOM 235 C ARG A 11 5.124 -7.026 -0.005 1.00 0.00 C ATOM 236 O ARG A 11 6.117 -6.390 -0.356 1.00 0.00 O ATOM 237 CB ARG A 11 5.607 -8.715 1.775 1.00 0.00 C ATOM 238 CG ARG A 11 7.048 -8.773 1.293 1.00 0.00 C ATOM 239 CD ARG A 11 8.008 -8.235 2.342 1.00 0.00 C ATOM 240 NE ARG A 11 8.460 -9.278 3.258 1.00 0.00 N ATOM 241 CZ ARG A 11 9.132 -9.034 4.377 1.00 0.00 C ATOM 242 NH1 ARG A 11 9.427 -7.787 4.717 1.00 0.00 N ATOM 243 NH2 ARG A 11 9.509 -10.037 5.159 1.00 0.00 N ATOM 0 H ARG A 11 3.107 -8.430 1.727 1.00 0.00 H new ATOM 0 HA ARG A 11 5.338 -6.604 2.081 1.00 0.00 H new ATOM 0 HB2 ARG A 11 5.586 -8.880 2.852 1.00 0.00 H new ATOM 0 HB3 ARG A 11 5.046 -9.530 1.317 1.00 0.00 H new ATOM 0 HG2 ARG A 11 7.311 -9.803 1.052 1.00 0.00 H new ATOM 0 HG3 ARG A 11 7.149 -8.195 0.375 1.00 0.00 H new ATOM 0 HD2 ARG A 11 8.871 -7.788 1.848 1.00 0.00 H new ATOM 0 HD3 ARG A 11 7.519 -7.443 2.908 1.00 0.00 H new ATOM 0 HE ARG A 11 8.248 -10.248 3.026 1.00 0.00 H new ATOM 0 HH11 ARG A 11 9.138 -7.013 4.119 1.00 0.00 H new ATOM 0 HH12 ARG A 11 9.943 -7.601 5.577 1.00 0.00 H new ATOM 0 HH21 ARG A 11 9.283 -10.998 4.901 1.00 0.00 H new ATOM 0 HH22 ARG A 11 10.025 -9.848 6.018 1.00 0.00 H new ATOM 257 N GLU A 12 4.186 -7.433 -0.855 1.00 0.00 N ATOM 258 CA GLU A 12 4.274 -7.149 -2.282 1.00 0.00 C ATOM 259 C GLU A 12 4.140 -5.652 -2.549 1.00 0.00 C ATOM 260 O GLU A 12 4.785 -5.110 -3.446 1.00 0.00 O ATOM 261 CB GLU A 12 3.191 -7.914 -3.045 1.00 0.00 C ATOM 262 CG GLU A 12 3.543 -9.368 -3.308 1.00 0.00 C ATOM 263 CD GLU A 12 3.312 -10.252 -2.097 1.00 0.00 C ATOM 264 OE1 GLU A 12 2.295 -10.051 -1.401 1.00 0.00 O ATOM 265 OE2 GLU A 12 4.149 -11.144 -1.847 1.00 0.00 O ATOM 0 H GLU A 12 3.357 -7.960 -0.580 1.00 0.00 H new ATOM 0 HA GLU A 12 5.253 -7.476 -2.631 1.00 0.00 H new ATOM 0 HB2 GLU A 12 2.261 -7.871 -2.479 1.00 0.00 H new ATOM 0 HB3 GLU A 12 3.008 -7.415 -3.997 1.00 0.00 H new ATOM 0 HG2 GLU A 12 2.946 -9.737 -4.142 1.00 0.00 H new ATOM 0 HG3 GLU A 12 4.588 -9.436 -3.609 1.00 0.00 H new ATOM 272 N ALA A 13 3.296 -4.991 -1.763 1.00 0.00 N ATOM 273 CA ALA A 13 3.076 -3.558 -1.913 1.00 0.00 C ATOM 274 C ALA A 13 4.400 -2.805 -1.991 1.00 0.00 C ATOM 275 O ALA A 13 5.353 -3.128 -1.281 1.00 0.00 O ATOM 276 CB ALA A 13 2.234 -3.030 -0.761 1.00 0.00 C ATOM 0 H ALA A 13 2.754 -5.425 -1.016 1.00 0.00 H new ATOM 0 HA ALA A 13 2.538 -3.394 -2.847 1.00 0.00 H new ATOM 0 HB1 ALA A 13 2.078 -1.959 -0.886 1.00 0.00 H new ATOM 0 HB2 ALA A 13 1.270 -3.539 -0.752 1.00 0.00 H new ATOM 0 HB3 ALA A 13 2.750 -3.214 0.181 1.00 0.00 H new ATOM 282 N THR A 14 4.454 -1.800 -2.859 1.00 0.00 N ATOM 283 CA THR A 14 5.662 -1.002 -3.031 1.00 0.00 C ATOM 284 C THR A 14 5.345 0.488 -3.006 1.00 0.00 C ATOM 285 O THR A 14 4.249 0.905 -3.381 1.00 0.00 O ATOM 286 CB THR A 14 6.375 -1.342 -4.354 1.00 0.00 C ATOM 287 OG1 THR A 14 5.482 -1.147 -5.456 1.00 0.00 O ATOM 288 CG2 THR A 14 6.875 -2.778 -4.346 1.00 0.00 C ATOM 0 H THR A 14 3.675 -1.519 -3.454 1.00 0.00 H new ATOM 0 HA THR A 14 6.322 -1.244 -2.198 1.00 0.00 H new ATOM 0 HB THR A 14 7.232 -0.677 -4.461 1.00 0.00 H new ATOM 0 HG1 THR A 14 5.943 -1.364 -6.293 1.00 0.00 H new ATOM 0 HG21 THR A 14 7.375 -2.995 -5.290 1.00 0.00 H new ATOM 0 HG22 THR A 14 7.578 -2.914 -3.524 1.00 0.00 H new ATOM 0 HG23 THR A 14 6.031 -3.456 -4.218 1.00 0.00 H new ATOM 296 N GLU A 15 6.311 1.287 -2.562 1.00 0.00 N ATOM 297 CA GLU A 15 6.132 2.732 -2.488 1.00 0.00 C ATOM 298 C GLU A 15 5.455 3.262 -3.749 1.00 0.00 C ATOM 299 O GLU A 15 4.604 4.149 -3.682 1.00 0.00 O ATOM 300 CB GLU A 15 7.482 3.426 -2.292 1.00 0.00 C ATOM 301 CG GLU A 15 7.903 3.537 -0.836 1.00 0.00 C ATOM 302 CD GLU A 15 9.403 3.685 -0.673 1.00 0.00 C ATOM 303 OE1 GLU A 15 10.125 2.692 -0.904 1.00 0.00 O ATOM 304 OE2 GLU A 15 9.855 4.792 -0.313 1.00 0.00 O ATOM 0 H GLU A 15 7.224 0.958 -2.249 1.00 0.00 H new ATOM 0 HA GLU A 15 5.491 2.949 -1.633 1.00 0.00 H new ATOM 0 HB2 GLU A 15 8.247 2.877 -2.842 1.00 0.00 H new ATOM 0 HB3 GLU A 15 7.434 4.425 -2.725 1.00 0.00 H new ATOM 0 HG2 GLU A 15 7.406 4.394 -0.382 1.00 0.00 H new ATOM 0 HG3 GLU A 15 7.568 2.651 -0.296 1.00 0.00 H new ATOM 311 N GLN A 16 5.839 2.712 -4.896 1.00 0.00 N ATOM 312 CA GLN A 16 5.270 3.129 -6.172 1.00 0.00 C ATOM 313 C GLN A 16 3.808 2.708 -6.280 1.00 0.00 C ATOM 314 O GLN A 16 2.914 3.550 -6.349 1.00 0.00 O ATOM 315 CB GLN A 16 6.072 2.535 -7.331 1.00 0.00 C ATOM 316 CG GLN A 16 5.433 2.762 -8.692 1.00 0.00 C ATOM 317 CD GLN A 16 6.453 2.821 -9.812 1.00 0.00 C ATOM 318 OE1 GLN A 16 6.851 1.792 -10.360 1.00 0.00 O ATOM 319 NE2 GLN A 16 6.881 4.029 -10.160 1.00 0.00 N ATOM 0 H GLN A 16 6.542 1.976 -4.968 1.00 0.00 H new ATOM 0 HA GLN A 16 5.320 4.217 -6.225 1.00 0.00 H new ATOM 0 HB2 GLN A 16 7.071 2.970 -7.331 1.00 0.00 H new ATOM 0 HB3 GLN A 16 6.191 1.464 -7.169 1.00 0.00 H new ATOM 0 HG2 GLN A 16 4.723 1.960 -8.894 1.00 0.00 H new ATOM 0 HG3 GLN A 16 4.866 3.693 -8.672 1.00 0.00 H new ATOM 0 HE21 GLN A 16 6.524 4.855 -9.679 1.00 0.00 H new ATOM 0 HE22 GLN A 16 7.566 4.131 -10.908 1.00 0.00 H new ATOM 328 N GLU A 17 3.574 1.399 -6.294 1.00 0.00 N ATOM 329 CA GLU A 17 2.221 0.867 -6.395 1.00 0.00 C ATOM 330 C GLU A 17 1.239 1.722 -5.599 1.00 0.00 C ATOM 331 O GLU A 17 0.245 2.210 -6.138 1.00 0.00 O ATOM 332 CB GLU A 17 2.178 -0.578 -5.895 1.00 0.00 C ATOM 333 CG GLU A 17 2.812 -1.573 -6.853 1.00 0.00 C ATOM 334 CD GLU A 17 1.901 -1.928 -8.012 1.00 0.00 C ATOM 335 OE1 GLU A 17 0.671 -1.762 -7.873 1.00 0.00 O ATOM 336 OE2 GLU A 17 2.419 -2.372 -9.058 1.00 0.00 O ATOM 0 H GLU A 17 4.304 0.689 -6.237 1.00 0.00 H new ATOM 0 HA GLU A 17 1.927 0.889 -7.444 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.688 -0.636 -4.934 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.140 -0.863 -5.723 1.00 0.00 H new ATOM 0 HG2 GLU A 17 3.742 -1.157 -7.241 1.00 0.00 H new ATOM 0 HG3 GLU A 17 3.072 -2.481 -6.309 1.00 0.00 H new ATOM 343 N ILE A 18 1.526 1.898 -4.313 1.00 0.00 N ATOM 344 CA ILE A 18 0.669 2.694 -3.442 1.00 0.00 C ATOM 345 C ILE A 18 0.542 4.124 -3.955 1.00 0.00 C ATOM 346 O ILE A 18 -0.561 4.663 -4.053 1.00 0.00 O ATOM 347 CB ILE A 18 1.206 2.723 -1.999 1.00 0.00 C ATOM 348 CG1 ILE A 18 1.285 1.304 -1.432 1.00 0.00 C ATOM 349 CG2 ILE A 18 0.325 3.602 -1.124 1.00 0.00 C ATOM 350 CD1 ILE A 18 0.003 0.517 -1.594 1.00 0.00 C ATOM 0 H ILE A 18 2.344 1.501 -3.852 1.00 0.00 H new ATOM 0 HA ILE A 18 -0.313 2.221 -3.446 1.00 0.00 H new ATOM 0 HB ILE A 18 2.211 3.145 -2.009 1.00 0.00 H new ATOM 0 HG12 ILE A 18 2.096 0.768 -1.926 1.00 0.00 H new ATOM 0 HG13 ILE A 18 1.538 1.358 -0.373 1.00 0.00 H new ATOM 0 HG21 ILE A 18 0.717 3.613 -0.107 1.00 0.00 H new ATOM 0 HG22 ILE A 18 0.316 4.617 -1.520 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -0.691 3.207 -1.117 1.00 0.00 H new ATOM 0 HD11 ILE A 18 0.131 -0.479 -1.170 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -0.807 1.030 -1.076 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -0.240 0.432 -2.653 1.00 0.00 H new ATOM 362 N ARG A 19 1.677 4.734 -4.281 1.00 0.00 N ATOM 363 CA ARG A 19 1.692 6.102 -4.784 1.00 0.00 C ATOM 364 C ARG A 19 0.756 6.252 -5.980 1.00 0.00 C ATOM 365 O ARG A 19 -0.164 7.069 -5.962 1.00 0.00 O ATOM 366 CB ARG A 19 3.113 6.506 -5.181 1.00 0.00 C ATOM 367 CG ARG A 19 3.206 7.903 -5.772 1.00 0.00 C ATOM 368 CD ARG A 19 4.558 8.143 -6.425 1.00 0.00 C ATOM 369 NE ARG A 19 4.672 9.493 -6.970 1.00 0.00 N ATOM 370 CZ ARG A 19 5.645 9.877 -7.788 1.00 0.00 C ATOM 371 NH1 ARG A 19 6.585 9.016 -8.154 1.00 0.00 N ATOM 372 NH2 ARG A 19 5.680 11.123 -8.241 1.00 0.00 N ATOM 0 H ARG A 19 2.598 4.302 -4.206 1.00 0.00 H new ATOM 0 HA ARG A 19 1.344 6.759 -3.987 1.00 0.00 H new ATOM 0 HB2 ARG A 19 3.757 6.448 -4.303 1.00 0.00 H new ATOM 0 HB3 ARG A 19 3.497 5.788 -5.906 1.00 0.00 H new ATOM 0 HG2 ARG A 19 2.415 8.041 -6.509 1.00 0.00 H new ATOM 0 HG3 ARG A 19 3.043 8.642 -4.988 1.00 0.00 H new ATOM 0 HD2 ARG A 19 5.348 7.980 -5.692 1.00 0.00 H new ATOM 0 HD3 ARG A 19 4.709 7.416 -7.223 1.00 0.00 H new ATOM 0 HE ARG A 19 3.965 10.179 -6.708 1.00 0.00 H new ATOM 0 HH11 ARG A 19 6.561 8.057 -7.807 1.00 0.00 H new ATOM 0 HH12 ARG A 19 7.332 9.313 -8.782 1.00 0.00 H new ATOM 0 HH21 ARG A 19 4.959 11.788 -7.961 1.00 0.00 H new ATOM 0 HH22 ARG A 19 6.428 11.416 -8.869 1.00 0.00 H new ATOM 386 N SER A 20 0.998 5.457 -7.018 1.00 0.00 N ATOM 387 CA SER A 20 0.180 5.504 -8.224 1.00 0.00 C ATOM 388 C SER A 20 -1.304 5.517 -7.874 1.00 0.00 C ATOM 389 O SER A 20 -2.046 6.406 -8.295 1.00 0.00 O ATOM 390 CB SER A 20 0.493 4.308 -9.125 1.00 0.00 C ATOM 391 OG SER A 20 0.032 4.530 -10.446 1.00 0.00 O ATOM 0 H SER A 20 1.754 4.773 -7.048 1.00 0.00 H new ATOM 0 HA SER A 20 0.417 6.424 -8.758 1.00 0.00 H new ATOM 0 HB2 SER A 20 1.568 4.129 -9.137 1.00 0.00 H new ATOM 0 HB3 SER A 20 0.025 3.411 -8.719 1.00 0.00 H new ATOM 0 HG SER A 20 0.246 3.752 -11.002 1.00 0.00 H new ATOM 397 N LEU A 21 -1.731 4.526 -7.099 1.00 0.00 N ATOM 398 CA LEU A 21 -3.128 4.421 -6.691 1.00 0.00 C ATOM 399 C LEU A 21 -3.717 5.800 -6.407 1.00 0.00 C ATOM 400 O LEU A 21 -4.840 6.102 -6.810 1.00 0.00 O ATOM 401 CB LEU A 21 -3.252 3.536 -5.450 1.00 0.00 C ATOM 402 CG LEU A 21 -3.173 2.028 -5.691 1.00 0.00 C ATOM 403 CD1 LEU A 21 -3.038 1.283 -4.372 1.00 0.00 C ATOM 404 CD2 LEU A 21 -4.398 1.545 -6.454 1.00 0.00 C ATOM 0 H LEU A 21 -1.130 3.784 -6.741 1.00 0.00 H new ATOM 0 HA LEU A 21 -3.687 3.968 -7.510 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -2.464 3.814 -4.750 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.202 3.757 -4.964 1.00 0.00 H new ATOM 0 HG LEU A 21 -2.289 1.822 -6.294 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.983 0.211 -4.563 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.131 1.607 -3.862 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.903 1.496 -3.744 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.325 0.470 -6.617 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.296 1.764 -5.877 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -4.452 2.055 -7.416 1.00 0.00 H new ATOM 416 N PHE A 22 -2.950 6.633 -5.711 1.00 0.00 N ATOM 417 CA PHE A 22 -3.395 7.980 -5.374 1.00 0.00 C ATOM 418 C PHE A 22 -3.200 8.928 -6.554 1.00 0.00 C ATOM 419 O PHE A 22 -3.983 9.857 -6.751 1.00 0.00 O ATOM 420 CB PHE A 22 -2.632 8.502 -4.154 1.00 0.00 C ATOM 421 CG PHE A 22 -3.006 7.813 -2.873 1.00 0.00 C ATOM 422 CD1 PHE A 22 -4.114 8.223 -2.149 1.00 0.00 C ATOM 423 CD2 PHE A 22 -2.251 6.755 -2.394 1.00 0.00 C ATOM 424 CE1 PHE A 22 -4.460 7.591 -0.970 1.00 0.00 C ATOM 425 CE2 PHE A 22 -2.592 6.120 -1.215 1.00 0.00 C ATOM 426 CZ PHE A 22 -3.699 6.538 -0.502 1.00 0.00 C ATOM 0 H PHE A 22 -2.018 6.399 -5.370 1.00 0.00 H new ATOM 0 HA PHE A 22 -4.458 7.936 -5.137 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -1.562 8.379 -4.324 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -2.817 9.571 -4.050 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -4.714 9.045 -2.510 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -1.386 6.423 -2.948 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -5.326 7.921 -0.414 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -1.994 5.298 -0.851 1.00 0.00 H new ATOM 0 HZ PHE A 22 -3.969 6.043 0.419 1.00 0.00 H new ATOM 436 N GLU A 23 -2.151 8.686 -7.333 1.00 0.00 N ATOM 437 CA GLU A 23 -1.853 9.519 -8.492 1.00 0.00 C ATOM 438 C GLU A 23 -3.055 9.598 -9.429 1.00 0.00 C ATOM 439 O GLU A 23 -3.167 10.522 -10.234 1.00 0.00 O ATOM 440 CB GLU A 23 -0.640 8.968 -9.246 1.00 0.00 C ATOM 441 CG GLU A 23 0.653 9.039 -8.452 1.00 0.00 C ATOM 442 CD GLU A 23 1.884 9.005 -9.337 1.00 0.00 C ATOM 443 OE1 GLU A 23 1.820 9.538 -10.464 1.00 0.00 O ATOM 444 OE2 GLU A 23 2.911 8.443 -8.902 1.00 0.00 O ATOM 0 H GLU A 23 -1.494 7.921 -7.183 1.00 0.00 H new ATOM 0 HA GLU A 23 -1.625 10.524 -8.136 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -0.833 7.930 -9.519 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -0.517 9.524 -10.175 1.00 0.00 H new ATOM 0 HG2 GLU A 23 0.661 9.954 -7.860 1.00 0.00 H new ATOM 0 HG3 GLU A 23 0.691 8.205 -7.751 1.00 0.00 H new ATOM 451 N GLN A 24 -3.949 8.621 -9.318 1.00 0.00 N ATOM 452 CA GLN A 24 -5.142 8.579 -10.156 1.00 0.00 C ATOM 453 C GLN A 24 -6.191 9.568 -9.659 1.00 0.00 C ATOM 454 O GLN A 24 -7.048 10.015 -10.422 1.00 0.00 O ATOM 455 CB GLN A 24 -5.726 7.166 -10.178 1.00 0.00 C ATOM 456 CG GLN A 24 -4.810 6.138 -10.821 1.00 0.00 C ATOM 457 CD GLN A 24 -5.433 4.757 -10.883 1.00 0.00 C ATOM 458 OE1 GLN A 24 -5.855 4.301 -11.946 1.00 0.00 O ATOM 459 NE2 GLN A 24 -5.493 4.083 -9.740 1.00 0.00 N ATOM 0 H GLN A 24 -3.870 7.848 -8.657 1.00 0.00 H new ATOM 0 HA GLN A 24 -4.854 8.861 -11.169 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -5.945 6.856 -9.156 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -6.674 7.182 -10.716 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -4.557 6.464 -11.830 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -3.877 6.087 -10.259 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -5.131 4.500 -8.882 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -5.901 3.148 -9.720 1.00 0.00 H new ATOM 468 N TYR A 25 -6.118 9.907 -8.377 1.00 0.00 N ATOM 469 CA TYR A 25 -7.063 10.841 -7.778 1.00 0.00 C ATOM 470 C TYR A 25 -6.354 12.107 -7.306 1.00 0.00 C ATOM 471 O TYR A 25 -6.961 12.978 -6.685 1.00 0.00 O ATOM 472 CB TYR A 25 -7.789 10.182 -6.603 1.00 0.00 C ATOM 473 CG TYR A 25 -8.353 8.818 -6.928 1.00 0.00 C ATOM 474 CD1 TYR A 25 -7.559 7.680 -6.852 1.00 0.00 C ATOM 475 CD2 TYR A 25 -9.680 8.666 -7.311 1.00 0.00 C ATOM 476 CE1 TYR A 25 -8.070 6.431 -7.149 1.00 0.00 C ATOM 477 CE2 TYR A 25 -10.200 7.421 -7.608 1.00 0.00 C ATOM 478 CZ TYR A 25 -9.391 6.307 -7.527 1.00 0.00 C ATOM 479 OH TYR A 25 -9.904 5.065 -7.822 1.00 0.00 O ATOM 0 H TYR A 25 -5.414 9.549 -7.732 1.00 0.00 H new ATOM 0 HA TYR A 25 -7.793 11.117 -8.539 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -7.098 10.090 -5.765 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -8.600 10.833 -6.277 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -6.525 7.773 -6.556 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -10.316 9.536 -7.378 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -7.439 5.557 -7.086 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -11.234 7.321 -7.902 1.00 0.00 H new ATOM 0 HH TYR A 25 -10.848 5.151 -8.069 1.00 0.00 H new ATOM 489 N GLY A 26 -5.062 12.200 -7.608 1.00 0.00 N ATOM 490 CA GLY A 26 -4.290 13.362 -7.208 1.00 0.00 C ATOM 491 C GLY A 26 -2.805 13.069 -7.120 1.00 0.00 C ATOM 492 O GLY A 26 -2.397 12.053 -6.556 1.00 0.00 O ATOM 0 H GLY A 26 -4.537 11.492 -8.122 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -4.456 14.168 -7.922 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -4.646 13.715 -6.240 1.00 0.00 H new ATOM 496 N LYS A 27 -1.993 13.960 -7.679 1.00 0.00 N ATOM 497 CA LYS A 27 -0.545 13.793 -7.662 1.00 0.00 C ATOM 498 C LYS A 27 -0.035 13.611 -6.235 1.00 0.00 C ATOM 499 O LYS A 27 -0.366 14.393 -5.343 1.00 0.00 O ATOM 500 CB LYS A 27 0.137 15.001 -8.308 1.00 0.00 C ATOM 501 CG LYS A 27 1.615 14.789 -8.585 1.00 0.00 C ATOM 502 CD LYS A 27 2.254 16.032 -9.181 1.00 0.00 C ATOM 503 CE LYS A 27 2.553 17.073 -8.113 1.00 0.00 C ATOM 504 NZ LYS A 27 3.853 16.814 -7.435 1.00 0.00 N ATOM 0 H LYS A 27 -2.314 14.806 -8.150 1.00 0.00 H new ATOM 0 HA LYS A 27 -0.301 12.898 -8.234 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -0.369 15.236 -9.244 1.00 0.00 H new ATOM 0 HB3 LYS A 27 0.019 15.866 -7.656 1.00 0.00 H new ATOM 0 HG2 LYS A 27 2.125 14.525 -7.659 1.00 0.00 H new ATOM 0 HG3 LYS A 27 1.741 13.950 -9.269 1.00 0.00 H new ATOM 0 HD2 LYS A 27 3.177 15.758 -9.692 1.00 0.00 H new ATOM 0 HD3 LYS A 27 1.589 16.460 -9.931 1.00 0.00 H new ATOM 0 HE2 LYS A 27 2.571 18.064 -8.567 1.00 0.00 H new ATOM 0 HE3 LYS A 27 1.752 17.075 -7.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 4.020 17.545 -6.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 3.827 15.879 -6.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 4.621 16.837 -8.136 1.00 0.00 H new ATOM 518 N VAL A 28 0.773 12.576 -6.028 1.00 0.00 N ATOM 519 CA VAL A 28 1.330 12.294 -4.710 1.00 0.00 C ATOM 520 C VAL A 28 2.652 13.026 -4.505 1.00 0.00 C ATOM 521 O VAL A 28 3.509 13.043 -5.390 1.00 0.00 O ATOM 522 CB VAL A 28 1.555 10.784 -4.508 1.00 0.00 C ATOM 523 CG1 VAL A 28 2.188 10.516 -3.151 1.00 0.00 C ATOM 524 CG2 VAL A 28 0.244 10.026 -4.653 1.00 0.00 C ATOM 0 H VAL A 28 1.056 11.919 -6.755 1.00 0.00 H new ATOM 0 HA VAL A 28 0.605 12.647 -3.977 1.00 0.00 H new ATOM 0 HB VAL A 28 2.240 10.430 -5.278 1.00 0.00 H new ATOM 0 HG11 VAL A 28 2.340 9.444 -3.026 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.148 11.028 -3.090 1.00 0.00 H new ATOM 0 HG13 VAL A 28 1.530 10.884 -2.364 1.00 0.00 H new ATOM 0 HG21 VAL A 28 0.422 8.961 -4.507 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -0.466 10.381 -3.906 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -0.164 10.193 -5.650 1.00 0.00 H new ATOM 534 N LEU A 29 2.812 13.629 -3.332 1.00 0.00 N ATOM 535 CA LEU A 29 4.030 14.363 -3.009 1.00 0.00 C ATOM 536 C LEU A 29 5.068 13.443 -2.374 1.00 0.00 C ATOM 537 O LEU A 29 6.251 13.502 -2.708 1.00 0.00 O ATOM 538 CB LEU A 29 3.715 15.524 -2.064 1.00 0.00 C ATOM 539 CG LEU A 29 2.598 16.468 -2.510 1.00 0.00 C ATOM 540 CD1 LEU A 29 2.233 17.430 -1.390 1.00 0.00 C ATOM 541 CD2 LEU A 29 3.012 17.232 -3.759 1.00 0.00 C ATOM 0 H LEU A 29 2.113 13.624 -2.589 1.00 0.00 H new ATOM 0 HA LEU A 29 4.442 14.760 -3.937 1.00 0.00 H new ATOM 0 HB2 LEU A 29 3.448 15.112 -1.091 1.00 0.00 H new ATOM 0 HB3 LEU A 29 4.624 16.109 -1.924 1.00 0.00 H new ATOM 0 HG LEU A 29 1.718 15.871 -2.749 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.436 18.094 -1.726 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.893 16.865 -0.522 1.00 0.00 H new ATOM 0 HD13 LEU A 29 3.108 18.021 -1.119 1.00 0.00 H new ATOM 0 HD21 LEU A 29 2.205 17.899 -4.062 1.00 0.00 H new ATOM 0 HD22 LEU A 29 3.907 17.818 -3.547 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.222 16.527 -4.564 1.00 0.00 H new ATOM 553 N GLU A 30 4.615 12.592 -1.458 1.00 0.00 N ATOM 554 CA GLU A 30 5.505 11.658 -0.778 1.00 0.00 C ATOM 555 C GLU A 30 4.800 10.332 -0.509 1.00 0.00 C ATOM 556 O GLU A 30 3.590 10.295 -0.282 1.00 0.00 O ATOM 557 CB GLU A 30 6.002 12.260 0.539 1.00 0.00 C ATOM 558 CG GLU A 30 6.886 11.320 1.342 1.00 0.00 C ATOM 559 CD GLU A 30 7.316 11.916 2.668 1.00 0.00 C ATOM 560 OE1 GLU A 30 6.495 12.613 3.300 1.00 0.00 O ATOM 561 OE2 GLU A 30 8.474 11.686 3.074 1.00 0.00 O ATOM 0 H GLU A 30 3.638 12.530 -1.170 1.00 0.00 H new ATOM 0 HA GLU A 30 6.359 11.470 -1.429 1.00 0.00 H new ATOM 0 HB2 GLU A 30 6.557 13.173 0.325 1.00 0.00 H new ATOM 0 HB3 GLU A 30 5.143 12.544 1.146 1.00 0.00 H new ATOM 0 HG2 GLU A 30 6.350 10.389 1.523 1.00 0.00 H new ATOM 0 HG3 GLU A 30 7.771 11.070 0.756 1.00 0.00 H new ATOM 568 N CYS A 31 5.564 9.246 -0.538 1.00 0.00 N ATOM 569 CA CYS A 31 5.013 7.916 -0.299 1.00 0.00 C ATOM 570 C CYS A 31 6.023 7.031 0.424 1.00 0.00 C ATOM 571 O CYS A 31 7.063 6.677 -0.131 1.00 0.00 O ATOM 572 CB CYS A 31 4.603 7.267 -1.621 1.00 0.00 C ATOM 573 SG CYS A 31 3.784 5.666 -1.434 1.00 0.00 S ATOM 0 H CYS A 31 6.567 9.260 -0.725 1.00 0.00 H new ATOM 0 HA CYS A 31 4.132 8.023 0.334 1.00 0.00 H new ATOM 0 HB2 CYS A 31 3.936 7.944 -2.154 1.00 0.00 H new ATOM 0 HB3 CYS A 31 5.490 7.139 -2.241 1.00 0.00 H new ATOM 0 HG CYS A 31 4.217 4.848 -2.346 1.00 0.00 H new ATOM 579 N ASP A 32 5.710 6.680 1.667 1.00 0.00 N ATOM 580 CA ASP A 32 6.591 5.837 2.467 1.00 0.00 C ATOM 581 C ASP A 32 5.866 4.574 2.923 1.00 0.00 C ATOM 582 O ASP A 32 4.637 4.511 2.905 1.00 0.00 O ATOM 583 CB ASP A 32 7.107 6.610 3.682 1.00 0.00 C ATOM 584 CG ASP A 32 8.222 7.572 3.324 1.00 0.00 C ATOM 585 OD1 ASP A 32 7.915 8.686 2.850 1.00 0.00 O ATOM 586 OD2 ASP A 32 9.403 7.212 3.516 1.00 0.00 O ATOM 0 H ASP A 32 4.854 6.966 2.142 1.00 0.00 H new ATOM 0 HA ASP A 32 7.438 5.545 1.846 1.00 0.00 H new ATOM 0 HB2 ASP A 32 6.284 7.164 4.133 1.00 0.00 H new ATOM 0 HB3 ASP A 32 7.466 5.905 4.432 1.00 0.00 H new ATOM 591 N ILE A 33 6.637 3.571 3.331 1.00 0.00 N ATOM 592 CA ILE A 33 6.068 2.310 3.791 1.00 0.00 C ATOM 593 C ILE A 33 6.918 1.695 4.898 1.00 0.00 C ATOM 594 O ILE A 33 7.990 1.148 4.639 1.00 0.00 O ATOM 595 CB ILE A 33 5.936 1.298 2.638 1.00 0.00 C ATOM 596 CG1 ILE A 33 5.018 1.852 1.547 1.00 0.00 C ATOM 597 CG2 ILE A 33 5.408 -0.031 3.158 1.00 0.00 C ATOM 598 CD1 ILE A 33 4.863 0.926 0.361 1.00 0.00 C ATOM 0 H ILE A 33 7.656 3.607 3.352 1.00 0.00 H new ATOM 0 HA ILE A 33 5.075 2.535 4.181 1.00 0.00 H new ATOM 0 HB ILE A 33 6.923 1.131 2.206 1.00 0.00 H new ATOM 0 HG12 ILE A 33 4.035 2.048 1.975 1.00 0.00 H new ATOM 0 HG13 ILE A 33 5.412 2.808 1.202 1.00 0.00 H new ATOM 0 HG21 ILE A 33 5.320 -0.736 2.331 1.00 0.00 H new ATOM 0 HG22 ILE A 33 6.096 -0.430 3.903 1.00 0.00 H new ATOM 0 HG23 ILE A 33 4.429 0.119 3.612 1.00 0.00 H new ATOM 0 HD11 ILE A 33 4.199 1.383 -0.373 1.00 0.00 H new ATOM 0 HD12 ILE A 33 5.838 0.749 -0.092 1.00 0.00 H new ATOM 0 HD13 ILE A 33 4.440 -0.022 0.693 1.00 0.00 H new ATOM 610 N ILE A 34 6.431 1.788 6.131 1.00 0.00 N ATOM 611 CA ILE A 34 7.145 1.238 7.277 1.00 0.00 C ATOM 612 C ILE A 34 6.175 0.679 8.312 1.00 0.00 C ATOM 613 O ILE A 34 4.987 1.002 8.305 1.00 0.00 O ATOM 614 CB ILE A 34 8.037 2.300 7.947 1.00 0.00 C ATOM 615 CG1 ILE A 34 8.739 3.151 6.886 1.00 0.00 C ATOM 616 CG2 ILE A 34 9.056 1.636 8.860 1.00 0.00 C ATOM 617 CD1 ILE A 34 9.266 4.465 7.418 1.00 0.00 C ATOM 0 H ILE A 34 5.546 2.239 6.362 1.00 0.00 H new ATOM 0 HA ILE A 34 7.774 0.432 6.900 1.00 0.00 H new ATOM 0 HB ILE A 34 7.408 2.953 8.552 1.00 0.00 H new ATOM 0 HG12 ILE A 34 9.567 2.581 6.464 1.00 0.00 H new ATOM 0 HG13 ILE A 34 8.042 3.351 6.072 1.00 0.00 H new ATOM 0 HG21 ILE A 34 9.679 2.399 9.326 1.00 0.00 H new ATOM 0 HG22 ILE A 34 8.537 1.069 9.633 1.00 0.00 H new ATOM 0 HG23 ILE A 34 9.683 0.963 8.276 1.00 0.00 H new ATOM 0 HD11 ILE A 34 9.751 5.016 6.612 1.00 0.00 H new ATOM 0 HD12 ILE A 34 8.439 5.055 7.814 1.00 0.00 H new ATOM 0 HD13 ILE A 34 9.988 4.273 8.212 1.00 0.00 H new ATOM 629 N LYS A 35 6.690 -0.161 9.203 1.00 0.00 N ATOM 630 CA LYS A 35 5.871 -0.765 10.248 1.00 0.00 C ATOM 631 C LYS A 35 4.525 -1.218 9.691 1.00 0.00 C ATOM 632 O LYS A 35 3.476 -0.929 10.266 1.00 0.00 O ATOM 633 CB LYS A 35 5.653 0.229 11.392 1.00 0.00 C ATOM 634 CG LYS A 35 6.715 0.152 12.475 1.00 0.00 C ATOM 635 CD LYS A 35 6.208 0.712 13.793 1.00 0.00 C ATOM 636 CE LYS A 35 7.286 0.677 14.865 1.00 0.00 C ATOM 637 NZ LYS A 35 7.061 1.711 15.913 1.00 0.00 N ATOM 0 H LYS A 35 7.671 -0.439 9.223 1.00 0.00 H new ATOM 0 HA LYS A 35 6.399 -1.639 10.629 1.00 0.00 H new ATOM 0 HB2 LYS A 35 5.634 1.240 10.985 1.00 0.00 H new ATOM 0 HB3 LYS A 35 4.676 0.047 11.839 1.00 0.00 H new ATOM 0 HG2 LYS A 35 7.021 -0.885 12.613 1.00 0.00 H new ATOM 0 HG3 LYS A 35 7.599 0.706 12.159 1.00 0.00 H new ATOM 0 HD2 LYS A 35 5.871 1.738 13.648 1.00 0.00 H new ATOM 0 HD3 LYS A 35 5.344 0.137 14.126 1.00 0.00 H new ATOM 0 HE2 LYS A 35 7.306 -0.310 15.327 1.00 0.00 H new ATOM 0 HE3 LYS A 35 8.261 0.833 14.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 7.817 1.654 16.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 7.067 2.655 15.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 6.142 1.547 16.371 1.00 0.00 H new ATOM 651 N ASN A 36 4.563 -1.931 8.570 1.00 0.00 N ATOM 652 CA ASN A 36 3.346 -2.425 7.937 1.00 0.00 C ATOM 653 C ASN A 36 2.350 -1.291 7.713 1.00 0.00 C ATOM 654 O ASN A 36 1.139 -1.488 7.807 1.00 0.00 O ATOM 655 CB ASN A 36 2.707 -3.518 8.795 1.00 0.00 C ATOM 656 CG ASN A 36 3.735 -4.314 9.577 1.00 0.00 C ATOM 657 OD1 ASN A 36 4.498 -5.093 9.007 1.00 0.00 O ATOM 658 ND2 ASN A 36 3.758 -4.120 10.891 1.00 0.00 N ATOM 0 H ASN A 36 5.423 -2.179 8.082 1.00 0.00 H new ATOM 0 HA ASN A 36 3.615 -2.845 6.968 1.00 0.00 H new ATOM 0 HB2 ASN A 36 1.999 -3.064 9.488 1.00 0.00 H new ATOM 0 HB3 ASN A 36 2.139 -4.193 8.155 1.00 0.00 H new ATOM 0 HD21 ASN A 36 4.427 -4.627 11.470 1.00 0.00 H new ATOM 0 HD22 ASN A 36 3.106 -3.464 11.321 1.00 0.00 H new ATOM 665 N TYR A 37 2.870 -0.105 7.418 1.00 0.00 N ATOM 666 CA TYR A 37 2.027 1.062 7.183 1.00 0.00 C ATOM 667 C TYR A 37 2.633 1.965 6.113 1.00 0.00 C ATOM 668 O TYR A 37 3.846 1.982 5.913 1.00 0.00 O ATOM 669 CB TYR A 37 1.834 1.847 8.481 1.00 0.00 C ATOM 670 CG TYR A 37 2.984 2.775 8.804 1.00 0.00 C ATOM 671 CD1 TYR A 37 3.265 3.871 7.998 1.00 0.00 C ATOM 672 CD2 TYR A 37 3.789 2.554 9.914 1.00 0.00 C ATOM 673 CE1 TYR A 37 4.315 4.721 8.289 1.00 0.00 C ATOM 674 CE2 TYR A 37 4.840 3.399 10.214 1.00 0.00 C ATOM 675 CZ TYR A 37 5.099 4.481 9.398 1.00 0.00 C ATOM 676 OH TYR A 37 6.146 5.324 9.692 1.00 0.00 O ATOM 0 H TYR A 37 3.871 0.074 7.336 1.00 0.00 H new ATOM 0 HA TYR A 37 1.056 0.713 6.830 1.00 0.00 H new ATOM 0 HB2 TYR A 37 0.916 2.431 8.410 1.00 0.00 H new ATOM 0 HB3 TYR A 37 1.702 1.145 9.304 1.00 0.00 H new ATOM 0 HD1 TYR A 37 2.652 4.062 7.129 1.00 0.00 H new ATOM 0 HD2 TYR A 37 3.590 1.707 10.554 1.00 0.00 H new ATOM 0 HE1 TYR A 37 4.520 5.568 7.652 1.00 0.00 H new ATOM 0 HE2 TYR A 37 5.455 3.214 11.082 1.00 0.00 H new ATOM 0 HH TYR A 37 6.596 5.015 10.506 1.00 0.00 H new ATOM 686 N GLY A 38 1.776 2.718 5.428 1.00 0.00 N ATOM 687 CA GLY A 38 2.244 3.614 4.388 1.00 0.00 C ATOM 688 C GLY A 38 1.607 4.987 4.475 1.00 0.00 C ATOM 689 O GLY A 38 0.425 5.111 4.799 1.00 0.00 O ATOM 0 H GLY A 38 0.767 2.723 5.576 1.00 0.00 H new ATOM 0 HA2 GLY A 38 3.327 3.714 4.459 1.00 0.00 H new ATOM 0 HA3 GLY A 38 2.028 3.178 3.413 1.00 0.00 H new ATOM 693 N PHE A 39 2.390 6.021 4.188 1.00 0.00 N ATOM 694 CA PHE A 39 1.896 7.392 4.239 1.00 0.00 C ATOM 695 C PHE A 39 1.880 8.016 2.846 1.00 0.00 C ATOM 696 O PHE A 39 2.874 7.968 2.121 1.00 0.00 O ATOM 697 CB PHE A 39 2.761 8.234 5.178 1.00 0.00 C ATOM 698 CG PHE A 39 2.598 7.875 6.627 1.00 0.00 C ATOM 699 CD1 PHE A 39 1.339 7.658 7.164 1.00 0.00 C ATOM 700 CD2 PHE A 39 3.704 7.753 7.453 1.00 0.00 C ATOM 701 CE1 PHE A 39 1.185 7.326 8.497 1.00 0.00 C ATOM 702 CE2 PHE A 39 3.556 7.422 8.787 1.00 0.00 C ATOM 703 CZ PHE A 39 2.296 7.209 9.310 1.00 0.00 C ATOM 0 H PHE A 39 3.370 5.936 3.918 1.00 0.00 H new ATOM 0 HA PHE A 39 0.875 7.370 4.620 1.00 0.00 H new ATOM 0 HB2 PHE A 39 3.808 8.116 4.898 1.00 0.00 H new ATOM 0 HB3 PHE A 39 2.512 9.286 5.043 1.00 0.00 H new ATOM 0 HD1 PHE A 39 0.467 7.749 6.533 1.00 0.00 H new ATOM 0 HD2 PHE A 39 4.692 7.918 7.050 1.00 0.00 H new ATOM 0 HE1 PHE A 39 0.198 7.158 8.902 1.00 0.00 H new ATOM 0 HE2 PHE A 39 4.426 7.330 9.420 1.00 0.00 H new ATOM 0 HZ PHE A 39 2.179 6.951 10.352 1.00 0.00 H new ATOM 713 N VAL A 40 0.745 8.601 2.479 1.00 0.00 N ATOM 714 CA VAL A 40 0.599 9.236 1.174 1.00 0.00 C ATOM 715 C VAL A 40 0.201 10.700 1.317 1.00 0.00 C ATOM 716 O VAL A 40 -0.860 11.017 1.856 1.00 0.00 O ATOM 717 CB VAL A 40 -0.452 8.511 0.313 1.00 0.00 C ATOM 718 CG1 VAL A 40 -0.610 9.205 -1.032 1.00 0.00 C ATOM 719 CG2 VAL A 40 -0.073 7.050 0.127 1.00 0.00 C ATOM 0 H VAL A 40 -0.087 8.649 3.067 1.00 0.00 H new ATOM 0 HA VAL A 40 1.569 9.173 0.680 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.410 8.550 0.831 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.357 8.679 -1.627 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.931 10.235 -0.875 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.344 9.199 -1.559 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.827 6.553 -0.484 1.00 0.00 H new ATOM 0 HG22 VAL A 40 0.896 6.986 -0.369 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -0.016 6.562 1.100 1.00 0.00 H new ATOM 729 N HIS A 41 1.060 11.591 0.831 1.00 0.00 N ATOM 730 CA HIS A 41 0.798 13.024 0.903 1.00 0.00 C ATOM 731 C HIS A 41 0.215 13.537 -0.411 1.00 0.00 C ATOM 732 O HIS A 41 0.952 13.935 -1.314 1.00 0.00 O ATOM 733 CB HIS A 41 2.083 13.783 1.235 1.00 0.00 C ATOM 734 CG HIS A 41 2.726 13.341 2.513 1.00 0.00 C ATOM 735 ND1 HIS A 41 3.430 12.161 2.633 1.00 0.00 N ATOM 736 CD2 HIS A 41 2.771 13.929 3.731 1.00 0.00 C ATOM 737 CE1 HIS A 41 3.878 12.042 3.870 1.00 0.00 C ATOM 738 NE2 HIS A 41 3.492 13.102 4.557 1.00 0.00 N ATOM 0 H HIS A 41 1.943 11.346 0.383 1.00 0.00 H new ATOM 0 HA HIS A 41 0.069 13.195 1.695 1.00 0.00 H new ATOM 0 HB2 HIS A 41 2.793 13.655 0.418 1.00 0.00 H new ATOM 0 HB3 HIS A 41 1.860 14.848 1.299 1.00 0.00 H new ATOM 0 HD2 HIS A 41 2.323 14.873 4.003 1.00 0.00 H new ATOM 0 HE1 HIS A 41 4.461 11.218 4.254 1.00 0.00 H new ATOM 0 HE2 HIS A 41 3.696 13.278 5.541 1.00 0.00 H new ATOM 746 N ILE A 42 -1.110 13.523 -0.510 1.00 0.00 N ATOM 747 CA ILE A 42 -1.790 13.987 -1.713 1.00 0.00 C ATOM 748 C ILE A 42 -1.661 15.498 -1.870 1.00 0.00 C ATOM 749 O ILE A 42 -1.489 16.221 -0.889 1.00 0.00 O ATOM 750 CB ILE A 42 -3.283 13.609 -1.696 1.00 0.00 C ATOM 751 CG1 ILE A 42 -3.871 13.702 -3.106 1.00 0.00 C ATOM 752 CG2 ILE A 42 -4.046 14.512 -0.738 1.00 0.00 C ATOM 753 CD1 ILE A 42 -5.157 12.924 -3.276 1.00 0.00 C ATOM 0 H ILE A 42 -1.734 13.196 0.228 1.00 0.00 H new ATOM 0 HA ILE A 42 -1.308 13.495 -2.558 1.00 0.00 H new ATOM 0 HB ILE A 42 -3.379 12.580 -1.350 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -4.055 14.749 -3.346 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -3.136 13.335 -3.822 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -5.100 14.233 -0.736 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -3.640 14.401 0.267 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -3.946 15.549 -1.058 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -5.517 13.035 -4.299 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -4.975 11.870 -3.068 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -5.908 13.306 -2.584 1.00 0.00 H new ATOM 765 N GLU A 43 -1.746 15.968 -3.110 1.00 0.00 N ATOM 766 CA GLU A 43 -1.640 17.394 -3.395 1.00 0.00 C ATOM 767 C GLU A 43 -2.695 18.183 -2.625 1.00 0.00 C ATOM 768 O GLU A 43 -2.373 18.954 -1.720 1.00 0.00 O ATOM 769 CB GLU A 43 -1.790 17.650 -4.896 1.00 0.00 C ATOM 770 CG GLU A 43 -2.014 19.112 -5.244 1.00 0.00 C ATOM 771 CD GLU A 43 -0.734 19.924 -5.206 1.00 0.00 C ATOM 772 OE1 GLU A 43 -0.375 20.414 -4.115 1.00 0.00 O ATOM 773 OE2 GLU A 43 -0.091 20.069 -6.267 1.00 0.00 O ATOM 0 H GLU A 43 -1.888 15.383 -3.933 1.00 0.00 H new ATOM 0 HA GLU A 43 -0.654 17.730 -3.074 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -0.895 17.296 -5.408 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -2.627 17.063 -5.275 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -2.454 19.181 -6.239 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -2.733 19.542 -4.546 1.00 0.00 H new ATOM 780 N ASP A 44 -3.957 17.985 -2.991 1.00 0.00 N ATOM 781 CA ASP A 44 -5.061 18.677 -2.336 1.00 0.00 C ATOM 782 C ASP A 44 -5.867 17.714 -1.469 1.00 0.00 C ATOM 783 O ASP A 44 -5.977 16.528 -1.777 1.00 0.00 O ATOM 784 CB ASP A 44 -5.971 19.330 -3.377 1.00 0.00 C ATOM 785 CG ASP A 44 -5.207 20.218 -4.339 1.00 0.00 C ATOM 786 OD1 ASP A 44 -4.385 21.032 -3.869 1.00 0.00 O ATOM 787 OD2 ASP A 44 -5.431 20.099 -5.562 1.00 0.00 O ATOM 0 H ASP A 44 -4.241 17.351 -3.738 1.00 0.00 H new ATOM 0 HA ASP A 44 -4.643 19.452 -1.694 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -6.491 18.554 -3.939 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -6.733 19.921 -2.869 1.00 0.00 H new ATOM 792 N LYS A 45 -6.428 18.234 -0.383 1.00 0.00 N ATOM 793 CA LYS A 45 -7.225 17.422 0.530 1.00 0.00 C ATOM 794 C LYS A 45 -8.398 16.776 -0.199 1.00 0.00 C ATOM 795 O LYS A 45 -8.605 15.565 -0.115 1.00 0.00 O ATOM 796 CB LYS A 45 -7.739 18.278 1.690 1.00 0.00 C ATOM 797 CG LYS A 45 -8.563 17.500 2.701 1.00 0.00 C ATOM 798 CD LYS A 45 -9.391 18.425 3.576 1.00 0.00 C ATOM 799 CE LYS A 45 -10.085 17.663 4.695 1.00 0.00 C ATOM 800 NZ LYS A 45 -9.123 17.216 5.740 1.00 0.00 N ATOM 0 H LYS A 45 -6.346 19.214 -0.113 1.00 0.00 H new ATOM 0 HA LYS A 45 -6.587 16.632 0.925 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -6.889 18.733 2.199 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -8.344 19.092 1.290 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -9.222 16.806 2.178 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -7.902 16.901 3.327 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -8.748 19.195 4.003 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -10.136 18.935 2.965 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -10.846 18.298 5.149 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -10.599 16.796 4.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -9.647 16.837 6.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -8.506 16.475 5.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -8.543 18.023 6.046 1.00 0.00 H new ATOM 814 N THR A 46 -9.164 17.592 -0.917 1.00 0.00 N ATOM 815 CA THR A 46 -10.317 17.100 -1.662 1.00 0.00 C ATOM 816 C THR A 46 -9.924 15.957 -2.590 1.00 0.00 C ATOM 817 O THR A 46 -10.733 15.076 -2.882 1.00 0.00 O ATOM 818 CB THR A 46 -10.969 18.221 -2.493 1.00 0.00 C ATOM 819 OG1 THR A 46 -11.483 19.238 -1.626 1.00 0.00 O ATOM 820 CG2 THR A 46 -12.092 17.670 -3.358 1.00 0.00 C ATOM 0 H THR A 46 -9.007 18.597 -0.998 1.00 0.00 H new ATOM 0 HA THR A 46 -11.037 16.737 -0.928 1.00 0.00 H new ATOM 0 HB THR A 46 -10.207 18.650 -3.144 1.00 0.00 H new ATOM 0 HG1 THR A 46 -11.894 19.948 -2.162 1.00 0.00 H new ATOM 0 HG21 THR A 46 -12.537 18.480 -3.936 1.00 0.00 H new ATOM 0 HG22 THR A 46 -11.692 16.917 -4.037 1.00 0.00 H new ATOM 0 HG23 THR A 46 -12.853 17.217 -2.722 1.00 0.00 H new ATOM 828 N ALA A 47 -8.678 15.977 -3.052 1.00 0.00 N ATOM 829 CA ALA A 47 -8.178 14.940 -3.946 1.00 0.00 C ATOM 830 C ALA A 47 -8.120 13.589 -3.241 1.00 0.00 C ATOM 831 O ALA A 47 -8.235 12.541 -3.876 1.00 0.00 O ATOM 832 CB ALA A 47 -6.804 15.319 -4.478 1.00 0.00 C ATOM 0 H ALA A 47 -7.996 16.700 -2.822 1.00 0.00 H new ATOM 0 HA ALA A 47 -8.869 14.854 -4.785 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -6.443 14.535 -5.144 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -6.873 16.258 -5.026 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -6.111 15.435 -3.645 1.00 0.00 H new ATOM 838 N ALA A 48 -7.940 13.620 -1.925 1.00 0.00 N ATOM 839 CA ALA A 48 -7.868 12.398 -1.134 1.00 0.00 C ATOM 840 C ALA A 48 -9.234 11.729 -1.031 1.00 0.00 C ATOM 841 O ALA A 48 -9.386 10.554 -1.363 1.00 0.00 O ATOM 842 CB ALA A 48 -7.319 12.698 0.253 1.00 0.00 C ATOM 0 H ALA A 48 -7.841 14.479 -1.384 1.00 0.00 H new ATOM 0 HA ALA A 48 -7.192 11.708 -1.639 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -7.271 11.776 0.833 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -6.319 13.124 0.164 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -7.973 13.410 0.757 1.00 0.00 H new ATOM 848 N GLU A 49 -10.225 12.486 -0.569 1.00 0.00 N ATOM 849 CA GLU A 49 -11.579 11.964 -0.421 1.00 0.00 C ATOM 850 C GLU A 49 -11.894 10.951 -1.518 1.00 0.00 C ATOM 851 O GLU A 49 -12.269 9.813 -1.237 1.00 0.00 O ATOM 852 CB GLU A 49 -12.596 13.106 -0.460 1.00 0.00 C ATOM 853 CG GLU A 49 -12.859 13.733 0.899 1.00 0.00 C ATOM 854 CD GLU A 49 -13.735 14.968 0.813 1.00 0.00 C ATOM 855 OE1 GLU A 49 -13.527 15.778 -0.115 1.00 0.00 O ATOM 856 OE2 GLU A 49 -14.627 15.124 1.672 1.00 0.00 O ATOM 0 H GLU A 49 -10.116 13.461 -0.291 1.00 0.00 H new ATOM 0 HA GLU A 49 -11.644 11.461 0.544 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -12.239 13.876 -1.143 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -13.536 12.731 -0.866 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -13.336 12.998 1.548 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -11.909 13.998 1.363 1.00 0.00 H new ATOM 863 N ASP A 50 -11.738 11.373 -2.768 1.00 0.00 N ATOM 864 CA ASP A 50 -12.006 10.504 -3.908 1.00 0.00 C ATOM 865 C ASP A 50 -11.196 9.215 -3.809 1.00 0.00 C ATOM 866 O ASP A 50 -11.727 8.120 -3.995 1.00 0.00 O ATOM 867 CB ASP A 50 -11.680 11.227 -5.215 1.00 0.00 C ATOM 868 CG ASP A 50 -12.546 10.758 -6.368 1.00 0.00 C ATOM 869 OD1 ASP A 50 -13.641 10.218 -6.105 1.00 0.00 O ATOM 870 OD2 ASP A 50 -12.129 10.930 -7.532 1.00 0.00 O ATOM 0 H ASP A 50 -11.427 12.312 -3.018 1.00 0.00 H new ATOM 0 HA ASP A 50 -13.066 10.248 -3.899 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -11.814 12.300 -5.077 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -10.631 11.067 -5.464 1.00 0.00 H new ATOM 875 N ALA A 51 -9.907 9.352 -3.517 1.00 0.00 N ATOM 876 CA ALA A 51 -9.024 8.199 -3.393 1.00 0.00 C ATOM 877 C ALA A 51 -9.344 7.395 -2.137 1.00 0.00 C ATOM 878 O ALA A 51 -9.790 6.250 -2.219 1.00 0.00 O ATOM 879 CB ALA A 51 -7.570 8.647 -3.379 1.00 0.00 C ATOM 0 H ALA A 51 -9.451 10.251 -3.362 1.00 0.00 H new ATOM 0 HA ALA A 51 -9.186 7.554 -4.257 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -6.922 7.776 -3.286 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -7.342 9.172 -4.307 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -7.403 9.315 -2.534 1.00 0.00 H new ATOM 885 N ILE A 52 -9.113 8.001 -0.977 1.00 0.00 N ATOM 886 CA ILE A 52 -9.378 7.341 0.295 1.00 0.00 C ATOM 887 C ILE A 52 -10.584 6.414 0.193 1.00 0.00 C ATOM 888 O ILE A 52 -10.453 5.195 0.297 1.00 0.00 O ATOM 889 CB ILE A 52 -9.624 8.364 1.420 1.00 0.00 C ATOM 890 CG1 ILE A 52 -8.363 9.195 1.669 1.00 0.00 C ATOM 891 CG2 ILE A 52 -10.059 7.656 2.694 1.00 0.00 C ATOM 892 CD1 ILE A 52 -8.577 10.345 2.627 1.00 0.00 C ATOM 0 H ILE A 52 -8.743 8.948 -0.892 1.00 0.00 H new ATOM 0 HA ILE A 52 -8.492 6.754 0.536 1.00 0.00 H new ATOM 0 HB ILE A 52 -10.424 9.037 1.111 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -7.581 8.545 2.063 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -8.002 9.587 0.718 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -10.229 8.392 3.480 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -10.981 7.105 2.507 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -9.279 6.963 3.009 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -7.642 10.890 2.756 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -9.336 11.017 2.225 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -8.908 9.959 3.591 1.00 0.00 H new ATOM 904 N ARG A 53 -11.759 7.001 -0.013 1.00 0.00 N ATOM 905 CA ARG A 53 -12.989 6.228 -0.129 1.00 0.00 C ATOM 906 C ARG A 53 -12.736 4.911 -0.857 1.00 0.00 C ATOM 907 O ARG A 53 -12.694 3.848 -0.239 1.00 0.00 O ATOM 908 CB ARG A 53 -14.056 7.036 -0.871 1.00 0.00 C ATOM 909 CG ARG A 53 -15.384 6.310 -1.007 1.00 0.00 C ATOM 910 CD ARG A 53 -16.502 7.263 -1.400 1.00 0.00 C ATOM 911 NE ARG A 53 -17.758 6.561 -1.650 1.00 0.00 N ATOM 912 CZ ARG A 53 -18.892 7.174 -1.971 1.00 0.00 C ATOM 913 NH1 ARG A 53 -18.927 8.495 -2.081 1.00 0.00 N ATOM 914 NH2 ARG A 53 -19.994 6.465 -2.183 1.00 0.00 N ATOM 0 H ARG A 53 -11.884 8.009 -0.103 1.00 0.00 H new ATOM 0 HA ARG A 53 -13.345 6.005 0.877 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -14.218 7.977 -0.345 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -13.685 7.286 -1.865 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -15.295 5.523 -1.756 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -15.633 5.825 -0.063 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -16.648 7.996 -0.607 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -16.211 7.814 -2.294 1.00 0.00 H new ATOM 0 HE ARG A 53 -17.765 5.544 -1.574 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -18.082 9.043 -1.919 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -19.799 8.963 -2.328 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -19.971 5.449 -2.099 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -20.864 6.937 -2.429 1.00 0.00 H new ATOM 928 N ASN A 54 -12.570 4.990 -2.173 1.00 0.00 N ATOM 929 CA ASN A 54 -12.322 3.804 -2.985 1.00 0.00 C ATOM 930 C ASN A 54 -11.219 2.946 -2.373 1.00 0.00 C ATOM 931 O ASN A 54 -11.475 1.850 -1.873 1.00 0.00 O ATOM 932 CB ASN A 54 -11.939 4.207 -4.410 1.00 0.00 C ATOM 933 CG ASN A 54 -13.138 4.636 -5.233 1.00 0.00 C ATOM 934 OD1 ASN A 54 -13.960 3.809 -5.630 1.00 0.00 O ATOM 935 ND2 ASN A 54 -13.245 5.934 -5.492 1.00 0.00 N ATOM 0 H ASN A 54 -12.603 5.863 -2.700 1.00 0.00 H new ATOM 0 HA ASN A 54 -13.240 3.217 -3.015 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -11.217 5.023 -4.372 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -11.446 3.368 -4.902 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -14.032 6.282 -6.040 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -12.540 6.584 -5.143 1.00 0.00 H new ATOM 942 N LEU A 55 -9.991 3.452 -2.416 1.00 0.00 N ATOM 943 CA LEU A 55 -8.848 2.733 -1.865 1.00 0.00 C ATOM 944 C LEU A 55 -9.217 2.047 -0.553 1.00 0.00 C ATOM 945 O LEU A 55 -8.655 1.008 -0.204 1.00 0.00 O ATOM 946 CB LEU A 55 -7.677 3.692 -1.640 1.00 0.00 C ATOM 947 CG LEU A 55 -7.009 4.242 -2.901 1.00 0.00 C ATOM 948 CD1 LEU A 55 -6.067 5.383 -2.551 1.00 0.00 C ATOM 949 CD2 LEU A 55 -6.263 3.137 -3.635 1.00 0.00 C ATOM 0 H LEU A 55 -9.762 4.357 -2.827 1.00 0.00 H new ATOM 0 HA LEU A 55 -8.551 1.968 -2.583 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -8.031 4.533 -1.044 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -6.921 3.178 -1.047 1.00 0.00 H new ATOM 0 HG LEU A 55 -7.785 4.629 -3.561 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -5.601 5.762 -3.460 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -6.629 6.184 -2.070 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -5.295 5.022 -1.871 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -5.794 3.547 -4.530 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -5.496 2.720 -2.982 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -6.964 2.352 -3.920 1.00 0.00 H new ATOM 961 N HIS A 56 -10.166 2.634 0.169 1.00 0.00 N ATOM 962 CA HIS A 56 -10.613 2.077 1.441 1.00 0.00 C ATOM 963 C HIS A 56 -11.085 0.637 1.269 1.00 0.00 C ATOM 964 O HIS A 56 -11.973 0.356 0.464 1.00 0.00 O ATOM 965 CB HIS A 56 -11.739 2.929 2.027 1.00 0.00 C ATOM 966 CG HIS A 56 -11.846 2.837 3.519 1.00 0.00 C ATOM 967 ND1 HIS A 56 -10.781 2.508 4.330 1.00 0.00 N ATOM 968 CD2 HIS A 56 -12.899 3.036 4.345 1.00 0.00 C ATOM 969 CE1 HIS A 56 -11.175 2.507 5.591 1.00 0.00 C ATOM 970 NE2 HIS A 56 -12.456 2.825 5.627 1.00 0.00 N ATOM 0 H HIS A 56 -10.640 3.495 -0.105 1.00 0.00 H new ATOM 0 HA HIS A 56 -9.767 2.083 2.129 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -11.580 3.970 1.746 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -12.686 2.620 1.583 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -13.901 3.310 4.051 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -10.555 2.284 6.447 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -13.024 2.901 6.471 1.00 0.00 H new ATOM 978 N HIS A 57 -10.484 -0.273 2.029 1.00 0.00 N ATOM 979 CA HIS A 57 -10.843 -1.685 1.960 1.00 0.00 C ATOM 980 C HIS A 57 -10.659 -2.224 0.544 1.00 0.00 C ATOM 981 O HIS A 57 -11.389 -3.114 0.108 1.00 0.00 O ATOM 982 CB HIS A 57 -12.289 -1.888 2.411 1.00 0.00 C ATOM 983 CG HIS A 57 -12.434 -2.081 3.889 1.00 0.00 C ATOM 984 ND1 HIS A 57 -12.898 -3.250 4.454 1.00 0.00 N ATOM 985 CD2 HIS A 57 -12.172 -1.245 4.921 1.00 0.00 C ATOM 986 CE1 HIS A 57 -12.916 -3.125 5.769 1.00 0.00 C ATOM 987 NE2 HIS A 57 -12.480 -1.917 6.078 1.00 0.00 N ATOM 0 H HIS A 57 -9.746 -0.058 2.700 1.00 0.00 H new ATOM 0 HA HIS A 57 -10.181 -2.236 2.629 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -12.881 -1.025 2.106 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -12.703 -2.756 1.897 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -11.791 -0.237 4.848 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -13.233 -3.881 6.472 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -12.387 -1.544 7.023 1.00 0.00 H new ATOM 995 N TYR A 58 -9.679 -1.678 -0.168 1.00 0.00 N ATOM 996 CA TYR A 58 -9.402 -2.101 -1.536 1.00 0.00 C ATOM 997 C TYR A 58 -8.740 -3.476 -1.557 1.00 0.00 C ATOM 998 O TYR A 58 -7.772 -3.724 -0.838 1.00 0.00 O ATOM 999 CB TYR A 58 -8.504 -1.080 -2.236 1.00 0.00 C ATOM 1000 CG TYR A 58 -8.233 -1.406 -3.687 1.00 0.00 C ATOM 1001 CD1 TYR A 58 -9.276 -1.666 -4.567 1.00 0.00 C ATOM 1002 CD2 TYR A 58 -6.934 -1.455 -4.178 1.00 0.00 C ATOM 1003 CE1 TYR A 58 -9.034 -1.965 -5.894 1.00 0.00 C ATOM 1004 CE2 TYR A 58 -6.682 -1.752 -5.503 1.00 0.00 C ATOM 1005 CZ TYR A 58 -7.735 -2.006 -6.357 1.00 0.00 C ATOM 1006 OH TYR A 58 -7.488 -2.303 -7.678 1.00 0.00 O ATOM 0 H TYR A 58 -9.064 -0.942 0.179 1.00 0.00 H new ATOM 0 HA TYR A 58 -10.351 -2.166 -2.069 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -8.970 -0.096 -2.174 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -7.555 -1.017 -1.703 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -10.294 -1.634 -4.208 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -6.107 -1.257 -3.512 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -9.857 -2.165 -6.565 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -5.666 -1.785 -5.868 1.00 0.00 H new ATOM 0 HH TYR A 58 -6.522 -2.290 -7.841 1.00 0.00 H new ATOM 1016 N LYS A 59 -9.270 -4.367 -2.387 1.00 0.00 N ATOM 1017 CA LYS A 59 -8.732 -5.717 -2.506 1.00 0.00 C ATOM 1018 C LYS A 59 -7.465 -5.726 -3.356 1.00 0.00 C ATOM 1019 O LYS A 59 -7.525 -5.891 -4.575 1.00 0.00 O ATOM 1020 CB LYS A 59 -9.777 -6.653 -3.120 1.00 0.00 C ATOM 1021 CG LYS A 59 -9.509 -8.123 -2.851 1.00 0.00 C ATOM 1022 CD LYS A 59 -10.647 -8.998 -3.350 1.00 0.00 C ATOM 1023 CE LYS A 59 -10.680 -10.336 -2.628 1.00 0.00 C ATOM 1024 NZ LYS A 59 -11.577 -11.311 -3.307 1.00 0.00 N ATOM 0 H LYS A 59 -10.072 -4.179 -2.988 1.00 0.00 H new ATOM 0 HA LYS A 59 -8.480 -6.069 -1.506 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -10.760 -6.394 -2.727 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -9.811 -6.490 -4.197 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -8.580 -8.420 -3.338 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -9.371 -8.279 -1.781 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -11.596 -8.481 -3.204 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -10.536 -9.164 -4.422 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -9.671 -10.746 -2.576 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -11.016 -10.187 -1.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -11.572 -12.210 -2.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -12.545 -10.932 -3.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -11.242 -11.473 -4.278 1.00 0.00 H new ATOM 1038 N LEU A 60 -6.321 -5.548 -2.705 1.00 0.00 N ATOM 1039 CA LEU A 60 -5.039 -5.537 -3.402 1.00 0.00 C ATOM 1040 C LEU A 60 -4.218 -6.773 -3.051 1.00 0.00 C ATOM 1041 O LEU A 60 -4.094 -7.137 -1.881 1.00 0.00 O ATOM 1042 CB LEU A 60 -4.255 -4.272 -3.047 1.00 0.00 C ATOM 1043 CG LEU A 60 -2.906 -4.100 -3.746 1.00 0.00 C ATOM 1044 CD1 LEU A 60 -3.103 -3.871 -5.237 1.00 0.00 C ATOM 1045 CD2 LEU A 60 -2.127 -2.950 -3.126 1.00 0.00 C ATOM 0 H LEU A 60 -6.254 -5.409 -1.697 1.00 0.00 H new ATOM 0 HA LEU A 60 -5.236 -5.547 -4.474 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -4.875 -3.407 -3.280 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -4.087 -4.263 -1.970 1.00 0.00 H new ATOM 0 HG LEU A 60 -2.330 -5.016 -3.613 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -2.132 -3.751 -5.718 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -3.620 -4.727 -5.671 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -3.698 -2.971 -5.391 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -1.170 -2.842 -3.636 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.698 -2.027 -3.228 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -1.954 -3.155 -2.070 1.00 0.00 H new ATOM 1057 N HIS A 61 -3.656 -7.414 -4.071 1.00 0.00 N ATOM 1058 CA HIS A 61 -2.844 -8.608 -3.870 1.00 0.00 C ATOM 1059 C HIS A 61 -3.577 -9.623 -2.998 1.00 0.00 C ATOM 1060 O HIS A 61 -2.953 -10.440 -2.321 1.00 0.00 O ATOM 1061 CB HIS A 61 -1.506 -8.239 -3.228 1.00 0.00 C ATOM 1062 CG HIS A 61 -0.470 -7.798 -4.216 1.00 0.00 C ATOM 1063 ND1 HIS A 61 -0.157 -8.517 -5.350 1.00 0.00 N ATOM 1064 CD2 HIS A 61 0.326 -6.703 -4.234 1.00 0.00 C ATOM 1065 CE1 HIS A 61 0.788 -7.884 -6.023 1.00 0.00 C ATOM 1066 NE2 HIS A 61 1.098 -6.780 -5.367 1.00 0.00 N ATOM 0 H HIS A 61 -3.748 -7.126 -5.045 1.00 0.00 H new ATOM 0 HA HIS A 61 -2.658 -9.059 -4.845 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -1.668 -7.441 -2.503 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -1.127 -9.099 -2.676 1.00 0.00 H new ATOM 0 HD2 HIS A 61 0.349 -5.916 -3.495 1.00 0.00 H new ATOM 0 HE1 HIS A 61 1.231 -8.213 -6.951 1.00 0.00 H new ATOM 0 HE2 HIS A 61 1.797 -6.096 -5.655 1.00 0.00 H new ATOM 1074 N GLY A 62 -4.905 -9.565 -3.019 1.00 0.00 N ATOM 1075 CA GLY A 62 -5.700 -10.484 -2.226 1.00 0.00 C ATOM 1076 C GLY A 62 -5.664 -10.154 -0.747 1.00 0.00 C ATOM 1077 O GLY A 62 -5.672 -11.050 0.097 1.00 0.00 O ATOM 0 H GLY A 62 -5.444 -8.898 -3.571 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.732 -10.461 -2.575 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -5.335 -11.500 -2.378 1.00 0.00 H new ATOM 1081 N VAL A 63 -5.623 -8.863 -0.431 1.00 0.00 N ATOM 1082 CA VAL A 63 -5.584 -8.417 0.957 1.00 0.00 C ATOM 1083 C VAL A 63 -6.461 -7.186 1.163 1.00 0.00 C ATOM 1084 O VAL A 63 -6.706 -6.424 0.230 1.00 0.00 O ATOM 1085 CB VAL A 63 -4.146 -8.090 1.402 1.00 0.00 C ATOM 1086 CG1 VAL A 63 -3.709 -6.742 0.848 1.00 0.00 C ATOM 1087 CG2 VAL A 63 -4.041 -8.112 2.919 1.00 0.00 C ATOM 0 H VAL A 63 -5.616 -8.108 -1.117 1.00 0.00 H new ATOM 0 HA VAL A 63 -5.966 -9.238 1.564 1.00 0.00 H new ATOM 0 HB VAL A 63 -3.478 -8.853 1.003 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -2.691 -6.528 1.173 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -3.745 -6.767 -0.241 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -4.378 -5.964 1.215 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -3.019 -7.879 3.216 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -4.720 -7.371 3.341 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -4.309 -9.102 3.288 1.00 0.00 H new ATOM 1097 N ASN A 64 -6.930 -7.000 2.392 1.00 0.00 N ATOM 1098 CA ASN A 64 -7.779 -5.861 2.721 1.00 0.00 C ATOM 1099 C ASN A 64 -6.978 -4.768 3.421 1.00 0.00 C ATOM 1100 O ASN A 64 -6.472 -4.967 4.526 1.00 0.00 O ATOM 1101 CB ASN A 64 -8.942 -6.306 3.612 1.00 0.00 C ATOM 1102 CG ASN A 64 -9.569 -7.603 3.138 1.00 0.00 C ATOM 1103 OD1 ASN A 64 -9.138 -8.691 3.523 1.00 0.00 O ATOM 1104 ND2 ASN A 64 -10.592 -7.494 2.299 1.00 0.00 N ATOM 0 H ASN A 64 -6.737 -7.623 3.176 1.00 0.00 H new ATOM 0 HA ASN A 64 -8.176 -5.456 1.790 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -8.586 -6.430 4.635 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -9.701 -5.524 3.631 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -11.054 -8.332 1.947 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -10.916 -6.572 2.007 1.00 0.00 H new ATOM 1111 N ILE A 65 -6.867 -3.615 2.771 1.00 0.00 N ATOM 1112 CA ILE A 65 -6.128 -2.490 3.331 1.00 0.00 C ATOM 1113 C ILE A 65 -7.074 -1.455 3.929 1.00 0.00 C ATOM 1114 O ILE A 65 -8.239 -1.366 3.542 1.00 0.00 O ATOM 1115 CB ILE A 65 -5.246 -1.810 2.268 1.00 0.00 C ATOM 1116 CG1 ILE A 65 -6.118 -1.116 1.219 1.00 0.00 C ATOM 1117 CG2 ILE A 65 -4.327 -2.829 1.611 1.00 0.00 C ATOM 1118 CD1 ILE A 65 -5.382 -0.059 0.426 1.00 0.00 C ATOM 0 H ILE A 65 -7.279 -3.435 1.856 1.00 0.00 H new ATOM 0 HA ILE A 65 -5.489 -2.892 4.117 1.00 0.00 H new ATOM 0 HB ILE A 65 -4.629 -1.056 2.757 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -6.512 -1.865 0.532 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -6.973 -0.657 1.715 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -3.710 -2.333 0.862 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -3.686 -3.282 2.367 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -4.926 -3.604 1.132 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -6.061 0.391 -0.298 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -5.011 0.711 1.103 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -4.543 -0.516 -0.098 1.00 0.00 H new ATOM 1130 N ASN A 66 -6.565 -0.672 4.875 1.00 0.00 N ATOM 1131 CA ASN A 66 -7.364 0.360 5.526 1.00 0.00 C ATOM 1132 C ASN A 66 -6.818 1.750 5.213 1.00 0.00 C ATOM 1133 O ASN A 66 -5.648 2.039 5.463 1.00 0.00 O ATOM 1134 CB ASN A 66 -7.387 0.137 7.039 1.00 0.00 C ATOM 1135 CG ASN A 66 -8.441 -0.868 7.460 1.00 0.00 C ATOM 1136 OD1 ASN A 66 -9.640 -0.623 7.320 1.00 0.00 O ATOM 1137 ND2 ASN A 66 -7.999 -2.008 7.979 1.00 0.00 N ATOM 0 H ASN A 66 -5.603 -0.733 5.208 1.00 0.00 H new ATOM 0 HA ASN A 66 -8.381 0.294 5.140 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -6.407 -0.210 7.367 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -7.574 1.087 7.541 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -8.662 -2.722 8.280 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -6.997 -2.169 8.077 1.00 0.00 H new ATOM 1144 N VAL A 67 -7.674 2.607 4.666 1.00 0.00 N ATOM 1145 CA VAL A 67 -7.278 3.967 4.321 1.00 0.00 C ATOM 1146 C VAL A 67 -8.012 4.988 5.183 1.00 0.00 C ATOM 1147 O VAL A 67 -9.237 5.090 5.134 1.00 0.00 O ATOM 1148 CB VAL A 67 -7.554 4.272 2.836 1.00 0.00 C ATOM 1149 CG1 VAL A 67 -6.942 5.608 2.443 1.00 0.00 C ATOM 1150 CG2 VAL A 67 -7.023 3.152 1.955 1.00 0.00 C ATOM 0 H VAL A 67 -8.646 2.384 4.452 1.00 0.00 H new ATOM 0 HA VAL A 67 -6.207 4.042 4.507 1.00 0.00 H new ATOM 0 HB VAL A 67 -8.632 4.337 2.690 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -7.147 5.807 1.391 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -7.376 6.400 3.053 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -5.864 5.576 2.603 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -7.226 3.384 0.910 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -5.948 3.052 2.102 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -7.514 2.216 2.221 1.00 0.00 H new ATOM 1160 N GLU A 68 -7.253 5.742 5.972 1.00 0.00 N ATOM 1161 CA GLU A 68 -7.832 6.756 6.845 1.00 0.00 C ATOM 1162 C GLU A 68 -6.911 7.968 6.958 1.00 0.00 C ATOM 1163 O GLU A 68 -5.713 7.830 7.205 1.00 0.00 O ATOM 1164 CB GLU A 68 -8.097 6.172 8.235 1.00 0.00 C ATOM 1165 CG GLU A 68 -6.848 5.648 8.923 1.00 0.00 C ATOM 1166 CD GLU A 68 -7.159 4.896 10.202 1.00 0.00 C ATOM 1167 OE1 GLU A 68 -7.728 5.511 11.128 1.00 0.00 O ATOM 1168 OE2 GLU A 68 -6.833 3.692 10.278 1.00 0.00 O ATOM 0 H GLU A 68 -6.237 5.670 6.024 1.00 0.00 H new ATOM 0 HA GLU A 68 -8.777 7.079 6.407 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -8.552 6.939 8.862 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -8.821 5.362 8.147 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -6.311 4.990 8.240 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -6.185 6.483 9.149 1.00 0.00 H new ATOM 1175 N ALA A 69 -7.479 9.155 6.774 1.00 0.00 N ATOM 1176 CA ALA A 69 -6.711 10.391 6.856 1.00 0.00 C ATOM 1177 C ALA A 69 -6.023 10.521 8.210 1.00 0.00 C ATOM 1178 O ALA A 69 -6.618 10.237 9.250 1.00 0.00 O ATOM 1179 CB ALA A 69 -7.612 11.590 6.602 1.00 0.00 C ATOM 0 H ALA A 69 -8.469 9.287 6.567 1.00 0.00 H new ATOM 0 HA ALA A 69 -5.939 10.362 6.087 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -7.025 12.506 6.666 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -8.052 11.510 5.608 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -8.405 11.614 7.349 1.00 0.00 H new