USER MOD reduce.3.24.130724 H: found=0, std=0, add=611, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 612 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 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot -140:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= -0.203 X(o=-0.2,f=-0.38) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 73:sc= 0.612 USER MOD Single : A 33 GLN : amide:sc= -1.53! C(o=-1.5!,f=-2.9!) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= 0.0317 K(o=0.032,f=-1.5) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= 0.638 K(o=0.64,f=-0.5) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= -0.357 USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 THR OG1 : rot 81:sc= 1.12 USER MOD Single : A 58 TYR OH : rot 80:sc= -1.79! USER MOD Single : A 60 GLN : amide:sc= -0.51 K(o=-0.51,f=-1.6) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc=-0.00107 USER MOD Single : A 66 THR OG1 : rot 69:sc= 1.24 USER MOD Single : A 68 GLN :FLIP amide:sc= -0.159 F(o=-0.93,f=-0.16) USER MOD Single : A 71 SER OG : rot 85:sc= 1.28 USER MOD ----------------------------------------------------------------- ATOM 77 N LYS A 6 -6.610 -11.201 -0.950 1.00 0.00 N ATOM 78 CA LYS A 6 -5.282 -10.785 -0.593 1.00 0.00 C ATOM 79 C LYS A 6 -4.930 -9.564 -1.417 1.00 0.00 C ATOM 80 O LYS A 6 -5.179 -9.528 -2.642 1.00 0.00 O ATOM 81 CB LYS A 6 -4.265 -11.934 -0.755 1.00 0.00 C ATOM 82 CG LYS A 6 -4.212 -12.581 -2.139 1.00 0.00 C ATOM 83 CD LYS A 6 -3.267 -13.787 -2.165 1.00 0.00 C ATOM 84 CE LYS A 6 -3.749 -14.905 -1.239 1.00 0.00 C ATOM 85 NZ LYS A 6 -2.854 -16.080 -1.256 1.00 0.00 N ATOM 0 HA LYS A 6 -5.243 -10.517 0.463 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -3.273 -11.553 -0.514 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -4.497 -12.706 -0.022 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -5.213 -12.897 -2.432 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -3.883 -11.845 -2.872 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -3.190 -14.167 -3.184 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -2.267 -13.472 -1.865 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -3.822 -14.523 -0.221 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -4.752 -15.212 -1.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -3.225 -16.808 -0.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -2.803 -16.464 -2.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -1.903 -15.796 -0.946 1.00 0.00 H new ATOM 99 N LEU A 7 -4.413 -8.565 -0.771 1.00 0.00 N ATOM 100 CA LEU A 7 -4.180 -7.305 -1.418 1.00 0.00 C ATOM 101 C LEU A 7 -2.774 -7.263 -1.975 1.00 0.00 C ATOM 102 O LEU A 7 -1.801 -7.335 -1.232 1.00 0.00 O ATOM 103 CB LEU A 7 -4.415 -6.158 -0.432 1.00 0.00 C ATOM 104 CG LEU A 7 -5.737 -6.202 0.359 1.00 0.00 C ATOM 105 CD1 LEU A 7 -5.879 -4.977 1.240 1.00 0.00 C ATOM 106 CD2 LEU A 7 -6.938 -6.346 -0.566 1.00 0.00 C ATOM 0 H LEU A 7 -4.141 -8.596 0.212 1.00 0.00 H new ATOM 0 HA LEU A 7 -4.879 -7.190 -2.246 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -3.590 -6.144 0.280 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -4.377 -5.219 -0.983 1.00 0.00 H new ATOM 0 HG LEU A 7 -5.708 -7.083 1.000 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -6.819 -5.030 1.788 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -5.049 -4.938 1.946 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -5.871 -4.080 0.620 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -7.852 -6.374 0.027 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -6.974 -5.498 -1.250 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -6.848 -7.270 -1.138 1.00 0.00 H new ATOM 118 N VAL A 8 -2.680 -7.175 -3.276 1.00 0.00 N ATOM 119 CA VAL A 8 -1.409 -7.169 -3.957 1.00 0.00 C ATOM 120 C VAL A 8 -0.923 -5.748 -4.200 1.00 0.00 C ATOM 121 O VAL A 8 -1.550 -4.969 -4.940 1.00 0.00 O ATOM 122 CB VAL A 8 -1.479 -7.944 -5.300 1.00 0.00 C ATOM 123 CG1 VAL A 8 -0.143 -7.918 -6.025 1.00 0.00 C ATOM 124 CG2 VAL A 8 -1.898 -9.377 -5.053 1.00 0.00 C ATOM 0 H VAL A 8 -3.486 -7.105 -3.897 1.00 0.00 H new ATOM 0 HA VAL A 8 -0.695 -7.675 -3.307 1.00 0.00 H new ATOM 0 HB VAL A 8 -2.219 -7.452 -5.931 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -0.226 -8.470 -6.961 1.00 0.00 H new ATOM 0 HG12 VAL A 8 0.137 -6.886 -6.236 1.00 0.00 H new ATOM 0 HG13 VAL A 8 0.620 -8.380 -5.399 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -1.944 -9.911 -6.002 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -1.173 -9.861 -4.399 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -2.880 -9.393 -4.580 1.00 0.00 H new ATOM 134 N LEU A 9 0.154 -5.422 -3.552 1.00 0.00 N ATOM 135 CA LEU A 9 0.820 -4.160 -3.700 1.00 0.00 C ATOM 136 C LEU A 9 2.034 -4.379 -4.594 1.00 0.00 C ATOM 137 O LEU A 9 2.863 -5.248 -4.315 1.00 0.00 O ATOM 138 CB LEU A 9 1.264 -3.649 -2.316 1.00 0.00 C ATOM 139 CG LEU A 9 2.001 -2.304 -2.280 1.00 0.00 C ATOM 140 CD1 LEU A 9 1.113 -1.187 -2.783 1.00 0.00 C ATOM 141 CD2 LEU A 9 2.495 -2.001 -0.871 1.00 0.00 C ATOM 0 H LEU A 9 0.609 -6.045 -2.885 1.00 0.00 H new ATOM 0 HA LEU A 9 0.155 -3.419 -4.144 1.00 0.00 H new ATOM 0 HB2 LEU A 9 0.380 -3.569 -1.684 1.00 0.00 H new ATOM 0 HB3 LEU A 9 1.910 -4.403 -1.867 1.00 0.00 H new ATOM 0 HG LEU A 9 2.865 -2.374 -2.941 1.00 0.00 H new ATOM 0 HD11 LEU A 9 1.659 -0.244 -2.747 1.00 0.00 H new ATOM 0 HD12 LEU A 9 0.814 -1.395 -3.810 1.00 0.00 H new ATOM 0 HD13 LEU A 9 0.226 -1.116 -2.154 1.00 0.00 H new ATOM 0 HD21 LEU A 9 3.015 -1.043 -0.866 1.00 0.00 H new ATOM 0 HD22 LEU A 9 1.646 -1.956 -0.189 1.00 0.00 H new ATOM 0 HD23 LEU A 9 3.178 -2.787 -0.548 1.00 0.00 H new ATOM 153 N ASP A 10 2.119 -3.639 -5.664 1.00 0.00 N ATOM 154 CA ASP A 10 3.226 -3.775 -6.596 1.00 0.00 C ATOM 155 C ASP A 10 4.329 -2.822 -6.190 1.00 0.00 C ATOM 156 O ASP A 10 4.165 -1.597 -6.265 1.00 0.00 O ATOM 157 CB ASP A 10 2.795 -3.453 -8.019 1.00 0.00 C ATOM 158 CG ASP A 10 3.822 -3.911 -9.043 1.00 0.00 C ATOM 159 OD1 ASP A 10 4.881 -3.273 -9.172 1.00 0.00 O ATOM 160 OD2 ASP A 10 3.555 -4.891 -9.778 1.00 0.00 O ATOM 0 H ASP A 10 1.435 -2.928 -5.922 1.00 0.00 H new ATOM 0 HA ASP A 10 3.575 -4.807 -6.567 1.00 0.00 H new ATOM 0 HB2 ASP A 10 1.838 -3.933 -8.225 1.00 0.00 H new ATOM 0 HB3 ASP A 10 2.640 -2.378 -8.117 1.00 0.00 H new ATOM 165 N LEU A 11 5.438 -3.371 -5.782 1.00 0.00 N ATOM 166 CA LEU A 11 6.542 -2.597 -5.253 1.00 0.00 C ATOM 167 C LEU A 11 7.376 -1.974 -6.362 1.00 0.00 C ATOM 168 O LEU A 11 8.095 -0.994 -6.134 1.00 0.00 O ATOM 169 CB LEU A 11 7.415 -3.472 -4.358 1.00 0.00 C ATOM 170 CG LEU A 11 6.699 -4.150 -3.184 1.00 0.00 C ATOM 171 CD1 LEU A 11 7.670 -4.991 -2.389 1.00 0.00 C ATOM 172 CD2 LEU A 11 6.025 -3.125 -2.282 1.00 0.00 C ATOM 0 H LEU A 11 5.610 -4.376 -5.804 1.00 0.00 H new ATOM 0 HA LEU A 11 6.124 -1.783 -4.661 1.00 0.00 H new ATOM 0 HB2 LEU A 11 7.874 -4.245 -4.974 1.00 0.00 H new ATOM 0 HB3 LEU A 11 8.224 -2.859 -3.960 1.00 0.00 H new ATOM 0 HG LEU A 11 5.925 -4.799 -3.594 1.00 0.00 H new ATOM 0 HD11 LEU A 11 7.146 -5.465 -1.559 1.00 0.00 H new ATOM 0 HD12 LEU A 11 8.099 -5.758 -3.033 1.00 0.00 H new ATOM 0 HD13 LEU A 11 8.467 -4.357 -2.000 1.00 0.00 H new ATOM 0 HD21 LEU A 11 5.526 -3.637 -1.459 1.00 0.00 H new ATOM 0 HD22 LEU A 11 6.775 -2.442 -1.883 1.00 0.00 H new ATOM 0 HD23 LEU A 11 5.291 -2.561 -2.857 1.00 0.00 H new ATOM 184 N GLU A 12 7.259 -2.507 -7.559 1.00 0.00 N ATOM 185 CA GLU A 12 8.030 -2.014 -8.682 1.00 0.00 C ATOM 186 C GLU A 12 7.355 -0.779 -9.227 1.00 0.00 C ATOM 187 O GLU A 12 7.998 0.232 -9.553 1.00 0.00 O ATOM 188 CB GLU A 12 8.122 -3.064 -9.770 1.00 0.00 C ATOM 189 CG GLU A 12 8.573 -4.414 -9.274 1.00 0.00 C ATOM 190 CD GLU A 12 8.905 -5.334 -10.397 1.00 0.00 C ATOM 191 OE1 GLU A 12 7.999 -5.977 -10.953 1.00 0.00 O ATOM 192 OE2 GLU A 12 10.099 -5.422 -10.750 1.00 0.00 O ATOM 0 H GLU A 12 6.636 -3.284 -7.781 1.00 0.00 H new ATOM 0 HA GLU A 12 9.040 -1.777 -8.348 1.00 0.00 H new ATOM 0 HB2 GLU A 12 7.146 -3.169 -10.245 1.00 0.00 H new ATOM 0 HB3 GLU A 12 8.815 -2.719 -10.538 1.00 0.00 H new ATOM 0 HG2 GLU A 12 9.447 -4.292 -8.633 1.00 0.00 H new ATOM 0 HG3 GLU A 12 7.788 -4.857 -8.661 1.00 0.00 H new ATOM 199 N ARG A 13 6.049 -0.857 -9.291 1.00 0.00 N ATOM 200 CA ARG A 13 5.217 0.242 -9.712 1.00 0.00 C ATOM 201 C ARG A 13 5.367 1.357 -8.687 1.00 0.00 C ATOM 202 O ARG A 13 5.472 2.532 -9.023 1.00 0.00 O ATOM 203 CB ARG A 13 3.762 -0.220 -9.754 1.00 0.00 C ATOM 204 CG ARG A 13 2.801 0.671 -10.532 1.00 0.00 C ATOM 205 CD ARG A 13 3.034 0.571 -12.040 1.00 0.00 C ATOM 206 NE ARG A 13 4.248 1.263 -12.508 1.00 0.00 N ATOM 207 CZ ARG A 13 5.258 0.684 -13.181 1.00 0.00 C ATOM 208 NH1 ARG A 13 5.373 -0.645 -13.212 1.00 0.00 N ATOM 209 NH2 ARG A 13 6.175 1.435 -13.776 1.00 0.00 N ATOM 0 H ARG A 13 5.526 -1.699 -9.048 1.00 0.00 H new ATOM 0 HA ARG A 13 5.509 0.593 -10.702 1.00 0.00 H new ATOM 0 HB2 ARG A 13 3.731 -1.220 -10.188 1.00 0.00 H new ATOM 0 HB3 ARG A 13 3.399 -0.305 -8.730 1.00 0.00 H new ATOM 0 HG2 ARG A 13 1.774 0.387 -10.303 1.00 0.00 H new ATOM 0 HG3 ARG A 13 2.924 1.706 -10.212 1.00 0.00 H new ATOM 0 HD2 ARG A 13 3.098 -0.481 -12.318 1.00 0.00 H new ATOM 0 HD3 ARG A 13 2.170 0.985 -12.559 1.00 0.00 H new ATOM 0 HE ARG A 13 4.328 2.259 -12.306 1.00 0.00 H new ATOM 0 HH11 ARG A 13 4.693 -1.227 -12.724 1.00 0.00 H new ATOM 0 HH12 ARG A 13 6.141 -1.079 -13.724 1.00 0.00 H new ATOM 0 HH21 ARG A 13 6.114 2.452 -13.723 1.00 0.00 H new ATOM 0 HH22 ARG A 13 6.941 0.996 -14.286 1.00 0.00 H new ATOM 223 N LEU A 14 5.447 0.941 -7.429 1.00 0.00 N ATOM 224 CA LEU A 14 5.602 1.827 -6.285 1.00 0.00 C ATOM 225 C LEU A 14 6.935 2.561 -6.333 1.00 0.00 C ATOM 226 O LEU A 14 7.057 3.692 -5.863 1.00 0.00 O ATOM 227 CB LEU A 14 5.496 1.011 -4.999 1.00 0.00 C ATOM 228 CG LEU A 14 5.591 1.776 -3.693 1.00 0.00 C ATOM 229 CD1 LEU A 14 4.459 2.775 -3.587 1.00 0.00 C ATOM 230 CD2 LEU A 14 5.573 0.812 -2.520 1.00 0.00 C ATOM 0 H LEU A 14 5.405 -0.045 -7.171 1.00 0.00 H new ATOM 0 HA LEU A 14 4.810 2.575 -6.313 1.00 0.00 H new ATOM 0 HB2 LEU A 14 4.545 0.479 -5.012 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.283 0.257 -5.009 1.00 0.00 H new ATOM 0 HG LEU A 14 6.533 2.325 -3.672 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.539 3.317 -2.645 1.00 0.00 H new ATOM 0 HD12 LEU A 14 4.516 3.479 -4.417 1.00 0.00 H new ATOM 0 HD13 LEU A 14 3.505 2.249 -3.623 1.00 0.00 H new ATOM 0 HD21 LEU A 14 5.642 1.372 -1.588 1.00 0.00 H new ATOM 0 HD22 LEU A 14 4.645 0.241 -2.533 1.00 0.00 H new ATOM 0 HD23 LEU A 14 6.420 0.130 -2.597 1.00 0.00 H new ATOM 242 N ALA A 15 7.915 1.933 -6.944 1.00 0.00 N ATOM 243 CA ALA A 15 9.235 2.518 -7.062 1.00 0.00 C ATOM 244 C ALA A 15 9.242 3.591 -8.139 1.00 0.00 C ATOM 245 O ALA A 15 10.173 4.386 -8.239 1.00 0.00 O ATOM 246 CB ALA A 15 10.273 1.447 -7.366 1.00 0.00 C ATOM 0 H ALA A 15 7.823 1.011 -7.370 1.00 0.00 H new ATOM 0 HA ALA A 15 9.494 2.981 -6.110 1.00 0.00 H new ATOM 0 HB1 ALA A 15 11.257 1.908 -7.451 1.00 0.00 H new ATOM 0 HB2 ALA A 15 10.284 0.712 -6.561 1.00 0.00 H new ATOM 0 HB3 ALA A 15 10.022 0.953 -8.305 1.00 0.00 H new ATOM 252 N THR A 16 8.185 3.630 -8.922 1.00 0.00 N ATOM 253 CA THR A 16 8.069 4.592 -9.983 1.00 0.00 C ATOM 254 C THR A 16 7.216 5.785 -9.490 1.00 0.00 C ATOM 255 O THR A 16 6.990 6.763 -10.206 1.00 0.00 O ATOM 256 CB THR A 16 7.409 3.927 -11.209 1.00 0.00 C ATOM 257 OG1 THR A 16 7.961 2.597 -11.368 1.00 0.00 O ATOM 258 CG2 THR A 16 7.708 4.722 -12.475 1.00 0.00 C ATOM 0 H THR A 16 7.389 2.997 -8.837 1.00 0.00 H new ATOM 0 HA THR A 16 9.056 4.954 -10.271 1.00 0.00 H new ATOM 0 HB THR A 16 6.331 3.890 -11.053 1.00 0.00 H new ATOM 0 HG1 THR A 16 8.101 2.413 -12.320 1.00 0.00 H new ATOM 0 HG21 THR A 16 7.234 4.238 -13.329 1.00 0.00 H new ATOM 0 HG22 THR A 16 7.318 5.734 -12.370 1.00 0.00 H new ATOM 0 HG23 THR A 16 8.786 4.763 -12.633 1.00 0.00 H new ATOM 266 N VAL A 17 6.754 5.686 -8.265 1.00 0.00 N ATOM 267 CA VAL A 17 5.956 6.722 -7.664 1.00 0.00 C ATOM 268 C VAL A 17 6.872 7.582 -6.807 1.00 0.00 C ATOM 269 O VAL A 17 7.664 7.035 -6.033 1.00 0.00 O ATOM 270 CB VAL A 17 4.811 6.119 -6.789 1.00 0.00 C ATOM 271 CG1 VAL A 17 3.963 7.213 -6.139 1.00 0.00 C ATOM 272 CG2 VAL A 17 3.933 5.204 -7.625 1.00 0.00 C ATOM 0 H VAL A 17 6.923 4.883 -7.659 1.00 0.00 H new ATOM 0 HA VAL A 17 5.487 7.320 -8.445 1.00 0.00 H new ATOM 0 HB VAL A 17 5.276 5.539 -5.992 1.00 0.00 H new ATOM 0 HG11 VAL A 17 3.177 6.755 -5.538 1.00 0.00 H new ATOM 0 HG12 VAL A 17 4.594 7.831 -5.501 1.00 0.00 H new ATOM 0 HG13 VAL A 17 3.513 7.833 -6.914 1.00 0.00 H new ATOM 0 HG21 VAL A 17 3.140 4.791 -7.001 1.00 0.00 H new ATOM 0 HG22 VAL A 17 3.492 5.772 -8.444 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.536 4.391 -8.030 1.00 0.00 H new ATOM 282 N PRO A 18 6.831 8.926 -7.003 1.00 0.00 N ATOM 283 CA PRO A 18 7.618 9.904 -6.243 1.00 0.00 C ATOM 284 C PRO A 18 7.787 9.548 -4.765 1.00 0.00 C ATOM 285 O PRO A 18 6.801 9.248 -4.051 1.00 0.00 O ATOM 286 CB PRO A 18 6.788 11.170 -6.392 1.00 0.00 C ATOM 287 CG PRO A 18 6.256 11.075 -7.773 1.00 0.00 C ATOM 288 CD PRO A 18 6.031 9.603 -8.039 1.00 0.00 C ATOM 0 HA PRO A 18 8.641 9.974 -6.612 1.00 0.00 H new ATOM 0 HB2 PRO A 18 5.986 11.213 -5.655 1.00 0.00 H new ATOM 0 HB3 PRO A 18 7.394 12.066 -6.256 1.00 0.00 H new ATOM 0 HG2 PRO A 18 5.326 11.635 -7.871 1.00 0.00 H new ATOM 0 HG3 PRO A 18 6.959 11.497 -8.491 1.00 0.00 H new ATOM 0 HD2 PRO A 18 4.976 9.341 -7.963 1.00 0.00 H new ATOM 0 HD3 PRO A 18 6.358 9.324 -9.041 1.00 0.00 H new ATOM 296 N ALA A 19 9.029 9.616 -4.313 1.00 0.00 N ATOM 297 CA ALA A 19 9.430 9.259 -2.956 1.00 0.00 C ATOM 298 C ALA A 19 8.738 10.120 -1.897 1.00 0.00 C ATOM 299 O ALA A 19 8.688 9.749 -0.731 1.00 0.00 O ATOM 300 CB ALA A 19 10.944 9.344 -2.816 1.00 0.00 C ATOM 0 H ALA A 19 9.808 9.929 -4.892 1.00 0.00 H new ATOM 0 HA ALA A 19 9.112 8.231 -2.782 1.00 0.00 H new ATOM 0 HB1 ALA A 19 11.231 9.075 -1.799 1.00 0.00 H new ATOM 0 HB2 ALA A 19 11.414 8.656 -3.519 1.00 0.00 H new ATOM 0 HB3 ALA A 19 11.273 10.361 -3.029 1.00 0.00 H new ATOM 306 N GLU A 20 8.210 11.259 -2.300 1.00 0.00 N ATOM 307 CA GLU A 20 7.461 12.117 -1.397 1.00 0.00 C ATOM 308 C GLU A 20 6.194 11.382 -0.919 1.00 0.00 C ATOM 309 O GLU A 20 5.788 11.494 0.234 1.00 0.00 O ATOM 310 CB GLU A 20 7.073 13.412 -2.110 1.00 0.00 C ATOM 311 CG GLU A 20 6.492 14.484 -1.195 1.00 0.00 C ATOM 312 CD GLU A 20 7.494 14.946 -0.160 1.00 0.00 C ATOM 313 OE1 GLU A 20 8.467 15.637 -0.536 1.00 0.00 O ATOM 314 OE2 GLU A 20 7.331 14.644 1.035 1.00 0.00 O ATOM 0 H GLU A 20 8.286 11.615 -3.253 1.00 0.00 H new ATOM 0 HA GLU A 20 8.082 12.361 -0.535 1.00 0.00 H new ATOM 0 HB2 GLU A 20 7.954 13.816 -2.609 1.00 0.00 H new ATOM 0 HB3 GLU A 20 6.344 13.181 -2.887 1.00 0.00 H new ATOM 0 HG2 GLU A 20 6.169 15.336 -1.793 1.00 0.00 H new ATOM 0 HG3 GLU A 20 5.607 14.093 -0.694 1.00 0.00 H new ATOM 321 N LYS A 21 5.603 10.594 -1.808 1.00 0.00 N ATOM 322 CA LYS A 21 4.394 9.859 -1.473 1.00 0.00 C ATOM 323 C LYS A 21 4.749 8.421 -1.113 1.00 0.00 C ATOM 324 O LYS A 21 4.312 7.890 -0.102 1.00 0.00 O ATOM 325 CB LYS A 21 3.412 9.833 -2.663 1.00 0.00 C ATOM 326 CG LYS A 21 3.079 11.191 -3.268 1.00 0.00 C ATOM 327 CD LYS A 21 2.121 11.040 -4.447 1.00 0.00 C ATOM 328 CE LYS A 21 1.879 12.368 -5.141 1.00 0.00 C ATOM 329 NZ LYS A 21 0.934 12.252 -6.275 1.00 0.00 N ATOM 0 H LYS A 21 5.940 10.449 -2.760 1.00 0.00 H new ATOM 0 HA LYS A 21 3.922 10.361 -0.628 1.00 0.00 H new ATOM 0 HB2 LYS A 21 3.832 9.200 -3.444 1.00 0.00 H new ATOM 0 HB3 LYS A 21 2.484 9.363 -2.336 1.00 0.00 H new ATOM 0 HG2 LYS A 21 2.630 11.832 -2.509 1.00 0.00 H new ATOM 0 HG3 LYS A 21 3.995 11.681 -3.598 1.00 0.00 H new ATOM 0 HD2 LYS A 21 2.530 10.325 -5.160 1.00 0.00 H new ATOM 0 HD3 LYS A 21 1.172 10.633 -4.097 1.00 0.00 H new ATOM 0 HE2 LYS A 21 1.489 13.086 -4.419 1.00 0.00 H new ATOM 0 HE3 LYS A 21 2.828 12.764 -5.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 0.803 13.185 -6.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 1.316 11.588 -6.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 0.018 11.901 -5.929 1.00 0.00 H new ATOM 343 N ALA A 22 5.590 7.818 -1.934 1.00 0.00 N ATOM 344 CA ALA A 22 5.910 6.402 -1.818 1.00 0.00 C ATOM 345 C ALA A 22 7.027 6.101 -0.823 1.00 0.00 C ATOM 346 O ALA A 22 7.261 4.942 -0.505 1.00 0.00 O ATOM 347 CB ALA A 22 6.274 5.852 -3.181 1.00 0.00 C ATOM 0 H ALA A 22 6.070 8.292 -2.699 1.00 0.00 H new ATOM 0 HA ALA A 22 5.017 5.913 -1.429 1.00 0.00 H new ATOM 0 HB1 ALA A 22 6.513 4.792 -3.094 1.00 0.00 H new ATOM 0 HB2 ALA A 22 5.432 5.979 -3.861 1.00 0.00 H new ATOM 0 HB3 ALA A 22 7.139 6.388 -3.571 1.00 0.00 H new ATOM 353 N GLY A 23 7.687 7.130 -0.332 1.00 0.00 N ATOM 354 CA GLY A 23 8.827 6.968 0.585 1.00 0.00 C ATOM 355 C GLY A 23 8.520 6.130 1.822 1.00 0.00 C ATOM 356 O GLY A 23 9.055 5.023 1.968 1.00 0.00 O ATOM 0 H GLY A 23 7.461 8.101 -0.547 1.00 0.00 H new ATOM 0 HA2 GLY A 23 9.652 6.506 0.043 1.00 0.00 H new ATOM 0 HA3 GLY A 23 9.166 7.954 0.903 1.00 0.00 H new ATOM 360 N PRO A 24 7.647 6.610 2.737 1.00 0.00 N ATOM 361 CA PRO A 24 7.288 5.861 3.952 1.00 0.00 C ATOM 362 C PRO A 24 6.590 4.540 3.625 1.00 0.00 C ATOM 363 O PRO A 24 6.653 3.579 4.396 1.00 0.00 O ATOM 364 CB PRO A 24 6.339 6.804 4.699 1.00 0.00 C ATOM 365 CG PRO A 24 5.846 7.758 3.664 1.00 0.00 C ATOM 366 CD PRO A 24 6.969 7.921 2.686 1.00 0.00 C ATOM 0 HA PRO A 24 8.167 5.586 4.535 1.00 0.00 H new ATOM 0 HB2 PRO A 24 5.515 6.255 5.154 1.00 0.00 H new ATOM 0 HB3 PRO A 24 6.856 7.327 5.504 1.00 0.00 H new ATOM 0 HG2 PRO A 24 4.953 7.373 3.172 1.00 0.00 H new ATOM 0 HG3 PRO A 24 5.576 8.715 4.112 1.00 0.00 H new ATOM 0 HD2 PRO A 24 6.602 8.147 1.685 1.00 0.00 H new ATOM 0 HD3 PRO A 24 7.638 8.733 2.971 1.00 0.00 H new ATOM 374 N LEU A 25 5.983 4.492 2.461 1.00 0.00 N ATOM 375 CA LEU A 25 5.277 3.323 2.009 1.00 0.00 C ATOM 376 C LEU A 25 6.254 2.209 1.654 1.00 0.00 C ATOM 377 O LEU A 25 6.086 1.077 2.092 1.00 0.00 O ATOM 378 CB LEU A 25 4.330 3.696 0.856 1.00 0.00 C ATOM 379 CG LEU A 25 3.539 2.567 0.178 1.00 0.00 C ATOM 380 CD1 LEU A 25 2.822 1.703 1.194 1.00 0.00 C ATOM 381 CD2 LEU A 25 2.520 3.169 -0.754 1.00 0.00 C ATOM 0 H LEU A 25 5.967 5.269 1.800 1.00 0.00 H new ATOM 0 HA LEU A 25 4.655 2.933 2.814 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.613 4.425 1.235 1.00 0.00 H new ATOM 0 HB3 LEU A 25 4.920 4.198 0.089 1.00 0.00 H new ATOM 0 HG LEU A 25 4.244 1.941 -0.370 1.00 0.00 H new ATOM 0 HD11 LEU A 25 2.273 0.915 0.679 1.00 0.00 H new ATOM 0 HD12 LEU A 25 3.551 1.255 1.870 1.00 0.00 H new ATOM 0 HD13 LEU A 25 2.126 2.316 1.766 1.00 0.00 H new ATOM 0 HD21 LEU A 25 1.955 2.373 -1.239 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.839 3.804 -0.187 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.028 3.766 -1.511 1.00 0.00 H new ATOM 393 N GLN A 26 7.303 2.544 0.912 1.00 0.00 N ATOM 394 CA GLN A 26 8.349 1.578 0.569 1.00 0.00 C ATOM 395 C GLN A 26 9.052 1.084 1.831 1.00 0.00 C ATOM 396 O GLN A 26 9.357 -0.105 1.961 1.00 0.00 O ATOM 397 CB GLN A 26 9.361 2.187 -0.400 1.00 0.00 C ATOM 398 CG GLN A 26 8.811 2.455 -1.795 1.00 0.00 C ATOM 399 CD GLN A 26 9.792 3.191 -2.682 1.00 0.00 C ATOM 400 OE1 GLN A 26 11.010 3.068 -2.532 1.00 0.00 O ATOM 401 NE2 GLN A 26 9.282 3.941 -3.620 1.00 0.00 N ATOM 0 H GLN A 26 7.455 3.479 0.534 1.00 0.00 H new ATOM 0 HA GLN A 26 7.876 0.729 0.076 1.00 0.00 H new ATOM 0 HB2 GLN A 26 9.729 3.124 0.019 1.00 0.00 H new ATOM 0 HB3 GLN A 26 10.217 1.517 -0.482 1.00 0.00 H new ATOM 0 HG2 GLN A 26 8.545 1.508 -2.264 1.00 0.00 H new ATOM 0 HG3 GLN A 26 7.894 3.039 -1.713 1.00 0.00 H new ATOM 0 HE21 GLN A 26 8.270 4.020 -3.716 1.00 0.00 H new ATOM 0 HE22 GLN A 26 9.896 4.448 -4.258 1.00 0.00 H new ATOM 410 N ARG A 27 9.266 2.000 2.767 1.00 0.00 N ATOM 411 CA ARG A 27 9.889 1.678 4.051 1.00 0.00 C ATOM 412 C ARG A 27 9.056 0.661 4.816 1.00 0.00 C ATOM 413 O ARG A 27 9.579 -0.355 5.323 1.00 0.00 O ATOM 414 CB ARG A 27 10.030 2.926 4.908 1.00 0.00 C ATOM 415 CG ARG A 27 10.991 3.971 4.372 1.00 0.00 C ATOM 416 CD ARG A 27 11.013 5.195 5.271 1.00 0.00 C ATOM 417 NE ARG A 27 11.373 4.858 6.652 1.00 0.00 N ATOM 418 CZ ARG A 27 11.146 5.633 7.719 1.00 0.00 C ATOM 419 NH1 ARG A 27 10.576 6.839 7.580 1.00 0.00 N ATOM 420 NH2 ARG A 27 11.473 5.198 8.926 1.00 0.00 N ATOM 0 H ARG A 27 9.015 2.983 2.662 1.00 0.00 H new ATOM 0 HA ARG A 27 10.874 1.262 3.840 1.00 0.00 H new ATOM 0 HB2 ARG A 27 9.047 3.383 5.021 1.00 0.00 H new ATOM 0 HB3 ARG A 27 10.360 2.629 5.904 1.00 0.00 H new ATOM 0 HG2 ARG A 27 11.993 3.548 4.302 1.00 0.00 H new ATOM 0 HG3 ARG A 27 10.695 4.260 3.363 1.00 0.00 H new ATOM 0 HD2 ARG A 27 11.725 5.920 4.878 1.00 0.00 H new ATOM 0 HD3 ARG A 27 10.033 5.671 5.258 1.00 0.00 H new ATOM 0 HE ARG A 27 11.833 3.962 6.812 1.00 0.00 H new ATOM 0 HH11 ARG A 27 10.311 7.174 6.654 1.00 0.00 H new ATOM 0 HH12 ARG A 27 10.408 7.421 8.400 1.00 0.00 H new ATOM 0 HH21 ARG A 27 11.896 4.277 9.039 1.00 0.00 H new ATOM 0 HH22 ARG A 27 11.302 5.784 9.743 1.00 0.00 H new ATOM 434 N TYR A 28 7.765 0.911 4.888 1.00 0.00 N ATOM 435 CA TYR A 28 6.880 0.043 5.609 1.00 0.00 C ATOM 436 C TYR A 28 6.707 -1.271 4.853 1.00 0.00 C ATOM 437 O TYR A 28 6.596 -2.325 5.462 1.00 0.00 O ATOM 438 CB TYR A 28 5.534 0.717 5.866 1.00 0.00 C ATOM 439 CG TYR A 28 4.736 0.052 6.965 1.00 0.00 C ATOM 440 CD1 TYR A 28 5.033 0.306 8.293 1.00 0.00 C ATOM 441 CD2 TYR A 28 3.712 -0.829 6.686 1.00 0.00 C ATOM 442 CE1 TYR A 28 4.331 -0.292 9.312 1.00 0.00 C ATOM 443 CE2 TYR A 28 2.999 -1.435 7.704 1.00 0.00 C ATOM 444 CZ TYR A 28 3.314 -1.163 9.014 1.00 0.00 C ATOM 445 OH TYR A 28 2.604 -1.768 10.029 1.00 0.00 O ATOM 0 H TYR A 28 7.311 1.714 4.451 1.00 0.00 H new ATOM 0 HA TYR A 28 7.322 -0.174 6.581 1.00 0.00 H new ATOM 0 HB2 TYR A 28 5.702 1.761 6.129 1.00 0.00 H new ATOM 0 HB3 TYR A 28 4.950 0.710 4.946 1.00 0.00 H new ATOM 0 HD1 TYR A 28 5.834 0.989 8.534 1.00 0.00 H new ATOM 0 HD2 TYR A 28 3.464 -1.049 5.658 1.00 0.00 H new ATOM 0 HE1 TYR A 28 4.579 -0.077 10.341 1.00 0.00 H new ATOM 0 HE2 TYR A 28 2.197 -2.120 7.471 1.00 0.00 H new ATOM 0 HH TYR A 28 1.919 -2.354 9.645 1.00 0.00 H new ATOM 455 N ALA A 29 6.724 -1.202 3.530 1.00 0.00 N ATOM 456 CA ALA A 29 6.628 -2.387 2.678 1.00 0.00 C ATOM 457 C ALA A 29 7.795 -3.334 2.946 1.00 0.00 C ATOM 458 O ALA A 29 7.609 -4.553 3.051 1.00 0.00 O ATOM 459 CB ALA A 29 6.583 -1.998 1.209 1.00 0.00 C ATOM 0 H ALA A 29 6.804 -0.326 3.014 1.00 0.00 H new ATOM 0 HA ALA A 29 5.699 -2.904 2.920 1.00 0.00 H new ATOM 0 HB1 ALA A 29 6.512 -2.897 0.597 1.00 0.00 H new ATOM 0 HB2 ALA A 29 5.715 -1.365 1.027 1.00 0.00 H new ATOM 0 HB3 ALA A 29 7.490 -1.453 0.949 1.00 0.00 H new ATOM 465 N ALA A 30 8.992 -2.766 3.101 1.00 0.00 N ATOM 466 CA ALA A 30 10.181 -3.553 3.433 1.00 0.00 C ATOM 467 C ALA A 30 9.992 -4.225 4.796 1.00 0.00 C ATOM 468 O ALA A 30 10.342 -5.395 4.996 1.00 0.00 O ATOM 469 CB ALA A 30 11.419 -2.669 3.435 1.00 0.00 C ATOM 0 H ALA A 30 9.164 -1.765 3.002 1.00 0.00 H new ATOM 0 HA ALA A 30 10.319 -4.326 2.677 1.00 0.00 H new ATOM 0 HB1 ALA A 30 12.294 -3.269 3.684 1.00 0.00 H new ATOM 0 HB2 ALA A 30 11.551 -2.226 2.448 1.00 0.00 H new ATOM 0 HB3 ALA A 30 11.300 -1.878 4.175 1.00 0.00 H new ATOM 475 N THR A 31 9.388 -3.485 5.704 1.00 0.00 N ATOM 476 CA THR A 31 9.064 -3.968 7.027 1.00 0.00 C ATOM 477 C THR A 31 8.045 -5.142 6.939 1.00 0.00 C ATOM 478 O THR A 31 8.176 -6.151 7.638 1.00 0.00 O ATOM 479 CB THR A 31 8.498 -2.800 7.877 1.00 0.00 C ATOM 480 OG1 THR A 31 9.470 -1.734 7.929 1.00 0.00 O ATOM 481 CG2 THR A 31 8.171 -3.245 9.293 1.00 0.00 C ATOM 0 H THR A 31 9.106 -2.519 5.539 1.00 0.00 H new ATOM 0 HA THR A 31 9.966 -4.346 7.508 1.00 0.00 H new ATOM 0 HB THR A 31 7.577 -2.456 7.407 1.00 0.00 H new ATOM 0 HG1 THR A 31 9.504 -1.280 7.061 1.00 0.00 H new ATOM 0 HG21 THR A 31 7.777 -2.400 9.858 1.00 0.00 H new ATOM 0 HG22 THR A 31 7.426 -4.040 9.262 1.00 0.00 H new ATOM 0 HG23 THR A 31 9.075 -3.615 9.776 1.00 0.00 H new ATOM 489 N ILE A 32 7.072 -5.018 6.041 1.00 0.00 N ATOM 490 CA ILE A 32 6.078 -6.063 5.825 1.00 0.00 C ATOM 491 C ILE A 32 6.740 -7.326 5.257 1.00 0.00 C ATOM 492 O ILE A 32 6.405 -8.453 5.670 1.00 0.00 O ATOM 493 CB ILE A 32 4.926 -5.591 4.897 1.00 0.00 C ATOM 494 CG1 ILE A 32 4.174 -4.417 5.540 1.00 0.00 C ATOM 495 CG2 ILE A 32 3.961 -6.740 4.600 1.00 0.00 C ATOM 496 CD1 ILE A 32 3.064 -3.842 4.680 1.00 0.00 C ATOM 0 H ILE A 32 6.951 -4.197 5.447 1.00 0.00 H new ATOM 0 HA ILE A 32 5.639 -6.297 6.795 1.00 0.00 H new ATOM 0 HB ILE A 32 5.360 -5.258 3.954 1.00 0.00 H new ATOM 0 HG12 ILE A 32 3.749 -4.748 6.488 1.00 0.00 H new ATOM 0 HG13 ILE A 32 4.887 -3.625 5.769 1.00 0.00 H new ATOM 0 HG21 ILE A 32 3.163 -6.385 3.948 1.00 0.00 H new ATOM 0 HG22 ILE A 32 4.500 -7.549 4.107 1.00 0.00 H new ATOM 0 HG23 ILE A 32 3.532 -7.105 5.533 1.00 0.00 H new ATOM 0 HD11 ILE A 32 2.584 -3.018 5.208 1.00 0.00 H new ATOM 0 HD12 ILE A 32 3.482 -3.477 3.742 1.00 0.00 H new ATOM 0 HD13 ILE A 32 2.327 -4.617 4.471 1.00 0.00 H new ATOM 508 N GLN A 33 7.696 -7.147 4.333 1.00 0.00 N ATOM 509 CA GLN A 33 8.445 -8.286 3.817 1.00 0.00 C ATOM 510 C GLN A 33 9.200 -8.969 4.927 1.00 0.00 C ATOM 511 O GLN A 33 9.252 -10.175 4.970 1.00 0.00 O ATOM 512 CB GLN A 33 9.413 -7.949 2.685 1.00 0.00 C ATOM 513 CG GLN A 33 8.768 -7.658 1.341 1.00 0.00 C ATOM 514 CD GLN A 33 9.783 -7.632 0.200 1.00 0.00 C ATOM 515 OE1 GLN A 33 9.618 -6.925 -0.776 1.00 0.00 O ATOM 516 NE2 GLN A 33 10.820 -8.441 0.296 1.00 0.00 N ATOM 0 H GLN A 33 7.959 -6.244 3.940 1.00 0.00 H new ATOM 0 HA GLN A 33 7.692 -8.951 3.393 1.00 0.00 H new ATOM 0 HB2 GLN A 33 10.004 -7.082 2.981 1.00 0.00 H new ATOM 0 HB3 GLN A 33 10.107 -8.781 2.563 1.00 0.00 H new ATOM 0 HG2 GLN A 33 8.011 -8.415 1.133 1.00 0.00 H new ATOM 0 HG3 GLN A 33 8.254 -6.698 1.388 1.00 0.00 H new ATOM 0 HE21 GLN A 33 10.937 -9.024 1.125 1.00 0.00 H new ATOM 0 HE22 GLN A 33 11.505 -8.483 -0.458 1.00 0.00 H new ATOM 525 N SER A 34 9.753 -8.194 5.832 1.00 0.00 N ATOM 526 CA SER A 34 10.468 -8.733 6.965 1.00 0.00 C ATOM 527 C SER A 34 9.512 -9.568 7.845 1.00 0.00 C ATOM 528 O SER A 34 9.856 -10.672 8.264 1.00 0.00 O ATOM 529 CB SER A 34 11.118 -7.592 7.759 1.00 0.00 C ATOM 530 OG SER A 34 11.945 -8.072 8.817 1.00 0.00 O ATOM 0 H SER A 34 9.720 -7.175 5.803 1.00 0.00 H new ATOM 0 HA SER A 34 11.261 -9.395 6.617 1.00 0.00 H new ATOM 0 HB2 SER A 34 11.714 -6.977 7.085 1.00 0.00 H new ATOM 0 HB3 SER A 34 10.340 -6.950 8.172 1.00 0.00 H new ATOM 0 HG SER A 34 12.339 -7.312 9.294 1.00 0.00 H new ATOM 536 N GLN A 35 8.300 -9.047 8.072 1.00 0.00 N ATOM 537 CA GLN A 35 7.258 -9.755 8.839 1.00 0.00 C ATOM 538 C GLN A 35 6.951 -11.115 8.219 1.00 0.00 C ATOM 539 O GLN A 35 6.952 -12.136 8.895 1.00 0.00 O ATOM 540 CB GLN A 35 5.964 -8.956 8.845 1.00 0.00 C ATOM 541 CG GLN A 35 5.995 -7.652 9.605 1.00 0.00 C ATOM 542 CD GLN A 35 4.694 -6.900 9.435 1.00 0.00 C ATOM 543 OE1 GLN A 35 3.639 -7.505 9.220 1.00 0.00 O ATOM 544 NE2 GLN A 35 4.740 -5.607 9.554 1.00 0.00 N ATOM 0 H GLN A 35 8.011 -8.129 7.733 1.00 0.00 H new ATOM 0 HA GLN A 35 7.638 -9.880 9.853 1.00 0.00 H new ATOM 0 HB2 GLN A 35 5.686 -8.745 7.812 1.00 0.00 H new ATOM 0 HB3 GLN A 35 5.176 -9.581 9.266 1.00 0.00 H new ATOM 0 HG2 GLN A 35 6.172 -7.847 10.663 1.00 0.00 H new ATOM 0 HG3 GLN A 35 6.824 -7.039 9.250 1.00 0.00 H new ATOM 0 HE21 GLN A 35 5.631 -5.143 9.732 1.00 0.00 H new ATOM 0 HE22 GLN A 35 3.885 -5.056 9.470 1.00 0.00 H new ATOM 553 N ARG A 36 6.709 -11.109 6.925 1.00 0.00 N ATOM 554 CA ARG A 36 6.335 -12.316 6.200 1.00 0.00 C ATOM 555 C ARG A 36 7.526 -13.203 5.859 1.00 0.00 C ATOM 556 O ARG A 36 7.342 -14.349 5.421 1.00 0.00 O ATOM 557 CB ARG A 36 5.595 -11.969 4.898 1.00 0.00 C ATOM 558 CG ARG A 36 4.089 -11.736 4.999 1.00 0.00 C ATOM 559 CD ARG A 36 3.669 -10.521 5.823 1.00 0.00 C ATOM 560 NE ARG A 36 2.217 -10.343 5.698 1.00 0.00 N ATOM 561 CZ ARG A 36 1.473 -9.306 6.099 1.00 0.00 C ATOM 562 NH1 ARG A 36 1.959 -8.360 6.909 1.00 0.00 N ATOM 563 NH2 ARG A 36 0.203 -9.262 5.729 1.00 0.00 N ATOM 0 H ARG A 36 6.764 -10.273 6.343 1.00 0.00 H new ATOM 0 HA ARG A 36 5.681 -12.870 6.873 1.00 0.00 H new ATOM 0 HB2 ARG A 36 6.050 -11.071 4.479 1.00 0.00 H new ATOM 0 HB3 ARG A 36 5.766 -12.776 4.185 1.00 0.00 H new ATOM 0 HG2 ARG A 36 3.687 -11.628 3.992 1.00 0.00 H new ATOM 0 HG3 ARG A 36 3.629 -12.624 5.432 1.00 0.00 H new ATOM 0 HD2 ARG A 36 3.943 -10.661 6.869 1.00 0.00 H new ATOM 0 HD3 ARG A 36 4.190 -9.630 5.473 1.00 0.00 H new ATOM 0 HE ARG A 36 1.712 -11.107 5.249 1.00 0.00 H new ATOM 0 HH11 ARG A 36 2.922 -8.417 7.239 1.00 0.00 H new ATOM 0 HH12 ARG A 36 1.366 -7.581 7.197 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -0.186 -10.008 5.152 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -0.387 -8.483 6.021 1.00 0.00 H new ATOM 577 N GLY A 37 8.731 -12.691 6.052 1.00 0.00 N ATOM 578 CA GLY A 37 9.920 -13.398 5.604 1.00 0.00 C ATOM 579 C GLY A 37 9.888 -13.493 4.091 1.00 0.00 C ATOM 580 O GLY A 37 10.328 -14.478 3.492 1.00 0.00 O ATOM 0 H GLY A 37 8.911 -11.798 6.511 1.00 0.00 H new ATOM 0 HA2 GLY A 37 10.817 -12.873 5.931 1.00 0.00 H new ATOM 0 HA3 GLY A 37 9.956 -14.394 6.045 1.00 0.00 H new ATOM 584 N ASP A 38 9.355 -12.449 3.491 1.00 0.00 N ATOM 585 CA ASP A 38 9.085 -12.403 2.078 1.00 0.00 C ATOM 586 C ASP A 38 10.311 -11.956 1.321 1.00 0.00 C ATOM 587 O ASP A 38 11.124 -11.165 1.826 1.00 0.00 O ATOM 588 CB ASP A 38 7.895 -11.484 1.778 1.00 0.00 C ATOM 589 CG ASP A 38 7.446 -11.568 0.336 1.00 0.00 C ATOM 590 OD1 ASP A 38 8.011 -10.873 -0.510 1.00 0.00 O ATOM 591 OD2 ASP A 38 6.528 -12.369 0.038 1.00 0.00 O ATOM 0 H ASP A 38 9.094 -11.596 3.985 1.00 0.00 H new ATOM 0 HA ASP A 38 8.824 -13.408 1.747 1.00 0.00 H new ATOM 0 HB2 ASP A 38 7.063 -11.749 2.430 1.00 0.00 H new ATOM 0 HB3 ASP A 38 8.168 -10.455 2.011 1.00 0.00 H new ATOM 596 N TYR A 39 10.420 -12.443 0.127 1.00 0.00 N ATOM 597 CA TYR A 39 11.571 -12.269 -0.718 1.00 0.00 C ATOM 598 C TYR A 39 11.153 -11.930 -2.146 1.00 0.00 C ATOM 599 O TYR A 39 11.934 -12.112 -3.089 1.00 0.00 O ATOM 600 CB TYR A 39 12.376 -13.583 -0.698 1.00 0.00 C ATOM 601 CG TYR A 39 11.493 -14.824 -0.808 1.00 0.00 C ATOM 602 CD1 TYR A 39 10.951 -15.223 -2.023 1.00 0.00 C ATOM 603 CD2 TYR A 39 11.173 -15.563 0.325 1.00 0.00 C ATOM 604 CE1 TYR A 39 10.122 -16.324 -2.105 1.00 0.00 C ATOM 605 CE2 TYR A 39 10.343 -16.655 0.254 1.00 0.00 C ATOM 606 CZ TYR A 39 9.821 -17.034 -0.960 1.00 0.00 C ATOM 607 OH TYR A 39 8.970 -18.118 -1.022 1.00 0.00 O ATOM 0 H TYR A 39 9.683 -12.996 -0.309 1.00 0.00 H new ATOM 0 HA TYR A 39 12.178 -11.442 -0.349 1.00 0.00 H new ATOM 0 HB2 TYR A 39 13.090 -13.578 -1.521 1.00 0.00 H new ATOM 0 HB3 TYR A 39 12.954 -13.635 0.225 1.00 0.00 H new ATOM 0 HD1 TYR A 39 11.182 -14.663 -2.917 1.00 0.00 H new ATOM 0 HD2 TYR A 39 11.585 -15.273 1.280 1.00 0.00 H new ATOM 0 HE1 TYR A 39 9.712 -16.627 -3.057 1.00 0.00 H new ATOM 0 HE2 TYR A 39 10.102 -17.213 1.147 1.00 0.00 H new ATOM 0 HH TYR A 39 8.866 -18.504 -0.127 1.00 0.00 H new ATOM 617 N ASN A 40 9.935 -11.434 -2.318 1.00 0.00 N ATOM 618 CA ASN A 40 9.446 -11.130 -3.654 1.00 0.00 C ATOM 619 C ASN A 40 10.104 -9.890 -4.193 1.00 0.00 C ATOM 620 O ASN A 40 10.846 -9.949 -5.163 1.00 0.00 O ATOM 621 CB ASN A 40 7.916 -10.952 -3.728 1.00 0.00 C ATOM 622 CG ASN A 40 7.106 -12.194 -3.403 1.00 0.00 C ATOM 623 OD1 ASN A 40 7.554 -13.336 -3.588 1.00 0.00 O ATOM 624 ND2 ASN A 40 5.893 -11.989 -2.966 1.00 0.00 N ATOM 0 H ASN A 40 9.278 -11.237 -1.563 1.00 0.00 H new ATOM 0 HA ASN A 40 9.705 -11.997 -4.261 1.00 0.00 H new ATOM 0 HB2 ASN A 40 7.625 -10.157 -3.041 1.00 0.00 H new ATOM 0 HB3 ASN A 40 7.653 -10.618 -4.732 1.00 0.00 H new ATOM 0 HD21 ASN A 40 5.282 -12.781 -2.766 1.00 0.00 H new ATOM 0 HD22 ASN A 40 5.556 -11.037 -2.825 1.00 0.00 H new ATOM 631 N GLY A 41 9.832 -8.754 -3.575 1.00 0.00 N ATOM 632 CA GLY A 41 10.401 -7.494 -4.047 1.00 0.00 C ATOM 633 C GLY A 41 9.625 -6.912 -5.226 1.00 0.00 C ATOM 634 O GLY A 41 9.793 -5.747 -5.580 1.00 0.00 O ATOM 0 H GLY A 41 9.230 -8.673 -2.756 1.00 0.00 H new ATOM 0 HA2 GLY A 41 10.409 -6.773 -3.229 1.00 0.00 H new ATOM 0 HA3 GLY A 41 11.438 -7.654 -4.341 1.00 0.00 H new ATOM 638 N LYS A 42 8.805 -7.738 -5.845 1.00 0.00 N ATOM 639 CA LYS A 42 7.969 -7.314 -6.943 1.00 0.00 C ATOM 640 C LYS A 42 6.576 -7.023 -6.447 1.00 0.00 C ATOM 641 O LYS A 42 6.110 -5.899 -6.506 1.00 0.00 O ATOM 642 CB LYS A 42 7.921 -8.369 -8.057 1.00 0.00 C ATOM 643 CG LYS A 42 9.242 -8.573 -8.771 1.00 0.00 C ATOM 644 CD LYS A 42 9.114 -9.515 -9.964 1.00 0.00 C ATOM 645 CE LYS A 42 8.777 -10.940 -9.556 1.00 0.00 C ATOM 646 NZ LYS A 42 8.731 -11.843 -10.722 1.00 0.00 N ATOM 0 H LYS A 42 8.702 -8.722 -5.598 1.00 0.00 H new ATOM 0 HA LYS A 42 8.403 -6.406 -7.362 1.00 0.00 H new ATOM 0 HB2 LYS A 42 7.600 -9.319 -7.630 1.00 0.00 H new ATOM 0 HB3 LYS A 42 7.166 -8.077 -8.787 1.00 0.00 H new ATOM 0 HG2 LYS A 42 9.622 -7.609 -9.111 1.00 0.00 H new ATOM 0 HG3 LYS A 42 9.973 -8.975 -8.070 1.00 0.00 H new ATOM 0 HD2 LYS A 42 8.340 -9.141 -10.635 1.00 0.00 H new ATOM 0 HD3 LYS A 42 10.049 -9.514 -10.524 1.00 0.00 H new ATOM 0 HE2 LYS A 42 9.520 -11.301 -8.845 1.00 0.00 H new ATOM 0 HE3 LYS A 42 7.814 -10.955 -9.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 8.498 -12.806 -10.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 8.004 -11.512 -11.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 9.658 -11.848 -11.194 1.00 0.00 H new ATOM 660 N VAL A 43 5.929 -8.032 -5.928 1.00 0.00 N ATOM 661 CA VAL A 43 4.591 -7.887 -5.417 1.00 0.00 C ATOM 662 C VAL A 43 4.545 -8.299 -3.965 1.00 0.00 C ATOM 663 O VAL A 43 5.217 -9.251 -3.561 1.00 0.00 O ATOM 664 CB VAL A 43 3.535 -8.687 -6.244 1.00 0.00 C ATOM 665 CG1 VAL A 43 3.390 -8.106 -7.644 1.00 0.00 C ATOM 666 CG2 VAL A 43 3.896 -10.171 -6.327 1.00 0.00 C ATOM 0 H VAL A 43 6.312 -8.974 -5.847 1.00 0.00 H new ATOM 0 HA VAL A 43 4.326 -6.834 -5.509 1.00 0.00 H new ATOM 0 HB VAL A 43 2.581 -8.598 -5.725 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.649 -8.680 -8.201 1.00 0.00 H new ATOM 0 HG12 VAL A 43 3.068 -7.067 -7.575 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.349 -8.155 -8.159 1.00 0.00 H new ATOM 0 HG21 VAL A 43 3.140 -10.697 -6.909 1.00 0.00 H new ATOM 0 HG22 VAL A 43 4.868 -10.283 -6.808 1.00 0.00 H new ATOM 0 HG23 VAL A 43 3.938 -10.592 -5.322 1.00 0.00 H new ATOM 676 N LEU A 44 3.808 -7.571 -3.197 1.00 0.00 N ATOM 677 CA LEU A 44 3.668 -7.826 -1.797 1.00 0.00 C ATOM 678 C LEU A 44 2.207 -8.069 -1.482 1.00 0.00 C ATOM 679 O LEU A 44 1.344 -7.275 -1.869 1.00 0.00 O ATOM 680 CB LEU A 44 4.193 -6.623 -1.010 1.00 0.00 C ATOM 681 CG LEU A 44 4.129 -6.715 0.510 1.00 0.00 C ATOM 682 CD1 LEU A 44 5.000 -7.851 1.027 1.00 0.00 C ATOM 683 CD2 LEU A 44 4.542 -5.393 1.125 1.00 0.00 C ATOM 0 H LEU A 44 3.275 -6.767 -3.527 1.00 0.00 H new ATOM 0 HA LEU A 44 4.243 -8.708 -1.515 1.00 0.00 H new ATOM 0 HB2 LEU A 44 5.231 -6.456 -1.297 1.00 0.00 H new ATOM 0 HB3 LEU A 44 3.631 -5.742 -1.321 1.00 0.00 H new ATOM 0 HG LEU A 44 3.101 -6.931 0.802 1.00 0.00 H new ATOM 0 HD11 LEU A 44 4.935 -7.893 2.114 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.654 -8.795 0.606 1.00 0.00 H new ATOM 0 HD13 LEU A 44 6.035 -7.679 0.732 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.494 -5.466 2.211 1.00 0.00 H new ATOM 0 HD22 LEU A 44 5.561 -5.154 0.822 1.00 0.00 H new ATOM 0 HD23 LEU A 44 3.868 -4.607 0.784 1.00 0.00 H new ATOM 695 N SER A 45 1.933 -9.163 -0.833 1.00 0.00 N ATOM 696 CA SER A 45 0.594 -9.512 -0.449 1.00 0.00 C ATOM 697 C SER A 45 0.342 -9.056 0.987 1.00 0.00 C ATOM 698 O SER A 45 1.040 -9.481 1.923 1.00 0.00 O ATOM 699 CB SER A 45 0.399 -11.032 -0.585 1.00 0.00 C ATOM 700 OG SER A 45 -0.921 -11.442 -0.236 1.00 0.00 O ATOM 0 H SER A 45 2.638 -9.845 -0.552 1.00 0.00 H new ATOM 0 HA SER A 45 -0.122 -9.013 -1.102 1.00 0.00 H new ATOM 0 HB2 SER A 45 0.611 -11.333 -1.611 1.00 0.00 H new ATOM 0 HB3 SER A 45 1.117 -11.547 0.053 1.00 0.00 H new ATOM 0 HG SER A 45 -1.000 -12.413 -0.339 1.00 0.00 H new ATOM 706 N ILE A 46 -0.618 -8.182 1.154 1.00 0.00 N ATOM 707 CA ILE A 46 -0.988 -7.674 2.460 1.00 0.00 C ATOM 708 C ILE A 46 -2.471 -7.904 2.698 1.00 0.00 C ATOM 709 O ILE A 46 -3.209 -8.264 1.770 1.00 0.00 O ATOM 710 CB ILE A 46 -0.660 -6.156 2.623 1.00 0.00 C ATOM 711 CG1 ILE A 46 -1.421 -5.302 1.588 1.00 0.00 C ATOM 712 CG2 ILE A 46 0.836 -5.923 2.522 1.00 0.00 C ATOM 713 CD1 ILE A 46 -1.149 -3.810 1.680 1.00 0.00 C ATOM 0 H ILE A 46 -1.170 -7.798 0.387 1.00 0.00 H new ATOM 0 HA ILE A 46 -0.399 -8.217 3.199 1.00 0.00 H new ATOM 0 HB ILE A 46 -0.992 -5.844 3.613 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -1.157 -5.646 0.588 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -2.491 -5.472 1.712 1.00 0.00 H new ATOM 0 HG21 ILE A 46 1.047 -4.860 2.638 1.00 0.00 H new ATOM 0 HG22 ILE A 46 1.345 -6.482 3.307 1.00 0.00 H new ATOM 0 HG23 ILE A 46 1.192 -6.260 1.548 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -1.725 -3.287 0.916 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -1.440 -3.447 2.666 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -0.086 -3.624 1.524 1.00 0.00 H new ATOM 725 N ARG A 47 -2.902 -7.729 3.921 1.00 0.00 N ATOM 726 CA ARG A 47 -4.286 -7.887 4.267 1.00 0.00 C ATOM 727 C ARG A 47 -4.892 -6.547 4.643 1.00 0.00 C ATOM 728 O ARG A 47 -4.170 -5.533 4.715 1.00 0.00 O ATOM 729 CB ARG A 47 -4.416 -8.893 5.374 1.00 0.00 C ATOM 730 CG ARG A 47 -4.029 -10.270 4.898 1.00 0.00 C ATOM 731 CD ARG A 47 -3.941 -11.238 6.018 1.00 0.00 C ATOM 732 NE ARG A 47 -5.234 -11.556 6.647 1.00 0.00 N ATOM 733 CZ ARG A 47 -5.411 -11.771 7.957 1.00 0.00 C ATOM 734 NH1 ARG A 47 -4.463 -11.446 8.828 1.00 0.00 N ATOM 735 NH2 ARG A 47 -6.560 -12.267 8.394 1.00 0.00 N ATOM 0 H ARG A 47 -2.300 -7.473 4.704 1.00 0.00 H new ATOM 0 HA ARG A 47 -4.840 -8.261 3.406 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -3.782 -8.602 6.212 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -5.442 -8.906 5.741 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -4.761 -10.622 4.171 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -3.069 -10.220 4.385 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -3.492 -12.161 5.651 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -3.270 -10.837 6.777 1.00 0.00 H new ATOM 0 HE ARG A 47 -6.053 -11.617 6.042 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -3.591 -11.029 8.501 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -4.606 -11.613 9.824 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -7.306 -12.484 7.733 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -6.698 -12.432 9.391 1.00 0.00 H new ATOM 749 N GLN A 48 -6.189 -6.520 4.896 1.00 0.00 N ATOM 750 CA GLN A 48 -6.886 -5.282 5.223 1.00 0.00 C ATOM 751 C GLN A 48 -6.416 -4.706 6.560 1.00 0.00 C ATOM 752 O GLN A 48 -6.370 -3.487 6.731 1.00 0.00 O ATOM 753 CB GLN A 48 -8.418 -5.469 5.186 1.00 0.00 C ATOM 754 CG GLN A 48 -8.956 -6.502 6.166 1.00 0.00 C ATOM 755 CD GLN A 48 -10.412 -6.819 5.939 1.00 0.00 C ATOM 756 OE1 GLN A 48 -11.305 -6.197 6.523 1.00 0.00 O ATOM 757 NE2 GLN A 48 -10.669 -7.778 5.084 1.00 0.00 N ATOM 0 H GLN A 48 -6.787 -7.346 4.882 1.00 0.00 H new ATOM 0 HA GLN A 48 -6.632 -4.552 4.454 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -8.893 -4.510 5.393 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -8.711 -5.758 4.177 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -8.371 -7.418 6.079 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -8.823 -6.135 7.184 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -9.903 -8.268 4.622 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -11.635 -8.034 4.880 1.00 0.00 H new ATOM 766 N ASP A 49 -6.015 -5.578 7.481 1.00 0.00 N ATOM 767 CA ASP A 49 -5.512 -5.130 8.782 1.00 0.00 C ATOM 768 C ASP A 49 -4.165 -4.442 8.614 1.00 0.00 C ATOM 769 O ASP A 49 -3.806 -3.564 9.397 1.00 0.00 O ATOM 770 CB ASP A 49 -5.397 -6.274 9.811 1.00 0.00 C ATOM 771 CG ASP A 49 -4.261 -7.243 9.530 1.00 0.00 C ATOM 772 OD1 ASP A 49 -4.453 -8.195 8.755 1.00 0.00 O ATOM 773 OD2 ASP A 49 -3.149 -7.064 10.092 1.00 0.00 O ATOM 0 H ASP A 49 -6.027 -6.590 7.356 1.00 0.00 H new ATOM 0 HA ASP A 49 -6.243 -4.424 9.175 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -5.258 -5.844 10.803 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -6.336 -6.827 9.832 1.00 0.00 H new ATOM 778 N ASP A 50 -3.436 -4.816 7.578 1.00 0.00 N ATOM 779 CA ASP A 50 -2.172 -4.163 7.292 1.00 0.00 C ATOM 780 C ASP A 50 -2.459 -2.813 6.743 1.00 0.00 C ATOM 781 O ASP A 50 -2.077 -1.811 7.323 1.00 0.00 O ATOM 782 CB ASP A 50 -1.299 -4.919 6.275 1.00 0.00 C ATOM 783 CG ASP A 50 -0.802 -6.254 6.737 1.00 0.00 C ATOM 784 OD1 ASP A 50 0.238 -6.319 7.448 1.00 0.00 O ATOM 785 OD2 ASP A 50 -1.414 -7.283 6.371 1.00 0.00 O ATOM 0 H ASP A 50 -3.693 -5.559 6.928 1.00 0.00 H new ATOM 0 HA ASP A 50 -1.614 -4.127 8.228 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -1.873 -5.059 5.359 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -0.441 -4.296 6.022 1.00 0.00 H new ATOM 790 N LEU A 51 -3.219 -2.794 5.662 1.00 0.00 N ATOM 791 CA LEU A 51 -3.517 -1.581 4.920 1.00 0.00 C ATOM 792 C LEU A 51 -4.183 -0.509 5.804 1.00 0.00 C ATOM 793 O LEU A 51 -3.898 0.680 5.660 1.00 0.00 O ATOM 794 CB LEU A 51 -4.390 -1.906 3.704 1.00 0.00 C ATOM 795 CG LEU A 51 -4.538 -0.790 2.671 1.00 0.00 C ATOM 796 CD1 LEU A 51 -3.200 -0.491 2.003 1.00 0.00 C ATOM 797 CD2 LEU A 51 -5.577 -1.153 1.633 1.00 0.00 C ATOM 0 H LEU A 51 -3.652 -3.630 5.270 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.571 -1.164 4.575 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.974 -2.782 3.207 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -5.384 -2.181 4.058 1.00 0.00 H new ATOM 0 HG LEU A 51 -4.871 0.108 3.191 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -3.329 0.307 1.271 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.478 -0.178 2.758 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.835 -1.388 1.502 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -5.665 -0.344 0.908 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -5.276 -2.067 1.121 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -6.539 -1.310 2.121 1.00 0.00 H new ATOM 809 N ARG A 52 -5.028 -0.936 6.755 1.00 0.00 N ATOM 810 CA ARG A 52 -5.701 0.007 7.658 1.00 0.00 C ATOM 811 C ARG A 52 -4.680 0.719 8.562 1.00 0.00 C ATOM 812 O ARG A 52 -4.857 1.875 8.928 1.00 0.00 O ATOM 813 CB ARG A 52 -6.789 -0.686 8.508 1.00 0.00 C ATOM 814 CG ARG A 52 -6.274 -1.600 9.607 1.00 0.00 C ATOM 815 CD ARG A 52 -7.412 -2.252 10.372 1.00 0.00 C ATOM 816 NE ARG A 52 -6.918 -3.099 11.465 1.00 0.00 N ATOM 817 CZ ARG A 52 -7.675 -3.644 12.428 1.00 0.00 C ATOM 818 NH1 ARG A 52 -8.981 -3.391 12.489 1.00 0.00 N ATOM 819 NH2 ARG A 52 -7.117 -4.426 13.340 1.00 0.00 N ATOM 0 H ARG A 52 -5.259 -1.916 6.917 1.00 0.00 H new ATOM 0 HA ARG A 52 -6.197 0.753 7.037 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -7.416 0.082 8.961 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -7.428 -1.268 7.844 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -5.639 -2.371 9.171 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -5.653 -1.027 10.296 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -8.067 -1.481 10.777 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -8.012 -2.853 9.689 1.00 0.00 H new ATOM 0 HE ARG A 52 -5.916 -3.288 11.494 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -9.414 -2.777 11.799 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -9.548 -3.811 13.226 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -6.115 -4.612 13.308 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -7.690 -4.842 14.074 1.00 0.00 H new ATOM 833 N THR A 53 -3.593 0.030 8.854 1.00 0.00 N ATOM 834 CA THR A 53 -2.547 0.549 9.692 1.00 0.00 C ATOM 835 C THR A 53 -1.768 1.636 8.931 1.00 0.00 C ATOM 836 O THR A 53 -1.400 2.670 9.494 1.00 0.00 O ATOM 837 CB THR A 53 -1.610 -0.607 10.121 1.00 0.00 C ATOM 838 OG1 THR A 53 -2.396 -1.640 10.760 1.00 0.00 O ATOM 839 CG2 THR A 53 -0.532 -0.128 11.084 1.00 0.00 C ATOM 0 H THR A 53 -3.417 -0.914 8.509 1.00 0.00 H new ATOM 0 HA THR A 53 -2.976 0.998 10.588 1.00 0.00 H new ATOM 0 HB THR A 53 -1.117 -0.995 9.229 1.00 0.00 H new ATOM 0 HG1 THR A 53 -2.821 -2.198 10.076 1.00 0.00 H new ATOM 0 HG21 THR A 53 0.106 -0.967 11.363 1.00 0.00 H new ATOM 0 HG22 THR A 53 0.071 0.642 10.602 1.00 0.00 H new ATOM 0 HG23 THR A 53 -1.000 0.285 11.978 1.00 0.00 H new ATOM 847 N LEU A 54 -1.586 1.416 7.627 1.00 0.00 N ATOM 848 CA LEU A 54 -0.884 2.366 6.759 1.00 0.00 C ATOM 849 C LEU A 54 -1.612 3.697 6.695 1.00 0.00 C ATOM 850 O LEU A 54 -0.982 4.755 6.633 1.00 0.00 O ATOM 851 CB LEU A 54 -0.664 1.812 5.334 1.00 0.00 C ATOM 852 CG LEU A 54 0.474 0.788 5.131 1.00 0.00 C ATOM 853 CD1 LEU A 54 0.249 -0.478 5.907 1.00 0.00 C ATOM 854 CD2 LEU A 54 0.644 0.464 3.669 1.00 0.00 C ATOM 0 H LEU A 54 -1.918 0.581 7.145 1.00 0.00 H new ATOM 0 HA LEU A 54 0.097 2.523 7.207 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -1.595 1.349 5.007 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -0.478 2.657 4.671 1.00 0.00 H new ATOM 0 HG LEU A 54 1.384 1.253 5.510 1.00 0.00 H new ATOM 0 HD11 LEU A 54 1.077 -1.165 5.730 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.190 -0.247 6.971 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -0.683 -0.942 5.584 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.451 -0.259 3.548 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.283 0.042 3.280 1.00 0.00 H new ATOM 0 HD23 LEU A 54 0.887 1.374 3.121 1.00 0.00 H new ATOM 866 N ALA A 55 -2.934 3.634 6.760 1.00 0.00 N ATOM 867 CA ALA A 55 -3.784 4.816 6.732 1.00 0.00 C ATOM 868 C ALA A 55 -3.435 5.764 7.872 1.00 0.00 C ATOM 869 O ALA A 55 -3.295 6.973 7.670 1.00 0.00 O ATOM 870 CB ALA A 55 -5.246 4.409 6.811 1.00 0.00 C ATOM 0 H ALA A 55 -3.450 2.757 6.834 1.00 0.00 H new ATOM 0 HA ALA A 55 -3.613 5.340 5.792 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -5.873 5.300 6.789 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -5.492 3.771 5.962 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -5.422 3.864 7.738 1.00 0.00 H new ATOM 876 N VAL A 56 -3.222 5.201 9.046 1.00 0.00 N ATOM 877 CA VAL A 56 -2.908 5.976 10.237 1.00 0.00 C ATOM 878 C VAL A 56 -1.526 6.617 10.091 1.00 0.00 C ATOM 879 O VAL A 56 -1.316 7.784 10.462 1.00 0.00 O ATOM 880 CB VAL A 56 -2.943 5.083 11.514 1.00 0.00 C ATOM 881 CG1 VAL A 56 -2.678 5.902 12.774 1.00 0.00 C ATOM 882 CG2 VAL A 56 -4.277 4.347 11.624 1.00 0.00 C ATOM 0 H VAL A 56 -3.261 4.194 9.204 1.00 0.00 H new ATOM 0 HA VAL A 56 -3.663 6.755 10.344 1.00 0.00 H new ATOM 0 HB VAL A 56 -2.147 4.345 11.422 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -2.710 5.249 13.646 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -1.695 6.368 12.705 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -3.440 6.675 12.872 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -4.279 3.730 12.522 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -5.089 5.072 11.680 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -4.416 3.713 10.748 1.00 0.00 H new ATOM 892 N ILE A 57 -0.613 5.875 9.479 1.00 0.00 N ATOM 893 CA ILE A 57 0.765 6.320 9.294 1.00 0.00 C ATOM 894 C ILE A 57 0.821 7.526 8.357 1.00 0.00 C ATOM 895 O ILE A 57 1.535 8.494 8.616 1.00 0.00 O ATOM 896 CB ILE A 57 1.665 5.200 8.693 1.00 0.00 C ATOM 897 CG1 ILE A 57 1.525 3.907 9.494 1.00 0.00 C ATOM 898 CG2 ILE A 57 3.133 5.648 8.672 1.00 0.00 C ATOM 899 CD1 ILE A 57 2.319 2.745 8.935 1.00 0.00 C ATOM 0 H ILE A 57 -0.804 4.949 9.097 1.00 0.00 H new ATOM 0 HA ILE A 57 1.138 6.586 10.283 1.00 0.00 H new ATOM 0 HB ILE A 57 1.338 5.012 7.670 1.00 0.00 H new ATOM 0 HG12 ILE A 57 1.844 4.091 10.520 1.00 0.00 H new ATOM 0 HG13 ILE A 57 0.472 3.628 9.533 1.00 0.00 H new ATOM 0 HG21 ILE A 57 3.750 4.855 8.249 1.00 0.00 H new ATOM 0 HG22 ILE A 57 3.230 6.547 8.063 1.00 0.00 H new ATOM 0 HG23 ILE A 57 3.463 5.861 9.689 1.00 0.00 H new ATOM 0 HD11 ILE A 57 2.166 1.865 9.560 1.00 0.00 H new ATOM 0 HD12 ILE A 57 1.985 2.531 7.920 1.00 0.00 H new ATOM 0 HD13 ILE A 57 3.378 3.001 8.922 1.00 0.00 H new ATOM 911 N TYR A 58 0.051 7.483 7.280 1.00 0.00 N ATOM 912 CA TYR A 58 0.110 8.552 6.278 1.00 0.00 C ATOM 913 C TYR A 58 -0.896 9.650 6.599 1.00 0.00 C ATOM 914 O TYR A 58 -0.986 10.666 5.888 1.00 0.00 O ATOM 915 CB TYR A 58 -0.081 7.994 4.854 1.00 0.00 C ATOM 916 CG TYR A 58 0.764 6.755 4.579 1.00 0.00 C ATOM 917 CD1 TYR A 58 2.038 6.609 5.124 1.00 0.00 C ATOM 918 CD2 TYR A 58 0.260 5.708 3.834 1.00 0.00 C ATOM 919 CE1 TYR A 58 2.769 5.465 4.925 1.00 0.00 C ATOM 920 CE2 TYR A 58 0.987 4.554 3.640 1.00 0.00 C ATOM 921 CZ TYR A 58 2.241 4.442 4.190 1.00 0.00 C ATOM 922 OH TYR A 58 2.963 3.294 4.022 1.00 0.00 O ATOM 0 H TYR A 58 -0.613 6.736 7.074 1.00 0.00 H new ATOM 0 HA TYR A 58 1.104 8.998 6.314 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -1.133 7.750 4.704 1.00 0.00 H new ATOM 0 HB3 TYR A 58 0.173 8.768 4.130 1.00 0.00 H new ATOM 0 HD1 TYR A 58 2.458 7.411 5.714 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -0.723 5.795 3.395 1.00 0.00 H new ATOM 0 HE1 TYR A 58 3.758 5.374 5.348 1.00 0.00 H new ATOM 0 HE2 TYR A 58 0.574 3.743 3.059 1.00 0.00 H new ATOM 0 HH TYR A 58 2.880 2.735 4.823 1.00 0.00 H new ATOM 932 N ASP A 59 -1.641 9.424 7.682 1.00 0.00 N ATOM 933 CA ASP A 59 -2.599 10.381 8.256 1.00 0.00 C ATOM 934 C ASP A 59 -3.797 10.572 7.331 1.00 0.00 C ATOM 935 O ASP A 59 -4.215 11.692 7.026 1.00 0.00 O ATOM 936 CB ASP A 59 -1.899 11.720 8.582 1.00 0.00 C ATOM 937 CG ASP A 59 -2.719 12.633 9.452 1.00 0.00 C ATOM 938 OD1 ASP A 59 -2.953 12.277 10.630 1.00 0.00 O ATOM 939 OD2 ASP A 59 -3.092 13.742 8.998 1.00 0.00 O ATOM 0 H ASP A 59 -1.596 8.547 8.201 1.00 0.00 H new ATOM 0 HA ASP A 59 -2.979 9.975 9.193 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -0.951 11.513 9.079 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -1.665 12.234 7.650 1.00 0.00 H new ATOM 944 N GLN A 60 -4.348 9.472 6.891 1.00 0.00 N ATOM 945 CA GLN A 60 -5.493 9.473 6.003 1.00 0.00 C ATOM 946 C GLN A 60 -6.503 8.471 6.506 1.00 0.00 C ATOM 947 O GLN A 60 -6.150 7.557 7.257 1.00 0.00 O ATOM 948 CB GLN A 60 -5.074 9.085 4.576 1.00 0.00 C ATOM 949 CG GLN A 60 -4.085 10.035 3.922 1.00 0.00 C ATOM 950 CD GLN A 60 -3.645 9.575 2.547 1.00 0.00 C ATOM 951 OE1 GLN A 60 -3.598 8.386 2.261 1.00 0.00 O ATOM 952 NE2 GLN A 60 -3.325 10.515 1.692 1.00 0.00 N ATOM 0 H GLN A 60 -4.016 8.540 7.138 1.00 0.00 H new ATOM 0 HA GLN A 60 -5.923 10.475 5.984 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -4.636 8.087 4.600 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -5.967 9.027 3.953 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -4.538 11.023 3.841 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -3.209 10.137 4.563 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -3.377 11.495 1.969 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -3.024 10.266 0.750 1.00 0.00 H new ATOM 961 N SER A 61 -7.742 8.649 6.146 1.00 0.00 N ATOM 962 CA SER A 61 -8.741 7.678 6.469 1.00 0.00 C ATOM 963 C SER A 61 -8.582 6.495 5.511 1.00 0.00 C ATOM 964 O SER A 61 -8.220 6.707 4.347 1.00 0.00 O ATOM 965 CB SER A 61 -10.119 8.299 6.325 1.00 0.00 C ATOM 966 OG SER A 61 -10.230 9.465 7.126 1.00 0.00 O ATOM 0 H SER A 61 -8.082 9.459 5.628 1.00 0.00 H new ATOM 0 HA SER A 61 -8.627 7.336 7.498 1.00 0.00 H new ATOM 0 HB2 SER A 61 -10.303 8.551 5.280 1.00 0.00 H new ATOM 0 HB3 SER A 61 -10.881 7.577 6.618 1.00 0.00 H new ATOM 0 HG SER A 61 -11.124 9.852 7.019 1.00 0.00 H new ATOM 972 N PRO A 62 -8.801 5.245 5.991 1.00 0.00 N ATOM 973 CA PRO A 62 -8.678 4.012 5.183 1.00 0.00 C ATOM 974 C PRO A 62 -9.275 4.115 3.776 1.00 0.00 C ATOM 975 O PRO A 62 -8.673 3.640 2.819 1.00 0.00 O ATOM 976 CB PRO A 62 -9.433 2.985 6.014 1.00 0.00 C ATOM 977 CG PRO A 62 -9.162 3.405 7.411 1.00 0.00 C ATOM 978 CD PRO A 62 -9.141 4.916 7.395 1.00 0.00 C ATOM 0 HA PRO A 62 -7.632 3.768 4.995 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -10.500 2.994 5.792 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -9.076 1.973 5.823 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -9.932 3.033 8.087 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -8.210 3.005 7.761 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -10.106 5.333 7.682 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -8.402 5.314 8.090 1.00 0.00 H new ATOM 986 N SER A 63 -10.429 4.755 3.657 1.00 0.00 N ATOM 987 CA SER A 63 -11.090 4.952 2.376 1.00 0.00 C ATOM 988 C SER A 63 -10.200 5.763 1.404 1.00 0.00 C ATOM 989 O SER A 63 -9.907 5.322 0.283 1.00 0.00 O ATOM 990 CB SER A 63 -12.423 5.655 2.621 1.00 0.00 C ATOM 991 OG SER A 63 -12.237 6.829 3.423 1.00 0.00 O ATOM 0 H SER A 63 -10.934 5.153 4.448 1.00 0.00 H new ATOM 0 HA SER A 63 -11.268 3.985 1.906 1.00 0.00 H new ATOM 0 HB2 SER A 63 -12.877 5.928 1.668 1.00 0.00 H new ATOM 0 HB3 SER A 63 -13.113 4.974 3.119 1.00 0.00 H new ATOM 0 HG SER A 63 -13.102 7.267 3.568 1.00 0.00 H new ATOM 997 N VAL A 64 -9.745 6.919 1.877 1.00 0.00 N ATOM 998 CA VAL A 64 -8.873 7.819 1.122 1.00 0.00 C ATOM 999 C VAL A 64 -7.578 7.105 0.790 1.00 0.00 C ATOM 1000 O VAL A 64 -7.101 7.152 -0.342 1.00 0.00 O ATOM 1001 CB VAL A 64 -8.544 9.086 1.953 1.00 0.00 C ATOM 1002 CG1 VAL A 64 -7.696 10.075 1.158 1.00 0.00 C ATOM 1003 CG2 VAL A 64 -9.816 9.741 2.451 1.00 0.00 C ATOM 0 H VAL A 64 -9.974 7.264 2.809 1.00 0.00 H new ATOM 0 HA VAL A 64 -9.389 8.114 0.208 1.00 0.00 H new ATOM 0 HB VAL A 64 -7.956 8.774 2.816 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -7.485 10.950 1.773 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -6.758 9.600 0.869 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -8.238 10.382 0.263 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -9.565 10.628 3.032 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -10.435 10.027 1.601 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -10.365 9.039 3.079 1.00 0.00 H new ATOM 1013 N LEU A 65 -7.052 6.416 1.785 1.00 0.00 N ATOM 1014 CA LEU A 65 -5.830 5.643 1.674 1.00 0.00 C ATOM 1015 C LEU A 65 -5.966 4.617 0.538 1.00 0.00 C ATOM 1016 O LEU A 65 -5.078 4.497 -0.310 1.00 0.00 O ATOM 1017 CB LEU A 65 -5.549 4.975 3.053 1.00 0.00 C ATOM 1018 CG LEU A 65 -4.237 4.178 3.261 1.00 0.00 C ATOM 1019 CD1 LEU A 65 -4.250 2.839 2.558 1.00 0.00 C ATOM 1020 CD2 LEU A 65 -3.035 4.994 2.838 1.00 0.00 C ATOM 0 H LEU A 65 -7.472 6.378 2.714 1.00 0.00 H new ATOM 0 HA LEU A 65 -4.982 6.280 1.423 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -5.577 5.760 3.808 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -6.378 4.300 3.264 1.00 0.00 H new ATOM 0 HG LEU A 65 -4.163 3.973 4.329 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -3.306 2.324 2.738 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -5.072 2.235 2.942 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -4.381 2.992 1.487 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.127 4.412 2.994 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -3.124 5.252 1.783 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -2.987 5.907 3.432 1.00 0.00 H new ATOM 1032 N THR A 66 -7.104 3.926 0.504 1.00 0.00 N ATOM 1033 CA THR A 66 -7.372 2.938 -0.523 1.00 0.00 C ATOM 1034 C THR A 66 -7.318 3.600 -1.909 1.00 0.00 C ATOM 1035 O THR A 66 -6.648 3.102 -2.822 1.00 0.00 O ATOM 1036 CB THR A 66 -8.765 2.269 -0.318 1.00 0.00 C ATOM 1037 OG1 THR A 66 -8.871 1.722 1.017 1.00 0.00 O ATOM 1038 CG2 THR A 66 -8.982 1.144 -1.320 1.00 0.00 C ATOM 0 H THR A 66 -7.856 4.038 1.184 1.00 0.00 H new ATOM 0 HA THR A 66 -6.608 2.164 -0.453 1.00 0.00 H new ATOM 0 HB THR A 66 -9.523 3.038 -0.467 1.00 0.00 H new ATOM 0 HG1 THR A 66 -8.906 2.453 1.668 1.00 0.00 H new ATOM 0 HG21 THR A 66 -9.961 0.694 -1.155 1.00 0.00 H new ATOM 0 HG22 THR A 66 -8.932 1.544 -2.333 1.00 0.00 H new ATOM 0 HG23 THR A 66 -8.208 0.387 -1.190 1.00 0.00 H new ATOM 1046 N GLU A 67 -7.967 4.757 -2.037 1.00 0.00 N ATOM 1047 CA GLU A 67 -8.001 5.459 -3.301 1.00 0.00 C ATOM 1048 C GLU A 67 -6.622 5.932 -3.718 1.00 0.00 C ATOM 1049 O GLU A 67 -6.282 5.846 -4.885 1.00 0.00 O ATOM 1050 CB GLU A 67 -8.988 6.619 -3.307 1.00 0.00 C ATOM 1051 CG GLU A 67 -10.417 6.209 -3.047 1.00 0.00 C ATOM 1052 CD GLU A 67 -11.385 7.306 -3.366 1.00 0.00 C ATOM 1053 OE1 GLU A 67 -11.462 8.298 -2.618 1.00 0.00 O ATOM 1054 OE2 GLU A 67 -12.091 7.205 -4.397 1.00 0.00 O ATOM 0 H GLU A 67 -8.471 5.219 -1.280 1.00 0.00 H new ATOM 0 HA GLU A 67 -8.352 4.734 -4.035 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -8.685 7.344 -2.552 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -8.935 7.123 -4.272 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -10.656 5.330 -3.645 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -10.527 5.922 -2.001 1.00 0.00 H new ATOM 1061 N GLN A 68 -5.827 6.404 -2.765 1.00 0.00 N ATOM 1062 CA GLN A 68 -4.464 6.849 -3.030 1.00 0.00 C ATOM 1063 C GLN A 68 -3.645 5.736 -3.662 1.00 0.00 C ATOM 1064 O GLN A 68 -3.092 5.899 -4.752 1.00 0.00 O ATOM 1065 CB GLN A 68 -3.802 7.336 -1.740 1.00 0.00 C ATOM 1066 CG GLN A 68 -4.353 8.658 -1.225 1.00 0.00 C ATOM 1067 CD GLN A 68 -4.098 9.818 -2.178 1.00 0.00 C ATOM 1068 OE1 GLN A 68 -2.978 9.791 -2.865 1.00 0.00 O flip ATOM 1069 NE2 GLN A 68 -4.891 10.759 -2.264 1.00 0.00 N flip ATOM 0 H GLN A 68 -6.108 6.489 -1.788 1.00 0.00 H new ATOM 0 HA GLN A 68 -4.507 7.680 -3.734 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -3.928 6.576 -0.969 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -2.731 7.442 -1.911 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -5.426 8.559 -1.060 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -3.901 8.882 -0.259 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -5.753 10.751 -1.718 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -4.685 11.545 -2.881 1.00 0.00 H new ATOM 1078 N LEU A 69 -3.637 4.599 -3.007 1.00 0.00 N ATOM 1079 CA LEU A 69 -2.916 3.419 -3.466 1.00 0.00 C ATOM 1080 C LEU A 69 -3.376 2.978 -4.869 1.00 0.00 C ATOM 1081 O LEU A 69 -2.548 2.642 -5.738 1.00 0.00 O ATOM 1082 CB LEU A 69 -3.071 2.275 -2.447 1.00 0.00 C ATOM 1083 CG LEU A 69 -2.106 2.232 -1.228 1.00 0.00 C ATOM 1084 CD1 LEU A 69 -0.710 1.884 -1.671 1.00 0.00 C ATOM 1085 CD2 LEU A 69 -2.083 3.544 -0.459 1.00 0.00 C ATOM 0 H LEU A 69 -4.135 4.458 -2.128 1.00 0.00 H new ATOM 0 HA LEU A 69 -1.860 3.678 -3.544 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -4.090 2.310 -2.062 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.966 1.334 -2.987 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.483 1.460 -0.557 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.049 1.859 -0.805 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.714 0.906 -2.153 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.354 2.635 -2.377 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.394 3.461 0.382 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.755 4.347 -1.119 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -3.084 3.766 -0.088 1.00 0.00 H new ATOM 1097 N ILE A 70 -4.677 3.015 -5.097 1.00 0.00 N ATOM 1098 CA ILE A 70 -5.247 2.647 -6.390 1.00 0.00 C ATOM 1099 C ILE A 70 -4.925 3.713 -7.457 1.00 0.00 C ATOM 1100 O ILE A 70 -4.669 3.385 -8.620 1.00 0.00 O ATOM 1101 CB ILE A 70 -6.784 2.413 -6.284 1.00 0.00 C ATOM 1102 CG1 ILE A 70 -7.065 1.232 -5.344 1.00 0.00 C ATOM 1103 CG2 ILE A 70 -7.409 2.160 -7.661 1.00 0.00 C ATOM 1104 CD1 ILE A 70 -8.536 1.007 -5.052 1.00 0.00 C ATOM 0 H ILE A 70 -5.367 3.298 -4.401 1.00 0.00 H new ATOM 0 HA ILE A 70 -4.789 1.708 -6.700 1.00 0.00 H new ATOM 0 HB ILE A 70 -7.239 3.316 -5.877 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -6.651 0.325 -5.784 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -6.540 1.398 -4.403 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -8.482 2.001 -7.550 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -7.235 3.023 -8.304 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -6.956 1.276 -8.110 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -8.648 0.155 -4.381 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -8.954 1.897 -4.581 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -9.065 0.807 -5.984 1.00 0.00 H new ATOM 1116 N SER A 71 -4.891 4.973 -7.053 1.00 0.00 N ATOM 1117 CA SER A 71 -4.581 6.065 -7.963 1.00 0.00 C ATOM 1118 C SER A 71 -3.146 5.968 -8.460 1.00 0.00 C ATOM 1119 O SER A 71 -2.854 6.310 -9.611 1.00 0.00 O ATOM 1120 CB SER A 71 -4.826 7.422 -7.296 1.00 0.00 C ATOM 1121 OG SER A 71 -6.189 7.564 -6.916 1.00 0.00 O ATOM 0 H SER A 71 -5.076 5.266 -6.094 1.00 0.00 H new ATOM 0 HA SER A 71 -5.247 5.981 -8.822 1.00 0.00 H new ATOM 0 HB2 SER A 71 -4.188 7.520 -6.418 1.00 0.00 H new ATOM 0 HB3 SER A 71 -4.550 8.223 -7.982 1.00 0.00 H new ATOM 0 HG SER A 71 -6.327 7.156 -6.036 1.00 0.00 H new ATOM 1127 N TRP A 72 -2.260 5.475 -7.609 1.00 0.00 N ATOM 1128 CA TRP A 72 -0.862 5.307 -7.986 1.00 0.00 C ATOM 1129 C TRP A 72 -0.684 4.061 -8.839 1.00 0.00 C ATOM 1130 O TRP A 72 0.359 3.858 -9.452 1.00 0.00 O ATOM 1131 CB TRP A 72 0.040 5.225 -6.756 1.00 0.00 C ATOM 1132 CG TRP A 72 -0.057 6.406 -5.846 1.00 0.00 C ATOM 1133 CD1 TRP A 72 -0.305 7.698 -6.197 1.00 0.00 C ATOM 1134 CD2 TRP A 72 0.125 6.404 -4.431 1.00 0.00 C ATOM 1135 NE1 TRP A 72 -0.315 8.493 -5.084 1.00 0.00 N ATOM 1136 CE2 TRP A 72 -0.043 7.724 -3.987 1.00 0.00 C ATOM 1137 CE3 TRP A 72 0.404 5.411 -3.499 1.00 0.00 C ATOM 1138 CZ2 TRP A 72 0.063 8.078 -2.645 1.00 0.00 C ATOM 1139 CZ3 TRP A 72 0.511 5.763 -2.170 1.00 0.00 C ATOM 1140 CH2 TRP A 72 0.342 7.084 -1.753 1.00 0.00 C ATOM 0 H TRP A 72 -2.481 5.185 -6.656 1.00 0.00 H new ATOM 0 HA TRP A 72 -0.572 6.182 -8.567 1.00 0.00 H new ATOM 0 HB2 TRP A 72 -0.212 4.326 -6.194 1.00 0.00 H new ATOM 0 HB3 TRP A 72 1.074 5.117 -7.084 1.00 0.00 H new ATOM 0 HD1 TRP A 72 -0.470 8.044 -7.207 1.00 0.00 H new ATOM 0 HE1 TRP A 72 -0.496 9.497 -5.074 1.00 0.00 H new ATOM 0 HE3 TRP A 72 0.534 4.385 -3.809 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 -0.070 9.100 -2.322 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 0.730 5.001 -1.437 1.00 0.00 H new ATOM 0 HH2 TRP A 72 0.434 7.324 -0.704 1.00 0.00 H new ATOM 1151 N GLY A 73 -1.710 3.224 -8.862 1.00 0.00 N ATOM 1152 CA GLY A 73 -1.690 2.009 -9.659 1.00 0.00 C ATOM 1153 C GLY A 73 -0.790 0.960 -9.064 1.00 0.00 C ATOM 1154 O GLY A 73 -0.370 0.023 -9.739 1.00 0.00 O ATOM 0 H GLY A 73 -2.571 3.366 -8.334 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -2.702 1.613 -9.743 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -1.355 2.244 -10.669 1.00 0.00 H new ATOM 1158 N VAL A 74 -0.497 1.116 -7.801 1.00 0.00 N ATOM 1159 CA VAL A 74 0.386 0.207 -7.105 1.00 0.00 C ATOM 1160 C VAL A 74 -0.415 -0.845 -6.373 1.00 0.00 C ATOM 1161 O VAL A 74 0.063 -1.941 -6.134 1.00 0.00 O ATOM 1162 CB VAL A 74 1.329 0.964 -6.128 1.00 0.00 C ATOM 1163 CG1 VAL A 74 2.161 1.973 -6.885 1.00 0.00 C ATOM 1164 CG2 VAL A 74 0.558 1.667 -5.025 1.00 0.00 C ATOM 0 H VAL A 74 -0.861 1.874 -7.223 1.00 0.00 H new ATOM 0 HA VAL A 74 1.014 -0.286 -7.847 1.00 0.00 H new ATOM 0 HB VAL A 74 1.979 0.222 -5.664 1.00 0.00 H new ATOM 0 HG11 VAL A 74 2.818 2.497 -6.191 1.00 0.00 H new ATOM 0 HG12 VAL A 74 2.762 1.459 -7.635 1.00 0.00 H new ATOM 0 HG13 VAL A 74 1.504 2.691 -7.376 1.00 0.00 H new ATOM 0 HG21 VAL A 74 1.256 2.183 -4.365 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -0.128 2.391 -5.465 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -0.008 0.933 -4.452 1.00 0.00 H new ATOM 1174 N LEU A 75 -1.630 -0.518 -6.039 1.00 0.00 N ATOM 1175 CA LEU A 75 -2.490 -1.446 -5.391 1.00 0.00 C ATOM 1176 C LEU A 75 -3.575 -1.783 -6.359 1.00 0.00 C ATOM 1177 O LEU A 75 -4.094 -0.889 -7.039 1.00 0.00 O ATOM 1178 CB LEU A 75 -3.082 -0.841 -4.123 1.00 0.00 C ATOM 1179 CG LEU A 75 -3.952 -1.766 -3.263 1.00 0.00 C ATOM 1180 CD1 LEU A 75 -3.135 -2.920 -2.697 1.00 0.00 C ATOM 1181 CD2 LEU A 75 -4.624 -0.983 -2.145 1.00 0.00 C ATOM 0 H LEU A 75 -2.045 0.398 -6.210 1.00 0.00 H new ATOM 0 HA LEU A 75 -1.938 -2.338 -5.096 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -2.262 -0.473 -3.506 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -3.681 0.025 -4.406 1.00 0.00 H new ATOM 0 HG LEU A 75 -4.728 -2.188 -3.902 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -3.778 -3.559 -2.092 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -2.712 -3.502 -3.516 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -2.329 -2.526 -2.078 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -5.237 -1.657 -1.546 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -3.863 -0.526 -1.513 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -5.255 -0.204 -2.574 1.00 0.00 H new ATOM 1193 N ASP A 76 -3.884 -3.051 -6.461 1.00 0.00 N ATOM 1194 CA ASP A 76 -4.926 -3.507 -7.362 1.00 0.00 C ATOM 1195 C ASP A 76 -6.263 -2.927 -6.933 1.00 0.00 C ATOM 1196 O ASP A 76 -6.622 -3.012 -5.755 1.00 0.00 O ATOM 1197 CB ASP A 76 -4.984 -5.041 -7.403 1.00 0.00 C ATOM 1198 CG ASP A 76 -5.984 -5.567 -8.413 1.00 0.00 C ATOM 1199 OD1 ASP A 76 -6.138 -4.947 -9.486 1.00 0.00 O ATOM 1200 OD2 ASP A 76 -6.573 -6.646 -8.190 1.00 0.00 O ATOM 0 H ASP A 76 -3.429 -3.794 -5.930 1.00 0.00 H new ATOM 0 HA ASP A 76 -4.697 -3.159 -8.369 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -3.995 -5.431 -7.642 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -5.244 -5.416 -6.413 1.00 0.00 H new ATOM 1205 N ALA A 77 -6.978 -2.333 -7.888 1.00 0.00 N ATOM 1206 CA ALA A 77 -8.263 -1.654 -7.660 1.00 0.00 C ATOM 1207 C ALA A 77 -9.238 -2.504 -6.856 1.00 0.00 C ATOM 1208 O ALA A 77 -9.948 -1.999 -6.006 1.00 0.00 O ATOM 1209 CB ALA A 77 -8.886 -1.249 -8.989 1.00 0.00 C ATOM 0 H ALA A 77 -6.678 -2.307 -8.863 1.00 0.00 H new ATOM 0 HA ALA A 77 -8.055 -0.762 -7.069 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -9.837 -0.747 -8.807 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -8.213 -0.572 -9.515 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -9.055 -2.137 -9.597 1.00 0.00 H new ATOM 1215 N ASP A 78 -9.205 -3.798 -7.098 1.00 0.00 N ATOM 1216 CA ASP A 78 -10.068 -4.792 -6.435 1.00 0.00 C ATOM 1217 C ASP A 78 -9.995 -4.720 -4.895 1.00 0.00 C ATOM 1218 O ASP A 78 -10.947 -5.094 -4.202 1.00 0.00 O ATOM 1219 CB ASP A 78 -9.683 -6.193 -6.900 1.00 0.00 C ATOM 1220 CG ASP A 78 -10.597 -7.262 -6.361 1.00 0.00 C ATOM 1221 OD1 ASP A 78 -11.711 -7.392 -6.869 1.00 0.00 O ATOM 1222 OD2 ASP A 78 -10.202 -8.032 -5.458 1.00 0.00 O ATOM 0 H ASP A 78 -8.566 -4.213 -7.776 1.00 0.00 H new ATOM 0 HA ASP A 78 -11.096 -4.563 -6.717 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -9.697 -6.225 -7.989 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -8.660 -6.405 -6.588 1.00 0.00 H new ATOM 1227 N ALA A 79 -8.889 -4.192 -4.365 1.00 0.00 N ATOM 1228 CA ALA A 79 -8.672 -4.065 -2.914 1.00 0.00 C ATOM 1229 C ALA A 79 -9.783 -3.259 -2.233 1.00 0.00 C ATOM 1230 O ALA A 79 -10.078 -3.458 -1.044 1.00 0.00 O ATOM 1231 CB ALA A 79 -7.327 -3.421 -2.637 1.00 0.00 C ATOM 0 H ALA A 79 -8.115 -3.839 -4.927 1.00 0.00 H new ATOM 0 HA ALA A 79 -8.689 -5.072 -2.497 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -7.180 -3.334 -1.560 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -6.534 -4.037 -3.062 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -7.298 -2.429 -3.089 1.00 0.00 H new ATOM 1237 N ARG A 80 -10.427 -2.389 -3.007 1.00 0.00 N ATOM 1238 CA ARG A 80 -11.511 -1.537 -2.514 1.00 0.00 C ATOM 1239 C ARG A 80 -12.697 -2.387 -2.024 1.00 0.00 C ATOM 1240 O ARG A 80 -13.468 -1.949 -1.194 1.00 0.00 O ATOM 1241 CB ARG A 80 -11.945 -0.549 -3.612 1.00 0.00 C ATOM 1242 CG ARG A 80 -12.611 -1.207 -4.808 1.00 0.00 C ATOM 1243 CD ARG A 80 -12.590 -0.321 -6.047 1.00 0.00 C ATOM 1244 NE ARG A 80 -13.262 0.967 -5.862 1.00 0.00 N ATOM 1245 CZ ARG A 80 -14.268 1.427 -6.622 1.00 0.00 C ATOM 1246 NH1 ARG A 80 -14.904 0.608 -7.477 1.00 0.00 N ATOM 1247 NH2 ARG A 80 -14.667 2.694 -6.492 1.00 0.00 N ATOM 0 H ARG A 80 -10.213 -2.253 -3.995 1.00 0.00 H new ATOM 0 HA ARG A 80 -11.147 -0.963 -1.662 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -12.633 0.178 -3.181 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -11.071 0.004 -3.955 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -12.106 -2.148 -5.029 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -13.643 -1.451 -4.557 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -11.555 -0.142 -6.337 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -13.065 -0.853 -6.871 1.00 0.00 H new ATOM 0 HE ARG A 80 -12.941 1.560 -5.097 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -14.623 -0.370 -7.551 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -15.668 0.964 -8.052 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -14.208 3.307 -5.818 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -15.431 3.050 -7.067 1.00 0.00 H new ATOM 1261 N ARG A 81 -12.801 -3.611 -2.530 1.00 0.00 N ATOM 1262 CA ARG A 81 -13.845 -4.545 -2.119 1.00 0.00 C ATOM 1263 C ARG A 81 -13.587 -5.080 -0.711 1.00 0.00 C ATOM 1264 O ARG A 81 -14.507 -5.183 0.113 1.00 0.00 O ATOM 1265 CB ARG A 81 -13.932 -5.710 -3.118 1.00 0.00 C ATOM 1266 CG ARG A 81 -14.755 -6.896 -2.631 1.00 0.00 C ATOM 1267 CD ARG A 81 -14.897 -7.976 -3.686 1.00 0.00 C ATOM 1268 NE ARG A 81 -13.612 -8.450 -4.222 1.00 0.00 N ATOM 1269 CZ ARG A 81 -13.466 -9.577 -4.937 1.00 0.00 C ATOM 1270 NH1 ARG A 81 -14.426 -10.485 -4.965 1.00 0.00 N ATOM 1271 NH2 ARG A 81 -12.337 -9.812 -5.577 1.00 0.00 N ATOM 0 H ARG A 81 -12.166 -3.984 -3.235 1.00 0.00 H new ATOM 0 HA ARG A 81 -14.794 -4.008 -2.107 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -14.362 -5.343 -4.050 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -12.923 -6.053 -3.347 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -14.286 -7.319 -1.743 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -15.745 -6.550 -2.334 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -15.436 -8.821 -3.258 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -15.504 -7.593 -4.506 1.00 0.00 H new ATOM 0 HE ARG A 81 -12.781 -7.888 -4.039 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -15.287 -10.333 -4.440 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -14.305 -11.338 -5.511 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -11.574 -9.137 -5.529 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -12.227 -10.669 -6.120 1.00 0.00 H new