USER MOD reduce.3.24.130724 H: found=0, std=0, add=396, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 396 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 59 LYS NZ :NH3+ -167:sc= 2.34 (180deg=1.16) USER MOD Set 1.2: A 60 GLN : amide:sc= 0.476 K(o=2.8,f=-6.7!) USER MOD Set 2.1: A 37 CYS SG : rot -40:sc= -1.82! USER MOD Set 2.2: A 40 CYS SG : rot -155:sc= -2.25! USER MOD Set 3.1: A 35 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 36 HIS : no HE2:sc= -5.41! C(o=-5.4!,f=-8.3!) USER MOD Set 3.3: A 38 GLN : amide:sc= 0 K(o=-5.4,f=-8.3) USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.256 USER MOD Single : A 13 ASN : amide:sc= 1.07 K(o=1.1,f=-0.2) USER MOD Single : A 15 GLN : amide:sc= -0.537 X(o=-0.54,f=-0.57) USER MOD Single : A 16 LYS NZ :NH3+ 164:sc= 0.0224 (180deg=-0.355) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -0.617 K(o=-0.62,f=-6!) USER MOD Single : A 44 SER OG : rot -168:sc= 0.973 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 168:sc= 0.675 (180deg=0.574) USER MOD Single : A 58 ASN : amide:sc= -4.03! C(o=-4!,f=-3.1!) USER MOD Single : A 63 LYS NZ :NH3+ 164:sc= 1.25 (180deg=1.22) USER MOD ----------------------------------------------------------------- ATOM 97 N ILE A 6 48.975 -20.327 12.498 1.00 0.00 N ATOM 98 CA ILE A 6 50.016 -19.666 13.351 1.00 0.00 C ATOM 99 C ILE A 6 49.401 -18.455 14.108 1.00 0.00 C ATOM 100 O ILE A 6 49.042 -17.454 13.508 1.00 0.00 O ATOM 101 CB ILE A 6 51.227 -19.193 12.523 1.00 0.00 C ATOM 102 CG1 ILE A 6 51.738 -20.310 11.587 1.00 0.00 C ATOM 103 CG2 ILE A 6 52.352 -18.793 13.488 1.00 0.00 C ATOM 104 CD1 ILE A 6 51.983 -21.618 12.360 1.00 0.00 C ATOM 0 HA ILE A 6 50.367 -20.410 14.066 1.00 0.00 H new ATOM 0 HB ILE A 6 50.921 -18.347 11.908 1.00 0.00 H new ATOM 0 HG12 ILE A 6 51.011 -20.484 10.794 1.00 0.00 H new ATOM 0 HG13 ILE A 6 52.663 -19.990 11.107 1.00 0.00 H new ATOM 0 HG21 ILE A 6 53.218 -18.455 12.918 1.00 0.00 H new ATOM 0 HG22 ILE A 6 52.007 -17.987 14.135 1.00 0.00 H new ATOM 0 HG23 ILE A 6 52.632 -19.653 14.097 1.00 0.00 H new ATOM 0 HD11 ILE A 6 52.342 -22.385 11.673 1.00 0.00 H new ATOM 0 HD12 ILE A 6 52.729 -21.448 13.136 1.00 0.00 H new ATOM 0 HD13 ILE A 6 51.051 -21.949 12.819 1.00 0.00 H new ATOM 116 N PRO A 7 49.313 -18.595 15.413 1.00 0.00 N ATOM 117 CA PRO A 7 48.761 -17.579 16.304 1.00 0.00 C ATOM 118 C PRO A 7 49.759 -16.433 16.532 1.00 0.00 C ATOM 119 O PRO A 7 50.922 -16.660 16.836 1.00 0.00 O ATOM 120 CB PRO A 7 48.441 -18.332 17.583 1.00 0.00 C ATOM 121 CG PRO A 7 49.314 -19.587 17.554 1.00 0.00 C ATOM 122 CD PRO A 7 49.769 -19.780 16.100 1.00 0.00 C ATOM 0 HA PRO A 7 47.875 -17.095 15.892 1.00 0.00 H new ATOM 0 HB2 PRO A 7 48.659 -17.723 18.461 1.00 0.00 H new ATOM 0 HB3 PRO A 7 47.383 -18.592 17.630 1.00 0.00 H new ATOM 0 HG2 PRO A 7 50.173 -19.475 18.216 1.00 0.00 H new ATOM 0 HG3 PRO A 7 48.754 -20.455 17.902 1.00 0.00 H new ATOM 0 HD2 PRO A 7 50.852 -19.884 16.034 1.00 0.00 H new ATOM 0 HD3 PRO A 7 49.336 -20.681 15.666 1.00 0.00 H new ATOM 130 N GLY A 8 49.313 -15.203 16.370 1.00 0.00 N ATOM 131 CA GLY A 8 50.226 -14.017 16.556 1.00 0.00 C ATOM 132 C GLY A 8 50.719 -13.474 15.199 1.00 0.00 C ATOM 133 O GLY A 8 51.041 -12.313 15.105 1.00 0.00 O ATOM 0 H GLY A 8 48.353 -14.968 16.116 1.00 0.00 H new ATOM 0 HA2 GLY A 8 49.699 -13.230 17.096 1.00 0.00 H new ATOM 0 HA3 GLY A 8 51.081 -14.305 17.168 1.00 0.00 H new ATOM 137 N THR A 9 50.814 -14.311 14.170 1.00 0.00 N ATOM 138 CA THR A 9 51.312 -13.869 12.825 1.00 0.00 C ATOM 139 C THR A 9 50.334 -14.297 11.707 1.00 0.00 C ATOM 140 O THR A 9 49.878 -13.468 10.968 1.00 0.00 O ATOM 141 CB THR A 9 52.706 -14.476 12.586 1.00 0.00 C ATOM 142 OG1 THR A 9 52.609 -15.878 12.336 1.00 0.00 O ATOM 143 CG2 THR A 9 53.566 -14.260 13.826 1.00 0.00 C ATOM 0 H THR A 9 50.560 -15.298 14.218 1.00 0.00 H new ATOM 0 HA THR A 9 51.378 -12.781 12.805 1.00 0.00 H new ATOM 0 HB THR A 9 53.153 -13.989 11.719 1.00 0.00 H new ATOM 0 HG1 THR A 9 53.505 -16.246 12.185 1.00 0.00 H new ATOM 0 HG21 THR A 9 54.555 -14.688 13.662 1.00 0.00 H new ATOM 0 HG22 THR A 9 53.661 -13.192 14.021 1.00 0.00 H new ATOM 0 HG23 THR A 9 53.098 -14.745 14.682 1.00 0.00 H new ATOM 151 N ALA A 10 49.996 -15.570 11.581 1.00 0.00 N ATOM 152 CA ALA A 10 49.023 -16.016 10.504 1.00 0.00 C ATOM 153 C ALA A 10 47.623 -15.492 10.858 1.00 0.00 C ATOM 154 O ALA A 10 47.011 -14.800 10.067 1.00 0.00 O ATOM 155 CB ALA A 10 49.034 -17.540 10.415 1.00 0.00 C ATOM 0 H ALA A 10 50.349 -16.320 12.175 1.00 0.00 H new ATOM 0 HA ALA A 10 49.313 -15.615 9.533 1.00 0.00 H new ATOM 0 HB1 ALA A 10 48.337 -17.864 9.643 1.00 0.00 H new ATOM 0 HB2 ALA A 10 50.038 -17.883 10.164 1.00 0.00 H new ATOM 0 HB3 ALA A 10 48.735 -17.963 11.374 1.00 0.00 H new ATOM 161 N GLU A 11 47.146 -15.755 12.061 1.00 0.00 N ATOM 162 CA GLU A 11 45.819 -15.186 12.504 1.00 0.00 C ATOM 163 C GLU A 11 45.933 -13.632 12.516 1.00 0.00 C ATOM 164 O GLU A 11 44.971 -12.926 12.272 1.00 0.00 O ATOM 165 CB GLU A 11 45.481 -15.712 13.904 1.00 0.00 C ATOM 166 CG GLU A 11 44.808 -17.088 13.776 1.00 0.00 C ATOM 167 CD GLU A 11 45.858 -18.195 13.658 1.00 0.00 C ATOM 168 OE1 GLU A 11 46.265 -18.485 12.544 1.00 0.00 O ATOM 169 OE2 GLU A 11 46.220 -18.742 14.677 1.00 0.00 O ATOM 0 H GLU A 11 47.616 -16.337 12.754 1.00 0.00 H new ATOM 0 HA GLU A 11 45.024 -15.488 11.822 1.00 0.00 H new ATOM 0 HB2 GLU A 11 46.387 -15.791 14.505 1.00 0.00 H new ATOM 0 HB3 GLU A 11 44.818 -15.016 14.417 1.00 0.00 H new ATOM 0 HG2 GLU A 11 44.175 -17.271 14.645 1.00 0.00 H new ATOM 0 HG3 GLU A 11 44.159 -17.101 12.900 1.00 0.00 H new ATOM 176 N GLU A 12 47.143 -13.122 12.740 1.00 0.00 N ATOM 177 CA GLU A 12 47.433 -11.652 12.710 1.00 0.00 C ATOM 178 C GLU A 12 47.320 -11.158 11.234 1.00 0.00 C ATOM 179 O GLU A 12 46.820 -10.076 10.965 1.00 0.00 O ATOM 180 CB GLU A 12 48.870 -11.486 13.288 1.00 0.00 C ATOM 181 CG GLU A 12 49.813 -10.693 12.361 1.00 0.00 C ATOM 182 CD GLU A 12 50.973 -10.087 13.150 1.00 0.00 C ATOM 183 OE1 GLU A 12 50.723 -9.260 14.015 1.00 0.00 O ATOM 184 OE2 GLU A 12 52.104 -10.424 12.844 1.00 0.00 O ATOM 0 H GLU A 12 47.960 -13.696 12.948 1.00 0.00 H new ATOM 0 HA GLU A 12 46.735 -11.059 13.300 1.00 0.00 H new ATOM 0 HB2 GLU A 12 48.810 -10.981 14.252 1.00 0.00 H new ATOM 0 HB3 GLU A 12 49.297 -12.472 13.471 1.00 0.00 H new ATOM 0 HG2 GLU A 12 50.202 -11.350 11.583 1.00 0.00 H new ATOM 0 HG3 GLU A 12 49.256 -9.901 11.860 1.00 0.00 H new ATOM 191 N ASN A 13 47.795 -11.975 10.299 1.00 0.00 N ATOM 192 CA ASN A 13 47.767 -11.664 8.826 1.00 0.00 C ATOM 193 C ASN A 13 46.323 -11.401 8.345 1.00 0.00 C ATOM 194 O ASN A 13 45.366 -11.622 9.072 1.00 0.00 O ATOM 195 CB ASN A 13 48.347 -12.872 8.070 1.00 0.00 C ATOM 196 CG ASN A 13 49.791 -12.626 7.665 1.00 0.00 C ATOM 197 OD1 ASN A 13 50.082 -12.379 6.519 1.00 0.00 O ATOM 198 ND2 ASN A 13 50.710 -12.681 8.569 1.00 0.00 N ATOM 0 H ASN A 13 48.216 -12.879 10.515 1.00 0.00 H new ATOM 0 HA ASN A 13 48.356 -10.767 8.634 1.00 0.00 H new ATOM 0 HB2 ASN A 13 48.289 -13.760 8.700 1.00 0.00 H new ATOM 0 HB3 ASN A 13 47.747 -13.071 7.182 1.00 0.00 H new ATOM 0 HD21 ASN A 13 51.684 -12.516 8.316 1.00 0.00 H new ATOM 0 HD22 ASN A 13 50.462 -12.890 9.536 1.00 0.00 H new ATOM 205 N LEU A 14 46.177 -10.909 7.120 1.00 0.00 N ATOM 206 CA LEU A 14 44.826 -10.562 6.529 1.00 0.00 C ATOM 207 C LEU A 14 44.269 -9.305 7.236 1.00 0.00 C ATOM 208 O LEU A 14 44.104 -8.268 6.614 1.00 0.00 O ATOM 209 CB LEU A 14 43.845 -11.738 6.628 1.00 0.00 C ATOM 210 CG LEU A 14 43.497 -12.176 5.206 1.00 0.00 C ATOM 211 CD1 LEU A 14 43.880 -13.633 5.012 1.00 0.00 C ATOM 212 CD2 LEU A 14 42.002 -11.996 4.965 1.00 0.00 C ATOM 0 H LEU A 14 46.960 -10.730 6.491 1.00 0.00 H new ATOM 0 HA LEU A 14 44.951 -10.350 5.467 1.00 0.00 H new ATOM 0 HB2 LEU A 14 44.292 -12.563 7.183 1.00 0.00 H new ATOM 0 HB3 LEU A 14 42.946 -11.441 7.167 1.00 0.00 H new ATOM 0 HG LEU A 14 44.050 -11.563 4.494 1.00 0.00 H new ATOM 0 HD11 LEU A 14 43.631 -13.943 3.997 1.00 0.00 H new ATOM 0 HD12 LEU A 14 44.951 -13.752 5.175 1.00 0.00 H new ATOM 0 HD13 LEU A 14 43.333 -14.251 5.724 1.00 0.00 H new ATOM 0 HD21 LEU A 14 41.757 -12.309 3.950 1.00 0.00 H new ATOM 0 HD22 LEU A 14 41.443 -12.603 5.677 1.00 0.00 H new ATOM 0 HD23 LEU A 14 41.736 -10.947 5.095 1.00 0.00 H new ATOM 224 N GLN A 15 44.038 -9.381 8.539 1.00 0.00 N ATOM 225 CA GLN A 15 43.556 -8.199 9.330 1.00 0.00 C ATOM 226 C GLN A 15 44.700 -7.166 9.422 1.00 0.00 C ATOM 227 O GLN A 15 44.470 -5.978 9.274 1.00 0.00 O ATOM 228 CB GLN A 15 43.152 -8.646 10.749 1.00 0.00 C ATOM 229 CG GLN A 15 41.784 -9.359 10.717 1.00 0.00 C ATOM 230 CD GLN A 15 41.938 -10.806 10.219 1.00 0.00 C ATOM 231 OE1 GLN A 15 41.343 -11.181 9.235 1.00 0.00 O ATOM 232 NE2 GLN A 15 42.713 -11.637 10.852 1.00 0.00 N ATOM 0 H GLN A 15 44.168 -10.230 9.090 1.00 0.00 H new ATOM 0 HA GLN A 15 42.689 -7.757 8.839 1.00 0.00 H new ATOM 0 HB2 GLN A 15 43.909 -9.316 11.156 1.00 0.00 H new ATOM 0 HB3 GLN A 15 43.103 -7.781 11.410 1.00 0.00 H new ATOM 0 HG2 GLN A 15 41.344 -9.357 11.714 1.00 0.00 H new ATOM 0 HG3 GLN A 15 41.100 -8.815 10.065 1.00 0.00 H new ATOM 0 HE21 GLN A 15 43.219 -11.330 11.683 1.00 0.00 H new ATOM 0 HE22 GLN A 15 42.815 -12.595 10.518 1.00 0.00 H new ATOM 241 N LYS A 16 45.935 -7.617 9.638 1.00 0.00 N ATOM 242 CA LYS A 16 47.097 -6.671 9.708 1.00 0.00 C ATOM 243 C LYS A 16 47.592 -6.384 8.268 1.00 0.00 C ATOM 244 O LYS A 16 48.624 -6.879 7.833 1.00 0.00 O ATOM 245 CB LYS A 16 48.217 -7.292 10.566 1.00 0.00 C ATOM 246 CG LYS A 16 49.255 -6.217 10.909 1.00 0.00 C ATOM 247 CD LYS A 16 50.151 -6.705 12.053 1.00 0.00 C ATOM 248 CE LYS A 16 51.411 -7.369 11.485 1.00 0.00 C ATOM 249 NZ LYS A 16 52.449 -7.473 12.557 1.00 0.00 N ATOM 0 H LYS A 16 46.175 -8.600 9.767 1.00 0.00 H new ATOM 0 HA LYS A 16 46.797 -5.732 10.172 1.00 0.00 H new ATOM 0 HB2 LYS A 16 47.798 -7.713 11.480 1.00 0.00 H new ATOM 0 HB3 LYS A 16 48.691 -8.111 10.026 1.00 0.00 H new ATOM 0 HG2 LYS A 16 49.861 -5.991 10.032 1.00 0.00 H new ATOM 0 HG3 LYS A 16 48.753 -5.293 11.197 1.00 0.00 H new ATOM 0 HD2 LYS A 16 50.428 -5.867 12.692 1.00 0.00 H new ATOM 0 HD3 LYS A 16 49.606 -7.414 12.676 1.00 0.00 H new ATOM 0 HE2 LYS A 16 51.170 -8.360 11.100 1.00 0.00 H new ATOM 0 HE3 LYS A 16 51.795 -6.787 10.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 53.183 -8.150 12.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 52.881 -6.540 12.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 52.006 -7.802 13.439 1.00 0.00 H new ATOM 263 N SER A 17 46.841 -5.589 7.530 1.00 0.00 N ATOM 264 CA SER A 17 47.219 -5.248 6.114 1.00 0.00 C ATOM 265 C SER A 17 48.040 -3.946 6.079 1.00 0.00 C ATOM 266 O SER A 17 47.800 -3.027 6.849 1.00 0.00 O ATOM 267 CB SER A 17 45.950 -5.075 5.274 1.00 0.00 C ATOM 268 OG SER A 17 46.293 -5.129 3.892 1.00 0.00 O ATOM 0 H SER A 17 45.974 -5.159 7.853 1.00 0.00 H new ATOM 0 HA SER A 17 47.823 -6.058 5.705 1.00 0.00 H new ATOM 0 HB2 SER A 17 45.231 -5.858 5.514 1.00 0.00 H new ATOM 0 HB3 SER A 17 45.473 -4.123 5.506 1.00 0.00 H new ATOM 0 HG SER A 17 45.484 -5.021 3.350 1.00 0.00 H new ATOM 274 N SER A 18 49.003 -3.866 5.183 1.00 0.00 N ATOM 275 CA SER A 18 49.860 -2.632 5.063 1.00 0.00 C ATOM 276 C SER A 18 50.227 -2.381 3.587 1.00 0.00 C ATOM 277 O SER A 18 50.207 -3.290 2.771 1.00 0.00 O ATOM 278 CB SER A 18 51.139 -2.816 5.885 1.00 0.00 C ATOM 279 OG SER A 18 51.709 -1.537 6.154 1.00 0.00 O ATOM 0 H SER A 18 49.234 -4.609 4.524 1.00 0.00 H new ATOM 0 HA SER A 18 49.302 -1.775 5.440 1.00 0.00 H new ATOM 0 HB2 SER A 18 50.915 -3.332 6.819 1.00 0.00 H new ATOM 0 HB3 SER A 18 51.850 -3.437 5.340 1.00 0.00 H new ATOM 0 HG SER A 18 52.527 -1.648 6.682 1.00 0.00 H new ATOM 285 N GLY A 19 50.561 -1.150 3.241 1.00 0.00 N ATOM 286 CA GLY A 19 50.934 -0.816 1.819 1.00 0.00 C ATOM 287 C GLY A 19 49.733 -0.201 1.087 1.00 0.00 C ATOM 288 O GLY A 19 49.807 0.921 0.618 1.00 0.00 O ATOM 0 H GLY A 19 50.591 -0.360 3.886 1.00 0.00 H new ATOM 0 HA2 GLY A 19 51.771 -0.118 1.809 1.00 0.00 H new ATOM 0 HA3 GLY A 19 51.263 -1.716 1.300 1.00 0.00 H new ATOM 292 N GLY A 20 48.629 -0.927 0.990 1.00 0.00 N ATOM 293 CA GLY A 20 47.400 -0.399 0.291 1.00 0.00 C ATOM 294 C GLY A 20 46.637 0.559 1.220 1.00 0.00 C ATOM 295 O GLY A 20 45.574 0.229 1.714 1.00 0.00 O ATOM 0 H GLY A 20 48.529 -1.869 1.369 1.00 0.00 H new ATOM 0 HA2 GLY A 20 47.687 0.120 -0.624 1.00 0.00 H new ATOM 0 HA3 GLY A 20 46.754 -1.227 -0.001 1.00 0.00 H new ATOM 299 N VAL A 21 47.185 1.735 1.461 1.00 0.00 N ATOM 300 CA VAL A 21 46.527 2.742 2.363 1.00 0.00 C ATOM 301 C VAL A 21 46.207 4.043 1.590 1.00 0.00 C ATOM 302 O VAL A 21 46.924 4.398 0.662 1.00 0.00 O ATOM 303 CB VAL A 21 47.454 3.071 3.550 1.00 0.00 C ATOM 304 CG1 VAL A 21 47.592 1.849 4.451 1.00 0.00 C ATOM 305 CG2 VAL A 21 48.845 3.482 3.059 1.00 0.00 C ATOM 0 H VAL A 21 48.073 2.042 1.064 1.00 0.00 H new ATOM 0 HA VAL A 21 45.596 2.312 2.732 1.00 0.00 H new ATOM 0 HB VAL A 21 47.013 3.899 4.104 1.00 0.00 H new ATOM 0 HG11 VAL A 21 48.248 2.087 5.288 1.00 0.00 H new ATOM 0 HG12 VAL A 21 46.610 1.563 4.829 1.00 0.00 H new ATOM 0 HG13 VAL A 21 48.016 1.023 3.881 1.00 0.00 H new ATOM 0 HG21 VAL A 21 49.481 3.709 3.915 1.00 0.00 H new ATOM 0 HG22 VAL A 21 49.285 2.665 2.487 1.00 0.00 H new ATOM 0 HG23 VAL A 21 48.761 4.365 2.425 1.00 0.00 H new ATOM 315 N PRO A 22 45.148 4.742 2.002 1.00 0.00 N ATOM 316 CA PRO A 22 44.749 6.020 1.369 1.00 0.00 C ATOM 317 C PRO A 22 45.612 7.193 1.886 1.00 0.00 C ATOM 318 O PRO A 22 45.155 8.098 2.574 1.00 0.00 O ATOM 319 CB PRO A 22 43.303 6.183 1.762 1.00 0.00 C ATOM 320 CG PRO A 22 43.086 5.337 3.041 1.00 0.00 C ATOM 321 CD PRO A 22 44.246 4.326 3.106 1.00 0.00 C ATOM 0 HA PRO A 22 44.888 6.016 0.288 1.00 0.00 H new ATOM 0 HB2 PRO A 22 43.069 7.231 1.948 1.00 0.00 H new ATOM 0 HB3 PRO A 22 42.645 5.847 0.961 1.00 0.00 H new ATOM 0 HG2 PRO A 22 43.076 5.971 3.927 1.00 0.00 H new ATOM 0 HG3 PRO A 22 42.126 4.822 3.006 1.00 0.00 H new ATOM 0 HD2 PRO A 22 44.753 4.362 4.070 1.00 0.00 H new ATOM 0 HD3 PRO A 22 43.893 3.304 2.969 1.00 0.00 H new ATOM 329 N GLY A 23 46.858 7.156 1.534 1.00 0.00 N ATOM 330 CA GLY A 23 47.843 8.223 1.947 1.00 0.00 C ATOM 331 C GLY A 23 48.368 8.984 0.715 1.00 0.00 C ATOM 332 O GLY A 23 49.547 9.277 0.629 1.00 0.00 O ATOM 0 H GLY A 23 47.262 6.415 0.960 1.00 0.00 H new ATOM 0 HA2 GLY A 23 47.365 8.920 2.635 1.00 0.00 H new ATOM 0 HA3 GLY A 23 48.676 7.768 2.482 1.00 0.00 H new ATOM 461 N PRO A 33 55.679 17.792 2.185 1.00 0.00 N ATOM 462 CA PRO A 33 55.885 18.889 3.132 1.00 0.00 C ATOM 463 C PRO A 33 57.366 19.053 3.544 1.00 0.00 C ATOM 464 O PRO A 33 58.151 18.124 3.469 1.00 0.00 O ATOM 465 CB PRO A 33 55.009 18.507 4.320 1.00 0.00 C ATOM 466 CG PRO A 33 54.776 17.009 4.241 1.00 0.00 C ATOM 467 CD PRO A 33 55.048 16.618 2.802 1.00 0.00 C ATOM 0 HA PRO A 33 55.623 19.855 2.701 1.00 0.00 H new ATOM 0 HB2 PRO A 33 55.496 18.772 5.258 1.00 0.00 H new ATOM 0 HB3 PRO A 33 54.062 19.046 4.289 1.00 0.00 H new ATOM 0 HG2 PRO A 33 55.438 16.475 4.922 1.00 0.00 H new ATOM 0 HG3 PRO A 33 53.755 16.758 4.527 1.00 0.00 H new ATOM 0 HD2 PRO A 33 55.703 15.748 2.749 1.00 0.00 H new ATOM 0 HD3 PRO A 33 54.125 16.353 2.287 1.00 0.00 H new ATOM 475 N ASN A 34 57.736 20.243 3.985 1.00 0.00 N ATOM 476 CA ASN A 34 59.152 20.522 4.427 1.00 0.00 C ATOM 477 C ASN A 34 59.185 21.881 5.159 1.00 0.00 C ATOM 478 O ASN A 34 59.374 22.922 4.552 1.00 0.00 O ATOM 479 CB ASN A 34 60.092 20.535 3.204 1.00 0.00 C ATOM 480 CG ASN A 34 61.447 19.947 3.588 1.00 0.00 C ATOM 481 OD1 ASN A 34 61.964 20.212 4.654 1.00 0.00 O ATOM 482 ND2 ASN A 34 62.051 19.159 2.757 1.00 0.00 N ATOM 0 H ASN A 34 57.107 21.043 4.058 1.00 0.00 H new ATOM 0 HA ASN A 34 59.493 19.741 5.106 1.00 0.00 H new ATOM 0 HB2 ASN A 34 59.653 19.959 2.390 1.00 0.00 H new ATOM 0 HB3 ASN A 34 60.218 21.555 2.841 1.00 0.00 H new ATOM 0 HD21 ASN A 34 62.959 18.762 2.999 1.00 0.00 H new ATOM 0 HD22 ASN A 34 61.619 18.935 1.861 1.00 0.00 H new ATOM 489 N TYR A 35 58.913 21.874 6.450 1.00 0.00 N ATOM 490 CA TYR A 35 58.827 23.130 7.234 1.00 0.00 C ATOM 491 C TYR A 35 59.672 23.095 8.524 1.00 0.00 C ATOM 492 O TYR A 35 60.460 23.981 8.788 1.00 0.00 O ATOM 493 CB TYR A 35 57.336 23.360 7.565 1.00 0.00 C ATOM 494 CG TYR A 35 56.642 22.161 8.024 1.00 0.00 C ATOM 495 CD1 TYR A 35 56.163 21.270 7.098 1.00 0.00 C ATOM 496 CD2 TYR A 35 56.476 21.967 9.370 1.00 0.00 C ATOM 497 CE1 TYR A 35 55.512 20.155 7.512 1.00 0.00 C ATOM 498 CE2 TYR A 35 55.829 20.861 9.813 1.00 0.00 C ATOM 499 CZ TYR A 35 55.331 19.922 8.889 1.00 0.00 C ATOM 500 OH TYR A 35 54.672 18.795 9.325 1.00 0.00 O ATOM 0 H TYR A 35 58.746 21.026 6.992 1.00 0.00 H new ATOM 0 HA TYR A 35 59.235 23.948 6.641 1.00 0.00 H new ATOM 0 HB2 TYR A 35 57.259 24.130 8.333 1.00 0.00 H new ATOM 0 HB3 TYR A 35 56.832 23.743 6.678 1.00 0.00 H new ATOM 0 HD1 TYR A 35 56.304 21.456 6.043 1.00 0.00 H new ATOM 0 HD2 TYR A 35 56.858 22.691 10.074 1.00 0.00 H new ATOM 0 HE1 TYR A 35 55.134 19.448 6.788 1.00 0.00 H new ATOM 0 HE2 TYR A 35 55.696 20.700 10.873 1.00 0.00 H new ATOM 0 HH TYR A 35 54.639 18.794 10.304 1.00 0.00 H new ATOM 510 N HIS A 36 59.483 22.080 9.314 1.00 0.00 N ATOM 511 CA HIS A 36 60.225 21.921 10.632 1.00 0.00 C ATOM 512 C HIS A 36 61.650 21.336 10.470 1.00 0.00 C ATOM 513 O HIS A 36 62.305 21.037 11.453 1.00 0.00 O ATOM 514 CB HIS A 36 59.391 21.082 11.643 1.00 0.00 C ATOM 515 CG HIS A 36 58.896 19.786 11.057 1.00 0.00 C ATOM 516 ND1 HIS A 36 57.985 18.980 11.711 1.00 0.00 N ATOM 517 CD2 HIS A 36 59.147 19.176 9.870 1.00 0.00 C ATOM 518 CE1 HIS A 36 57.721 17.936 10.907 1.00 0.00 C ATOM 519 NE2 HIS A 36 58.406 18.011 9.768 1.00 0.00 N ATOM 0 H HIS A 36 58.830 21.323 9.111 1.00 0.00 H new ATOM 0 HA HIS A 36 60.354 22.927 11.030 1.00 0.00 H new ATOM 0 HB2 HIS A 36 60.000 20.869 12.521 1.00 0.00 H new ATOM 0 HB3 HIS A 36 58.539 21.671 11.982 1.00 0.00 H new ATOM 0 HD1 HIS A 36 57.586 19.147 12.635 1.00 0.00 H new ATOM 0 HD2 HIS A 36 59.826 19.546 9.116 1.00 0.00 H new ATOM 0 HE1 HIS A 36 57.039 17.136 11.154 1.00 0.00 H new ATOM 527 N CYS A 37 62.127 21.181 9.244 1.00 0.00 N ATOM 528 CA CYS A 37 63.518 20.633 8.962 1.00 0.00 C ATOM 529 C CYS A 37 63.616 19.109 9.186 1.00 0.00 C ATOM 530 O CYS A 37 64.615 18.504 8.848 1.00 0.00 O ATOM 531 CB CYS A 37 64.585 21.372 9.794 1.00 0.00 C ATOM 532 SG CYS A 37 66.044 21.680 8.765 1.00 0.00 S ATOM 0 H CYS A 37 61.599 21.417 8.404 1.00 0.00 H new ATOM 0 HA CYS A 37 63.711 20.813 7.904 1.00 0.00 H new ATOM 0 HB2 CYS A 37 64.183 22.314 10.166 1.00 0.00 H new ATOM 0 HB3 CYS A 37 64.860 20.777 10.665 1.00 0.00 H new ATOM 0 HG CYS A 37 66.280 20.638 8.024 1.00 0.00 H new ATOM 538 N GLN A 38 62.573 18.477 9.670 1.00 0.00 N ATOM 539 CA GLN A 38 62.573 16.993 9.827 1.00 0.00 C ATOM 540 C GLN A 38 62.360 16.422 8.417 1.00 0.00 C ATOM 541 O GLN A 38 63.044 15.513 8.004 1.00 0.00 O ATOM 542 CB GLN A 38 61.457 16.598 10.835 1.00 0.00 C ATOM 543 CG GLN A 38 60.442 15.602 10.229 1.00 0.00 C ATOM 544 CD GLN A 38 59.810 14.764 11.335 1.00 0.00 C ATOM 545 OE1 GLN A 38 58.791 15.122 11.877 1.00 0.00 O ATOM 546 NE2 GLN A 38 60.373 13.653 11.695 1.00 0.00 N ATOM 0 H GLN A 38 61.711 18.936 9.966 1.00 0.00 H new ATOM 0 HA GLN A 38 63.502 16.593 10.234 1.00 0.00 H new ATOM 0 HB2 GLN A 38 61.912 16.155 11.721 1.00 0.00 H new ATOM 0 HB3 GLN A 38 60.931 17.495 11.161 1.00 0.00 H new ATOM 0 HG2 GLN A 38 59.668 16.144 9.685 1.00 0.00 H new ATOM 0 HG3 GLN A 38 60.942 14.953 9.510 1.00 0.00 H new ATOM 0 HE21 GLN A 38 61.233 13.347 11.241 1.00 0.00 H new ATOM 0 HE22 GLN A 38 59.956 13.085 12.433 1.00 0.00 H new ATOM 555 N LEU A 39 61.462 17.014 7.655 1.00 0.00 N ATOM 556 CA LEU A 39 61.261 16.578 6.244 1.00 0.00 C ATOM 557 C LEU A 39 62.539 16.932 5.447 1.00 0.00 C ATOM 558 O LEU A 39 62.924 16.205 4.551 1.00 0.00 O ATOM 559 CB LEU A 39 59.999 17.269 5.680 1.00 0.00 C ATOM 560 CG LEU A 39 58.776 16.330 5.792 1.00 0.00 C ATOM 561 CD1 LEU A 39 59.018 15.047 4.992 1.00 0.00 C ATOM 562 CD2 LEU A 39 58.518 15.965 7.261 1.00 0.00 C ATOM 0 H LEU A 39 60.862 17.781 7.958 1.00 0.00 H new ATOM 0 HA LEU A 39 61.101 15.502 6.170 1.00 0.00 H new ATOM 0 HB2 LEU A 39 59.808 18.193 6.226 1.00 0.00 H new ATOM 0 HB3 LEU A 39 60.161 17.543 4.637 1.00 0.00 H new ATOM 0 HG LEU A 39 57.907 16.851 5.390 1.00 0.00 H new ATOM 0 HD11 LEU A 39 58.149 14.394 5.079 1.00 0.00 H new ATOM 0 HD12 LEU A 39 59.180 15.297 3.944 1.00 0.00 H new ATOM 0 HD13 LEU A 39 59.897 14.535 5.383 1.00 0.00 H new ATOM 0 HD21 LEU A 39 57.654 15.303 7.325 1.00 0.00 H new ATOM 0 HD22 LEU A 39 59.393 15.460 7.669 1.00 0.00 H new ATOM 0 HD23 LEU A 39 58.323 16.872 7.833 1.00 0.00 H new ATOM 574 N CYS A 40 63.249 17.992 5.839 1.00 0.00 N ATOM 575 CA CYS A 40 64.556 18.328 5.185 1.00 0.00 C ATOM 576 C CYS A 40 65.593 17.286 5.649 1.00 0.00 C ATOM 577 O CYS A 40 66.477 16.929 4.887 1.00 0.00 O ATOM 578 CB CYS A 40 64.966 19.789 5.526 1.00 0.00 C ATOM 579 SG CYS A 40 66.357 19.867 6.698 1.00 0.00 S ATOM 0 H CYS A 40 62.968 18.629 6.584 1.00 0.00 H new ATOM 0 HA CYS A 40 64.482 18.283 4.098 1.00 0.00 H new ATOM 0 HB2 CYS A 40 65.239 20.310 4.608 1.00 0.00 H new ATOM 0 HB3 CYS A 40 64.109 20.314 5.948 1.00 0.00 H new ATOM 0 HG CYS A 40 66.315 20.993 7.346 1.00 0.00 H new ATOM 585 N PHE A 41 65.438 16.728 6.857 1.00 0.00 N ATOM 586 CA PHE A 41 66.339 15.645 7.312 1.00 0.00 C ATOM 587 C PHE A 41 66.042 14.467 6.416 1.00 0.00 C ATOM 588 O PHE A 41 66.951 13.938 5.833 1.00 0.00 O ATOM 589 CB PHE A 41 66.061 15.361 8.818 1.00 0.00 C ATOM 590 CG PHE A 41 65.966 13.913 9.208 1.00 0.00 C ATOM 591 CD1 PHE A 41 67.105 13.249 9.615 1.00 0.00 C ATOM 592 CD2 PHE A 41 64.721 13.286 9.312 1.00 0.00 C ATOM 593 CE1 PHE A 41 67.021 11.980 10.139 1.00 0.00 C ATOM 594 CE2 PHE A 41 64.638 12.001 9.798 1.00 0.00 C ATOM 595 CZ PHE A 41 65.784 11.340 10.235 1.00 0.00 C ATOM 0 H PHE A 41 64.717 16.996 7.527 1.00 0.00 H new ATOM 0 HA PHE A 41 67.398 15.894 7.241 1.00 0.00 H new ATOM 0 HB2 PHE A 41 66.853 15.824 9.407 1.00 0.00 H new ATOM 0 HB3 PHE A 41 65.128 15.853 9.094 1.00 0.00 H new ATOM 0 HD1 PHE A 41 68.068 13.729 9.522 1.00 0.00 H new ATOM 0 HD2 PHE A 41 63.825 13.809 9.011 1.00 0.00 H new ATOM 0 HE1 PHE A 41 67.915 11.477 10.477 1.00 0.00 H new ATOM 0 HE2 PHE A 41 63.681 11.503 9.841 1.00 0.00 H new ATOM 0 HZ PHE A 41 65.716 10.343 10.644 1.00 0.00 H new ATOM 605 N LEU A 42 64.775 14.107 6.235 1.00 0.00 N ATOM 606 CA LEU A 42 64.448 12.985 5.305 1.00 0.00 C ATOM 607 C LEU A 42 64.947 13.333 3.892 1.00 0.00 C ATOM 608 O LEU A 42 65.323 12.449 3.159 1.00 0.00 O ATOM 609 CB LEU A 42 62.925 12.748 5.298 1.00 0.00 C ATOM 610 CG LEU A 42 62.561 11.457 6.029 1.00 0.00 C ATOM 611 CD1 LEU A 42 62.961 11.586 7.486 1.00 0.00 C ATOM 612 CD2 LEU A 42 61.053 11.226 5.938 1.00 0.00 C ATOM 0 H LEU A 42 63.973 14.543 6.690 1.00 0.00 H new ATOM 0 HA LEU A 42 64.941 12.072 5.638 1.00 0.00 H new ATOM 0 HB2 LEU A 42 62.421 13.591 5.771 1.00 0.00 H new ATOM 0 HB3 LEU A 42 62.567 12.700 4.270 1.00 0.00 H new ATOM 0 HG LEU A 42 63.084 10.616 5.573 1.00 0.00 H new ATOM 0 HD11 LEU A 42 62.705 10.669 8.016 1.00 0.00 H new ATOM 0 HD12 LEU A 42 64.035 11.757 7.555 1.00 0.00 H new ATOM 0 HD13 LEU A 42 62.431 12.425 7.936 1.00 0.00 H new ATOM 0 HD21 LEU A 42 60.794 10.305 6.460 1.00 0.00 H new ATOM 0 HD22 LEU A 42 60.528 12.063 6.398 1.00 0.00 H new ATOM 0 HD23 LEU A 42 60.760 11.145 4.891 1.00 0.00 H new ATOM 624 N ARG A 43 65.003 14.611 3.521 1.00 0.00 N ATOM 625 CA ARG A 43 65.546 14.977 2.181 1.00 0.00 C ATOM 626 C ARG A 43 67.087 14.736 2.175 1.00 0.00 C ATOM 627 O ARG A 43 67.654 14.479 1.122 1.00 0.00 O ATOM 628 CB ARG A 43 65.143 16.455 1.859 1.00 0.00 C ATOM 629 CG ARG A 43 66.350 17.413 1.683 1.00 0.00 C ATOM 630 CD ARG A 43 66.634 17.635 0.189 1.00 0.00 C ATOM 631 NE ARG A 43 67.880 16.898 -0.206 1.00 0.00 N ATOM 632 CZ ARG A 43 68.890 17.530 -0.724 1.00 0.00 C ATOM 633 NH1 ARG A 43 68.789 18.047 -1.912 1.00 0.00 N ATOM 634 NH2 ARG A 43 69.999 17.622 -0.060 1.00 0.00 N ATOM 0 H ARG A 43 64.695 15.397 4.094 1.00 0.00 H new ATOM 0 HA ARG A 43 65.126 14.353 1.392 1.00 0.00 H new ATOM 0 HB2 ARG A 43 64.546 16.468 0.947 1.00 0.00 H new ATOM 0 HB3 ARG A 43 64.508 16.831 2.661 1.00 0.00 H new ATOM 0 HG2 ARG A 43 66.141 18.367 2.167 1.00 0.00 H new ATOM 0 HG3 ARG A 43 67.231 16.995 2.170 1.00 0.00 H new ATOM 0 HD2 ARG A 43 65.790 17.287 -0.407 1.00 0.00 H new ATOM 0 HD3 ARG A 43 66.750 18.700 -0.014 1.00 0.00 H new ATOM 0 HE ARG A 43 67.935 15.889 -0.066 1.00 0.00 H new ATOM 0 HH11 ARG A 43 67.918 17.956 -2.435 1.00 0.00 H new ATOM 0 HH12 ARG A 43 69.580 18.544 -2.321 1.00 0.00 H new ATOM 0 HH21 ARG A 43 70.076 17.199 0.865 1.00 0.00 H new ATOM 0 HH22 ARG A 43 70.795 18.117 -0.462 1.00 0.00 H new ATOM 648 N SER A 44 67.776 14.837 3.325 1.00 0.00 N ATOM 649 CA SER A 44 69.268 14.640 3.325 1.00 0.00 C ATOM 650 C SER A 44 69.785 13.814 4.548 1.00 0.00 C ATOM 651 O SER A 44 70.804 14.173 5.107 1.00 0.00 O ATOM 652 CB SER A 44 69.907 16.044 3.320 1.00 0.00 C ATOM 653 OG SER A 44 70.728 16.187 2.165 1.00 0.00 O ATOM 0 H SER A 44 67.364 15.043 4.235 1.00 0.00 H new ATOM 0 HA SER A 44 69.547 14.060 2.445 1.00 0.00 H new ATOM 0 HB2 SER A 44 69.130 16.809 3.324 1.00 0.00 H new ATOM 0 HB3 SER A 44 70.501 16.188 4.222 1.00 0.00 H new ATOM 0 HG SER A 44 71.279 16.993 2.253 1.00 0.00 H new ATOM 659 N LEU A 45 69.122 12.713 4.965 1.00 0.00 N ATOM 660 CA LEU A 45 69.635 11.849 6.128 1.00 0.00 C ATOM 661 C LEU A 45 71.020 11.238 5.736 1.00 0.00 C ATOM 662 O LEU A 45 71.119 10.058 5.409 1.00 0.00 O ATOM 663 CB LEU A 45 68.639 10.696 6.296 1.00 0.00 C ATOM 664 CG LEU A 45 67.732 10.889 7.470 1.00 0.00 C ATOM 665 CD1 LEU A 45 66.461 11.503 6.968 1.00 0.00 C ATOM 666 CD2 LEU A 45 67.386 9.545 8.081 1.00 0.00 C ATOM 0 H LEU A 45 68.252 12.382 4.548 1.00 0.00 H new ATOM 0 HA LEU A 45 69.734 12.439 7.039 1.00 0.00 H new ATOM 0 HB2 LEU A 45 68.040 10.602 5.390 1.00 0.00 H new ATOM 0 HB3 LEU A 45 69.187 9.761 6.414 1.00 0.00 H new ATOM 0 HG LEU A 45 68.220 11.518 8.214 1.00 0.00 H new ATOM 0 HD11 LEU A 45 65.777 11.657 7.802 1.00 0.00 H new ATOM 0 HD12 LEU A 45 66.681 12.461 6.498 1.00 0.00 H new ATOM 0 HD13 LEU A 45 65.999 10.838 6.238 1.00 0.00 H new ATOM 0 HD21 LEU A 45 66.725 9.693 8.935 1.00 0.00 H new ATOM 0 HD22 LEU A 45 66.884 8.926 7.337 1.00 0.00 H new ATOM 0 HD23 LEU A 45 68.299 9.049 8.410 1.00 0.00 H new ATOM 678 N GLY A 46 72.062 12.062 5.639 1.00 0.00 N ATOM 679 CA GLY A 46 73.404 11.586 5.121 1.00 0.00 C ATOM 680 C GLY A 46 73.219 11.005 3.680 1.00 0.00 C ATOM 681 O GLY A 46 74.075 10.304 3.185 1.00 0.00 O ATOM 0 H GLY A 46 72.035 13.048 5.899 1.00 0.00 H new ATOM 0 HA2 GLY A 46 74.115 12.412 5.105 1.00 0.00 H new ATOM 0 HA3 GLY A 46 73.814 10.824 5.784 1.00 0.00 H new ATOM 685 N ILE A 47 72.057 11.273 3.046 1.00 0.00 N ATOM 686 CA ILE A 47 71.644 10.763 1.689 1.00 0.00 C ATOM 687 C ILE A 47 71.705 9.208 1.520 1.00 0.00 C ATOM 688 O ILE A 47 71.185 8.699 0.541 1.00 0.00 O ATOM 689 CB ILE A 47 72.254 11.555 0.502 1.00 0.00 C ATOM 690 CG1 ILE A 47 73.372 12.543 0.933 1.00 0.00 C ATOM 691 CG2 ILE A 47 71.098 12.351 -0.143 1.00 0.00 C ATOM 692 CD1 ILE A 47 72.778 13.769 1.647 1.00 0.00 C ATOM 0 H ILE A 47 71.345 11.870 3.467 1.00 0.00 H new ATOM 0 HA ILE A 47 70.577 10.982 1.648 1.00 0.00 H new ATOM 0 HB ILE A 47 72.718 10.849 -0.186 1.00 0.00 H new ATOM 0 HG12 ILE A 47 74.074 12.037 1.595 1.00 0.00 H new ATOM 0 HG13 ILE A 47 73.935 12.865 0.057 1.00 0.00 H new ATOM 0 HG21 ILE A 47 71.479 12.927 -0.987 1.00 0.00 H new ATOM 0 HG22 ILE A 47 70.331 11.660 -0.492 1.00 0.00 H new ATOM 0 HG23 ILE A 47 70.667 13.029 0.594 1.00 0.00 H new ATOM 0 HD11 ILE A 47 73.582 14.445 1.938 1.00 0.00 H new ATOM 0 HD12 ILE A 47 72.095 14.287 0.974 1.00 0.00 H new ATOM 0 HD13 ILE A 47 72.236 13.445 2.536 1.00 0.00 H new ATOM 704 N ASP A 48 72.181 8.443 2.509 1.00 0.00 N ATOM 705 CA ASP A 48 72.102 6.942 2.440 1.00 0.00 C ATOM 706 C ASP A 48 70.646 6.583 2.790 1.00 0.00 C ATOM 707 O ASP A 48 70.102 5.630 2.260 1.00 0.00 O ATOM 708 CB ASP A 48 73.083 6.299 3.446 1.00 0.00 C ATOM 709 CG ASP A 48 72.810 4.791 3.572 1.00 0.00 C ATOM 710 OD1 ASP A 48 73.153 4.057 2.660 1.00 0.00 O ATOM 711 OD2 ASP A 48 72.245 4.395 4.575 1.00 0.00 O ATOM 0 H ASP A 48 72.618 8.807 3.355 1.00 0.00 H new ATOM 0 HA ASP A 48 72.378 6.570 1.453 1.00 0.00 H new ATOM 0 HB2 ASP A 48 74.109 6.463 3.118 1.00 0.00 H new ATOM 0 HB3 ASP A 48 72.979 6.776 4.420 1.00 0.00 H new ATOM 716 N TYR A 49 69.970 7.393 3.618 1.00 0.00 N ATOM 717 CA TYR A 49 68.549 7.128 3.881 1.00 0.00 C ATOM 718 C TYR A 49 67.749 7.488 2.577 1.00 0.00 C ATOM 719 O TYR A 49 66.624 7.102 2.414 1.00 0.00 O ATOM 720 CB TYR A 49 68.033 7.930 5.096 1.00 0.00 C ATOM 721 CG TYR A 49 66.571 8.058 4.981 1.00 0.00 C ATOM 722 CD1 TYR A 49 65.789 6.941 5.110 1.00 0.00 C ATOM 723 CD2 TYR A 49 66.032 9.260 4.606 1.00 0.00 C ATOM 724 CE1 TYR A 49 64.450 7.022 4.873 1.00 0.00 C ATOM 725 CE2 TYR A 49 64.710 9.370 4.351 1.00 0.00 C ATOM 726 CZ TYR A 49 63.880 8.247 4.483 1.00 0.00 C ATOM 727 OH TYR A 49 62.529 8.341 4.226 1.00 0.00 O ATOM 0 H TYR A 49 70.363 8.203 4.098 1.00 0.00 H new ATOM 0 HA TYR A 49 68.409 6.077 4.132 1.00 0.00 H new ATOM 0 HB2 TYR A 49 68.298 7.424 6.024 1.00 0.00 H new ATOM 0 HB3 TYR A 49 68.499 8.915 5.126 1.00 0.00 H new ATOM 0 HD1 TYR A 49 66.232 5.999 5.399 1.00 0.00 H new ATOM 0 HD2 TYR A 49 66.669 10.127 4.513 1.00 0.00 H new ATOM 0 HE1 TYR A 49 63.827 6.147 4.984 1.00 0.00 H new ATOM 0 HE2 TYR A 49 64.294 10.319 4.047 1.00 0.00 H new ATOM 0 HH TYR A 49 62.308 9.261 3.970 1.00 0.00 H new ATOM 737 N LEU A 50 68.299 8.208 1.626 1.00 0.00 N ATOM 738 CA LEU A 50 67.496 8.475 0.379 1.00 0.00 C ATOM 739 C LEU A 50 67.752 7.337 -0.593 1.00 0.00 C ATOM 740 O LEU A 50 66.866 6.927 -1.321 1.00 0.00 O ATOM 741 CB LEU A 50 67.645 9.919 -0.076 1.00 0.00 C ATOM 742 CG LEU A 50 66.831 10.751 0.970 1.00 0.00 C ATOM 743 CD1 LEU A 50 65.383 10.205 1.092 1.00 0.00 C ATOM 744 CD2 LEU A 50 67.445 10.541 2.349 1.00 0.00 C ATOM 0 H LEU A 50 69.235 8.612 1.651 1.00 0.00 H new ATOM 0 HA LEU A 50 66.417 8.445 0.530 1.00 0.00 H new ATOM 0 HB2 LEU A 50 68.692 10.222 -0.095 1.00 0.00 H new ATOM 0 HB3 LEU A 50 67.254 10.059 -1.084 1.00 0.00 H new ATOM 0 HG LEU A 50 66.841 11.793 0.649 1.00 0.00 H new ATOM 0 HD11 LEU A 50 64.832 10.796 1.824 1.00 0.00 H new ATOM 0 HD12 LEU A 50 64.886 10.271 0.124 1.00 0.00 H new ATOM 0 HD13 LEU A 50 65.413 9.164 1.414 1.00 0.00 H new ATOM 0 HD21 LEU A 50 66.886 11.116 3.087 1.00 0.00 H new ATOM 0 HD22 LEU A 50 67.406 9.483 2.608 1.00 0.00 H new ATOM 0 HD23 LEU A 50 68.483 10.874 2.340 1.00 0.00 H new ATOM 756 N ASP A 51 68.864 6.659 -0.366 1.00 0.00 N ATOM 757 CA ASP A 51 69.116 5.360 -0.973 1.00 0.00 C ATOM 758 C ASP A 51 67.992 4.471 -0.285 1.00 0.00 C ATOM 759 O ASP A 51 67.330 3.705 -0.943 1.00 0.00 O ATOM 760 CB ASP A 51 70.559 5.043 -0.557 1.00 0.00 C ATOM 761 CG ASP A 51 71.329 4.267 -1.634 1.00 0.00 C ATOM 762 OD1 ASP A 51 71.218 4.595 -2.805 1.00 0.00 O ATOM 763 OD2 ASP A 51 72.039 3.352 -1.264 1.00 0.00 O ATOM 0 H ASP A 51 69.615 6.990 0.240 1.00 0.00 H new ATOM 0 HA ASP A 51 69.058 5.238 -2.055 1.00 0.00 H new ATOM 0 HB2 ASP A 51 71.083 5.974 -0.341 1.00 0.00 H new ATOM 0 HB3 ASP A 51 70.548 4.462 0.365 1.00 0.00 H new ATOM 768 N ALA A 52 67.698 4.734 1.039 1.00 0.00 N ATOM 769 CA ALA A 52 66.527 4.098 1.807 1.00 0.00 C ATOM 770 C ALA A 52 65.247 4.460 1.063 1.00 0.00 C ATOM 771 O ALA A 52 64.470 3.569 0.765 1.00 0.00 O ATOM 772 CB ALA A 52 66.380 4.679 3.256 1.00 0.00 C ATOM 0 H ALA A 52 68.247 5.379 1.607 1.00 0.00 H new ATOM 0 HA ALA A 52 66.708 3.025 1.874 1.00 0.00 H new ATOM 0 HB1 ALA A 52 65.540 4.198 3.757 1.00 0.00 H new ATOM 0 HB2 ALA A 52 67.294 4.490 3.818 1.00 0.00 H new ATOM 0 HB3 ALA A 52 66.203 5.753 3.201 1.00 0.00 H new ATOM 778 N SER A 53 65.018 5.762 0.756 1.00 0.00 N ATOM 779 CA SER A 53 63.766 6.154 -0.012 1.00 0.00 C ATOM 780 C SER A 53 63.515 5.181 -1.201 1.00 0.00 C ATOM 781 O SER A 53 62.376 4.912 -1.541 1.00 0.00 O ATOM 782 CB SER A 53 63.912 7.580 -0.551 1.00 0.00 C ATOM 783 OG SER A 53 62.621 8.121 -0.831 1.00 0.00 O ATOM 0 H SER A 53 65.635 6.535 1.004 1.00 0.00 H new ATOM 0 HA SER A 53 62.918 6.100 0.671 1.00 0.00 H new ATOM 0 HB2 SER A 53 64.428 8.204 0.178 1.00 0.00 H new ATOM 0 HB3 SER A 53 64.520 7.577 -1.456 1.00 0.00 H new ATOM 0 HG SER A 53 62.716 9.034 -1.174 1.00 0.00 H new ATOM 789 N LEU A 54 64.571 4.632 -1.805 1.00 0.00 N ATOM 790 CA LEU A 54 64.403 3.651 -2.933 1.00 0.00 C ATOM 791 C LEU A 54 65.181 2.318 -2.652 1.00 0.00 C ATOM 792 O LEU A 54 65.660 1.679 -3.583 1.00 0.00 O ATOM 793 CB LEU A 54 64.888 4.306 -4.250 1.00 0.00 C ATOM 794 CG LEU A 54 66.380 4.695 -4.164 1.00 0.00 C ATOM 795 CD1 LEU A 54 67.167 3.991 -5.269 1.00 0.00 C ATOM 796 CD2 LEU A 54 66.525 6.206 -4.339 1.00 0.00 C ATOM 0 H LEU A 54 65.540 4.830 -1.555 1.00 0.00 H new ATOM 0 HA LEU A 54 63.348 3.393 -3.023 1.00 0.00 H new ATOM 0 HB2 LEU A 54 64.737 3.616 -5.080 1.00 0.00 H new ATOM 0 HB3 LEU A 54 64.290 5.193 -4.460 1.00 0.00 H new ATOM 0 HG LEU A 54 66.768 4.394 -3.191 1.00 0.00 H new ATOM 0 HD11 LEU A 54 68.218 4.271 -5.202 1.00 0.00 H new ATOM 0 HD12 LEU A 54 67.070 2.911 -5.153 1.00 0.00 H new ATOM 0 HD13 LEU A 54 66.774 4.288 -6.241 1.00 0.00 H new ATOM 0 HD21 LEU A 54 67.578 6.480 -4.278 1.00 0.00 H new ATOM 0 HD22 LEU A 54 66.129 6.499 -5.311 1.00 0.00 H new ATOM 0 HD23 LEU A 54 65.971 6.718 -3.552 1.00 0.00 H new ATOM 808 N ARG A 55 65.320 1.887 -1.389 1.00 0.00 N ATOM 809 CA ARG A 55 66.072 0.607 -1.088 1.00 0.00 C ATOM 810 C ARG A 55 65.249 -0.645 -1.517 1.00 0.00 C ATOM 811 O ARG A 55 65.044 -0.819 -2.707 1.00 0.00 O ATOM 812 CB ARG A 55 66.500 0.591 0.399 1.00 0.00 C ATOM 813 CG ARG A 55 67.887 1.233 0.507 1.00 0.00 C ATOM 814 CD ARG A 55 68.778 0.446 1.464 1.00 0.00 C ATOM 815 NE ARG A 55 69.142 1.338 2.611 1.00 0.00 N ATOM 816 CZ ARG A 55 70.316 1.923 2.676 1.00 0.00 C ATOM 817 NH1 ARG A 55 70.775 2.590 1.662 1.00 0.00 N ATOM 818 NH2 ARG A 55 71.021 1.832 3.760 1.00 0.00 N ATOM 0 H ARG A 55 64.946 2.368 -0.571 1.00 0.00 H new ATOM 0 HA ARG A 55 66.985 0.569 -1.682 1.00 0.00 H new ATOM 0 HB2 ARG A 55 65.780 1.138 1.007 1.00 0.00 H new ATOM 0 HB3 ARG A 55 66.524 -0.431 0.776 1.00 0.00 H new ATOM 0 HG2 ARG A 55 68.351 1.273 -0.478 1.00 0.00 H new ATOM 0 HG3 ARG A 55 67.790 2.261 0.856 1.00 0.00 H new ATOM 0 HD2 ARG A 55 68.257 -0.441 1.824 1.00 0.00 H new ATOM 0 HD3 ARG A 55 69.676 0.103 0.951 1.00 0.00 H new ATOM 0 HE ARG A 55 68.464 1.494 3.357 1.00 0.00 H new ATOM 0 HH11 ARG A 55 70.223 2.663 0.807 1.00 0.00 H new ATOM 0 HH12 ARG A 55 71.688 3.042 1.720 1.00 0.00 H new ATOM 0 HH21 ARG A 55 70.663 1.307 4.558 1.00 0.00 H new ATOM 0 HH22 ARG A 55 71.933 2.285 3.815 1.00 0.00 H new ATOM 832 N LYS A 56 64.820 -1.535 -0.605 1.00 0.00 N ATOM 833 CA LYS A 56 64.072 -2.802 -1.002 1.00 0.00 C ATOM 834 C LYS A 56 65.031 -3.678 -1.857 1.00 0.00 C ATOM 835 O LYS A 56 65.694 -4.553 -1.330 1.00 0.00 O ATOM 836 CB LYS A 56 62.766 -2.470 -1.767 1.00 0.00 C ATOM 837 CG LYS A 56 61.587 -2.419 -0.784 1.00 0.00 C ATOM 838 CD LYS A 56 60.320 -2.967 -1.458 1.00 0.00 C ATOM 839 CE LYS A 56 59.157 -2.947 -0.459 1.00 0.00 C ATOM 840 NZ LYS A 56 57.937 -3.544 -1.089 1.00 0.00 N ATOM 0 H LYS A 56 64.961 -1.430 0.400 1.00 0.00 H new ATOM 0 HA LYS A 56 63.770 -3.351 -0.110 1.00 0.00 H new ATOM 0 HB2 LYS A 56 62.867 -1.513 -2.279 1.00 0.00 H new ATOM 0 HB3 LYS A 56 62.581 -3.223 -2.533 1.00 0.00 H new ATOM 0 HG2 LYS A 56 61.818 -3.005 0.106 1.00 0.00 H new ATOM 0 HG3 LYS A 56 61.420 -1.393 -0.456 1.00 0.00 H new ATOM 0 HD2 LYS A 56 60.072 -2.366 -2.333 1.00 0.00 H new ATOM 0 HD3 LYS A 56 60.494 -3.984 -1.809 1.00 0.00 H new ATOM 0 HE2 LYS A 56 59.426 -3.507 0.437 1.00 0.00 H new ATOM 0 HE3 LYS A 56 58.952 -1.923 -0.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 57.151 -3.528 -0.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 57.676 -2.993 -1.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 58.135 -4.527 -1.366 1.00 0.00 H new ATOM 854 N LYS A 57 65.166 -3.385 -3.147 1.00 0.00 N ATOM 855 CA LYS A 57 66.140 -4.124 -4.033 1.00 0.00 C ATOM 856 C LYS A 57 67.598 -3.850 -3.559 1.00 0.00 C ATOM 857 O LYS A 57 68.476 -4.665 -3.771 1.00 0.00 O ATOM 858 CB LYS A 57 65.963 -3.670 -5.504 1.00 0.00 C ATOM 859 CG LYS A 57 66.318 -2.175 -5.674 1.00 0.00 C ATOM 860 CD LYS A 57 65.392 -1.532 -6.719 1.00 0.00 C ATOM 861 CE LYS A 57 64.078 -1.080 -6.062 1.00 0.00 C ATOM 862 NZ LYS A 57 64.243 0.294 -5.491 1.00 0.00 N ATOM 0 H LYS A 57 64.634 -2.656 -3.623 1.00 0.00 H new ATOM 0 HA LYS A 57 65.943 -5.194 -3.968 1.00 0.00 H new ATOM 0 HB2 LYS A 57 66.598 -4.273 -6.153 1.00 0.00 H new ATOM 0 HB3 LYS A 57 64.933 -3.840 -5.819 1.00 0.00 H new ATOM 0 HG2 LYS A 57 66.218 -1.658 -4.720 1.00 0.00 H new ATOM 0 HG3 LYS A 57 67.358 -2.072 -5.985 1.00 0.00 H new ATOM 0 HD2 LYS A 57 65.889 -0.678 -7.179 1.00 0.00 H new ATOM 0 HD3 LYS A 57 65.181 -2.245 -7.516 1.00 0.00 H new ATOM 0 HE2 LYS A 57 63.273 -1.084 -6.797 1.00 0.00 H new ATOM 0 HE3 LYS A 57 63.795 -1.779 -5.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 63.311 0.676 -5.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 64.846 0.248 -4.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 64.686 0.913 -6.199 1.00 0.00 H new ATOM 876 N ASN A 58 67.843 -2.711 -2.898 1.00 0.00 N ATOM 877 CA ASN A 58 69.217 -2.371 -2.376 1.00 0.00 C ATOM 878 C ASN A 58 69.720 -3.457 -1.395 1.00 0.00 C ATOM 879 O ASN A 58 70.918 -3.648 -1.285 1.00 0.00 O ATOM 880 CB ASN A 58 69.139 -1.003 -1.672 1.00 0.00 C ATOM 881 CG ASN A 58 70.506 -0.327 -1.533 1.00 0.00 C ATOM 882 OD1 ASN A 58 71.526 -0.960 -1.412 1.00 0.00 O ATOM 883 ND2 ASN A 58 70.563 0.960 -1.555 1.00 0.00 N ATOM 0 H ASN A 58 67.134 -2.004 -2.703 1.00 0.00 H new ATOM 0 HA ASN A 58 69.924 -2.328 -3.204 1.00 0.00 H new ATOM 0 HB2 ASN A 58 68.471 -0.349 -2.232 1.00 0.00 H new ATOM 0 HB3 ASN A 58 68.701 -1.133 -0.682 1.00 0.00 H new ATOM 0 HD21 ASN A 58 71.463 1.432 -1.471 1.00 0.00 H new ATOM 0 HD22 ASN A 58 69.708 1.507 -1.657 1.00 0.00 H new ATOM 890 N LYS A 59 68.830 -4.213 -0.734 1.00 0.00 N ATOM 891 CA LYS A 59 69.296 -5.338 0.170 1.00 0.00 C ATOM 892 C LYS A 59 70.268 -6.240 -0.638 1.00 0.00 C ATOM 893 O LYS A 59 71.259 -6.720 -0.113 1.00 0.00 O ATOM 894 CB LYS A 59 68.088 -6.162 0.654 1.00 0.00 C ATOM 895 CG LYS A 59 68.230 -6.466 2.154 1.00 0.00 C ATOM 896 CD LYS A 59 68.521 -7.963 2.365 1.00 0.00 C ATOM 897 CE LYS A 59 69.882 -8.153 3.052 1.00 0.00 C ATOM 898 NZ LYS A 59 70.935 -8.437 2.027 1.00 0.00 N ATOM 0 H LYS A 59 67.818 -4.094 -0.787 1.00 0.00 H new ATOM 0 HA LYS A 59 69.803 -4.930 1.044 1.00 0.00 H new ATOM 0 HB2 LYS A 59 67.165 -5.612 0.471 1.00 0.00 H new ATOM 0 HB3 LYS A 59 68.022 -7.092 0.090 1.00 0.00 H new ATOM 0 HG2 LYS A 59 69.035 -5.867 2.580 1.00 0.00 H new ATOM 0 HG3 LYS A 59 67.315 -6.188 2.678 1.00 0.00 H new ATOM 0 HD2 LYS A 59 67.734 -8.411 2.972 1.00 0.00 H new ATOM 0 HD3 LYS A 59 68.516 -8.480 1.405 1.00 0.00 H new ATOM 0 HE2 LYS A 59 70.143 -7.257 3.615 1.00 0.00 H new ATOM 0 HE3 LYS A 59 69.827 -8.974 3.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 71.796 -8.779 2.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 70.590 -9.163 1.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 71.151 -7.566 1.501 1.00 0.00 H new ATOM 912 N GLN A 60 70.003 -6.398 -1.929 1.00 0.00 N ATOM 913 CA GLN A 60 70.898 -7.170 -2.840 1.00 0.00 C ATOM 914 C GLN A 60 71.277 -6.253 -4.049 1.00 0.00 C ATOM 915 O GLN A 60 71.314 -6.697 -5.189 1.00 0.00 O ATOM 916 CB GLN A 60 70.153 -8.434 -3.321 1.00 0.00 C ATOM 917 CG GLN A 60 70.504 -9.630 -2.417 1.00 0.00 C ATOM 918 CD GLN A 60 69.481 -9.765 -1.281 1.00 0.00 C ATOM 919 OE1 GLN A 60 69.828 -9.653 -0.127 1.00 0.00 O ATOM 920 NE2 GLN A 60 68.231 -10.010 -1.550 1.00 0.00 N ATOM 0 H GLN A 60 69.179 -6.009 -2.387 1.00 0.00 H new ATOM 0 HA GLN A 60 71.808 -7.479 -2.326 1.00 0.00 H new ATOM 0 HB2 GLN A 60 69.077 -8.260 -3.306 1.00 0.00 H new ATOM 0 HB3 GLN A 60 70.425 -8.656 -4.353 1.00 0.00 H new ATOM 0 HG2 GLN A 60 70.523 -10.546 -3.007 1.00 0.00 H new ATOM 0 HG3 GLN A 60 71.503 -9.498 -2.001 1.00 0.00 H new ATOM 0 HE21 GLN A 60 67.927 -10.106 -2.519 1.00 0.00 H new ATOM 0 HE22 GLN A 60 67.555 -10.106 -0.792 1.00 0.00 H new ATOM 929 N ARG A 61 71.555 -4.962 -3.808 1.00 0.00 N ATOM 930 CA ARG A 61 71.914 -4.013 -4.932 1.00 0.00 C ATOM 931 C ARG A 61 73.327 -4.280 -5.540 1.00 0.00 C ATOM 932 O ARG A 61 73.769 -3.505 -6.378 1.00 0.00 O ATOM 933 CB ARG A 61 71.837 -2.556 -4.443 1.00 0.00 C ATOM 934 CG ARG A 61 70.797 -1.816 -5.308 1.00 0.00 C ATOM 935 CD ARG A 61 70.639 -0.355 -4.875 1.00 0.00 C ATOM 936 NE ARG A 61 71.917 0.402 -5.077 1.00 0.00 N ATOM 937 CZ ARG A 61 72.111 1.519 -4.442 1.00 0.00 C ATOM 938 NH1 ARG A 61 71.525 2.602 -4.844 1.00 0.00 N ATOM 939 NH2 ARG A 61 72.890 1.543 -3.409 1.00 0.00 N ATOM 0 H ARG A 61 71.546 -4.538 -2.881 1.00 0.00 H new ATOM 0 HA ARG A 61 71.185 -4.189 -5.723 1.00 0.00 H new ATOM 0 HB2 ARG A 61 71.551 -2.522 -3.392 1.00 0.00 H new ATOM 0 HB3 ARG A 61 72.812 -2.075 -4.524 1.00 0.00 H new ATOM 0 HG2 ARG A 61 71.100 -1.855 -6.354 1.00 0.00 H new ATOM 0 HG3 ARG A 61 69.835 -2.324 -5.235 1.00 0.00 H new ATOM 0 HD2 ARG A 61 69.839 0.114 -5.448 1.00 0.00 H new ATOM 0 HD3 ARG A 61 70.347 -0.312 -3.826 1.00 0.00 H new ATOM 0 HE ARG A 61 72.631 0.042 -5.710 1.00 0.00 H new ATOM 0 HH11 ARG A 61 70.912 2.578 -5.659 1.00 0.00 H new ATOM 0 HH12 ARG A 61 71.677 3.479 -4.346 1.00 0.00 H new ATOM 0 HH21 ARG A 61 73.349 0.687 -3.096 1.00 0.00 H new ATOM 0 HH22 ARG A 61 73.045 2.418 -2.908 1.00 0.00 H new ATOM 953 N LEU A 62 74.027 -5.364 -5.175 1.00 0.00 N ATOM 954 CA LEU A 62 75.381 -5.672 -5.787 1.00 0.00 C ATOM 955 C LEU A 62 75.138 -6.267 -7.204 1.00 0.00 C ATOM 956 O LEU A 62 75.376 -7.436 -7.474 1.00 0.00 O ATOM 957 CB LEU A 62 76.142 -6.669 -4.876 1.00 0.00 C ATOM 958 CG LEU A 62 77.605 -6.229 -4.668 1.00 0.00 C ATOM 959 CD1 LEU A 62 78.330 -6.127 -6.013 1.00 0.00 C ATOM 960 CD2 LEU A 62 77.653 -4.869 -3.960 1.00 0.00 C ATOM 0 H LEU A 62 73.712 -6.041 -4.481 1.00 0.00 H new ATOM 0 HA LEU A 62 75.991 -4.773 -5.875 1.00 0.00 H new ATOM 0 HB2 LEU A 62 75.640 -6.740 -3.911 1.00 0.00 H new ATOM 0 HB3 LEU A 62 76.118 -7.664 -5.321 1.00 0.00 H new ATOM 0 HG LEU A 62 78.102 -6.977 -4.050 1.00 0.00 H new ATOM 0 HD11 LEU A 62 79.361 -5.815 -5.848 1.00 0.00 H new ATOM 0 HD12 LEU A 62 78.319 -7.099 -6.507 1.00 0.00 H new ATOM 0 HD13 LEU A 62 77.826 -5.394 -6.643 1.00 0.00 H new ATOM 0 HD21 LEU A 62 78.691 -4.569 -3.819 1.00 0.00 H new ATOM 0 HD22 LEU A 62 77.139 -4.124 -4.568 1.00 0.00 H new ATOM 0 HD23 LEU A 62 77.162 -4.946 -2.990 1.00 0.00 H new ATOM 972 N LYS A 63 74.618 -5.420 -8.069 1.00 0.00 N ATOM 973 CA LYS A 63 74.221 -5.734 -9.500 1.00 0.00 C ATOM 974 C LYS A 63 73.234 -4.612 -9.921 1.00 0.00 C ATOM 975 O LYS A 63 73.317 -4.068 -11.005 1.00 0.00 O ATOM 976 CB LYS A 63 73.499 -7.102 -9.624 1.00 0.00 C ATOM 977 CG LYS A 63 74.022 -7.865 -10.854 1.00 0.00 C ATOM 978 CD LYS A 63 75.348 -8.569 -10.519 1.00 0.00 C ATOM 979 CE LYS A 63 75.079 -9.899 -9.797 1.00 0.00 C ATOM 980 NZ LYS A 63 75.836 -9.932 -8.507 1.00 0.00 N ATOM 0 H LYS A 63 74.438 -4.447 -7.823 1.00 0.00 H new ATOM 0 HA LYS A 63 75.111 -5.785 -10.127 1.00 0.00 H new ATOM 0 HB2 LYS A 63 73.664 -7.692 -8.723 1.00 0.00 H new ATOM 0 HB3 LYS A 63 72.424 -6.948 -9.712 1.00 0.00 H new ATOM 0 HG2 LYS A 63 73.284 -8.599 -11.177 1.00 0.00 H new ATOM 0 HG3 LYS A 63 74.168 -7.174 -11.684 1.00 0.00 H new ATOM 0 HD2 LYS A 63 75.912 -8.752 -11.434 1.00 0.00 H new ATOM 0 HD3 LYS A 63 75.961 -7.924 -9.890 1.00 0.00 H new ATOM 0 HE2 LYS A 63 74.012 -10.012 -9.607 1.00 0.00 H new ATOM 0 HE3 LYS A 63 75.380 -10.735 -10.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 75.456 -10.686 -7.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 76.841 -10.116 -8.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 75.738 -9.017 -8.023 1.00 0.00 H new ATOM 994 N ALA A 64 72.330 -4.245 -9.007 1.00 0.00 N ATOM 995 CA ALA A 64 71.339 -3.139 -9.235 1.00 0.00 C ATOM 996 C ALA A 64 71.920 -1.780 -8.757 1.00 0.00 C ATOM 997 O ALA A 64 71.173 -0.893 -8.365 1.00 0.00 O ATOM 998 CB ALA A 64 70.072 -3.482 -8.432 1.00 0.00 C ATOM 0 H ALA A 64 72.248 -4.688 -8.092 1.00 0.00 H new ATOM 0 HA ALA A 64 71.111 -3.048 -10.297 1.00 0.00 H new ATOM 0 HB1 ALA A 64 69.328 -2.698 -8.574 1.00 0.00 H new ATOM 0 HB2 ALA A 64 69.668 -4.433 -8.779 1.00 0.00 H new ATOM 0 HB3 ALA A 64 70.321 -3.558 -7.374 1.00 0.00 H new