USER MOD reduce.3.24.130724 H: found=0, std=0, add=463, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 460 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 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 8 LYS NZ :NH3+ 161:sc= -0.0889 (180deg=-0.54) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -0.0219 K(o=-0.022,f=-1.1) USER MOD Single : A 28 HIS : no HD1:sc= -2.78! X(o=-2.8!,f=-2.3) USER MOD Single : A 30 HIS : no HD1:sc= -4.81! C(o=-4.8!,f=-6!) USER MOD Single : A 32 LYS NZ :NH3+ 153:sc= -0.187 (180deg=-1.03) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ -163:sc= -0.0609 (180deg=-0.521) USER MOD Single : A 48 GLN : amide:sc= -1.4 K(o=-1.4,f=-2.1!) USER MOD Single : A 50 HIS : no HD1:sc= -1.55 X(o=-1.6,f=-1.4) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 5.874 41.698 56.080 1.00 0.00 N ATOM 2 CA GLY A 1 6.495 42.386 54.912 1.00 0.00 C ATOM 3 C GLY A 1 6.339 41.521 53.668 1.00 0.00 C ATOM 4 O GLY A 1 5.253 41.431 53.095 1.00 0.00 O ATOM 0 H1 GLY A 1 5.981 42.290 56.929 1.00 0.00 H new ATOM 0 H2 GLY A 1 4.863 41.541 55.893 1.00 0.00 H new ATOM 0 H3 GLY A 1 6.344 40.783 56.234 1.00 0.00 H new ATOM 0 HA2 GLY A 1 6.023 43.356 54.755 1.00 0.00 H new ATOM 0 HA3 GLY A 1 7.551 42.574 55.107 1.00 0.00 H new ATOM 10 N SER A 2 7.434 40.883 53.252 1.00 0.00 N ATOM 11 CA SER A 2 7.425 40.019 52.072 1.00 0.00 C ATOM 12 C SER A 2 8.017 38.659 52.413 1.00 0.00 C ATOM 13 O SER A 2 8.828 38.536 53.330 1.00 0.00 O ATOM 14 CB SER A 2 8.241 40.664 50.950 1.00 0.00 C ATOM 15 OG SER A 2 7.651 41.907 50.594 1.00 0.00 O ATOM 0 H SER A 2 8.340 40.949 53.716 1.00 0.00 H new ATOM 0 HA SER A 2 6.395 39.887 51.742 1.00 0.00 H new ATOM 0 HB2 SER A 2 9.270 40.817 51.275 1.00 0.00 H new ATOM 0 HB3 SER A 2 8.275 40.003 50.084 1.00 0.00 H new ATOM 0 HG SER A 2 8.173 42.323 49.876 1.00 0.00 H new ATOM 21 N ALA A 3 7.609 37.640 51.667 1.00 0.00 N ATOM 22 CA ALA A 3 8.109 36.291 51.900 1.00 0.00 C ATOM 23 C ALA A 3 9.622 36.256 51.725 1.00 0.00 C ATOM 24 O ALA A 3 10.328 35.566 52.461 1.00 0.00 O ATOM 25 CB ALA A 3 7.454 35.314 50.922 1.00 0.00 C ATOM 0 H ALA A 3 6.939 37.720 50.902 1.00 0.00 H new ATOM 0 HA ALA A 3 7.861 35.997 52.920 1.00 0.00 H new ATOM 0 HB1 ALA A 3 7.834 34.308 51.103 1.00 0.00 H new ATOM 0 HB2 ALA A 3 6.374 35.325 51.065 1.00 0.00 H new ATOM 0 HB3 ALA A 3 7.688 35.611 49.900 1.00 0.00 H new ATOM 31 N GLY A 4 10.114 37.003 50.743 1.00 0.00 N ATOM 32 CA GLY A 4 11.546 37.052 50.475 1.00 0.00 C ATOM 33 C GLY A 4 11.854 38.016 49.334 1.00 0.00 C ATOM 34 O GLY A 4 10.955 38.651 48.786 1.00 0.00 O ATOM 0 H GLY A 4 9.546 37.580 50.123 1.00 0.00 H new ATOM 0 HA2 GLY A 4 12.078 37.364 51.374 1.00 0.00 H new ATOM 0 HA3 GLY A 4 11.907 36.055 50.222 1.00 0.00 H new ATOM 38 N LEU A 5 13.136 38.117 48.979 1.00 0.00 N ATOM 39 CA LEU A 5 13.567 39.007 47.897 1.00 0.00 C ATOM 40 C LEU A 5 13.829 38.202 46.629 1.00 0.00 C ATOM 41 O LEU A 5 14.643 37.277 46.625 1.00 0.00 O ATOM 42 CB LEU A 5 14.841 39.747 48.322 1.00 0.00 C ATOM 43 CG LEU A 5 15.342 40.662 47.191 1.00 0.00 C ATOM 44 CD1 LEU A 5 14.270 41.707 46.839 1.00 0.00 C ATOM 45 CD2 LEU A 5 16.617 41.374 47.659 1.00 0.00 C ATOM 0 H LEU A 5 13.892 37.596 49.423 1.00 0.00 H new ATOM 0 HA LEU A 5 12.779 39.732 47.693 1.00 0.00 H new ATOM 0 HB2 LEU A 5 14.642 40.340 49.215 1.00 0.00 H new ATOM 0 HB3 LEU A 5 15.616 39.026 48.584 1.00 0.00 H new ATOM 0 HG LEU A 5 15.551 40.062 46.305 1.00 0.00 H new ATOM 0 HD11 LEU A 5 14.636 42.348 46.037 1.00 0.00 H new ATOM 0 HD12 LEU A 5 13.362 41.201 46.512 1.00 0.00 H new ATOM 0 HD13 LEU A 5 14.051 42.314 47.718 1.00 0.00 H new ATOM 0 HD21 LEU A 5 16.982 42.026 46.865 1.00 0.00 H new ATOM 0 HD22 LEU A 5 16.397 41.969 48.545 1.00 0.00 H new ATOM 0 HD23 LEU A 5 17.380 40.634 47.900 1.00 0.00 H new ATOM 57 N GLN A 6 13.138 38.561 45.552 1.00 0.00 N ATOM 58 CA GLN A 6 13.306 37.866 44.281 1.00 0.00 C ATOM 59 C GLN A 6 14.677 38.166 43.686 1.00 0.00 C ATOM 60 O GLN A 6 15.096 39.322 43.623 1.00 0.00 O ATOM 61 CB GLN A 6 12.211 38.299 43.301 1.00 0.00 C ATOM 62 CG GLN A 6 12.357 37.522 41.990 1.00 0.00 C ATOM 63 CD GLN A 6 11.204 37.864 41.052 1.00 0.00 C ATOM 64 OE1 GLN A 6 10.665 38.969 41.105 1.00 0.00 O ATOM 65 NE2 GLN A 6 10.789 36.974 40.192 1.00 0.00 N ATOM 0 H GLN A 6 12.461 39.324 45.533 1.00 0.00 H new ATOM 0 HA GLN A 6 13.228 36.793 44.459 1.00 0.00 H new ATOM 0 HB2 GLN A 6 11.228 38.117 43.735 1.00 0.00 H new ATOM 0 HB3 GLN A 6 12.282 39.370 43.110 1.00 0.00 H new ATOM 0 HG2 GLN A 6 13.308 37.767 41.516 1.00 0.00 H new ATOM 0 HG3 GLN A 6 12.368 36.451 42.191 1.00 0.00 H new ATOM 0 HE21 GLN A 6 11.237 36.059 40.149 1.00 0.00 H new ATOM 0 HE22 GLN A 6 10.017 37.194 39.563 1.00 0.00 H new ATOM 74 N GLU A 7 15.372 37.121 43.253 1.00 0.00 N ATOM 75 CA GLU A 7 16.696 37.285 42.667 1.00 0.00 C ATOM 76 C GLU A 7 17.559 38.188 43.543 1.00 0.00 C ATOM 77 O GLU A 7 17.747 39.367 43.243 1.00 0.00 O ATOM 78 CB GLU A 7 16.576 37.890 41.265 1.00 0.00 C ATOM 79 CG GLU A 7 17.955 37.950 40.608 1.00 0.00 C ATOM 80 CD GLU A 7 17.835 38.499 39.192 1.00 0.00 C ATOM 81 OE1 GLU A 7 16.726 38.807 38.789 1.00 0.00 O ATOM 82 OE2 GLU A 7 18.855 38.604 38.528 1.00 0.00 O1- ATOM 0 H GLU A 7 15.043 36.156 43.296 1.00 0.00 H new ATOM 0 HA GLU A 7 17.168 36.305 42.599 1.00 0.00 H new ATOM 0 HB2 GLU A 7 15.899 37.290 40.657 1.00 0.00 H new ATOM 0 HB3 GLU A 7 16.148 38.891 41.326 1.00 0.00 H new ATOM 0 HG2 GLU A 7 18.620 38.582 41.197 1.00 0.00 H new ATOM 0 HG3 GLU A 7 18.399 36.955 40.584 1.00 0.00 H new ATOM 89 N LYS A 8 18.079 37.627 44.630 1.00 0.00 N ATOM 90 CA LYS A 8 18.920 38.392 45.544 1.00 0.00 C ATOM 91 C LYS A 8 20.195 38.846 44.834 1.00 0.00 C ATOM 92 O LYS A 8 20.739 38.126 43.996 1.00 0.00 O ATOM 93 CB LYS A 8 19.273 37.552 46.773 1.00 0.00 C ATOM 94 CG LYS A 8 20.001 38.432 47.792 1.00 0.00 C ATOM 95 CD LYS A 8 20.292 37.624 49.058 1.00 0.00 C ATOM 96 CE LYS A 8 21.037 38.503 50.064 1.00 0.00 C ATOM 97 NZ LYS A 8 20.171 39.649 50.461 1.00 0.00 N1+ ATOM 0 H LYS A 8 17.935 36.654 44.898 1.00 0.00 H new ATOM 0 HA LYS A 8 18.366 39.272 45.870 1.00 0.00 H new ATOM 0 HB2 LYS A 8 18.368 37.135 47.215 1.00 0.00 H new ATOM 0 HB3 LYS A 8 19.904 36.711 46.485 1.00 0.00 H new ATOM 0 HG2 LYS A 8 20.932 38.805 47.365 1.00 0.00 H new ATOM 0 HG3 LYS A 8 19.392 39.302 48.037 1.00 0.00 H new ATOM 0 HD2 LYS A 8 19.360 37.263 49.494 1.00 0.00 H new ATOM 0 HD3 LYS A 8 20.890 36.746 48.813 1.00 0.00 H new ATOM 0 HE2 LYS A 8 21.309 37.918 50.942 1.00 0.00 H new ATOM 0 HE3 LYS A 8 21.965 38.870 49.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 20.520 40.055 51.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 20.194 40.376 49.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 19.194 39.317 50.591 1.00 0.00 H new ATOM 111 N GLU A 9 20.653 40.046 45.164 1.00 0.00 N ATOM 112 CA GLU A 9 21.855 40.598 44.541 1.00 0.00 C ATOM 113 C GLU A 9 23.078 39.726 44.816 1.00 0.00 C ATOM 114 O GLU A 9 23.930 39.553 43.945 1.00 0.00 O ATOM 115 CB GLU A 9 22.117 42.022 45.048 1.00 0.00 C ATOM 116 CG GLU A 9 21.071 42.988 44.480 1.00 0.00 C ATOM 117 CD GLU A 9 21.290 43.171 42.982 1.00 0.00 C ATOM 118 OE1 GLU A 9 22.359 42.817 42.512 1.00 0.00 O ATOM 119 OE2 GLU A 9 20.386 43.662 42.326 1.00 0.00 O1- ATOM 0 H GLU A 9 20.216 40.655 45.855 1.00 0.00 H new ATOM 0 HA GLU A 9 21.683 40.621 43.465 1.00 0.00 H new ATOM 0 HB2 GLU A 9 22.085 42.039 46.137 1.00 0.00 H new ATOM 0 HB3 GLU A 9 23.116 42.342 44.753 1.00 0.00 H new ATOM 0 HG2 GLU A 9 20.069 42.602 44.665 1.00 0.00 H new ATOM 0 HG3 GLU A 9 21.140 43.951 44.986 1.00 0.00 H new ATOM 126 N ARG A 10 23.170 39.184 46.026 1.00 0.00 N ATOM 127 CA ARG A 10 24.309 38.343 46.381 1.00 0.00 C ATOM 128 C ARG A 10 24.483 37.218 45.363 1.00 0.00 C ATOM 129 O ARG A 10 23.540 36.489 45.055 1.00 0.00 O ATOM 130 CB ARG A 10 24.105 37.749 47.775 1.00 0.00 C ATOM 131 CG ARG A 10 25.325 36.910 48.159 1.00 0.00 C ATOM 132 CD ARG A 10 25.190 36.449 49.611 1.00 0.00 C ATOM 133 NE ARG A 10 25.260 37.593 50.514 1.00 0.00 N ATOM 134 CZ ARG A 10 25.085 37.448 51.823 1.00 0.00 C ATOM 135 NH1 ARG A 10 25.154 38.487 52.609 1.00 0.00 N1+ ATOM 136 NH2 ARG A 10 24.847 36.266 52.322 1.00 0.00 N ATOM 0 H ARG A 10 22.481 39.309 46.768 1.00 0.00 H new ATOM 0 HA ARG A 10 25.208 38.960 46.379 1.00 0.00 H new ATOM 0 HB2 ARG A 10 23.956 38.547 48.503 1.00 0.00 H new ATOM 0 HB3 ARG A 10 23.207 37.131 47.790 1.00 0.00 H new ATOM 0 HG2 ARG A 10 25.409 36.047 47.499 1.00 0.00 H new ATOM 0 HG3 ARG A 10 26.236 37.496 48.035 1.00 0.00 H new ATOM 0 HD2 ARG A 10 24.243 35.927 49.747 1.00 0.00 H new ATOM 0 HD3 ARG A 10 25.982 35.740 49.850 1.00 0.00 H new ATOM 0 HE ARG A 10 25.447 38.521 50.133 1.00 0.00 H new ATOM 0 HH11 ARG A 10 25.342 39.410 52.218 1.00 0.00 H new ATOM 0 HH12 ARG A 10 25.020 38.376 53.614 1.00 0.00 H new ATOM 0 HH21 ARG A 10 24.795 35.454 51.707 1.00 0.00 H new ATOM 0 HH22 ARG A 10 24.713 36.154 53.327 1.00 0.00 H new ATOM 150 N GLU A 11 25.700 37.097 44.838 1.00 0.00 N ATOM 151 CA GLU A 11 26.010 36.074 43.844 1.00 0.00 C ATOM 152 C GLU A 11 25.882 34.667 44.427 1.00 0.00 C ATOM 153 O GLU A 11 25.407 33.750 43.756 1.00 0.00 O ATOM 154 CB GLU A 11 27.436 36.280 43.320 1.00 0.00 C ATOM 155 CG GLU A 11 27.707 35.328 42.145 1.00 0.00 C ATOM 156 CD GLU A 11 28.025 33.925 42.657 1.00 0.00 C ATOM 157 OE1 GLU A 11 28.524 33.813 43.764 1.00 0.00 O ATOM 158 OE2 GLU A 11 27.759 32.980 41.932 1.00 0.00 O1- ATOM 0 H GLU A 11 26.488 37.696 45.085 1.00 0.00 H new ATOM 0 HA GLU A 11 25.293 36.171 43.029 1.00 0.00 H new ATOM 0 HB2 GLU A 11 27.569 37.313 43.000 1.00 0.00 H new ATOM 0 HB3 GLU A 11 28.155 36.099 44.119 1.00 0.00 H new ATOM 0 HG2 GLU A 11 26.837 35.294 41.489 1.00 0.00 H new ATOM 0 HG3 GLU A 11 28.540 35.702 41.551 1.00 0.00 H new ATOM 165 N LEU A 12 26.323 34.497 45.669 1.00 0.00 N ATOM 166 CA LEU A 12 26.269 33.189 46.317 1.00 0.00 C ATOM 167 C LEU A 12 24.830 32.699 46.435 1.00 0.00 C ATOM 168 O LEU A 12 24.553 31.515 46.246 1.00 0.00 O ATOM 169 CB LEU A 12 26.896 33.272 47.713 1.00 0.00 C ATOM 170 CG LEU A 12 28.411 33.501 47.603 1.00 0.00 C ATOM 171 CD1 LEU A 12 28.970 33.803 48.998 1.00 0.00 C ATOM 172 CD2 LEU A 12 29.111 32.255 47.022 1.00 0.00 C ATOM 0 H LEU A 12 26.719 35.241 46.244 1.00 0.00 H new ATOM 0 HA LEU A 12 26.829 32.482 45.704 1.00 0.00 H new ATOM 0 HB2 LEU A 12 26.438 34.085 48.277 1.00 0.00 H new ATOM 0 HB3 LEU A 12 26.699 32.352 48.263 1.00 0.00 H new ATOM 0 HG LEU A 12 28.597 34.341 46.934 1.00 0.00 H new ATOM 0 HD11 LEU A 12 30.045 33.967 48.931 1.00 0.00 H new ATOM 0 HD12 LEU A 12 28.490 34.697 49.396 1.00 0.00 H new ATOM 0 HD13 LEU A 12 28.772 32.960 49.660 1.00 0.00 H new ATOM 0 HD21 LEU A 12 30.183 32.439 46.953 1.00 0.00 H new ATOM 0 HD22 LEU A 12 28.931 31.400 47.673 1.00 0.00 H new ATOM 0 HD23 LEU A 12 28.714 32.045 46.029 1.00 0.00 H new ATOM 184 N GLU A 13 23.918 33.610 46.751 1.00 0.00 N ATOM 185 CA GLU A 13 22.511 33.247 46.891 1.00 0.00 C ATOM 186 C GLU A 13 21.965 32.710 45.571 1.00 0.00 C ATOM 187 O GLU A 13 21.189 31.753 45.554 1.00 0.00 O ATOM 188 CB GLU A 13 21.695 34.464 47.331 1.00 0.00 C ATOM 189 CG GLU A 13 20.250 34.043 47.634 1.00 0.00 C ATOM 190 CD GLU A 13 19.455 33.892 46.339 1.00 0.00 C ATOM 191 OE1 GLU A 13 19.794 34.557 45.373 1.00 0.00 O ATOM 192 OE2 GLU A 13 18.515 33.115 46.333 1.00 0.00 O1- ATOM 0 H GLU A 13 24.123 34.596 46.914 1.00 0.00 H new ATOM 0 HA GLU A 13 22.429 32.468 47.649 1.00 0.00 H new ATOM 0 HB2 GLU A 13 22.145 34.914 48.216 1.00 0.00 H new ATOM 0 HB3 GLU A 13 21.705 35.222 46.548 1.00 0.00 H new ATOM 0 HG2 GLU A 13 20.247 33.101 48.182 1.00 0.00 H new ATOM 0 HG3 GLU A 13 19.775 34.786 48.275 1.00 0.00 H new ATOM 199 N ASP A 14 22.371 33.332 44.470 1.00 0.00 N ATOM 200 CA ASP A 14 21.911 32.909 43.151 1.00 0.00 C ATOM 201 C ASP A 14 22.310 31.461 42.884 1.00 0.00 C ATOM 202 O ASP A 14 21.521 30.678 42.355 1.00 0.00 O ATOM 203 CB ASP A 14 22.513 33.813 42.074 1.00 0.00 C ATOM 204 CG ASP A 14 21.965 33.427 40.704 1.00 0.00 C ATOM 205 OD1 ASP A 14 21.285 32.417 40.623 1.00 0.00 O ATOM 206 OD2 ASP A 14 22.234 34.146 39.756 1.00 0.00 O1- ATOM 0 H ASP A 14 23.013 34.125 44.463 1.00 0.00 H new ATOM 0 HA ASP A 14 20.824 32.986 43.123 1.00 0.00 H new ATOM 0 HB2 ASP A 14 22.277 34.855 42.289 1.00 0.00 H new ATOM 0 HB3 ASP A 14 23.599 33.724 42.079 1.00 0.00 H new ATOM 211 N LEU A 15 23.537 31.109 43.256 1.00 0.00 N ATOM 212 CA LEU A 15 24.025 29.749 43.051 1.00 0.00 C ATOM 213 C LEU A 15 23.180 28.760 43.847 1.00 0.00 C ATOM 214 O LEU A 15 22.877 27.664 43.373 1.00 0.00 O ATOM 215 CB LEU A 15 25.486 29.640 43.497 1.00 0.00 C ATOM 216 CG LEU A 15 26.396 30.431 42.544 1.00 0.00 C ATOM 217 CD1 LEU A 15 27.810 30.486 43.135 1.00 0.00 C ATOM 218 CD2 LEU A 15 26.439 29.761 41.154 1.00 0.00 C ATOM 0 H LEU A 15 24.206 31.740 43.697 1.00 0.00 H new ATOM 0 HA LEU A 15 23.952 29.513 41.989 1.00 0.00 H new ATOM 0 HB2 LEU A 15 25.593 30.021 44.512 1.00 0.00 H new ATOM 0 HB3 LEU A 15 25.790 28.593 43.516 1.00 0.00 H new ATOM 0 HG LEU A 15 26.000 31.440 42.428 1.00 0.00 H new ATOM 0 HD11 LEU A 15 28.463 31.046 42.465 1.00 0.00 H new ATOM 0 HD12 LEU A 15 27.779 30.979 44.107 1.00 0.00 H new ATOM 0 HD13 LEU A 15 28.194 29.473 43.254 1.00 0.00 H new ATOM 0 HD21 LEU A 15 27.088 30.335 40.493 1.00 0.00 H new ATOM 0 HD22 LEU A 15 26.826 28.747 41.251 1.00 0.00 H new ATOM 0 HD23 LEU A 15 25.433 29.727 40.735 1.00 0.00 H new ATOM 230 N LYS A 16 22.801 29.153 45.059 1.00 0.00 N ATOM 231 CA LYS A 16 21.990 28.293 45.913 1.00 0.00 C ATOM 232 C LYS A 16 20.661 27.975 45.234 1.00 0.00 C ATOM 233 O LYS A 16 20.205 26.832 45.245 1.00 0.00 O ATOM 234 CB LYS A 16 21.748 28.990 47.262 1.00 0.00 C ATOM 235 CG LYS A 16 20.867 28.136 48.197 1.00 0.00 C ATOM 236 CD LYS A 16 21.597 26.852 48.613 1.00 0.00 C ATOM 237 CE LYS A 16 20.810 26.163 49.730 1.00 0.00 C ATOM 238 NZ LYS A 16 21.513 24.912 50.134 1.00 0.00 N1+ ATOM 0 H LYS A 16 23.041 30.055 45.470 1.00 0.00 H new ATOM 0 HA LYS A 16 22.520 27.356 46.085 1.00 0.00 H new ATOM 0 HB2 LYS A 16 22.705 29.189 47.745 1.00 0.00 H new ATOM 0 HB3 LYS A 16 21.270 29.955 47.092 1.00 0.00 H new ATOM 0 HG2 LYS A 16 20.604 28.713 49.083 1.00 0.00 H new ATOM 0 HG3 LYS A 16 19.934 27.882 47.693 1.00 0.00 H new ATOM 0 HD2 LYS A 16 21.698 26.184 47.758 1.00 0.00 H new ATOM 0 HD3 LYS A 16 22.605 27.087 48.954 1.00 0.00 H new ATOM 0 HE2 LYS A 16 20.712 26.831 50.586 1.00 0.00 H new ATOM 0 HE3 LYS A 16 19.801 25.932 49.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 20.979 24.443 50.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 21.584 24.274 49.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 22.467 25.145 50.475 1.00 0.00 H new ATOM 252 N ASP A 17 20.044 28.993 44.643 1.00 0.00 N ATOM 253 CA ASP A 17 18.767 28.808 43.963 1.00 0.00 C ATOM 254 C ASP A 17 18.914 27.821 42.810 1.00 0.00 C ATOM 255 O ASP A 17 18.035 26.991 42.575 1.00 0.00 O ATOM 256 CB ASP A 17 18.260 30.148 43.425 1.00 0.00 C ATOM 257 CG ASP A 17 17.801 31.032 44.580 1.00 0.00 C ATOM 258 OD1 ASP A 17 17.661 30.518 45.676 1.00 0.00 O ATOM 259 OD2 ASP A 17 17.595 32.213 44.348 1.00 0.00 O1- ATOM 0 H ASP A 17 20.404 29.947 44.621 1.00 0.00 H new ATOM 0 HA ASP A 17 18.050 28.410 44.681 1.00 0.00 H new ATOM 0 HB2 ASP A 17 19.051 30.648 42.865 1.00 0.00 H new ATOM 0 HB3 ASP A 17 17.435 29.983 42.732 1.00 0.00 H new ATOM 264 N ALA A 18 20.029 27.916 42.093 1.00 0.00 N ATOM 265 CA ALA A 18 20.278 27.024 40.966 1.00 0.00 C ATOM 266 C ALA A 18 20.328 25.573 41.434 1.00 0.00 C ATOM 267 O ALA A 18 19.816 24.677 40.764 1.00 0.00 O ATOM 268 CB ALA A 18 21.601 27.393 40.291 1.00 0.00 C ATOM 0 H ALA A 18 20.769 28.595 42.270 1.00 0.00 H new ATOM 0 HA ALA A 18 19.463 27.135 40.250 1.00 0.00 H new ATOM 0 HB1 ALA A 18 21.780 26.723 39.450 1.00 0.00 H new ATOM 0 HB2 ALA A 18 21.552 28.421 39.931 1.00 0.00 H new ATOM 0 HB3 ALA A 18 22.415 27.299 41.010 1.00 0.00 H new ATOM 274 N GLU A 19 20.950 25.350 42.587 1.00 0.00 N ATOM 275 CA GLU A 19 21.061 24.003 43.136 1.00 0.00 C ATOM 276 C GLU A 19 19.677 23.430 43.422 1.00 0.00 C ATOM 277 O GLU A 19 19.406 22.264 43.138 1.00 0.00 O ATOM 278 CB GLU A 19 21.887 24.032 44.425 1.00 0.00 C ATOM 279 CG GLU A 19 22.055 22.610 44.966 1.00 0.00 C ATOM 280 CD GLU A 19 22.938 22.628 46.209 1.00 0.00 C ATOM 281 OE1 GLU A 19 23.371 23.703 46.589 1.00 0.00 O ATOM 282 OE2 GLU A 19 23.170 21.564 46.762 1.00 0.00 O1- ATOM 0 H GLU A 19 21.382 26.078 43.156 1.00 0.00 H new ATOM 0 HA GLU A 19 21.559 23.368 42.404 1.00 0.00 H new ATOM 0 HB2 GLU A 19 22.864 24.475 44.232 1.00 0.00 H new ATOM 0 HB3 GLU A 19 21.395 24.658 45.169 1.00 0.00 H new ATOM 0 HG2 GLU A 19 21.080 22.186 45.208 1.00 0.00 H new ATOM 0 HG3 GLU A 19 22.500 21.971 44.203 1.00 0.00 H new ATOM 289 N LEU A 20 18.804 24.259 43.983 1.00 0.00 N ATOM 290 CA LEU A 20 17.448 23.824 44.303 1.00 0.00 C ATOM 291 C LEU A 20 16.703 23.435 43.031 1.00 0.00 C ATOM 292 O LEU A 20 15.950 22.460 43.013 1.00 0.00 O ATOM 293 CB LEU A 20 16.691 24.949 45.014 1.00 0.00 C ATOM 294 CG LEU A 20 17.279 25.184 46.414 1.00 0.00 C ATOM 295 CD1 LEU A 20 16.657 26.454 47.009 1.00 0.00 C ATOM 296 CD2 LEU A 20 16.984 23.981 47.336 1.00 0.00 C ATOM 0 H LEU A 20 19.008 25.229 44.224 1.00 0.00 H new ATOM 0 HA LEU A 20 17.508 22.957 44.960 1.00 0.00 H new ATOM 0 HB2 LEU A 20 16.753 25.866 44.427 1.00 0.00 H new ATOM 0 HB3 LEU A 20 15.635 24.692 45.094 1.00 0.00 H new ATOM 0 HG LEU A 20 18.360 25.299 46.333 1.00 0.00 H new ATOM 0 HD11 LEU A 20 17.068 26.629 48.003 1.00 0.00 H new ATOM 0 HD12 LEU A 20 16.884 27.305 46.367 1.00 0.00 H new ATOM 0 HD13 LEU A 20 15.576 26.331 47.080 1.00 0.00 H new ATOM 0 HD21 LEU A 20 17.408 24.166 48.323 1.00 0.00 H new ATOM 0 HD22 LEU A 20 15.906 23.846 47.424 1.00 0.00 H new ATOM 0 HD23 LEU A 20 17.429 23.081 46.913 1.00 0.00 H new ATOM 308 N LYS A 21 16.915 24.204 41.968 1.00 0.00 N ATOM 309 CA LYS A 21 16.259 23.933 40.696 1.00 0.00 C ATOM 310 C LYS A 21 16.651 22.552 40.180 1.00 0.00 C ATOM 311 O LYS A 21 15.808 21.800 39.691 1.00 0.00 O ATOM 312 CB LYS A 21 16.653 25.002 39.671 1.00 0.00 C ATOM 313 CG LYS A 21 15.932 24.747 38.342 1.00 0.00 C ATOM 314 CD LYS A 21 16.303 25.842 37.342 1.00 0.00 C ATOM 315 CE LYS A 21 15.590 25.586 36.014 1.00 0.00 C ATOM 316 NZ LYS A 21 15.944 26.660 35.044 1.00 0.00 N1+ ATOM 0 H LYS A 21 17.533 25.016 41.963 1.00 0.00 H new ATOM 0 HA LYS A 21 15.180 23.957 40.846 1.00 0.00 H new ATOM 0 HB2 LYS A 21 16.397 25.992 40.049 1.00 0.00 H new ATOM 0 HB3 LYS A 21 17.732 24.989 39.517 1.00 0.00 H new ATOM 0 HG2 LYS A 21 16.210 23.770 37.947 1.00 0.00 H new ATOM 0 HG3 LYS A 21 14.853 24.733 38.498 1.00 0.00 H new ATOM 0 HD2 LYS A 21 16.021 26.819 37.735 1.00 0.00 H new ATOM 0 HD3 LYS A 21 17.382 25.859 37.190 1.00 0.00 H new ATOM 0 HE2 LYS A 21 15.878 24.613 35.616 1.00 0.00 H new ATOM 0 HE3 LYS A 21 14.511 25.561 36.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 15.459 26.486 34.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 15.648 27.582 35.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 16.972 26.663 34.890 1.00 0.00 H new ATOM 330 N ARG A 22 17.935 22.225 40.289 1.00 0.00 N ATOM 331 CA ARG A 22 18.426 20.932 39.826 1.00 0.00 C ATOM 332 C ARG A 22 17.767 19.795 40.604 1.00 0.00 C ATOM 333 O ARG A 22 17.416 18.763 40.034 1.00 0.00 O ATOM 334 CB ARG A 22 19.943 20.857 40.000 1.00 0.00 C ATOM 335 CG ARG A 22 20.618 21.803 39.005 1.00 0.00 C ATOM 336 CD ARG A 22 22.136 21.744 39.192 1.00 0.00 C ATOM 337 NE ARG A 22 22.798 22.634 38.246 1.00 0.00 N ATOM 338 CZ ARG A 22 24.120 22.746 38.218 1.00 0.00 C ATOM 339 NH1 ARG A 22 24.689 23.550 37.361 1.00 0.00 N1+ ATOM 340 NH2 ARG A 22 24.851 22.051 39.044 1.00 0.00 N ATOM 0 H ARG A 22 18.649 22.832 40.691 1.00 0.00 H new ATOM 0 HA ARG A 22 18.175 20.828 38.771 1.00 0.00 H new ATOM 0 HB2 ARG A 22 20.217 21.129 41.019 1.00 0.00 H new ATOM 0 HB3 ARG A 22 20.288 19.836 39.839 1.00 0.00 H new ATOM 0 HG2 ARG A 22 20.356 21.522 37.985 1.00 0.00 H new ATOM 0 HG3 ARG A 22 20.262 22.822 39.157 1.00 0.00 H new ATOM 0 HD2 ARG A 22 22.395 22.029 40.212 1.00 0.00 H new ATOM 0 HD3 ARG A 22 22.487 20.722 39.047 1.00 0.00 H new ATOM 0 HE ARG A 22 22.235 23.180 37.594 1.00 0.00 H new ATOM 0 HH11 ARG A 22 24.117 24.092 36.713 1.00 0.00 H new ATOM 0 HH12 ARG A 22 25.705 23.636 37.339 1.00 0.00 H new ATOM 0 HH21 ARG A 22 24.407 21.421 39.712 1.00 0.00 H new ATOM 0 HH22 ARG A 22 25.867 22.137 39.022 1.00 0.00 H new ATOM 354 N LEU A 23 17.599 19.993 41.906 1.00 0.00 N ATOM 355 CA LEU A 23 16.975 18.977 42.748 1.00 0.00 C ATOM 356 C LEU A 23 15.483 18.864 42.432 1.00 0.00 C ATOM 357 O LEU A 23 14.917 17.770 42.437 1.00 0.00 O ATOM 358 CB LEU A 23 17.182 19.329 44.240 1.00 0.00 C ATOM 359 CG LEU A 23 18.440 18.638 44.787 1.00 0.00 C ATOM 360 CD1 LEU A 23 19.681 19.130 44.041 1.00 0.00 C ATOM 361 CD2 LEU A 23 18.584 18.954 46.277 1.00 0.00 C ATOM 0 H LEU A 23 17.883 20.839 42.399 1.00 0.00 H new ATOM 0 HA LEU A 23 17.444 18.015 42.543 1.00 0.00 H new ATOM 0 HB2 LEU A 23 17.274 20.409 44.355 1.00 0.00 H new ATOM 0 HB3 LEU A 23 16.310 19.020 44.817 1.00 0.00 H new ATOM 0 HG LEU A 23 18.345 17.562 44.644 1.00 0.00 H new ATOM 0 HD11 LEU A 23 20.566 18.632 44.439 1.00 0.00 H new ATOM 0 HD12 LEU A 23 19.582 18.901 42.980 1.00 0.00 H new ATOM 0 HD13 LEU A 23 19.781 20.207 44.172 1.00 0.00 H new ATOM 0 HD21 LEU A 23 19.476 18.465 46.668 1.00 0.00 H new ATOM 0 HD22 LEU A 23 18.672 20.032 46.414 1.00 0.00 H new ATOM 0 HD23 LEU A 23 17.707 18.591 46.812 1.00 0.00 H new ATOM 373 N ASN A 24 14.851 20.003 42.174 1.00 0.00 N ATOM 374 CA ASN A 24 13.424 20.026 41.874 1.00 0.00 C ATOM 375 C ASN A 24 13.103 19.209 40.624 1.00 0.00 C ATOM 376 O ASN A 24 12.124 18.465 40.597 1.00 0.00 O ATOM 377 CB ASN A 24 12.960 21.469 41.670 1.00 0.00 C ATOM 378 CG ASN A 24 11.437 21.523 41.602 1.00 0.00 C ATOM 379 OD1 ASN A 24 10.756 20.755 42.281 1.00 0.00 O ATOM 380 ND2 ASN A 24 10.858 22.391 40.817 1.00 0.00 N ATOM 0 H ASN A 24 15.301 20.918 42.166 1.00 0.00 H new ATOM 0 HA ASN A 24 12.898 19.581 42.719 1.00 0.00 H new ATOM 0 HB2 ASN A 24 13.318 22.094 42.488 1.00 0.00 H new ATOM 0 HB3 ASN A 24 13.388 21.871 40.751 1.00 0.00 H new ATOM 0 HD21 ASN A 24 9.840 22.433 40.766 1.00 0.00 H new ATOM 0 HD22 ASN A 24 11.424 23.027 40.255 1.00 0.00 H new ATOM 387 N GLU A 25 13.928 19.351 39.589 1.00 0.00 N ATOM 388 CA GLU A 25 13.705 18.614 38.346 1.00 0.00 C ATOM 389 C GLU A 25 14.193 17.173 38.471 1.00 0.00 C ATOM 390 O GLU A 25 15.187 16.899 39.144 1.00 0.00 O ATOM 391 CB GLU A 25 14.423 19.310 37.187 1.00 0.00 C ATOM 392 CG GLU A 25 15.928 19.343 37.457 1.00 0.00 C ATOM 393 CD GLU A 25 16.639 20.107 36.346 1.00 0.00 C ATOM 394 OE1 GLU A 25 15.961 20.565 35.441 1.00 0.00 O ATOM 395 OE2 GLU A 25 17.852 20.225 36.418 1.00 0.00 O1- ATOM 0 H GLU A 25 14.746 19.960 39.584 1.00 0.00 H new ATOM 0 HA GLU A 25 12.633 18.597 38.147 1.00 0.00 H new ATOM 0 HB2 GLU A 25 14.223 18.783 36.254 1.00 0.00 H new ATOM 0 HB3 GLU A 25 14.043 20.325 37.068 1.00 0.00 H new ATOM 0 HG2 GLU A 25 16.123 19.817 38.419 1.00 0.00 H new ATOM 0 HG3 GLU A 25 16.317 18.327 37.518 1.00 0.00 H new ATOM 402 N GLU A 26 13.482 16.258 37.820 1.00 0.00 N ATOM 403 CA GLU A 26 13.839 14.841 37.857 1.00 0.00 C ATOM 404 C GLU A 26 14.925 14.528 36.830 1.00 0.00 C ATOM 405 O GLU A 26 15.078 15.241 35.838 1.00 0.00 O ATOM 406 CB GLU A 26 12.602 13.986 37.566 1.00 0.00 C ATOM 407 CG GLU A 26 11.551 14.187 38.670 1.00 0.00 C ATOM 408 CD GLU A 26 10.747 15.459 38.414 1.00 0.00 C ATOM 409 OE1 GLU A 26 11.015 16.121 37.426 1.00 0.00 O ATOM 410 OE2 GLU A 26 9.873 15.752 39.213 1.00 0.00 O1- ATOM 0 H GLU A 26 12.656 16.470 37.261 1.00 0.00 H new ATOM 0 HA GLU A 26 14.221 14.610 38.852 1.00 0.00 H new ATOM 0 HB2 GLU A 26 12.181 14.258 36.598 1.00 0.00 H new ATOM 0 HB3 GLU A 26 12.883 12.934 37.507 1.00 0.00 H new ATOM 0 HG2 GLU A 26 10.882 13.327 38.705 1.00 0.00 H new ATOM 0 HG3 GLU A 26 12.042 14.249 39.641 1.00 0.00 H new ATOM 417 N ARG A 27 15.672 13.455 37.078 1.00 0.00 N ATOM 418 CA ARG A 27 16.740 13.045 36.170 1.00 0.00 C ATOM 419 C ARG A 27 17.739 14.179 35.955 1.00 0.00 C ATOM 420 O ARG A 27 18.222 14.386 34.841 1.00 0.00 O ATOM 421 CB ARG A 27 16.146 12.624 34.822 1.00 0.00 C ATOM 422 CG ARG A 27 15.288 11.372 35.008 1.00 0.00 C ATOM 423 CD ARG A 27 14.901 10.810 33.640 1.00 0.00 C ATOM 424 NE ARG A 27 14.083 11.776 32.910 1.00 0.00 N ATOM 425 CZ ARG A 27 12.761 11.821 33.064 1.00 0.00 C ATOM 426 NH1 ARG A 27 12.057 12.692 32.395 1.00 0.00 N1+ ATOM 427 NH2 ARG A 27 12.170 10.997 33.886 1.00 0.00 N ATOM 0 H ARG A 27 15.558 12.856 37.896 1.00 0.00 H new ATOM 0 HA ARG A 27 17.263 12.201 36.620 1.00 0.00 H new ATOM 0 HB2 ARG A 27 15.542 13.433 34.411 1.00 0.00 H new ATOM 0 HB3 ARG A 27 16.945 12.427 34.107 1.00 0.00 H new ATOM 0 HG2 ARG A 27 15.838 10.623 35.578 1.00 0.00 H new ATOM 0 HG3 ARG A 27 14.392 11.614 35.580 1.00 0.00 H new ATOM 0 HD2 ARG A 27 15.799 10.577 33.068 1.00 0.00 H new ATOM 0 HD3 ARG A 27 14.351 9.877 33.764 1.00 0.00 H new ATOM 0 HE ARG A 27 14.534 12.429 32.269 1.00 0.00 H new ATOM 0 HH11 ARG A 27 12.519 13.338 31.755 1.00 0.00 H new ATOM 0 HH12 ARG A 27 11.044 12.727 32.512 1.00 0.00 H new ATOM 0 HH21 ARG A 27 12.721 10.318 34.411 1.00 0.00 H new ATOM 0 HH22 ARG A 27 11.157 11.032 34.003 1.00 0.00 H new ATOM 441 N HIS A 28 18.049 14.914 37.022 1.00 0.00 N ATOM 442 CA HIS A 28 18.994 16.020 36.923 1.00 0.00 C ATOM 443 C HIS A 28 20.393 15.503 36.602 1.00 0.00 C ATOM 444 O HIS A 28 21.257 16.259 36.157 1.00 0.00 O ATOM 445 CB HIS A 28 19.023 16.800 38.239 1.00 0.00 C ATOM 446 CG HIS A 28 19.591 15.930 39.328 1.00 0.00 C ATOM 447 ND1 HIS A 28 20.955 15.814 39.546 1.00 0.00 N ATOM 448 CD2 HIS A 28 18.992 15.130 40.269 1.00 0.00 C ATOM 449 CE1 HIS A 28 21.131 14.974 40.582 1.00 0.00 C ATOM 450 NE2 HIS A 28 19.965 14.527 41.059 1.00 0.00 N ATOM 0 H HIS A 28 17.663 14.765 37.954 1.00 0.00 H new ATOM 0 HA HIS A 28 18.671 16.680 36.118 1.00 0.00 H new ATOM 0 HB2 HIS A 28 19.627 17.700 38.127 1.00 0.00 H new ATOM 0 HB3 HIS A 28 18.016 17.122 38.505 1.00 0.00 H new ATOM 0 HD2 HIS A 28 17.927 14.990 40.379 1.00 0.00 H new ATOM 0 HE1 HIS A 28 22.096 14.695 40.979 1.00 0.00 H new ATOM 0 HE2 HIS A 28 19.820 13.882 41.836 1.00 0.00 H new ATOM 458 N ASP A 29 20.609 14.212 36.830 1.00 0.00 N ATOM 459 CA ASP A 29 21.908 13.606 36.561 1.00 0.00 C ATOM 460 C ASP A 29 22.256 13.720 35.081 1.00 0.00 C ATOM 461 O ASP A 29 23.405 13.975 34.721 1.00 0.00 O ATOM 462 CB ASP A 29 21.891 12.131 36.970 1.00 0.00 C ATOM 463 CG ASP A 29 21.868 12.012 38.490 1.00 0.00 C ATOM 464 OD1 ASP A 29 22.114 13.010 39.147 1.00 0.00 O ATOM 465 OD2 ASP A 29 21.604 10.924 38.975 1.00 0.00 O1- ATOM 0 H ASP A 29 19.907 13.569 37.198 1.00 0.00 H new ATOM 0 HA ASP A 29 22.662 14.136 37.142 1.00 0.00 H new ATOM 0 HB2 ASP A 29 21.017 11.637 36.545 1.00 0.00 H new ATOM 0 HB3 ASP A 29 22.769 11.624 36.570 1.00 0.00 H new ATOM 470 N HIS A 30 21.255 13.530 34.227 1.00 0.00 N ATOM 471 CA HIS A 30 21.467 13.614 32.786 1.00 0.00 C ATOM 472 C HIS A 30 21.901 15.023 32.392 1.00 0.00 C ATOM 473 O HIS A 30 22.769 15.198 31.537 1.00 0.00 O ATOM 474 CB HIS A 30 20.176 13.254 32.046 1.00 0.00 C ATOM 475 CG HIS A 30 19.921 11.776 32.164 1.00 0.00 C ATOM 476 ND1 HIS A 30 19.361 11.210 33.298 1.00 0.00 N ATOM 477 CD2 HIS A 30 20.140 10.735 31.295 1.00 0.00 C ATOM 478 CE1 HIS A 30 19.263 9.885 33.086 1.00 0.00 C ATOM 479 NE2 HIS A 30 19.724 9.542 31.879 1.00 0.00 N ATOM 0 H HIS A 30 20.297 13.319 34.505 1.00 0.00 H new ATOM 0 HA HIS A 30 22.253 12.910 32.511 1.00 0.00 H new ATOM 0 HB2 HIS A 30 19.338 13.812 32.464 1.00 0.00 H new ATOM 0 HB3 HIS A 30 20.256 13.537 30.996 1.00 0.00 H new ATOM 0 HD2 HIS A 30 20.570 10.828 30.309 1.00 0.00 H new ATOM 0 HE1 HIS A 30 18.861 9.184 33.803 1.00 0.00 H new ATOM 0 HE2 HIS A 30 19.763 8.607 31.473 1.00 0.00 H new ATOM 487 N ASP A 31 21.290 16.022 33.018 1.00 0.00 N ATOM 488 CA ASP A 31 21.619 17.412 32.723 1.00 0.00 C ATOM 489 C ASP A 31 23.079 17.706 33.055 1.00 0.00 C ATOM 490 O ASP A 31 23.760 18.421 32.320 1.00 0.00 O ATOM 491 CB ASP A 31 20.712 18.345 33.528 1.00 0.00 C ATOM 492 CG ASP A 31 19.291 18.297 32.977 1.00 0.00 C ATOM 493 OD1 ASP A 31 19.116 17.773 31.890 1.00 0.00 O ATOM 494 OD2 ASP A 31 18.400 18.786 33.652 1.00 0.00 O1- ATOM 0 H ASP A 31 20.569 15.897 33.728 1.00 0.00 H new ATOM 0 HA ASP A 31 21.463 17.582 31.658 1.00 0.00 H new ATOM 0 HB2 ASP A 31 20.714 18.050 34.577 1.00 0.00 H new ATOM 0 HB3 ASP A 31 21.094 19.365 33.483 1.00 0.00 H new ATOM 499 N LYS A 32 23.553 17.155 34.168 1.00 0.00 N ATOM 500 CA LYS A 32 24.933 17.372 34.585 1.00 0.00 C ATOM 501 C LYS A 32 25.904 16.849 33.530 1.00 0.00 C ATOM 502 O LYS A 32 26.866 17.526 33.169 1.00 0.00 O ATOM 503 CB LYS A 32 25.194 16.665 35.917 1.00 0.00 C ATOM 504 CG LYS A 32 26.646 16.914 36.347 1.00 0.00 C ATOM 505 CD LYS A 32 26.862 16.473 37.803 1.00 0.00 C ATOM 506 CE LYS A 32 26.924 14.945 37.898 1.00 0.00 C ATOM 507 NZ LYS A 32 28.062 14.444 37.076 1.00 0.00 N1+ ATOM 0 H LYS A 32 23.008 16.560 34.792 1.00 0.00 H new ATOM 0 HA LYS A 32 25.090 18.444 34.705 1.00 0.00 H new ATOM 0 HB2 LYS A 32 24.508 17.035 36.679 1.00 0.00 H new ATOM 0 HB3 LYS A 32 25.011 15.595 35.816 1.00 0.00 H new ATOM 0 HG2 LYS A 32 27.324 16.367 35.691 1.00 0.00 H new ATOM 0 HG3 LYS A 32 26.886 17.972 36.242 1.00 0.00 H new ATOM 0 HD2 LYS A 32 27.786 16.905 38.186 1.00 0.00 H new ATOM 0 HD3 LYS A 32 26.051 16.849 38.427 1.00 0.00 H new ATOM 0 HE2 LYS A 32 27.049 14.639 38.937 1.00 0.00 H new ATOM 0 HE3 LYS A 32 25.988 14.509 37.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 28.399 13.540 37.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 27.746 14.303 36.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 28.836 15.139 37.094 1.00 0.00 H new ATOM 521 N ARG A 33 25.640 15.644 33.036 1.00 0.00 N ATOM 522 CA ARG A 33 26.496 15.047 32.014 1.00 0.00 C ATOM 523 C ARG A 33 26.447 15.864 30.728 1.00 0.00 C ATOM 524 O ARG A 33 27.463 16.049 30.059 1.00 0.00 O ATOM 525 CB ARG A 33 26.069 13.603 31.731 1.00 0.00 C ATOM 526 CG ARG A 33 26.443 12.710 32.919 1.00 0.00 C ATOM 527 CD ARG A 33 25.861 11.310 32.710 1.00 0.00 C ATOM 528 NE ARG A 33 24.406 11.349 32.808 1.00 0.00 N ATOM 529 CZ ARG A 33 23.676 10.256 32.607 1.00 0.00 C ATOM 530 NH1 ARG A 33 22.376 10.315 32.704 1.00 0.00 N1+ ATOM 531 NH2 ARG A 33 24.259 9.127 32.311 1.00 0.00 N ATOM 0 H ARG A 33 24.850 15.066 33.322 1.00 0.00 H new ATOM 0 HA ARG A 33 27.519 15.044 32.389 1.00 0.00 H new ATOM 0 HB2 ARG A 33 24.994 13.559 31.556 1.00 0.00 H new ATOM 0 HB3 ARG A 33 26.555 13.241 30.825 1.00 0.00 H new ATOM 0 HG2 ARG A 33 27.527 12.653 33.018 1.00 0.00 H new ATOM 0 HG3 ARG A 33 26.061 13.140 33.845 1.00 0.00 H new ATOM 0 HD2 ARG A 33 26.157 10.928 31.733 1.00 0.00 H new ATOM 0 HD3 ARG A 33 26.265 10.625 33.456 1.00 0.00 H new ATOM 0 HE ARG A 33 23.941 12.228 33.034 1.00 0.00 H new ATOM 0 HH11 ARG A 33 21.921 11.199 32.934 1.00 0.00 H new ATOM 0 HH12 ARG A 33 21.815 9.477 32.550 1.00 0.00 H new ATOM 0 HH21 ARG A 33 25.275 9.083 32.234 1.00 0.00 H new ATOM 0 HH22 ARG A 33 23.699 8.289 32.157 1.00 0.00 H new ATOM 545 N GLU A 34 25.258 16.351 30.388 1.00 0.00 N ATOM 546 CA GLU A 34 25.089 17.148 29.178 1.00 0.00 C ATOM 547 C GLU A 34 25.934 18.415 29.260 1.00 0.00 C ATOM 548 O GLU A 34 26.576 18.809 28.287 1.00 0.00 O ATOM 549 CB GLU A 34 23.609 17.513 29.000 1.00 0.00 C ATOM 550 CG GLU A 34 23.408 18.324 27.712 1.00 0.00 C ATOM 551 CD GLU A 34 23.799 17.487 26.499 1.00 0.00 C ATOM 552 OE1 GLU A 34 23.821 16.273 26.620 1.00 0.00 O ATOM 553 OE2 GLU A 34 24.072 18.074 25.463 1.00 0.00 O1- ATOM 0 H GLU A 34 24.404 16.210 30.928 1.00 0.00 H new ATOM 0 HA GLU A 34 25.419 16.563 28.319 1.00 0.00 H new ATOM 0 HB2 GLU A 34 23.006 16.606 28.964 1.00 0.00 H new ATOM 0 HB3 GLU A 34 23.265 18.090 29.858 1.00 0.00 H new ATOM 0 HG2 GLU A 34 22.367 18.636 27.628 1.00 0.00 H new ATOM 0 HG3 GLU A 34 24.011 19.232 27.747 1.00 0.00 H new ATOM 560 N ALA A 35 25.928 19.050 30.428 1.00 0.00 N ATOM 561 CA ALA A 35 26.697 20.272 30.627 1.00 0.00 C ATOM 562 C ALA A 35 28.186 20.006 30.427 1.00 0.00 C ATOM 563 O ALA A 35 28.899 20.819 29.839 1.00 0.00 O ATOM 564 CB ALA A 35 26.459 20.817 32.035 1.00 0.00 C ATOM 0 H ALA A 35 25.403 18.741 31.246 1.00 0.00 H new ATOM 0 HA ALA A 35 26.369 21.008 29.894 1.00 0.00 H new ATOM 0 HB1 ALA A 35 27.038 21.730 32.174 1.00 0.00 H new ATOM 0 HB2 ALA A 35 25.399 21.036 32.166 1.00 0.00 H new ATOM 0 HB3 ALA A 35 26.770 20.075 32.770 1.00 0.00 H new ATOM 570 N GLU A 36 28.649 18.861 30.920 1.00 0.00 N ATOM 571 CA GLU A 36 30.055 18.498 30.789 1.00 0.00 C ATOM 572 C GLU A 36 30.432 18.342 29.319 1.00 0.00 C ATOM 573 O GLU A 36 31.518 18.744 28.900 1.00 0.00 O ATOM 574 CB GLU A 36 30.327 17.187 31.530 1.00 0.00 C ATOM 575 CG GLU A 36 30.172 17.408 33.038 1.00 0.00 C ATOM 576 CD GLU A 36 31.300 18.294 33.555 1.00 0.00 C ATOM 577 OE1 GLU A 36 32.290 18.427 32.855 1.00 0.00 O ATOM 578 OE2 GLU A 36 31.156 18.827 34.643 1.00 0.00 O1- ATOM 0 H GLU A 36 28.076 18.174 31.410 1.00 0.00 H new ATOM 0 HA GLU A 36 30.659 19.293 31.225 1.00 0.00 H new ATOM 0 HB2 GLU A 36 29.635 16.416 31.192 1.00 0.00 H new ATOM 0 HB3 GLU A 36 31.333 16.833 31.306 1.00 0.00 H new ATOM 0 HG2 GLU A 36 29.209 17.872 33.248 1.00 0.00 H new ATOM 0 HG3 GLU A 36 30.184 16.450 33.557 1.00 0.00 H new ATOM 585 N ARG A 37 29.529 17.754 28.542 1.00 0.00 N ATOM 586 CA ARG A 37 29.777 17.548 27.119 1.00 0.00 C ATOM 587 C ARG A 37 29.939 18.887 26.406 1.00 0.00 C ATOM 588 O ARG A 37 30.783 19.031 25.522 1.00 0.00 O ATOM 589 CB ARG A 37 28.616 16.772 26.494 1.00 0.00 C ATOM 590 CG ARG A 37 28.629 15.331 27.008 1.00 0.00 C ATOM 591 CD ARG A 37 27.455 14.561 26.401 1.00 0.00 C ATOM 592 NE ARG A 37 27.455 13.183 26.876 1.00 0.00 N ATOM 593 CZ ARG A 37 26.528 12.318 26.478 1.00 0.00 C ATOM 594 NH1 ARG A 37 26.548 11.090 26.918 1.00 0.00 N1+ ATOM 595 NH2 ARG A 37 25.595 12.699 25.646 1.00 0.00 N ATOM 0 H ARG A 37 28.625 17.414 28.870 1.00 0.00 H new ATOM 0 HA ARG A 37 30.698 16.975 27.008 1.00 0.00 H new ATOM 0 HB2 ARG A 37 27.669 17.250 26.744 1.00 0.00 H new ATOM 0 HB3 ARG A 37 28.701 16.782 25.407 1.00 0.00 H new ATOM 0 HG2 ARG A 37 29.570 14.848 26.744 1.00 0.00 H new ATOM 0 HG3 ARG A 37 28.560 15.321 28.096 1.00 0.00 H new ATOM 0 HD2 ARG A 37 26.516 15.045 26.669 1.00 0.00 H new ATOM 0 HD3 ARG A 37 27.523 14.578 25.313 1.00 0.00 H new ATOM 0 HE ARG A 37 28.180 12.877 27.526 1.00 0.00 H new ATOM 0 HH11 ARG A 37 27.276 10.793 27.568 1.00 0.00 H new ATOM 0 HH12 ARG A 37 25.836 10.427 26.612 1.00 0.00 H new ATOM 0 HH21 ARG A 37 25.579 13.659 25.303 1.00 0.00 H new ATOM 0 HH22 ARG A 37 24.883 12.036 25.340 1.00 0.00 H new ATOM 609 N LYS A 38 29.123 19.860 26.795 1.00 0.00 N ATOM 610 CA LYS A 38 29.182 21.184 26.188 1.00 0.00 C ATOM 611 C LYS A 38 30.555 21.809 26.413 1.00 0.00 C ATOM 612 O LYS A 38 31.136 22.402 25.503 1.00 0.00 O ATOM 613 CB LYS A 38 28.093 22.080 26.789 1.00 0.00 C ATOM 614 CG LYS A 38 28.081 23.442 26.078 1.00 0.00 C ATOM 615 CD LYS A 38 27.059 24.381 26.736 1.00 0.00 C ATOM 616 CE LYS A 38 25.632 23.976 26.352 1.00 0.00 C ATOM 617 NZ LYS A 38 24.680 25.022 26.822 1.00 0.00 N1+ ATOM 0 H LYS A 38 28.417 19.758 27.524 1.00 0.00 H new ATOM 0 HA LYS A 38 29.014 21.088 25.115 1.00 0.00 H new ATOM 0 HB2 LYS A 38 27.120 21.600 26.689 1.00 0.00 H new ATOM 0 HB3 LYS A 38 28.272 22.219 27.855 1.00 0.00 H new ATOM 0 HG2 LYS A 38 29.074 23.889 26.119 1.00 0.00 H new ATOM 0 HG3 LYS A 38 27.835 23.307 25.025 1.00 0.00 H new ATOM 0 HD2 LYS A 38 27.173 24.350 27.820 1.00 0.00 H new ATOM 0 HD3 LYS A 38 27.248 25.409 26.425 1.00 0.00 H new ATOM 0 HE2 LYS A 38 25.554 23.856 25.271 1.00 0.00 H new ATOM 0 HE3 LYS A 38 25.382 23.014 26.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 23.710 24.750 26.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 24.749 25.115 27.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 24.916 25.931 26.376 1.00 0.00 H new ATOM 631 N ALA A 39 31.068 21.678 27.632 1.00 0.00 N ATOM 632 CA ALA A 39 32.374 22.238 27.963 1.00 0.00 C ATOM 633 C ALA A 39 33.465 21.613 27.101 1.00 0.00 C ATOM 634 O ALA A 39 34.372 22.301 26.636 1.00 0.00 O ATOM 635 CB ALA A 39 32.687 21.993 29.441 1.00 0.00 C ATOM 0 H ALA A 39 30.605 21.194 28.401 1.00 0.00 H new ATOM 0 HA ALA A 39 32.346 23.310 27.768 1.00 0.00 H new ATOM 0 HB1 ALA A 39 33.664 22.414 29.681 1.00 0.00 H new ATOM 0 HB2 ALA A 39 31.925 22.469 30.058 1.00 0.00 H new ATOM 0 HB3 ALA A 39 32.696 20.921 29.638 1.00 0.00 H new ATOM 641 N LEU A 40 33.369 20.303 26.889 1.00 0.00 N ATOM 642 CA LEU A 40 34.355 19.599 26.077 1.00 0.00 C ATOM 643 C LEU A 40 34.327 20.115 24.641 1.00 0.00 C ATOM 644 O LEU A 40 35.371 20.269 24.006 1.00 0.00 O ATOM 645 CB LEU A 40 34.067 18.094 26.086 1.00 0.00 C ATOM 646 CG LEU A 40 34.342 17.510 27.481 1.00 0.00 C ATOM 647 CD1 LEU A 40 33.841 16.063 27.524 1.00 0.00 C ATOM 648 CD2 LEU A 40 35.854 17.545 27.795 1.00 0.00 C ATOM 0 H LEU A 40 32.626 19.713 27.264 1.00 0.00 H new ATOM 0 HA LEU A 40 35.343 19.780 26.501 1.00 0.00 H new ATOM 0 HB2 LEU A 40 33.029 17.913 25.806 1.00 0.00 H new ATOM 0 HB3 LEU A 40 34.689 17.593 25.345 1.00 0.00 H new ATOM 0 HG LEU A 40 33.820 18.108 28.228 1.00 0.00 H new ATOM 0 HD11 LEU A 40 34.032 15.641 28.511 1.00 0.00 H new ATOM 0 HD12 LEU A 40 32.770 16.043 27.322 1.00 0.00 H new ATOM 0 HD13 LEU A 40 34.364 15.474 26.770 1.00 0.00 H new ATOM 0 HD21 LEU A 40 36.029 17.128 28.787 1.00 0.00 H new ATOM 0 HD22 LEU A 40 36.393 16.956 27.053 1.00 0.00 H new ATOM 0 HD23 LEU A 40 36.208 18.576 27.767 1.00 0.00 H new ATOM 660 N GLU A 41 33.127 20.378 24.136 1.00 0.00 N ATOM 661 CA GLU A 41 32.974 20.875 22.773 1.00 0.00 C ATOM 662 C GLU A 41 33.651 22.233 22.619 1.00 0.00 C ATOM 663 O GLU A 41 34.277 22.511 21.596 1.00 0.00 O ATOM 664 CB GLU A 41 31.489 21.001 22.428 1.00 0.00 C ATOM 665 CG GLU A 41 30.875 19.607 22.294 1.00 0.00 C ATOM 666 CD GLU A 41 29.364 19.717 22.122 1.00 0.00 C ATOM 667 OE1 GLU A 41 28.840 20.797 22.337 1.00 0.00 O ATOM 668 OE2 GLU A 41 28.752 18.718 21.778 1.00 0.00 O1- ATOM 0 H GLU A 41 32.252 20.257 24.645 1.00 0.00 H new ATOM 0 HA GLU A 41 33.447 20.167 22.092 1.00 0.00 H new ATOM 0 HB2 GLU A 41 30.971 21.565 23.204 1.00 0.00 H new ATOM 0 HB3 GLU A 41 31.367 21.554 21.497 1.00 0.00 H new ATOM 0 HG2 GLU A 41 31.310 19.090 21.439 1.00 0.00 H new ATOM 0 HG3 GLU A 41 31.106 19.012 23.178 1.00 0.00 H new ATOM 675 N ASP A 42 33.520 23.074 23.640 1.00 0.00 N ATOM 676 CA ASP A 42 34.121 24.401 23.606 1.00 0.00 C ATOM 677 C ASP A 42 35.639 24.302 23.482 1.00 0.00 C ATOM 678 O ASP A 42 36.256 25.033 22.705 1.00 0.00 O ATOM 679 CB ASP A 42 33.760 25.171 24.878 1.00 0.00 C ATOM 680 CG ASP A 42 34.317 26.588 24.807 1.00 0.00 C ATOM 681 OD1 ASP A 42 35.061 26.865 23.880 1.00 0.00 O ATOM 682 OD2 ASP A 42 33.992 27.376 25.678 1.00 0.00 O1- ATOM 0 H ASP A 42 33.007 22.862 24.495 1.00 0.00 H new ATOM 0 HA ASP A 42 33.732 24.932 22.737 1.00 0.00 H new ATOM 0 HB2 ASP A 42 32.677 25.203 24.998 1.00 0.00 H new ATOM 0 HB3 ASP A 42 34.163 24.657 25.751 1.00 0.00 H new ATOM 687 N LYS A 43 36.234 23.394 24.248 1.00 0.00 N ATOM 688 CA LYS A 43 37.683 23.211 24.208 1.00 0.00 C ATOM 689 C LYS A 43 38.130 22.741 22.828 1.00 0.00 C ATOM 690 O LYS A 43 39.159 23.180 22.315 1.00 0.00 O ATOM 691 CB LYS A 43 38.128 22.196 25.268 1.00 0.00 C ATOM 692 CG LYS A 43 37.984 22.804 26.668 1.00 0.00 C ATOM 693 CD LYS A 43 38.431 21.780 27.714 1.00 0.00 C ATOM 694 CE LYS A 43 38.297 22.386 29.112 1.00 0.00 C ATOM 695 NZ LYS A 43 38.726 21.386 30.129 1.00 0.00 N1+ ATOM 0 H LYS A 43 35.744 22.779 24.897 1.00 0.00 H new ATOM 0 HA LYS A 43 38.148 24.174 24.420 1.00 0.00 H new ATOM 0 HB2 LYS A 43 37.526 21.291 25.192 1.00 0.00 H new ATOM 0 HB3 LYS A 43 39.164 21.906 25.093 1.00 0.00 H new ATOM 0 HG2 LYS A 43 38.587 23.709 26.748 1.00 0.00 H new ATOM 0 HG3 LYS A 43 36.949 23.094 26.846 1.00 0.00 H new ATOM 0 HD2 LYS A 43 37.824 20.878 27.638 1.00 0.00 H new ATOM 0 HD3 LYS A 43 39.464 21.485 27.531 1.00 0.00 H new ATOM 0 HE2 LYS A 43 38.908 23.285 29.190 1.00 0.00 H new ATOM 0 HE3 LYS A 43 37.265 22.685 29.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 38.635 21.797 31.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 38.125 20.540 30.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 39.717 21.122 29.959 1.00 0.00 H new ATOM 709 N LEU A 44 37.349 21.846 22.231 1.00 0.00 N ATOM 710 CA LEU A 44 37.675 21.326 20.908 1.00 0.00 C ATOM 711 C LEU A 44 37.648 22.445 19.873 1.00 0.00 C ATOM 712 O LEU A 44 38.490 22.494 18.974 1.00 0.00 O ATOM 713 CB LEU A 44 36.677 20.235 20.509 1.00 0.00 C ATOM 714 CG LEU A 44 36.874 18.987 21.387 1.00 0.00 C ATOM 715 CD1 LEU A 44 35.730 18.002 21.118 1.00 0.00 C ATOM 716 CD2 LEU A 44 38.227 18.311 21.073 1.00 0.00 C ATOM 0 H LEU A 44 36.493 21.469 22.638 1.00 0.00 H new ATOM 0 HA LEU A 44 38.678 20.901 20.944 1.00 0.00 H new ATOM 0 HB2 LEU A 44 35.658 20.607 20.617 1.00 0.00 H new ATOM 0 HB3 LEU A 44 36.812 19.975 19.459 1.00 0.00 H new ATOM 0 HG LEU A 44 36.872 19.284 22.436 1.00 0.00 H new ATOM 0 HD11 LEU A 44 35.862 17.114 21.736 1.00 0.00 H new ATOM 0 HD12 LEU A 44 34.778 18.475 21.360 1.00 0.00 H new ATOM 0 HD13 LEU A 44 35.736 17.716 20.066 1.00 0.00 H new ATOM 0 HD21 LEU A 44 38.349 17.430 21.704 1.00 0.00 H new ATOM 0 HD22 LEU A 44 38.250 18.013 20.025 1.00 0.00 H new ATOM 0 HD23 LEU A 44 39.038 19.012 21.269 1.00 0.00 H new ATOM 728 N ALA A 45 36.678 23.342 20.004 1.00 0.00 N ATOM 729 CA ALA A 45 36.550 24.458 19.075 1.00 0.00 C ATOM 730 C ALA A 45 37.795 25.339 19.118 1.00 0.00 C ATOM 731 O ALA A 45 38.269 25.812 18.086 1.00 0.00 O ATOM 732 CB ALA A 45 35.317 25.294 19.426 1.00 0.00 C ATOM 0 H ALA A 45 35.972 23.319 20.740 1.00 0.00 H new ATOM 0 HA ALA A 45 36.440 24.055 18.068 1.00 0.00 H new ATOM 0 HB1 ALA A 45 35.230 26.125 18.726 1.00 0.00 H new ATOM 0 HB2 ALA A 45 34.425 24.671 19.362 1.00 0.00 H new ATOM 0 HB3 ALA A 45 35.417 25.682 20.440 1.00 0.00 H new ATOM 738 N ASP A 46 38.318 25.556 20.320 1.00 0.00 N ATOM 739 CA ASP A 46 39.510 26.381 20.485 1.00 0.00 C ATOM 740 C ASP A 46 40.699 25.755 19.765 1.00 0.00 C ATOM 741 O ASP A 46 40.851 24.534 19.744 1.00 0.00 O ATOM 742 CB ASP A 46 39.835 26.537 21.972 1.00 0.00 C ATOM 743 CG ASP A 46 38.810 27.448 22.638 1.00 0.00 C ATOM 744 OD1 ASP A 46 38.068 28.099 21.921 1.00 0.00 O ATOM 745 OD2 ASP A 46 38.781 27.483 23.857 1.00 0.00 O1- ATOM 0 H ASP A 46 37.940 25.176 21.188 1.00 0.00 H new ATOM 0 HA ASP A 46 39.313 27.362 20.051 1.00 0.00 H new ATOM 0 HB2 ASP A 46 39.835 25.561 22.457 1.00 0.00 H new ATOM 0 HB3 ASP A 46 40.835 26.953 22.092 1.00 0.00 H new ATOM 750 N LYS A 47 41.540 26.599 19.176 1.00 0.00 N ATOM 751 CA LYS A 47 42.713 26.115 18.458 1.00 0.00 C ATOM 752 C LYS A 47 43.655 25.377 19.403 1.00 0.00 C ATOM 753 O LYS A 47 44.233 24.351 19.045 1.00 0.00 O ATOM 754 CB LYS A 47 43.450 27.288 17.812 1.00 0.00 C ATOM 755 CG LYS A 47 42.610 27.853 16.664 1.00 0.00 C ATOM 756 CD LYS A 47 43.347 29.028 16.020 1.00 0.00 C ATOM 757 CE LYS A 47 42.496 29.606 14.888 1.00 0.00 C ATOM 758 NZ LYS A 47 42.308 28.572 13.831 1.00 0.00 N1+ ATOM 0 H LYS A 47 41.433 27.613 19.181 1.00 0.00 H new ATOM 0 HA LYS A 47 42.381 25.424 17.683 1.00 0.00 H new ATOM 0 HB2 LYS A 47 43.640 28.064 18.553 1.00 0.00 H new ATOM 0 HB3 LYS A 47 44.420 26.960 17.439 1.00 0.00 H new ATOM 0 HG2 LYS A 47 42.422 27.077 15.922 1.00 0.00 H new ATOM 0 HG3 LYS A 47 41.639 28.180 17.037 1.00 0.00 H new ATOM 0 HD2 LYS A 47 43.550 29.797 16.766 1.00 0.00 H new ATOM 0 HD3 LYS A 47 44.311 28.698 15.632 1.00 0.00 H new ATOM 0 HE2 LYS A 47 41.528 29.928 15.274 1.00 0.00 H new ATOM 0 HE3 LYS A 47 42.981 30.487 14.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 41.990 29.028 12.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 43.209 28.082 13.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 41.593 27.884 14.142 1.00 0.00 H new ATOM 772 N GLN A 48 43.805 25.909 20.617 1.00 0.00 N ATOM 773 CA GLN A 48 44.681 25.302 21.623 1.00 0.00 C ATOM 774 C GLN A 48 43.957 25.197 22.961 1.00 0.00 C ATOM 775 O GLN A 48 43.113 26.030 23.287 1.00 0.00 O ATOM 776 CB GLN A 48 45.945 26.150 21.793 1.00 0.00 C ATOM 777 CG GLN A 48 46.687 26.257 20.456 1.00 0.00 C ATOM 778 CD GLN A 48 47.107 24.872 19.971 1.00 0.00 C ATOM 779 OE1 GLN A 48 46.672 24.427 18.911 1.00 0.00 O ATOM 780 NE2 GLN A 48 47.934 24.165 20.690 1.00 0.00 N ATOM 0 H GLN A 48 43.332 26.758 20.928 1.00 0.00 H new ATOM 0 HA GLN A 48 44.956 24.302 21.287 1.00 0.00 H new ATOM 0 HB2 GLN A 48 45.680 27.144 22.152 1.00 0.00 H new ATOM 0 HB3 GLN A 48 46.595 25.702 22.545 1.00 0.00 H new ATOM 0 HG2 GLN A 48 46.045 26.731 19.713 1.00 0.00 H new ATOM 0 HG3 GLN A 48 47.566 26.892 20.570 1.00 0.00 H new ATOM 0 HE21 GLN A 48 48.293 24.538 21.569 1.00 0.00 H new ATOM 0 HE22 GLN A 48 48.222 23.239 20.373 1.00 0.00 H new ATOM 789 N GLU A 49 44.295 24.170 23.733 1.00 0.00 N ATOM 790 CA GLU A 49 43.671 23.967 25.035 1.00 0.00 C ATOM 791 C GLU A 49 44.160 25.015 26.030 1.00 0.00 C ATOM 792 O GLU A 49 45.324 25.416 26.002 1.00 0.00 O ATOM 793 CB GLU A 49 44.000 22.569 25.561 1.00 0.00 C ATOM 794 CG GLU A 49 43.296 21.520 24.699 1.00 0.00 C ATOM 795 CD GLU A 49 43.713 20.120 25.138 1.00 0.00 C ATOM 796 OE1 GLU A 49 44.635 20.018 25.931 1.00 0.00 O ATOM 797 OE2 GLU A 49 43.105 19.170 24.674 1.00 0.00 O1- ATOM 0 H GLU A 49 44.993 23.470 23.482 1.00 0.00 H new ATOM 0 HA GLU A 49 42.592 24.065 24.920 1.00 0.00 H new ATOM 0 HB2 GLU A 49 45.078 22.406 25.543 1.00 0.00 H new ATOM 0 HB3 GLU A 49 43.681 22.475 26.599 1.00 0.00 H new ATOM 0 HG2 GLU A 49 42.215 21.631 24.787 1.00 0.00 H new ATOM 0 HG3 GLU A 49 43.548 21.671 23.649 1.00 0.00 H new ATOM 804 N HIS A 50 43.263 25.457 26.910 1.00 0.00 N ATOM 805 CA HIS A 50 43.609 26.461 27.914 1.00 0.00 C ATOM 806 C HIS A 50 42.779 26.261 29.179 1.00 0.00 C ATOM 807 O HIS A 50 41.564 26.075 29.113 1.00 0.00 O ATOM 808 CB HIS A 50 43.362 27.863 27.356 1.00 0.00 C ATOM 809 CG HIS A 50 43.723 28.888 28.396 1.00 0.00 C ATOM 810 ND1 HIS A 50 45.038 29.157 28.744 1.00 0.00 N ATOM 811 CD2 HIS A 50 42.954 29.717 29.175 1.00 0.00 C ATOM 812 CE1 HIS A 50 45.021 30.112 29.691 1.00 0.00 C ATOM 813 NE2 HIS A 50 43.776 30.489 29.991 1.00 0.00 N ATOM 0 H HIS A 50 42.295 25.137 26.948 1.00 0.00 H new ATOM 0 HA HIS A 50 44.664 26.350 28.164 1.00 0.00 H new ATOM 0 HB2 HIS A 50 43.957 28.018 26.456 1.00 0.00 H new ATOM 0 HB3 HIS A 50 42.316 27.973 27.070 1.00 0.00 H new ATOM 0 HD2 HIS A 50 41.875 29.763 29.157 1.00 0.00 H new ATOM 0 HE1 HIS A 50 45.906 30.524 30.152 1.00 0.00 H new ATOM 0 HE2 HIS A 50 43.489 31.192 30.672 1.00 0.00 H new ATOM 821 N LEU A 51 43.445 26.303 30.332 1.00 0.00 N ATOM 822 CA LEU A 51 42.768 26.128 31.619 1.00 0.00 C ATOM 823 C LEU A 51 42.504 27.491 32.263 1.00 0.00 C ATOM 824 O LEU A 51 42.643 28.526 31.613 1.00 0.00 O ATOM 825 CB LEU A 51 43.632 25.281 32.558 1.00 0.00 C ATOM 826 CG LEU A 51 43.940 23.923 31.912 1.00 0.00 C ATOM 827 CD1 LEU A 51 44.850 23.118 32.848 1.00 0.00 C ATOM 828 CD2 LEU A 51 42.635 23.145 31.666 1.00 0.00 C ATOM 0 H LEU A 51 44.451 26.456 30.403 1.00 0.00 H new ATOM 0 HA LEU A 51 41.819 25.620 31.447 1.00 0.00 H new ATOM 0 HB2 LEU A 51 44.561 25.805 32.781 1.00 0.00 H new ATOM 0 HB3 LEU A 51 43.114 25.132 33.506 1.00 0.00 H new ATOM 0 HG LEU A 51 44.439 24.083 30.956 1.00 0.00 H new ATOM 0 HD11 LEU A 51 45.073 22.152 32.396 1.00 0.00 H new ATOM 0 HD12 LEU A 51 45.778 23.665 33.012 1.00 0.00 H new ATOM 0 HD13 LEU A 51 44.346 22.964 33.802 1.00 0.00 H new ATOM 0 HD21 LEU A 51 42.866 22.183 31.207 1.00 0.00 H new ATOM 0 HD22 LEU A 51 42.125 22.981 32.615 1.00 0.00 H new ATOM 0 HD23 LEU A 51 41.989 23.719 31.001 1.00 0.00 H new ATOM 840 N ASP A 52 42.119 27.490 33.544 1.00 0.00 N ATOM 841 CA ASP A 52 41.842 28.739 34.249 1.00 0.00 C ATOM 842 C ASP A 52 43.126 29.321 34.832 1.00 0.00 C ATOM 843 O ASP A 52 43.101 30.344 35.517 1.00 0.00 O ATOM 844 CB ASP A 52 40.836 28.489 35.374 1.00 0.00 C ATOM 845 CG ASP A 52 41.448 27.580 36.435 1.00 0.00 C ATOM 846 OD1 ASP A 52 42.597 27.201 36.273 1.00 0.00 O ATOM 847 OD2 ASP A 52 40.759 27.273 37.394 1.00 0.00 O1- ATOM 0 H ASP A 52 41.994 26.647 34.105 1.00 0.00 H new ATOM 0 HA ASP A 52 41.424 29.452 33.538 1.00 0.00 H new ATOM 0 HB2 ASP A 52 40.539 29.437 35.824 1.00 0.00 H new ATOM 0 HB3 ASP A 52 39.933 28.032 34.969 1.00 0.00 H new ATOM 852 N GLY A 53 44.247 28.664 34.553 1.00 0.00 N ATOM 853 CA GLY A 53 45.537 29.124 35.053 1.00 0.00 C ATOM 854 C GLY A 53 46.664 28.221 34.555 1.00 0.00 C ATOM 855 O GLY A 53 46.420 27.261 33.823 1.00 0.00 O ATOM 0 H GLY A 53 44.289 27.817 33.987 1.00 0.00 H new ATOM 0 HA2 GLY A 53 45.714 30.149 34.726 1.00 0.00 H new ATOM 0 HA3 GLY A 53 45.527 29.134 36.143 1.00 0.00 H new ATOM 859 N ALA A 54 47.901 28.529 34.953 1.00 0.00 N ATOM 860 CA ALA A 54 49.051 27.730 34.533 1.00 0.00 C ATOM 861 C ALA A 54 50.164 27.808 35.574 1.00 0.00 C ATOM 862 O ALA A 54 50.272 28.788 36.311 1.00 0.00 O ATOM 863 CB ALA A 54 49.575 28.236 33.188 1.00 0.00 C ATOM 0 H ALA A 54 48.129 29.317 35.559 1.00 0.00 H new ATOM 0 HA ALA A 54 48.732 26.693 34.432 1.00 0.00 H new ATOM 0 HB1 ALA A 54 50.432 27.636 32.882 1.00 0.00 H new ATOM 0 HB2 ALA A 54 48.789 28.155 32.437 1.00 0.00 H new ATOM 0 HB3 ALA A 54 49.879 29.278 33.285 1.00 0.00 H new ATOM 869 N LEU A 55 50.989 26.767 35.630 1.00 0.00 N ATOM 870 CA LEU A 55 52.090 26.728 36.584 1.00 0.00 C ATOM 871 C LEU A 55 53.075 27.859 36.306 1.00 0.00 C ATOM 872 O LEU A 55 53.598 28.481 37.230 1.00 0.00 O ATOM 873 CB LEU A 55 52.817 25.383 36.489 1.00 0.00 C ATOM 874 CG LEU A 55 51.915 24.253 37.008 1.00 0.00 C ATOM 875 CD1 LEU A 55 52.572 22.906 36.692 1.00 0.00 C ATOM 876 CD2 LEU A 55 51.702 24.383 38.532 1.00 0.00 C ATOM 0 H LEU A 55 50.917 25.945 35.030 1.00 0.00 H new ATOM 0 HA LEU A 55 51.683 26.851 37.588 1.00 0.00 H new ATOM 0 HB2 LEU A 55 53.099 25.186 35.455 1.00 0.00 H new ATOM 0 HB3 LEU A 55 53.739 25.418 37.070 1.00 0.00 H new ATOM 0 HG LEU A 55 50.943 24.319 36.518 1.00 0.00 H new ATOM 0 HD11 LEU A 55 51.938 22.098 37.057 1.00 0.00 H new ATOM 0 HD12 LEU A 55 52.701 22.808 35.614 1.00 0.00 H new ATOM 0 HD13 LEU A 55 53.545 22.853 37.180 1.00 0.00 H new ATOM 0 HD21 LEU A 55 51.060 23.573 38.880 1.00 0.00 H new ATOM 0 HD22 LEU A 55 52.665 24.327 39.040 1.00 0.00 H new ATOM 0 HD23 LEU A 55 51.230 25.340 38.753 1.00 0.00 H new ATOM 888 N ARG A 56 53.324 28.117 35.026 1.00 0.00 N ATOM 889 CA ARG A 56 54.250 29.175 34.637 1.00 0.00 C ATOM 890 C ARG A 56 53.650 30.546 34.932 1.00 0.00 C ATOM 891 O ARG A 56 52.444 30.749 34.797 1.00 0.00 O ATOM 892 CB ARG A 56 54.568 29.067 33.144 1.00 0.00 C ATOM 893 CG ARG A 56 55.348 27.778 32.880 1.00 0.00 C ATOM 894 CD ARG A 56 55.556 27.606 31.375 1.00 0.00 C ATOM 895 NE ARG A 56 56.387 28.684 30.854 1.00 0.00 N ATOM 896 CZ ARG A 56 56.580 28.834 29.546 1.00 0.00 C ATOM 897 NH1 ARG A 56 57.328 29.806 29.104 1.00 0.00 N1+ ATOM 898 NH2 ARG A 56 56.020 28.007 28.706 1.00 0.00 N ATOM 0 H ARG A 56 52.902 27.613 34.246 1.00 0.00 H new ATOM 0 HA ARG A 56 55.168 29.060 35.214 1.00 0.00 H new ATOM 0 HB2 ARG A 56 53.645 29.072 32.564 1.00 0.00 H new ATOM 0 HB3 ARG A 56 55.151 29.930 32.822 1.00 0.00 H new ATOM 0 HG2 ARG A 56 56.311 27.813 33.389 1.00 0.00 H new ATOM 0 HG3 ARG A 56 54.805 26.923 33.283 1.00 0.00 H new ATOM 0 HD2 ARG A 56 56.027 26.644 31.174 1.00 0.00 H new ATOM 0 HD3 ARG A 56 54.592 27.602 30.866 1.00 0.00 H new ATOM 0 HE ARG A 56 56.828 29.335 31.503 1.00 0.00 H new ATOM 0 HH11 ARG A 56 57.766 30.452 29.761 1.00 0.00 H new ATOM 0 HH12 ARG A 56 57.476 29.920 28.101 1.00 0.00 H new ATOM 0 HH21 ARG A 56 55.435 27.247 29.052 1.00 0.00 H new ATOM 0 HH22 ARG A 56 56.167 28.121 27.703 1.00 0.00 H new ATOM 912 N TYR A 57 54.501 31.485 35.338 1.00 0.00 N ATOM 913 CA TYR A 57 54.043 32.833 35.650 1.00 0.00 C ATOM 914 C TYR A 57 53.805 33.628 34.371 1.00 0.00 C ATOM 915 O TYR A 57 53.394 33.027 33.391 1.00 0.00 O ATOM 916 CB TYR A 57 55.083 33.550 36.512 1.00 0.00 C ATOM 917 CG TYR A 57 55.252 32.810 37.818 1.00 0.00 C ATOM 918 CD1 TYR A 57 56.243 31.828 37.942 1.00 0.00 C ATOM 919 CD2 TYR A 57 54.418 33.105 38.904 1.00 0.00 C ATOM 920 CE1 TYR A 57 56.398 31.141 39.153 1.00 0.00 C ATOM 921 CE2 TYR A 57 54.575 32.418 40.112 1.00 0.00 C ATOM 922 CZ TYR A 57 55.565 31.437 40.238 1.00 0.00 C ATOM 923 OH TYR A 57 55.719 30.760 41.431 1.00 0.00 O ATOM 924 OXT TYR A 57 54.039 34.826 34.389 1.00 0.00 O ATOM 0 H TYR A 57 55.503 31.338 35.457 1.00 0.00 H new ATOM 0 HA TYR A 57 53.104 32.760 36.198 1.00 0.00 H new ATOM 0 HB2 TYR A 57 56.036 33.601 35.985 1.00 0.00 H new ATOM 0 HB3 TYR A 57 54.769 34.576 36.701 1.00 0.00 H new ATOM 0 HD1 TYR A 57 56.887 31.601 37.105 1.00 0.00 H new ATOM 0 HD2 TYR A 57 53.654 33.863 38.809 1.00 0.00 H new ATOM 0 HE1 TYR A 57 57.161 30.383 39.249 1.00 0.00 H new ATOM 0 HE2 TYR A 57 53.931 32.645 40.949 1.00 0.00 H new ATOM 0 HH TYR A 57 55.062 31.087 42.080 1.00 0.00 H new TER 934 TYR A 57