USER MOD reduce.3.24.130724 H: found=0, std=0, add=463, rem=0, adj=9 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+ -167:sc= 0 (180deg=-0.163) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= -4.12! C(o=-4.1!,f=-7.1!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.133) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=-0.0023) USER MOD Single : A 28 HIS : no HD1:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 30 HIS : no HD1:sc= -0.131 K(o=-0.13,f=-0.74) USER MOD Single : A 32 LYS NZ :NH3+ -135:sc= 0.11 (180deg=-0.492) USER MOD Single : A 38 LYS NZ :NH3+ -161:sc= -0.0542 (180deg=-0.51) USER MOD Single : A 43 LYS NZ :NH3+ -162:sc= -0.0421 (180deg=-0.523) USER MOD Single : A 47 LYS NZ :NH3+ -157:sc= -0.182 (180deg=-0.915) USER MOD Single : A 48 GLN :FLIP amide:sc= -4.92! C(o=-6.1!,f=-4.9!) USER MOD Single : A 50 HIS : no HD1:sc= 0.199 K(o=0.2,f=-1.4) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -7.191 -17.675 44.703 1.00 0.00 N ATOM 2 CA GLY A 1 -7.045 -16.599 43.682 1.00 0.00 C ATOM 3 C GLY A 1 -6.309 -15.412 44.295 1.00 0.00 C ATOM 4 O GLY A 1 -5.458 -14.797 43.653 1.00 0.00 O ATOM 0 H1 GLY A 1 -7.488 -18.557 44.238 1.00 0.00 H new ATOM 0 H2 GLY A 1 -6.280 -17.826 45.181 1.00 0.00 H new ATOM 0 H3 GLY A 1 -7.907 -17.394 45.403 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -6.496 -16.974 42.819 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -8.026 -16.287 43.324 1.00 0.00 H new ATOM 10 N SER A 2 -6.645 -15.096 45.541 1.00 0.00 N ATOM 11 CA SER A 2 -6.009 -13.979 46.232 1.00 0.00 C ATOM 12 C SER A 2 -4.511 -14.223 46.381 1.00 0.00 C ATOM 13 O SER A 2 -3.704 -13.307 46.222 1.00 0.00 O ATOM 14 CB SER A 2 -6.637 -13.794 47.615 1.00 0.00 C ATOM 15 OG SER A 2 -7.993 -13.395 47.465 1.00 0.00 O ATOM 0 H SER A 2 -7.347 -15.592 46.090 1.00 0.00 H new ATOM 0 HA SER A 2 -6.162 -13.077 45.640 1.00 0.00 H new ATOM 0 HB2 SER A 2 -6.580 -14.724 48.180 1.00 0.00 H new ATOM 0 HB3 SER A 2 -6.085 -13.043 48.180 1.00 0.00 H new ATOM 0 HG SER A 2 -8.399 -13.277 48.349 1.00 0.00 H new ATOM 21 N ALA A 3 -4.147 -15.464 46.688 1.00 0.00 N ATOM 22 CA ALA A 3 -2.742 -15.816 46.855 1.00 0.00 C ATOM 23 C ALA A 3 -1.971 -15.579 45.561 1.00 0.00 C ATOM 24 O ALA A 3 -0.835 -15.102 45.582 1.00 0.00 O ATOM 25 CB ALA A 3 -2.618 -17.287 47.262 1.00 0.00 C ATOM 0 H ALA A 3 -4.799 -16.236 46.825 1.00 0.00 H new ATOM 0 HA ALA A 3 -2.320 -15.184 47.636 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -1.566 -17.543 47.385 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -3.143 -17.450 48.203 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -3.057 -17.917 46.488 1.00 0.00 H new ATOM 31 N GLY A 4 -2.595 -15.914 44.436 1.00 0.00 N ATOM 32 CA GLY A 4 -1.957 -15.732 43.139 1.00 0.00 C ATOM 33 C GLY A 4 -0.651 -16.514 43.059 1.00 0.00 C ATOM 34 O GLY A 4 -0.605 -17.698 43.394 1.00 0.00 O ATOM 0 H GLY A 4 -3.534 -16.310 44.397 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -2.631 -16.061 42.348 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -1.762 -14.673 42.971 1.00 0.00 H new ATOM 38 N LEU A 5 0.413 -15.844 42.614 1.00 0.00 N ATOM 39 CA LEU A 5 1.727 -16.478 42.490 1.00 0.00 C ATOM 40 C LEU A 5 2.684 -15.923 43.540 1.00 0.00 C ATOM 41 O LEU A 5 2.693 -14.723 43.814 1.00 0.00 O ATOM 42 CB LEU A 5 2.302 -16.217 41.096 1.00 0.00 C ATOM 43 CG LEU A 5 1.339 -16.745 40.025 1.00 0.00 C ATOM 44 CD1 LEU A 5 1.899 -16.411 38.639 1.00 0.00 C ATOM 45 CD2 LEU A 5 1.177 -18.271 40.164 1.00 0.00 C ATOM 0 H LEU A 5 0.391 -14.864 42.334 1.00 0.00 H new ATOM 0 HA LEU A 5 1.610 -17.551 42.643 1.00 0.00 H new ATOM 0 HB2 LEU A 5 2.466 -15.149 40.955 1.00 0.00 H new ATOM 0 HB3 LEU A 5 3.272 -16.704 40.997 1.00 0.00 H new ATOM 0 HG LEU A 5 0.364 -16.275 40.153 1.00 0.00 H new ATOM 0 HD11 LEU A 5 1.219 -16.784 37.873 1.00 0.00 H new ATOM 0 HD12 LEU A 5 2.002 -15.330 38.539 1.00 0.00 H new ATOM 0 HD13 LEU A 5 2.875 -16.881 38.518 1.00 0.00 H new ATOM 0 HD21 LEU A 5 0.491 -18.635 39.399 1.00 0.00 H new ATOM 0 HD22 LEU A 5 2.147 -18.753 40.041 1.00 0.00 H new ATOM 0 HD23 LEU A 5 0.778 -18.506 41.151 1.00 0.00 H new ATOM 57 N GLN A 6 3.488 -16.806 44.122 1.00 0.00 N ATOM 58 CA GLN A 6 4.448 -16.395 45.141 1.00 0.00 C ATOM 59 C GLN A 6 5.440 -17.518 45.425 1.00 0.00 C ATOM 60 O GLN A 6 6.197 -17.461 46.394 1.00 0.00 O ATOM 61 CB GLN A 6 3.717 -16.012 46.431 1.00 0.00 C ATOM 62 CG GLN A 6 2.886 -17.200 46.938 1.00 0.00 C ATOM 63 CD GLN A 6 3.780 -18.195 47.672 1.00 0.00 C ATOM 64 OE1 GLN A 6 4.786 -17.806 48.266 1.00 0.00 O ATOM 65 NE2 GLN A 6 3.472 -19.462 47.664 1.00 0.00 N ATOM 0 H GLN A 6 3.495 -17.803 43.908 1.00 0.00 H new ATOM 0 HA GLN A 6 4.995 -15.529 44.769 1.00 0.00 H new ATOM 0 HB2 GLN A 6 4.438 -15.711 47.191 1.00 0.00 H new ATOM 0 HB3 GLN A 6 3.068 -15.155 46.250 1.00 0.00 H new ATOM 0 HG2 GLN A 6 2.101 -16.845 47.605 1.00 0.00 H new ATOM 0 HG3 GLN A 6 2.393 -17.693 46.100 1.00 0.00 H new ATOM 0 HE21 GLN A 6 2.638 -19.781 47.171 1.00 0.00 H new ATOM 0 HE22 GLN A 6 4.065 -20.134 48.151 1.00 0.00 H new ATOM 74 N GLU A 7 5.434 -18.537 44.570 1.00 0.00 N ATOM 75 CA GLU A 7 6.345 -19.666 44.740 1.00 0.00 C ATOM 76 C GLU A 7 7.794 -19.212 44.608 1.00 0.00 C ATOM 77 O GLU A 7 8.668 -19.669 45.347 1.00 0.00 O ATOM 78 CB GLU A 7 6.048 -20.754 43.701 1.00 0.00 C ATOM 79 CG GLU A 7 4.727 -21.454 44.039 1.00 0.00 C ATOM 80 CD GLU A 7 4.331 -22.391 42.903 1.00 0.00 C ATOM 81 OE1 GLU A 7 4.914 -22.278 41.837 1.00 0.00 O ATOM 82 OE2 GLU A 7 3.450 -23.208 43.116 1.00 0.00 O1- ATOM 0 H GLU A 7 4.816 -18.605 43.761 1.00 0.00 H new ATOM 0 HA GLU A 7 6.194 -20.076 45.739 1.00 0.00 H new ATOM 0 HB2 GLU A 7 5.991 -20.313 42.706 1.00 0.00 H new ATOM 0 HB3 GLU A 7 6.860 -21.481 43.681 1.00 0.00 H new ATOM 0 HG2 GLU A 7 4.830 -22.017 44.967 1.00 0.00 H new ATOM 0 HG3 GLU A 7 3.944 -20.713 44.201 1.00 0.00 H new ATOM 89 N LYS A 8 8.045 -18.309 43.665 1.00 0.00 N ATOM 90 CA LYS A 8 9.397 -17.800 43.452 1.00 0.00 C ATOM 91 C LYS A 8 9.767 -16.793 44.536 1.00 0.00 C ATOM 92 O LYS A 8 8.946 -15.970 44.938 1.00 0.00 O ATOM 93 CB LYS A 8 9.500 -17.135 42.075 1.00 0.00 C ATOM 94 CG LYS A 8 9.390 -18.197 40.978 1.00 0.00 C ATOM 95 CD LYS A 8 9.494 -17.525 39.607 1.00 0.00 C ATOM 96 CE LYS A 8 9.389 -18.586 38.508 1.00 0.00 C ATOM 97 NZ LYS A 8 9.483 -17.929 37.173 1.00 0.00 N1+ ATOM 0 H LYS A 8 7.339 -17.918 43.042 1.00 0.00 H new ATOM 0 HA LYS A 8 10.091 -18.639 43.499 1.00 0.00 H new ATOM 0 HB2 LYS A 8 8.709 -16.395 41.958 1.00 0.00 H new ATOM 0 HB3 LYS A 8 10.448 -16.605 41.987 1.00 0.00 H new ATOM 0 HG2 LYS A 8 10.181 -18.938 41.093 1.00 0.00 H new ATOM 0 HG3 LYS A 8 8.442 -18.728 41.064 1.00 0.00 H new ATOM 0 HD2 LYS A 8 8.701 -16.787 39.491 1.00 0.00 H new ATOM 0 HD3 LYS A 8 10.441 -16.991 39.523 1.00 0.00 H new ATOM 0 HE2 LYS A 8 10.186 -19.321 38.620 1.00 0.00 H new ATOM 0 HE3 LYS A 8 8.445 -19.123 38.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 9.412 -18.649 36.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 8.708 -17.243 37.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 10.395 -17.436 37.092 1.00 0.00 H new ATOM 111 N GLU A 9 11.014 -16.864 45.007 1.00 0.00 N ATOM 112 CA GLU A 9 11.499 -15.954 46.050 1.00 0.00 C ATOM 113 C GLU A 9 12.773 -15.250 45.587 1.00 0.00 C ATOM 114 O GLU A 9 12.911 -14.036 45.735 1.00 0.00 O ATOM 115 CB GLU A 9 11.780 -16.748 47.334 1.00 0.00 C ATOM 116 CG GLU A 9 12.259 -15.811 48.450 1.00 0.00 C ATOM 117 CD GLU A 9 11.170 -14.801 48.795 1.00 0.00 C ATOM 118 OE1 GLU A 9 10.020 -15.071 48.492 1.00 0.00 O ATOM 119 OE2 GLU A 9 11.502 -13.771 49.358 1.00 0.00 O1- ATOM 0 H GLU A 9 11.706 -17.540 44.684 1.00 0.00 H new ATOM 0 HA GLU A 9 10.736 -15.202 46.248 1.00 0.00 H new ATOM 0 HB2 GLU A 9 10.877 -17.269 47.651 1.00 0.00 H new ATOM 0 HB3 GLU A 9 12.536 -17.509 47.140 1.00 0.00 H new ATOM 0 HG2 GLU A 9 12.520 -16.392 49.335 1.00 0.00 H new ATOM 0 HG3 GLU A 9 13.162 -15.289 48.134 1.00 0.00 H new ATOM 126 N ARG A 10 13.701 -16.023 45.034 1.00 0.00 N ATOM 127 CA ARG A 10 14.965 -15.468 44.560 1.00 0.00 C ATOM 128 C ARG A 10 14.723 -14.433 43.465 1.00 0.00 C ATOM 129 O ARG A 10 15.334 -13.365 43.463 1.00 0.00 O ATOM 130 CB ARG A 10 15.855 -16.593 44.021 1.00 0.00 C ATOM 131 CG ARG A 10 17.198 -16.018 43.562 1.00 0.00 C ATOM 132 CD ARG A 10 18.116 -17.159 43.120 1.00 0.00 C ATOM 133 NE ARG A 10 17.537 -17.860 41.979 1.00 0.00 N ATOM 134 CZ ARG A 10 17.667 -17.388 40.744 1.00 0.00 C ATOM 135 NH1 ARG A 10 17.138 -18.033 39.740 1.00 0.00 N1+ ATOM 136 NH2 ARG A 10 18.320 -16.278 40.534 1.00 0.00 N ATOM 0 H ARG A 10 13.604 -17.030 44.903 1.00 0.00 H new ATOM 0 HA ARG A 10 15.464 -14.978 45.396 1.00 0.00 H new ATOM 0 HB2 ARG A 10 16.016 -17.344 44.795 1.00 0.00 H new ATOM 0 HB3 ARG A 10 15.360 -17.094 43.189 1.00 0.00 H new ATOM 0 HG2 ARG A 10 17.045 -15.320 42.739 1.00 0.00 H new ATOM 0 HG3 ARG A 10 17.662 -15.457 44.373 1.00 0.00 H new ATOM 0 HD2 ARG A 10 19.096 -16.764 42.854 1.00 0.00 H new ATOM 0 HD3 ARG A 10 18.266 -17.855 43.945 1.00 0.00 H new ATOM 0 HE ARG A 10 17.023 -18.728 42.132 1.00 0.00 H new ATOM 0 HH11 ARG A 10 16.625 -18.899 39.904 1.00 0.00 H new ATOM 0 HH12 ARG A 10 17.238 -17.671 38.792 1.00 0.00 H new ATOM 0 HH21 ARG A 10 18.731 -15.772 41.318 1.00 0.00 H new ATOM 0 HH22 ARG A 10 18.419 -15.916 39.585 1.00 0.00 H new ATOM 150 N GLU A 11 13.832 -14.758 42.533 1.00 0.00 N ATOM 151 CA GLU A 11 13.525 -13.846 41.437 1.00 0.00 C ATOM 152 C GLU A 11 12.925 -12.548 41.969 1.00 0.00 C ATOM 153 O GLU A 11 13.235 -11.464 41.476 1.00 0.00 O ATOM 154 CB GLU A 11 12.540 -14.507 40.465 1.00 0.00 C ATOM 155 CG GLU A 11 13.229 -15.650 39.702 1.00 0.00 C ATOM 156 CD GLU A 11 13.297 -16.906 40.566 1.00 0.00 C ATOM 157 OE1 GLU A 11 12.765 -16.879 41.664 1.00 0.00 O ATOM 158 OE2 GLU A 11 13.880 -17.879 40.117 1.00 0.00 O1- ATOM 0 H GLU A 11 13.315 -15.637 42.514 1.00 0.00 H new ATOM 0 HA GLU A 11 14.452 -13.615 40.913 1.00 0.00 H new ATOM 0 HB2 GLU A 11 11.681 -14.893 41.014 1.00 0.00 H new ATOM 0 HB3 GLU A 11 12.162 -13.766 39.760 1.00 0.00 H new ATOM 0 HG2 GLU A 11 12.682 -15.863 38.783 1.00 0.00 H new ATOM 0 HG3 GLU A 11 14.235 -15.347 39.412 1.00 0.00 H new ATOM 165 N LEU A 12 12.066 -12.664 42.977 1.00 0.00 N ATOM 166 CA LEU A 12 11.434 -11.488 43.563 1.00 0.00 C ATOM 167 C LEU A 12 12.486 -10.576 44.187 1.00 0.00 C ATOM 168 O LEU A 12 12.405 -9.351 44.077 1.00 0.00 O ATOM 169 CB LEU A 12 10.427 -11.909 44.638 1.00 0.00 C ATOM 170 CG LEU A 12 9.225 -12.617 43.992 1.00 0.00 C ATOM 171 CD1 LEU A 12 8.340 -13.207 45.097 1.00 0.00 C ATOM 172 CD2 LEU A 12 8.403 -11.624 43.143 1.00 0.00 C ATOM 0 H LEU A 12 11.794 -13.551 43.401 1.00 0.00 H new ATOM 0 HA LEU A 12 10.914 -10.948 42.772 1.00 0.00 H new ATOM 0 HB2 LEU A 12 10.907 -12.574 45.356 1.00 0.00 H new ATOM 0 HB3 LEU A 12 10.088 -11.034 45.192 1.00 0.00 H new ATOM 0 HG LEU A 12 9.587 -13.412 43.339 1.00 0.00 H new ATOM 0 HD11 LEU A 12 7.485 -13.711 44.648 1.00 0.00 H new ATOM 0 HD12 LEU A 12 8.917 -13.923 45.682 1.00 0.00 H new ATOM 0 HD13 LEU A 12 7.988 -12.406 45.748 1.00 0.00 H new ATOM 0 HD21 LEU A 12 7.556 -12.143 42.694 1.00 0.00 H new ATOM 0 HD22 LEU A 12 8.038 -10.817 43.779 1.00 0.00 H new ATOM 0 HD23 LEU A 12 9.033 -11.209 42.356 1.00 0.00 H new ATOM 184 N GLU A 13 13.477 -11.179 44.835 1.00 0.00 N ATOM 185 CA GLU A 13 14.546 -10.410 45.465 1.00 0.00 C ATOM 186 C GLU A 13 15.346 -9.646 44.416 1.00 0.00 C ATOM 187 O GLU A 13 15.737 -8.499 44.632 1.00 0.00 O ATOM 188 CB GLU A 13 15.479 -11.331 46.257 1.00 0.00 C ATOM 189 CG GLU A 13 14.763 -11.861 47.505 1.00 0.00 C ATOM 190 CD GLU A 13 14.551 -10.729 48.503 1.00 0.00 C ATOM 191 OE1 GLU A 13 15.206 -9.710 48.362 1.00 0.00 O ATOM 192 OE2 GLU A 13 13.737 -10.899 49.396 1.00 0.00 O1- ATOM 0 H GLU A 13 13.563 -12.190 44.938 1.00 0.00 H new ATOM 0 HA GLU A 13 14.089 -9.697 46.151 1.00 0.00 H new ATOM 0 HB2 GLU A 13 15.798 -12.164 45.630 1.00 0.00 H new ATOM 0 HB3 GLU A 13 16.378 -10.788 46.547 1.00 0.00 H new ATOM 0 HG2 GLU A 13 13.803 -12.296 47.227 1.00 0.00 H new ATOM 0 HG3 GLU A 13 15.352 -12.655 47.963 1.00 0.00 H new ATOM 199 N ASP A 14 15.586 -10.290 43.277 1.00 0.00 N ATOM 200 CA ASP A 14 16.344 -9.661 42.201 1.00 0.00 C ATOM 201 C ASP A 14 15.630 -8.406 41.707 1.00 0.00 C ATOM 202 O ASP A 14 16.258 -7.372 41.480 1.00 0.00 O ATOM 203 CB ASP A 14 16.515 -10.642 41.041 1.00 0.00 C ATOM 204 CG ASP A 14 17.379 -10.017 39.951 1.00 0.00 C ATOM 205 OD1 ASP A 14 17.672 -8.838 40.060 1.00 0.00 O ATOM 206 OD2 ASP A 14 17.734 -10.725 39.024 1.00 0.00 O1- ATOM 0 H ASP A 14 15.270 -11.239 43.077 1.00 0.00 H new ATOM 0 HA ASP A 14 17.324 -9.381 42.587 1.00 0.00 H new ATOM 0 HB2 ASP A 14 16.976 -11.563 41.398 1.00 0.00 H new ATOM 0 HB3 ASP A 14 15.540 -10.910 40.634 1.00 0.00 H new ATOM 211 N LEU A 15 14.314 -8.505 41.542 1.00 0.00 N ATOM 212 CA LEU A 15 13.526 -7.370 41.074 1.00 0.00 C ATOM 213 C LEU A 15 13.600 -6.222 42.075 1.00 0.00 C ATOM 214 O LEU A 15 13.689 -5.056 41.692 1.00 0.00 O ATOM 215 CB LEU A 15 12.065 -7.790 40.886 1.00 0.00 C ATOM 216 CG LEU A 15 11.939 -8.763 39.705 1.00 0.00 C ATOM 217 CD1 LEU A 15 10.518 -9.338 39.681 1.00 0.00 C ATOM 218 CD2 LEU A 15 12.229 -8.041 38.370 1.00 0.00 C ATOM 0 H LEU A 15 13.775 -9.352 41.724 1.00 0.00 H new ATOM 0 HA LEU A 15 13.934 -7.036 40.120 1.00 0.00 H new ATOM 0 HB2 LEU A 15 11.695 -8.262 41.796 1.00 0.00 H new ATOM 0 HB3 LEU A 15 11.446 -6.910 40.709 1.00 0.00 H new ATOM 0 HG LEU A 15 12.666 -9.566 39.827 1.00 0.00 H new ATOM 0 HD11 LEU A 15 10.420 -10.030 38.845 1.00 0.00 H new ATOM 0 HD12 LEU A 15 10.323 -9.866 40.614 1.00 0.00 H new ATOM 0 HD13 LEU A 15 9.799 -8.527 39.567 1.00 0.00 H new ATOM 0 HD21 LEU A 15 12.134 -8.748 37.546 1.00 0.00 H new ATOM 0 HD22 LEU A 15 11.516 -7.228 38.234 1.00 0.00 H new ATOM 0 HD23 LEU A 15 13.241 -7.637 38.387 1.00 0.00 H new ATOM 230 N LYS A 16 13.563 -6.561 43.359 1.00 0.00 N ATOM 231 CA LYS A 16 13.626 -5.551 44.410 1.00 0.00 C ATOM 232 C LYS A 16 14.932 -4.768 44.316 1.00 0.00 C ATOM 233 O LYS A 16 14.943 -3.543 44.428 1.00 0.00 O ATOM 234 CB LYS A 16 13.511 -6.225 45.784 1.00 0.00 C ATOM 235 CG LYS A 16 13.600 -5.187 46.916 1.00 0.00 C ATOM 236 CD LYS A 16 12.463 -4.162 46.792 1.00 0.00 C ATOM 237 CE LYS A 16 12.248 -3.463 48.138 1.00 0.00 C ATOM 238 NZ LYS A 16 13.494 -2.743 48.528 1.00 0.00 N1+ ATOM 0 H LYS A 16 13.490 -7.521 43.696 1.00 0.00 H new ATOM 0 HA LYS A 16 12.796 -4.856 44.283 1.00 0.00 H new ATOM 0 HB2 LYS A 16 12.565 -6.762 45.852 1.00 0.00 H new ATOM 0 HB3 LYS A 16 14.305 -6.963 45.899 1.00 0.00 H new ATOM 0 HG2 LYS A 16 13.543 -5.688 47.883 1.00 0.00 H new ATOM 0 HG3 LYS A 16 14.563 -4.678 46.877 1.00 0.00 H new ATOM 0 HD2 LYS A 16 12.705 -3.427 46.024 1.00 0.00 H new ATOM 0 HD3 LYS A 16 11.545 -4.659 46.479 1.00 0.00 H new ATOM 0 HE2 LYS A 16 11.417 -2.761 48.067 1.00 0.00 H new ATOM 0 HE3 LYS A 16 11.984 -4.194 48.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 13.293 -2.108 49.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 14.220 -3.433 48.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 13.840 -2.185 47.721 1.00 0.00 H new ATOM 252 N ASP A 17 16.032 -5.486 44.113 1.00 0.00 N ATOM 253 CA ASP A 17 17.340 -4.849 44.007 1.00 0.00 C ATOM 254 C ASP A 17 17.375 -3.883 42.828 1.00 0.00 C ATOM 255 O ASP A 17 17.901 -2.775 42.935 1.00 0.00 O ATOM 256 CB ASP A 17 18.427 -5.913 43.829 1.00 0.00 C ATOM 257 CG ASP A 17 19.802 -5.255 43.808 1.00 0.00 C ATOM 258 OD1 ASP A 17 19.854 -4.037 43.778 1.00 0.00 O ATOM 259 OD2 ASP A 17 20.783 -5.979 43.823 1.00 0.00 O1- ATOM 0 H ASP A 17 16.045 -6.502 44.019 1.00 0.00 H new ATOM 0 HA ASP A 17 17.524 -4.290 44.924 1.00 0.00 H new ATOM 0 HB2 ASP A 17 18.374 -6.638 44.641 1.00 0.00 H new ATOM 0 HB3 ASP A 17 18.263 -6.461 42.901 1.00 0.00 H new ATOM 264 N ALA A 18 16.814 -4.311 41.701 1.00 0.00 N ATOM 265 CA ALA A 18 16.788 -3.474 40.506 1.00 0.00 C ATOM 266 C ALA A 18 16.015 -2.185 40.768 1.00 0.00 C ATOM 267 O ALA A 18 16.410 -1.111 40.317 1.00 0.00 O ATOM 268 CB ALA A 18 16.137 -4.235 39.350 1.00 0.00 C ATOM 0 H ALA A 18 16.375 -5.225 41.590 1.00 0.00 H new ATOM 0 HA ALA A 18 17.815 -3.220 40.242 1.00 0.00 H new ATOM 0 HB1 ALA A 18 16.121 -3.604 38.462 1.00 0.00 H new ATOM 0 HB2 ALA A 18 16.709 -5.140 39.142 1.00 0.00 H new ATOM 0 HB3 ALA A 18 15.116 -4.505 39.621 1.00 0.00 H new ATOM 274 N GLU A 19 14.911 -2.300 41.500 1.00 0.00 N ATOM 275 CA GLU A 19 14.091 -1.135 41.815 1.00 0.00 C ATOM 276 C GLU A 19 14.881 -0.133 42.649 1.00 0.00 C ATOM 277 O GLU A 19 14.774 1.077 42.450 1.00 0.00 O ATOM 278 CB GLU A 19 12.841 -1.568 42.584 1.00 0.00 C ATOM 279 CG GLU A 19 11.902 -2.328 41.645 1.00 0.00 C ATOM 280 CD GLU A 19 10.741 -2.920 42.436 1.00 0.00 C ATOM 281 OE1 GLU A 19 10.822 -2.927 43.654 1.00 0.00 O ATOM 282 OE2 GLU A 19 9.788 -3.358 41.814 1.00 0.00 O1- ATOM 0 H GLU A 19 14.566 -3.180 41.883 1.00 0.00 H new ATOM 0 HA GLU A 19 13.796 -0.659 40.880 1.00 0.00 H new ATOM 0 HB2 GLU A 19 13.120 -2.201 43.427 1.00 0.00 H new ATOM 0 HB3 GLU A 19 12.333 -0.695 42.995 1.00 0.00 H new ATOM 0 HG2 GLU A 19 11.523 -1.657 40.875 1.00 0.00 H new ATOM 0 HG3 GLU A 19 12.448 -3.122 41.135 1.00 0.00 H new ATOM 289 N LEU A 20 15.678 -0.644 43.583 1.00 0.00 N ATOM 290 CA LEU A 20 16.482 0.219 44.441 1.00 0.00 C ATOM 291 C LEU A 20 17.461 1.035 43.602 1.00 0.00 C ATOM 292 O LEU A 20 17.624 2.236 43.814 1.00 0.00 O ATOM 293 CB LEU A 20 17.248 -0.636 45.462 1.00 0.00 C ATOM 294 CG LEU A 20 18.115 0.250 46.370 1.00 0.00 C ATOM 295 CD1 LEU A 20 17.233 1.246 47.141 1.00 0.00 C ATOM 296 CD2 LEU A 20 18.867 -0.646 47.361 1.00 0.00 C ATOM 0 H LEU A 20 15.784 -1.642 43.764 1.00 0.00 H new ATOM 0 HA LEU A 20 15.822 0.906 44.971 1.00 0.00 H new ATOM 0 HB2 LEU A 20 16.544 -1.207 46.067 1.00 0.00 H new ATOM 0 HB3 LEU A 20 17.877 -1.357 44.941 1.00 0.00 H new ATOM 0 HG LEU A 20 18.823 0.812 45.761 1.00 0.00 H new ATOM 0 HD11 LEU A 20 17.860 1.868 47.781 1.00 0.00 H new ATOM 0 HD12 LEU A 20 16.695 1.878 46.435 1.00 0.00 H new ATOM 0 HD13 LEU A 20 16.518 0.699 47.755 1.00 0.00 H new ATOM 0 HD21 LEU A 20 19.487 -0.029 48.012 1.00 0.00 H new ATOM 0 HD22 LEU A 20 18.150 -1.203 47.964 1.00 0.00 H new ATOM 0 HD23 LEU A 20 19.500 -1.344 46.813 1.00 0.00 H new ATOM 308 N LYS A 21 18.109 0.374 42.649 1.00 0.00 N ATOM 309 CA LYS A 21 19.070 1.048 41.784 1.00 0.00 C ATOM 310 C LYS A 21 18.381 2.156 40.993 1.00 0.00 C ATOM 311 O LYS A 21 18.913 3.257 40.856 1.00 0.00 O ATOM 312 CB LYS A 21 19.704 0.036 40.822 1.00 0.00 C ATOM 313 CG LYS A 21 20.791 0.721 39.981 1.00 0.00 C ATOM 314 CD LYS A 21 21.369 -0.260 38.952 1.00 0.00 C ATOM 315 CE LYS A 21 22.297 -1.272 39.634 1.00 0.00 C ATOM 316 NZ LYS A 21 23.009 -2.066 38.593 1.00 0.00 N1+ ATOM 0 H LYS A 21 17.988 -0.620 42.457 1.00 0.00 H new ATOM 0 HA LYS A 21 19.850 1.491 42.402 1.00 0.00 H new ATOM 0 HB2 LYS A 21 20.136 -0.792 41.385 1.00 0.00 H new ATOM 0 HB3 LYS A 21 18.940 -0.386 40.169 1.00 0.00 H new ATOM 0 HG2 LYS A 21 20.372 1.588 39.471 1.00 0.00 H new ATOM 0 HG3 LYS A 21 21.586 1.087 40.631 1.00 0.00 H new ATOM 0 HD2 LYS A 21 20.558 -0.785 38.446 1.00 0.00 H new ATOM 0 HD3 LYS A 21 21.919 0.289 38.188 1.00 0.00 H new ATOM 0 HE2 LYS A 21 23.016 -0.754 40.268 1.00 0.00 H new ATOM 0 HE3 LYS A 21 21.720 -1.933 40.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 23.640 -2.754 39.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 22.315 -2.571 38.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 23.570 -1.428 37.993 1.00 0.00 H new ATOM 330 N ARG A 22 17.194 1.857 40.477 1.00 0.00 N ATOM 331 CA ARG A 22 16.439 2.835 39.701 1.00 0.00 C ATOM 332 C ARG A 22 16.123 4.061 40.553 1.00 0.00 C ATOM 333 O ARG A 22 16.260 5.197 40.099 1.00 0.00 O ATOM 334 CB ARG A 22 15.137 2.206 39.195 1.00 0.00 C ATOM 335 CG ARG A 22 14.372 3.216 38.335 1.00 0.00 C ATOM 336 CD ARG A 22 13.113 2.555 37.774 1.00 0.00 C ATOM 337 NE ARG A 22 12.357 3.510 36.970 1.00 0.00 N ATOM 338 CZ ARG A 22 11.226 3.157 36.366 1.00 0.00 C ATOM 339 NH1 ARG A 22 10.568 4.029 35.652 1.00 0.00 N1+ ATOM 340 NH2 ARG A 22 10.775 1.939 36.489 1.00 0.00 N ATOM 0 H ARG A 22 16.736 0.952 40.581 1.00 0.00 H new ATOM 0 HA ARG A 22 17.044 3.146 38.849 1.00 0.00 H new ATOM 0 HB2 ARG A 22 15.357 1.312 38.612 1.00 0.00 H new ATOM 0 HB3 ARG A 22 14.522 1.893 40.039 1.00 0.00 H new ATOM 0 HG2 ARG A 22 14.103 4.088 38.931 1.00 0.00 H new ATOM 0 HG3 ARG A 22 15.004 3.569 37.520 1.00 0.00 H new ATOM 0 HD2 ARG A 22 13.387 1.693 37.166 1.00 0.00 H new ATOM 0 HD3 ARG A 22 12.493 2.185 38.591 1.00 0.00 H new ATOM 0 HE ARG A 22 12.702 4.465 36.870 1.00 0.00 H new ATOM 0 HH11 ARG A 22 10.921 4.981 35.557 1.00 0.00 H new ATOM 0 HH12 ARG A 22 9.701 3.758 35.189 1.00 0.00 H new ATOM 0 HH21 ARG A 22 11.290 1.259 37.048 1.00 0.00 H new ATOM 0 HH22 ARG A 22 9.908 1.667 36.026 1.00 0.00 H new ATOM 354 N LEU A 23 15.701 3.822 41.791 1.00 0.00 N ATOM 355 CA LEU A 23 15.369 4.916 42.698 1.00 0.00 C ATOM 356 C LEU A 23 16.602 5.768 42.975 1.00 0.00 C ATOM 357 O LEU A 23 16.517 6.995 43.049 1.00 0.00 O ATOM 358 CB LEU A 23 14.829 4.355 44.017 1.00 0.00 C ATOM 359 CG LEU A 23 13.453 3.708 43.797 1.00 0.00 C ATOM 360 CD1 LEU A 23 13.044 2.962 45.071 1.00 0.00 C ATOM 361 CD2 LEU A 23 12.394 4.783 43.461 1.00 0.00 C ATOM 0 H LEU A 23 15.582 2.889 42.187 1.00 0.00 H new ATOM 0 HA LEU A 23 14.606 5.537 42.228 1.00 0.00 H new ATOM 0 HB2 LEU A 23 15.525 3.618 44.419 1.00 0.00 H new ATOM 0 HB3 LEU A 23 14.749 5.154 44.754 1.00 0.00 H new ATOM 0 HG LEU A 23 13.515 3.012 42.960 1.00 0.00 H new ATOM 0 HD11 LEU A 23 12.068 2.499 44.924 1.00 0.00 H new ATOM 0 HD12 LEU A 23 13.781 2.191 45.294 1.00 0.00 H new ATOM 0 HD13 LEU A 23 12.991 3.664 45.903 1.00 0.00 H new ATOM 0 HD21 LEU A 23 11.426 4.305 43.309 1.00 0.00 H new ATOM 0 HD22 LEU A 23 12.322 5.493 44.285 1.00 0.00 H new ATOM 0 HD23 LEU A 23 12.686 5.310 42.552 1.00 0.00 H new ATOM 373 N ASN A 24 17.748 5.114 43.129 1.00 0.00 N ATOM 374 CA ASN A 24 18.993 5.824 43.399 1.00 0.00 C ATOM 375 C ASN A 24 19.322 6.780 42.257 1.00 0.00 C ATOM 376 O ASN A 24 19.744 7.913 42.487 1.00 0.00 O ATOM 377 CB ASN A 24 20.137 4.825 43.577 1.00 0.00 C ATOM 378 CG ASN A 24 21.422 5.562 43.938 1.00 0.00 C ATOM 379 OD1 ASN A 24 21.473 6.262 44.948 1.00 0.00 O ATOM 380 ND2 ASN A 24 22.469 5.444 43.169 1.00 0.00 N ATOM 0 H ASN A 24 17.841 4.100 43.072 1.00 0.00 H new ATOM 0 HA ASN A 24 18.869 6.400 44.316 1.00 0.00 H new ATOM 0 HB2 ASN A 24 19.887 4.109 44.360 1.00 0.00 H new ATOM 0 HB3 ASN A 24 20.280 4.256 42.658 1.00 0.00 H new ATOM 0 HD21 ASN A 24 23.333 5.933 43.405 1.00 0.00 H new ATOM 0 HD22 ASN A 24 22.424 4.863 42.332 1.00 0.00 H new ATOM 387 N GLU A 25 19.126 6.316 41.027 1.00 0.00 N ATOM 388 CA GLU A 25 19.405 7.140 39.857 1.00 0.00 C ATOM 389 C GLU A 25 18.367 8.249 39.725 1.00 0.00 C ATOM 390 O GLU A 25 17.187 8.046 40.015 1.00 0.00 O ATOM 391 CB GLU A 25 19.397 6.276 38.595 1.00 0.00 C ATOM 392 CG GLU A 25 20.598 5.329 38.616 1.00 0.00 C ATOM 393 CD GLU A 25 20.534 4.379 37.425 1.00 0.00 C ATOM 394 OE1 GLU A 25 19.510 4.362 36.760 1.00 0.00 O ATOM 395 OE2 GLU A 25 21.509 3.682 37.194 1.00 0.00 O1- ATOM 0 H GLU A 25 18.778 5.381 40.816 1.00 0.00 H new ATOM 0 HA GLU A 25 20.389 7.592 39.980 1.00 0.00 H new ATOM 0 HB2 GLU A 25 18.471 5.704 38.539 1.00 0.00 H new ATOM 0 HB3 GLU A 25 19.435 6.909 37.708 1.00 0.00 H new ATOM 0 HG2 GLU A 25 21.524 5.903 38.585 1.00 0.00 H new ATOM 0 HG3 GLU A 25 20.607 4.760 39.546 1.00 0.00 H new ATOM 402 N GLU A 26 18.813 9.426 39.284 1.00 0.00 N ATOM 403 CA GLU A 26 17.919 10.574 39.113 1.00 0.00 C ATOM 404 C GLU A 26 18.114 11.202 37.738 1.00 0.00 C ATOM 405 O GLU A 26 19.219 11.202 37.195 1.00 0.00 O ATOM 406 CB GLU A 26 18.202 11.619 40.195 1.00 0.00 C ATOM 407 CG GLU A 26 17.844 11.045 41.566 1.00 0.00 C ATOM 408 CD GLU A 26 18.158 12.063 42.656 1.00 0.00 C ATOM 409 OE1 GLU A 26 18.736 13.088 42.333 1.00 0.00 O ATOM 410 OE2 GLU A 26 17.816 11.805 43.798 1.00 0.00 O1- ATOM 0 H GLU A 26 19.786 9.610 39.039 1.00 0.00 H new ATOM 0 HA GLU A 26 16.889 10.227 39.201 1.00 0.00 H new ATOM 0 HB2 GLU A 26 19.253 11.905 40.172 1.00 0.00 H new ATOM 0 HB3 GLU A 26 17.622 12.522 40.004 1.00 0.00 H new ATOM 0 HG2 GLU A 26 16.786 10.784 41.595 1.00 0.00 H new ATOM 0 HG3 GLU A 26 18.404 10.127 41.742 1.00 0.00 H new ATOM 417 N ARG A 27 17.033 11.739 37.180 1.00 0.00 N ATOM 418 CA ARG A 27 17.092 12.373 35.868 1.00 0.00 C ATOM 419 C ARG A 27 17.844 13.699 35.944 1.00 0.00 C ATOM 420 O ARG A 27 18.271 14.241 34.925 1.00 0.00 O ATOM 421 CB ARG A 27 15.678 12.614 35.339 1.00 0.00 C ATOM 422 CG ARG A 27 15.018 11.274 35.015 1.00 0.00 C ATOM 423 CD ARG A 27 13.598 11.513 34.499 1.00 0.00 C ATOM 424 NE ARG A 27 12.956 10.243 34.180 1.00 0.00 N ATOM 425 CZ ARG A 27 11.716 10.202 33.703 1.00 0.00 C ATOM 426 NH1 ARG A 27 11.163 9.052 33.425 1.00 0.00 N1+ ATOM 427 NH2 ARG A 27 11.052 11.309 33.511 1.00 0.00 N ATOM 0 H ARG A 27 16.110 11.748 37.614 1.00 0.00 H new ATOM 0 HA ARG A 27 17.624 11.707 35.189 1.00 0.00 H new ATOM 0 HB2 ARG A 27 15.088 13.152 36.081 1.00 0.00 H new ATOM 0 HB3 ARG A 27 15.714 13.239 34.446 1.00 0.00 H new ATOM 0 HG2 ARG A 27 15.603 10.741 34.266 1.00 0.00 H new ATOM 0 HG3 ARG A 27 14.991 10.646 35.905 1.00 0.00 H new ATOM 0 HD2 ARG A 27 13.015 12.044 35.251 1.00 0.00 H new ATOM 0 HD3 ARG A 27 13.628 12.146 33.612 1.00 0.00 H new ATOM 0 HE ARG A 27 13.467 9.372 34.325 1.00 0.00 H new ATOM 0 HH11 ARG A 27 11.683 8.187 33.574 1.00 0.00 H new ATOM 0 HH12 ARG A 27 10.212 9.019 33.059 1.00 0.00 H new ATOM 0 HH21 ARG A 27 11.485 12.207 33.727 1.00 0.00 H new ATOM 0 HH22 ARG A 27 10.101 11.276 33.145 1.00 0.00 H new ATOM 441 N HIS A 28 17.995 14.217 37.157 1.00 0.00 N ATOM 442 CA HIS A 28 18.687 15.486 37.358 1.00 0.00 C ATOM 443 C HIS A 28 20.142 15.391 36.908 1.00 0.00 C ATOM 444 O HIS A 28 20.684 16.333 36.330 1.00 0.00 O ATOM 445 CB HIS A 28 18.634 15.880 38.836 1.00 0.00 C ATOM 446 CG HIS A 28 17.236 16.302 39.197 1.00 0.00 C ATOM 447 ND1 HIS A 28 16.235 15.385 39.475 1.00 0.00 N ATOM 448 CD2 HIS A 28 16.657 17.541 39.327 1.00 0.00 C ATOM 449 CE1 HIS A 28 15.117 16.079 39.757 1.00 0.00 C ATOM 450 NE2 HIS A 28 15.319 17.397 39.682 1.00 0.00 N ATOM 0 H HIS A 28 17.650 13.782 38.012 1.00 0.00 H new ATOM 0 HA HIS A 28 18.186 16.246 36.758 1.00 0.00 H new ATOM 0 HB2 HIS A 28 18.943 15.040 39.458 1.00 0.00 H new ATOM 0 HB3 HIS A 28 19.332 16.694 39.031 1.00 0.00 H new ATOM 0 HD2 HIS A 28 17.163 18.483 39.177 1.00 0.00 H new ATOM 0 HE1 HIS A 28 14.171 15.625 40.013 1.00 0.00 H new ATOM 0 HE2 HIS A 28 14.639 18.139 39.849 1.00 0.00 H new ATOM 458 N ASP A 29 20.775 14.254 37.183 1.00 0.00 N ATOM 459 CA ASP A 29 22.173 14.061 36.807 1.00 0.00 C ATOM 460 C ASP A 29 22.325 14.031 35.289 1.00 0.00 C ATOM 461 O ASP A 29 23.421 14.226 34.764 1.00 0.00 O ATOM 462 CB ASP A 29 22.701 12.754 37.403 1.00 0.00 C ATOM 463 CG ASP A 29 21.929 11.569 36.834 1.00 0.00 C ATOM 464 OD1 ASP A 29 21.128 11.783 35.938 1.00 0.00 O ATOM 465 OD2 ASP A 29 22.149 10.464 37.303 1.00 0.00 O1- ATOM 0 H ASP A 29 20.348 13.460 37.660 1.00 0.00 H new ATOM 0 HA ASP A 29 22.751 14.897 37.200 1.00 0.00 H new ATOM 0 HB2 ASP A 29 23.763 12.647 37.181 1.00 0.00 H new ATOM 0 HB3 ASP A 29 22.603 12.774 38.488 1.00 0.00 H new ATOM 470 N HIS A 30 21.222 13.784 34.588 1.00 0.00 N ATOM 471 CA HIS A 30 21.253 13.732 33.131 1.00 0.00 C ATOM 472 C HIS A 30 21.701 15.076 32.562 1.00 0.00 C ATOM 473 O HIS A 30 22.520 15.131 31.645 1.00 0.00 O ATOM 474 CB HIS A 30 19.867 13.377 32.587 1.00 0.00 C ATOM 475 CG HIS A 30 19.960 13.115 31.109 1.00 0.00 C ATOM 476 ND1 HIS A 30 19.946 14.137 30.174 1.00 0.00 N ATOM 477 CD2 HIS A 30 20.065 11.950 30.390 1.00 0.00 C ATOM 478 CE1 HIS A 30 20.042 13.574 28.955 1.00 0.00 C ATOM 479 NE2 HIS A 30 20.116 12.242 29.030 1.00 0.00 N ATOM 0 H HIS A 30 20.304 13.618 35.001 1.00 0.00 H new ATOM 0 HA HIS A 30 21.964 12.964 32.827 1.00 0.00 H new ATOM 0 HB2 HIS A 30 19.478 12.497 33.099 1.00 0.00 H new ATOM 0 HB3 HIS A 30 19.169 14.192 32.779 1.00 0.00 H new ATOM 0 HD2 HIS A 30 20.102 10.958 30.815 1.00 0.00 H new ATOM 0 HE1 HIS A 30 20.057 14.131 28.030 1.00 0.00 H new ATOM 0 HE2 HIS A 30 20.193 11.581 28.257 1.00 0.00 H new ATOM 487 N ASP A 31 21.158 16.155 33.116 1.00 0.00 N ATOM 488 CA ASP A 31 21.508 17.496 32.662 1.00 0.00 C ATOM 489 C ASP A 31 22.997 17.758 32.871 1.00 0.00 C ATOM 490 O ASP A 31 23.650 18.382 32.035 1.00 0.00 O ATOM 491 CB ASP A 31 20.693 18.537 33.431 1.00 0.00 C ATOM 492 CG ASP A 31 19.236 18.492 32.986 1.00 0.00 C ATOM 493 OD1 ASP A 31 18.966 17.874 31.969 1.00 0.00 O ATOM 494 OD2 ASP A 31 18.410 19.079 33.667 1.00 0.00 O1- ATOM 0 H ASP A 31 20.478 16.128 33.876 1.00 0.00 H new ATOM 0 HA ASP A 31 21.281 17.571 31.598 1.00 0.00 H new ATOM 0 HB2 ASP A 31 20.761 18.345 34.502 1.00 0.00 H new ATOM 0 HB3 ASP A 31 21.104 19.532 33.259 1.00 0.00 H new ATOM 499 N LYS A 32 23.524 17.272 33.989 1.00 0.00 N ATOM 500 CA LYS A 32 24.937 17.456 34.301 1.00 0.00 C ATOM 501 C LYS A 32 25.803 16.820 33.218 1.00 0.00 C ATOM 502 O LYS A 32 26.812 17.390 32.802 1.00 0.00 O ATOM 503 CB LYS A 32 25.257 16.826 35.660 1.00 0.00 C ATOM 504 CG LYS A 32 26.731 17.060 36.010 1.00 0.00 C ATOM 505 CD LYS A 32 27.025 16.472 37.391 1.00 0.00 C ATOM 506 CE LYS A 32 28.490 16.727 37.752 1.00 0.00 C ATOM 507 NZ LYS A 32 29.372 16.015 36.785 1.00 0.00 N1+ ATOM 0 H LYS A 32 22.998 16.751 34.691 1.00 0.00 H new ATOM 0 HA LYS A 32 25.152 18.524 34.342 1.00 0.00 H new ATOM 0 HB2 LYS A 32 24.618 17.258 36.430 1.00 0.00 H new ATOM 0 HB3 LYS A 32 25.046 15.757 35.634 1.00 0.00 H new ATOM 0 HG2 LYS A 32 27.372 16.596 35.261 1.00 0.00 H new ATOM 0 HG3 LYS A 32 26.953 18.127 36.002 1.00 0.00 H new ATOM 0 HD2 LYS A 32 26.371 16.924 38.137 1.00 0.00 H new ATOM 0 HD3 LYS A 32 26.820 15.402 37.394 1.00 0.00 H new ATOM 0 HE2 LYS A 32 28.700 17.796 37.732 1.00 0.00 H new ATOM 0 HE3 LYS A 32 28.691 16.382 38.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 30.133 15.529 37.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 28.813 15.317 36.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 29.787 16.701 36.123 1.00 0.00 H new ATOM 521 N ARG A 33 25.402 15.638 32.766 1.00 0.00 N ATOM 522 CA ARG A 33 26.150 14.934 31.730 1.00 0.00 C ATOM 523 C ARG A 33 26.224 15.778 30.461 1.00 0.00 C ATOM 524 O ARG A 33 27.277 15.875 29.832 1.00 0.00 O ATOM 525 CB ARG A 33 25.476 13.595 31.419 1.00 0.00 C ATOM 526 CG ARG A 33 26.283 12.846 30.357 1.00 0.00 C ATOM 527 CD ARG A 33 25.697 11.447 30.163 1.00 0.00 C ATOM 528 NE ARG A 33 26.416 10.740 29.108 1.00 0.00 N ATOM 529 CZ ARG A 33 26.157 9.465 28.836 1.00 0.00 C ATOM 530 NH1 ARG A 33 26.814 8.855 27.888 1.00 0.00 N1+ ATOM 531 NH2 ARG A 33 25.247 8.823 29.517 1.00 0.00 N ATOM 0 H ARG A 33 24.570 15.149 33.097 1.00 0.00 H new ATOM 0 HA ARG A 33 27.162 14.754 32.093 1.00 0.00 H new ATOM 0 HB2 ARG A 33 25.404 12.994 32.326 1.00 0.00 H new ATOM 0 HB3 ARG A 33 24.459 13.762 31.066 1.00 0.00 H new ATOM 0 HG2 ARG A 33 26.262 13.394 29.415 1.00 0.00 H new ATOM 0 HG3 ARG A 33 27.327 12.775 30.661 1.00 0.00 H new ATOM 0 HD2 ARG A 33 25.761 10.886 31.095 1.00 0.00 H new ATOM 0 HD3 ARG A 33 24.640 11.520 29.907 1.00 0.00 H new ATOM 0 HE ARG A 33 27.129 11.233 28.570 1.00 0.00 H new ATOM 0 HH11 ARG A 33 27.526 9.357 27.356 1.00 0.00 H new ATOM 0 HH12 ARG A 33 26.616 7.877 27.678 1.00 0.00 H new ATOM 0 HH21 ARG A 33 24.734 9.300 30.259 1.00 0.00 H new ATOM 0 HH22 ARG A 33 25.049 7.845 29.308 1.00 0.00 H new ATOM 545 N GLU A 34 25.103 16.391 30.096 1.00 0.00 N ATOM 546 CA GLU A 34 25.061 17.232 28.902 1.00 0.00 C ATOM 547 C GLU A 34 26.001 18.424 29.057 1.00 0.00 C ATOM 548 O GLU A 34 26.683 18.817 28.111 1.00 0.00 O ATOM 549 CB GLU A 34 23.636 17.741 28.653 1.00 0.00 C ATOM 550 CG GLU A 34 22.743 16.596 28.164 1.00 0.00 C ATOM 551 CD GLU A 34 21.289 17.054 28.128 1.00 0.00 C ATOM 552 OE1 GLU A 34 20.995 18.072 28.731 1.00 0.00 O ATOM 553 OE2 GLU A 34 20.492 16.381 27.497 1.00 0.00 O1- ATOM 0 H GLU A 34 24.220 16.324 30.602 1.00 0.00 H new ATOM 0 HA GLU A 34 25.380 16.628 28.052 1.00 0.00 H new ATOM 0 HB2 GLU A 34 23.228 18.164 29.571 1.00 0.00 H new ATOM 0 HB3 GLU A 34 23.652 18.541 27.913 1.00 0.00 H new ATOM 0 HG2 GLU A 34 23.058 16.276 27.171 1.00 0.00 H new ATOM 0 HG3 GLU A 34 22.846 15.735 28.824 1.00 0.00 H new ATOM 560 N ALA A 35 26.026 18.998 30.255 1.00 0.00 N ATOM 561 CA ALA A 35 26.878 20.149 30.527 1.00 0.00 C ATOM 562 C ALA A 35 28.351 19.800 30.338 1.00 0.00 C ATOM 563 O ALA A 35 29.127 20.604 29.823 1.00 0.00 O ATOM 564 CB ALA A 35 26.650 20.639 31.959 1.00 0.00 C ATOM 0 H ALA A 35 25.468 18.686 31.050 1.00 0.00 H new ATOM 0 HA ALA A 35 26.616 20.937 29.821 1.00 0.00 H new ATOM 0 HB1 ALA A 35 27.290 21.499 32.155 1.00 0.00 H new ATOM 0 HB2 ALA A 35 25.606 20.927 32.083 1.00 0.00 H new ATOM 0 HB3 ALA A 35 26.891 19.840 32.660 1.00 0.00 H new ATOM 570 N GLU A 36 28.736 18.603 30.771 1.00 0.00 N ATOM 571 CA GLU A 36 30.125 18.172 30.654 1.00 0.00 C ATOM 572 C GLU A 36 30.563 18.136 29.191 1.00 0.00 C ATOM 573 O GLU A 36 31.649 18.604 28.851 1.00 0.00 O ATOM 574 CB GLU A 36 30.291 16.785 31.281 1.00 0.00 C ATOM 575 CG GLU A 36 31.760 16.353 31.209 1.00 0.00 C ATOM 576 CD GLU A 36 31.941 15.007 31.902 1.00 0.00 C ATOM 577 OE1 GLU A 36 30.958 14.478 32.393 1.00 0.00 O ATOM 578 OE2 GLU A 36 33.061 14.525 31.933 1.00 0.00 O1- ATOM 0 H GLU A 36 28.113 17.920 31.202 1.00 0.00 H new ATOM 0 HA GLU A 36 30.754 18.888 31.183 1.00 0.00 H new ATOM 0 HB2 GLU A 36 29.959 16.803 32.319 1.00 0.00 H new ATOM 0 HB3 GLU A 36 29.664 16.063 30.758 1.00 0.00 H new ATOM 0 HG2 GLU A 36 32.076 16.281 30.168 1.00 0.00 H new ATOM 0 HG3 GLU A 36 32.392 17.104 31.683 1.00 0.00 H new ATOM 585 N ARG A 37 29.717 17.578 28.330 1.00 0.00 N ATOM 586 CA ARG A 37 30.044 17.495 26.910 1.00 0.00 C ATOM 587 C ARG A 37 30.156 18.885 26.293 1.00 0.00 C ATOM 588 O ARG A 37 31.034 19.138 25.467 1.00 0.00 O ATOM 589 CB ARG A 37 28.984 16.675 26.170 1.00 0.00 C ATOM 590 CG ARG A 37 29.117 15.202 26.565 1.00 0.00 C ATOM 591 CD ARG A 37 28.009 14.384 25.899 1.00 0.00 C ATOM 592 NE ARG A 37 26.714 14.709 26.481 1.00 0.00 N ATOM 593 CZ ARG A 37 25.598 14.155 26.019 1.00 0.00 C ATOM 594 NH1 ARG A 37 24.449 14.453 26.561 1.00 0.00 N1+ ATOM 595 NH2 ARG A 37 25.651 13.316 25.023 1.00 0.00 N ATOM 0 H ARG A 37 28.812 17.182 28.585 1.00 0.00 H new ATOM 0 HA ARG A 37 31.010 16.999 26.813 1.00 0.00 H new ATOM 0 HB2 ARG A 37 27.987 17.041 26.416 1.00 0.00 H new ATOM 0 HB3 ARG A 37 29.107 16.787 25.093 1.00 0.00 H new ATOM 0 HG2 ARG A 37 30.093 14.822 26.264 1.00 0.00 H new ATOM 0 HG3 ARG A 37 29.056 15.100 27.648 1.00 0.00 H new ATOM 0 HD2 ARG A 37 27.994 14.586 24.828 1.00 0.00 H new ATOM 0 HD3 ARG A 37 28.212 13.320 26.020 1.00 0.00 H new ATOM 0 HE ARG A 37 26.663 15.372 27.255 1.00 0.00 H new ATOM 0 HH11 ARG A 37 24.408 15.111 27.339 1.00 0.00 H new ATOM 0 HH12 ARG A 37 23.592 14.028 26.206 1.00 0.00 H new ATOM 0 HH21 ARG A 37 26.549 13.085 24.598 1.00 0.00 H new ATOM 0 HH22 ARG A 37 24.794 12.891 24.668 1.00 0.00 H new ATOM 609 N LYS A 38 29.265 19.786 26.696 1.00 0.00 N ATOM 610 CA LYS A 38 29.283 21.148 26.171 1.00 0.00 C ATOM 611 C LYS A 38 30.588 21.847 26.538 1.00 0.00 C ATOM 612 O LYS A 38 31.158 22.581 25.731 1.00 0.00 O ATOM 613 CB LYS A 38 28.100 21.943 26.727 1.00 0.00 C ATOM 614 CG LYS A 38 26.799 21.420 26.116 1.00 0.00 C ATOM 615 CD LYS A 38 25.616 22.209 26.680 1.00 0.00 C ATOM 616 CE LYS A 38 24.312 21.670 26.087 1.00 0.00 C ATOM 617 NZ LYS A 38 24.313 21.880 24.613 1.00 0.00 N1+ ATOM 0 H LYS A 38 28.529 19.601 27.377 1.00 0.00 H new ATOM 0 HA LYS A 38 29.204 21.097 25.085 1.00 0.00 H new ATOM 0 HB2 LYS A 38 28.066 21.853 27.813 1.00 0.00 H new ATOM 0 HB3 LYS A 38 28.221 23.002 26.499 1.00 0.00 H new ATOM 0 HG2 LYS A 38 26.830 21.517 25.031 1.00 0.00 H new ATOM 0 HG3 LYS A 38 26.681 20.359 26.338 1.00 0.00 H new ATOM 0 HD2 LYS A 38 25.595 22.126 27.767 1.00 0.00 H new ATOM 0 HD3 LYS A 38 25.725 23.267 26.443 1.00 0.00 H new ATOM 0 HE2 LYS A 38 24.208 20.609 26.314 1.00 0.00 H new ATOM 0 HE3 LYS A 38 23.458 22.177 26.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 23.339 21.822 24.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 24.707 22.818 24.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 24.894 21.147 24.158 1.00 0.00 H new ATOM 631 N ALA A 39 31.057 21.614 27.760 1.00 0.00 N ATOM 632 CA ALA A 39 32.297 22.229 28.220 1.00 0.00 C ATOM 633 C ALA A 39 33.469 21.786 27.350 1.00 0.00 C ATOM 634 O ALA A 39 34.340 22.587 27.010 1.00 0.00 O ATOM 635 CB ALA A 39 32.560 21.840 29.677 1.00 0.00 C ATOM 0 H ALA A 39 30.602 21.009 28.444 1.00 0.00 H new ATOM 0 HA ALA A 39 32.196 23.312 28.146 1.00 0.00 H new ATOM 0 HB1 ALA A 39 33.487 22.302 30.015 1.00 0.00 H new ATOM 0 HB2 ALA A 39 31.735 22.184 30.300 1.00 0.00 H new ATOM 0 HB3 ALA A 39 32.645 20.756 29.754 1.00 0.00 H new ATOM 641 N LEU A 40 33.482 20.507 26.993 1.00 0.00 N ATOM 642 CA LEU A 40 34.550 19.966 26.160 1.00 0.00 C ATOM 643 C LEU A 40 34.545 20.628 24.786 1.00 0.00 C ATOM 644 O LEU A 40 35.600 20.913 24.219 1.00 0.00 O ATOM 645 CB LEU A 40 34.370 18.453 25.996 1.00 0.00 C ATOM 646 CG LEU A 40 34.623 17.741 27.334 1.00 0.00 C ATOM 647 CD1 LEU A 40 34.218 16.268 27.197 1.00 0.00 C ATOM 648 CD2 LEU A 40 36.114 17.835 27.727 1.00 0.00 C ATOM 0 H LEU A 40 32.770 19.829 27.265 1.00 0.00 H new ATOM 0 HA LEU A 40 35.503 20.170 26.648 1.00 0.00 H new ATOM 0 HB2 LEU A 40 33.361 18.235 25.645 1.00 0.00 H new ATOM 0 HB3 LEU A 40 35.059 18.077 25.240 1.00 0.00 H new ATOM 0 HG LEU A 40 34.031 18.222 28.113 1.00 0.00 H new ATOM 0 HD11 LEU A 40 34.394 15.753 28.141 1.00 0.00 H new ATOM 0 HD12 LEU A 40 33.161 16.204 26.940 1.00 0.00 H new ATOM 0 HD13 LEU A 40 34.811 15.799 26.412 1.00 0.00 H new ATOM 0 HD21 LEU A 40 36.273 17.325 28.677 1.00 0.00 H new ATOM 0 HD22 LEU A 40 36.724 17.364 26.956 1.00 0.00 H new ATOM 0 HD23 LEU A 40 36.399 18.882 27.826 1.00 0.00 H new ATOM 660 N GLU A 41 33.350 20.866 24.256 1.00 0.00 N ATOM 661 CA GLU A 41 33.215 21.489 22.943 1.00 0.00 C ATOM 662 C GLU A 41 33.527 22.993 23.029 1.00 0.00 C ATOM 663 O GLU A 41 33.597 23.544 24.127 1.00 0.00 O ATOM 664 CB GLU A 41 31.793 21.281 22.415 1.00 0.00 C ATOM 665 CG GLU A 41 31.570 19.795 22.122 1.00 0.00 C ATOM 666 CD GLU A 41 30.130 19.562 21.680 1.00 0.00 C ATOM 667 OE1 GLU A 41 29.344 20.490 21.773 1.00 0.00 O ATOM 668 OE2 GLU A 41 29.833 18.458 21.254 1.00 0.00 O1- ATOM 0 H GLU A 41 32.466 20.639 24.711 1.00 0.00 H new ATOM 0 HA GLU A 41 33.925 21.024 22.259 1.00 0.00 H new ATOM 0 HB2 GLU A 41 31.066 21.631 23.148 1.00 0.00 H new ATOM 0 HB3 GLU A 41 31.640 21.868 21.509 1.00 0.00 H new ATOM 0 HG2 GLU A 41 32.257 19.462 21.344 1.00 0.00 H new ATOM 0 HG3 GLU A 41 31.786 19.204 23.012 1.00 0.00 H new ATOM 675 N ASP A 42 33.713 23.660 21.879 1.00 0.00 N ATOM 676 CA ASP A 42 34.011 25.089 21.879 1.00 0.00 C ATOM 677 C ASP A 42 35.310 25.372 22.630 1.00 0.00 C ATOM 678 O ASP A 42 35.575 26.508 23.025 1.00 0.00 O ATOM 679 CB ASP A 42 32.858 25.854 22.536 1.00 0.00 C ATOM 680 CG ASP A 42 32.943 27.337 22.190 1.00 0.00 C ATOM 681 OD1 ASP A 42 33.572 28.065 22.942 1.00 0.00 O ATOM 682 OD2 ASP A 42 32.377 27.723 21.181 1.00 0.00 O1- ATOM 0 H ASP A 42 33.662 23.235 20.953 1.00 0.00 H new ATOM 0 HA ASP A 42 34.130 25.419 20.847 1.00 0.00 H new ATOM 0 HB2 ASP A 42 31.904 25.449 22.198 1.00 0.00 H new ATOM 0 HB3 ASP A 42 32.895 25.723 23.617 1.00 0.00 H new ATOM 687 N LYS A 43 36.119 24.334 22.817 1.00 0.00 N ATOM 688 CA LYS A 43 37.392 24.482 23.511 1.00 0.00 C ATOM 689 C LYS A 43 38.332 25.396 22.727 1.00 0.00 C ATOM 690 O LYS A 43 39.002 26.256 23.299 1.00 0.00 O ATOM 691 CB LYS A 43 38.043 23.108 23.700 1.00 0.00 C ATOM 692 CG LYS A 43 39.358 23.253 24.474 1.00 0.00 C ATOM 693 CD LYS A 43 39.969 21.869 24.702 1.00 0.00 C ATOM 694 CE LYS A 43 41.268 22.010 25.498 1.00 0.00 C ATOM 695 NZ LYS A 43 42.257 22.789 24.701 1.00 0.00 N1+ ATOM 0 H LYS A 43 35.917 23.386 22.499 1.00 0.00 H new ATOM 0 HA LYS A 43 37.204 24.932 24.486 1.00 0.00 H new ATOM 0 HB2 LYS A 43 37.365 22.446 24.239 1.00 0.00 H new ATOM 0 HB3 LYS A 43 38.231 22.649 22.729 1.00 0.00 H new ATOM 0 HG2 LYS A 43 40.053 23.882 23.918 1.00 0.00 H new ATOM 0 HG3 LYS A 43 39.178 23.745 25.430 1.00 0.00 H new ATOM 0 HD2 LYS A 43 39.266 21.234 25.242 1.00 0.00 H new ATOM 0 HD3 LYS A 43 40.167 21.385 23.746 1.00 0.00 H new ATOM 0 HE2 LYS A 43 41.073 22.511 26.446 1.00 0.00 H new ATOM 0 HE3 LYS A 43 41.671 21.025 25.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 43.211 22.632 25.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 42.226 22.478 23.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 42.025 23.801 24.754 1.00 0.00 H new ATOM 709 N LEU A 44 38.383 25.189 21.415 1.00 0.00 N ATOM 710 CA LEU A 44 39.252 25.985 20.551 1.00 0.00 C ATOM 711 C LEU A 44 38.848 27.457 20.561 1.00 0.00 C ATOM 712 O LEU A 44 39.702 28.342 20.552 1.00 0.00 O ATOM 713 CB LEU A 44 39.187 25.452 19.116 1.00 0.00 C ATOM 714 CG LEU A 44 39.843 24.065 19.033 1.00 0.00 C ATOM 715 CD1 LEU A 44 39.565 23.465 17.651 1.00 0.00 C ATOM 716 CD2 LEU A 44 41.368 24.170 19.256 1.00 0.00 C ATOM 0 H LEU A 44 37.836 24.480 20.927 1.00 0.00 H new ATOM 0 HA LEU A 44 40.270 25.904 20.933 1.00 0.00 H new ATOM 0 HB2 LEU A 44 38.149 25.391 18.790 1.00 0.00 H new ATOM 0 HB3 LEU A 44 39.693 26.142 18.441 1.00 0.00 H new ATOM 0 HG LEU A 44 39.425 23.425 19.810 1.00 0.00 H new ATOM 0 HD11 LEU A 44 40.027 22.480 17.582 1.00 0.00 H new ATOM 0 HD12 LEU A 44 38.489 23.372 17.504 1.00 0.00 H new ATOM 0 HD13 LEU A 44 39.981 24.115 16.882 1.00 0.00 H new ATOM 0 HD21 LEU A 44 41.814 23.177 19.193 1.00 0.00 H new ATOM 0 HD22 LEU A 44 41.804 24.813 18.491 1.00 0.00 H new ATOM 0 HD23 LEU A 44 41.563 24.594 20.241 1.00 0.00 H new ATOM 728 N ALA A 45 37.543 27.711 20.567 1.00 0.00 N ATOM 729 CA ALA A 45 37.048 29.083 20.562 1.00 0.00 C ATOM 730 C ALA A 45 37.524 29.838 21.801 1.00 0.00 C ATOM 731 O ALA A 45 37.896 31.008 21.718 1.00 0.00 O ATOM 732 CB ALA A 45 35.519 29.082 20.513 1.00 0.00 C ATOM 0 H ALA A 45 36.817 26.994 20.575 1.00 0.00 H new ATOM 0 HA ALA A 45 37.441 29.587 19.679 1.00 0.00 H new ATOM 0 HB1 ALA A 45 35.154 30.109 20.509 1.00 0.00 H new ATOM 0 HB2 ALA A 45 35.184 28.575 19.608 1.00 0.00 H new ATOM 0 HB3 ALA A 45 35.127 28.561 21.387 1.00 0.00 H new ATOM 738 N ASP A 46 37.512 29.165 22.947 1.00 0.00 N ATOM 739 CA ASP A 46 37.950 29.794 24.193 1.00 0.00 C ATOM 740 C ASP A 46 38.370 28.736 25.210 1.00 0.00 C ATOM 741 O ASP A 46 38.072 27.554 25.047 1.00 0.00 O ATOM 742 CB ASP A 46 36.811 30.640 24.768 1.00 0.00 C ATOM 743 CG ASP A 46 35.634 29.744 25.141 1.00 0.00 C ATOM 744 OD1 ASP A 46 35.761 28.541 24.991 1.00 0.00 O ATOM 745 OD2 ASP A 46 34.624 30.276 25.572 1.00 0.00 O1- ATOM 0 H ASP A 46 37.208 28.196 23.042 1.00 0.00 H new ATOM 0 HA ASP A 46 38.808 30.431 23.981 1.00 0.00 H new ATOM 0 HB2 ASP A 46 37.158 31.183 25.647 1.00 0.00 H new ATOM 0 HB3 ASP A 46 36.495 31.384 24.037 1.00 0.00 H new ATOM 750 N LYS A 47 39.060 29.170 26.261 1.00 0.00 N ATOM 751 CA LYS A 47 39.513 28.252 27.300 1.00 0.00 C ATOM 752 C LYS A 47 38.377 27.940 28.268 1.00 0.00 C ATOM 753 O LYS A 47 37.543 28.797 28.558 1.00 0.00 O ATOM 754 CB LYS A 47 40.683 28.869 28.070 1.00 0.00 C ATOM 755 CG LYS A 47 41.874 29.047 27.122 1.00 0.00 C ATOM 756 CD LYS A 47 43.142 29.425 27.906 1.00 0.00 C ATOM 757 CE LYS A 47 43.041 30.859 28.443 1.00 0.00 C ATOM 758 NZ LYS A 47 42.825 31.800 27.309 1.00 0.00 N1+ ATOM 0 H LYS A 47 39.316 30.145 26.415 1.00 0.00 H new ATOM 0 HA LYS A 47 39.838 27.327 26.824 1.00 0.00 H new ATOM 0 HB2 LYS A 47 40.390 29.831 28.490 1.00 0.00 H new ATOM 0 HB3 LYS A 47 40.962 28.228 28.906 1.00 0.00 H new ATOM 0 HG2 LYS A 47 42.045 28.124 26.568 1.00 0.00 H new ATOM 0 HG3 LYS A 47 41.649 29.822 26.389 1.00 0.00 H new ATOM 0 HD2 LYS A 47 43.284 28.731 28.734 1.00 0.00 H new ATOM 0 HD3 LYS A 47 44.015 29.334 27.260 1.00 0.00 H new ATOM 0 HE2 LYS A 47 42.219 30.935 29.154 1.00 0.00 H new ATOM 0 HE3 LYS A 47 43.952 31.123 28.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 43.137 32.753 27.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 43.373 31.481 26.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 41.814 31.824 27.065 1.00 0.00 H new ATOM 772 N GLN A 48 38.349 26.709 28.766 1.00 0.00 N ATOM 773 CA GLN A 48 37.310 26.298 29.702 1.00 0.00 C ATOM 774 C GLN A 48 37.534 26.955 31.062 1.00 0.00 C ATOM 775 O GLN A 48 38.642 26.940 31.594 1.00 0.00 O ATOM 776 CB GLN A 48 37.319 24.772 29.854 1.00 0.00 C ATOM 777 CG GLN A 48 36.164 24.319 30.758 1.00 0.00 C ATOM 778 CD GLN A 48 34.824 24.693 30.131 1.00 0.00 C ATOM 779 OE1 GLN A 48 34.462 24.136 29.008 1.00 0.00 O flip ATOM 780 NE2 GLN A 48 34.089 25.514 30.679 1.00 0.00 N flip ATOM 0 H GLN A 48 39.029 25.983 28.539 1.00 0.00 H new ATOM 0 HA GLN A 48 36.342 26.614 29.313 1.00 0.00 H new ATOM 0 HB2 GLN A 48 37.229 24.302 28.875 1.00 0.00 H new ATOM 0 HB3 GLN A 48 38.270 24.448 30.277 1.00 0.00 H new ATOM 0 HG2 GLN A 48 36.214 23.241 30.911 1.00 0.00 H new ATOM 0 HG3 GLN A 48 36.257 24.784 31.739 1.00 0.00 H new ATOM 0 HE21 GLN A 48 34.374 25.948 31.557 1.00 0.00 H new ATOM 0 HE22 GLN A 48 33.194 25.760 30.255 1.00 0.00 H new ATOM 789 N GLU A 49 36.472 27.532 31.616 1.00 0.00 N ATOM 790 CA GLU A 49 36.566 28.192 32.914 1.00 0.00 C ATOM 791 C GLU A 49 36.756 27.166 34.026 1.00 0.00 C ATOM 792 O GLU A 49 36.181 26.079 33.985 1.00 0.00 O ATOM 793 CB GLU A 49 35.299 29.007 33.178 1.00 0.00 C ATOM 794 CG GLU A 49 35.244 30.196 32.217 1.00 0.00 C ATOM 795 CD GLU A 49 33.925 30.942 32.385 1.00 0.00 C ATOM 796 OE1 GLU A 49 33.059 30.427 33.073 1.00 0.00 O ATOM 797 OE2 GLU A 49 33.801 32.018 31.825 1.00 0.00 O1- ATOM 0 H GLU A 49 35.545 27.556 31.192 1.00 0.00 H new ATOM 0 HA GLU A 49 37.429 28.857 32.900 1.00 0.00 H new ATOM 0 HB2 GLU A 49 34.417 28.380 33.047 1.00 0.00 H new ATOM 0 HB3 GLU A 49 35.289 29.359 34.209 1.00 0.00 H new ATOM 0 HG2 GLU A 49 36.079 30.869 32.410 1.00 0.00 H new ATOM 0 HG3 GLU A 49 35.346 29.848 31.189 1.00 0.00 H new ATOM 804 N HIS A 50 37.566 27.519 35.017 1.00 0.00 N ATOM 805 CA HIS A 50 37.825 26.620 36.137 1.00 0.00 C ATOM 806 C HIS A 50 36.582 26.478 37.010 1.00 0.00 C ATOM 807 O HIS A 50 36.487 25.560 37.825 1.00 0.00 O ATOM 808 CB HIS A 50 38.987 27.153 36.978 1.00 0.00 C ATOM 809 CG HIS A 50 38.583 28.448 37.630 1.00 0.00 C ATOM 810 ND1 HIS A 50 38.564 29.649 36.940 1.00 0.00 N ATOM 811 CD2 HIS A 50 38.183 28.745 38.909 1.00 0.00 C ATOM 812 CE1 HIS A 50 38.164 30.604 37.799 1.00 0.00 C ATOM 813 NE2 HIS A 50 37.918 30.107 39.014 1.00 0.00 N ATOM 0 H HIS A 50 38.052 28.414 35.069 1.00 0.00 H new ATOM 0 HA HIS A 50 38.087 25.640 35.738 1.00 0.00 H new ATOM 0 HB2 HIS A 50 39.265 26.422 37.738 1.00 0.00 H new ATOM 0 HB3 HIS A 50 39.864 27.308 36.349 1.00 0.00 H new ATOM 0 HD2 HIS A 50 38.088 28.030 39.713 1.00 0.00 H new ATOM 0 HE1 HIS A 50 38.055 31.646 37.538 1.00 0.00 H new ATOM 0 HE2 HIS A 50 37.604 30.616 39.840 1.00 0.00 H new ATOM 821 N LEU A 51 35.631 27.389 36.832 1.00 0.00 N ATOM 822 CA LEU A 51 34.396 27.350 37.610 1.00 0.00 C ATOM 823 C LEU A 51 33.615 26.076 37.300 1.00 0.00 C ATOM 824 O LEU A 51 33.038 25.459 38.195 1.00 0.00 O ATOM 825 CB LEU A 51 33.526 28.574 37.297 1.00 0.00 C ATOM 826 CG LEU A 51 34.158 29.853 37.878 1.00 0.00 C ATOM 827 CD1 LEU A 51 33.396 31.070 37.345 1.00 0.00 C ATOM 828 CD2 LEU A 51 34.093 29.838 39.422 1.00 0.00 C ATOM 0 H LEU A 51 35.689 28.157 36.163 1.00 0.00 H new ATOM 0 HA LEU A 51 34.658 27.361 38.668 1.00 0.00 H new ATOM 0 HB2 LEU A 51 33.410 28.677 36.218 1.00 0.00 H new ATOM 0 HB3 LEU A 51 32.528 28.434 37.713 1.00 0.00 H new ATOM 0 HG LEU A 51 35.204 29.903 37.576 1.00 0.00 H new ATOM 0 HD11 LEU A 51 33.836 31.981 37.751 1.00 0.00 H new ATOM 0 HD12 LEU A 51 33.458 31.090 36.257 1.00 0.00 H new ATOM 0 HD13 LEU A 51 32.351 31.006 37.647 1.00 0.00 H new ATOM 0 HD21 LEU A 51 34.544 30.749 39.814 1.00 0.00 H new ATOM 0 HD22 LEU A 51 33.053 29.782 39.742 1.00 0.00 H new ATOM 0 HD23 LEU A 51 34.636 28.972 39.801 1.00 0.00 H new ATOM 840 N ASP A 52 33.601 25.690 36.029 1.00 0.00 N ATOM 841 CA ASP A 52 32.888 24.487 35.614 1.00 0.00 C ATOM 842 C ASP A 52 33.471 23.257 36.299 1.00 0.00 C ATOM 843 O ASP A 52 32.738 22.356 36.710 1.00 0.00 O ATOM 844 CB ASP A 52 32.981 24.322 34.096 1.00 0.00 C ATOM 845 CG ASP A 52 32.123 25.377 33.403 1.00 0.00 C ATOM 846 OD1 ASP A 52 31.326 26.003 34.083 1.00 0.00 O ATOM 847 OD2 ASP A 52 32.276 25.541 32.205 1.00 0.00 O1- ATOM 0 H ASP A 52 34.071 26.188 35.273 1.00 0.00 H new ATOM 0 HA ASP A 52 31.842 24.588 35.904 1.00 0.00 H new ATOM 0 HB2 ASP A 52 34.018 24.416 33.775 1.00 0.00 H new ATOM 0 HB3 ASP A 52 32.648 23.325 33.809 1.00 0.00 H new ATOM 852 N GLY A 53 34.794 23.223 36.420 1.00 0.00 N ATOM 853 CA GLY A 53 35.467 22.097 37.056 1.00 0.00 C ATOM 854 C GLY A 53 35.025 21.949 38.508 1.00 0.00 C ATOM 855 O GLY A 53 34.826 20.835 38.995 1.00 0.00 O ATOM 0 H GLY A 53 35.418 23.958 36.088 1.00 0.00 H new ATOM 0 HA2 GLY A 53 35.246 21.180 36.509 1.00 0.00 H new ATOM 0 HA3 GLY A 53 36.546 22.242 37.013 1.00 0.00 H new ATOM 859 N ALA A 54 34.874 23.076 39.194 1.00 0.00 N ATOM 860 CA ALA A 54 34.457 23.059 40.592 1.00 0.00 C ATOM 861 C ALA A 54 33.077 22.424 40.731 1.00 0.00 C ATOM 862 O ALA A 54 32.825 21.664 41.666 1.00 0.00 O ATOM 863 CB ALA A 54 34.424 24.484 41.146 1.00 0.00 C ATOM 0 H ALA A 54 35.033 24.007 38.809 1.00 0.00 H new ATOM 0 HA ALA A 54 35.176 22.467 41.159 1.00 0.00 H new ATOM 0 HB1 ALA A 54 34.112 24.461 42.190 1.00 0.00 H new ATOM 0 HB2 ALA A 54 35.418 24.925 41.074 1.00 0.00 H new ATOM 0 HB3 ALA A 54 33.719 25.082 40.569 1.00 0.00 H new ATOM 869 N LEU A 55 32.188 22.741 39.796 1.00 0.00 N ATOM 870 CA LEU A 55 30.836 22.193 39.826 1.00 0.00 C ATOM 871 C LEU A 55 30.874 20.677 39.678 1.00 0.00 C ATOM 872 O LEU A 55 30.118 19.960 40.335 1.00 0.00 O ATOM 873 CB LEU A 55 30.001 22.796 38.691 1.00 0.00 C ATOM 874 CG LEU A 55 29.737 24.286 38.959 1.00 0.00 C ATOM 875 CD1 LEU A 55 29.101 24.911 37.711 1.00 0.00 C ATOM 876 CD2 LEU A 55 28.793 24.462 40.167 1.00 0.00 C ATOM 0 H LEU A 55 32.376 23.369 39.014 1.00 0.00 H new ATOM 0 HA LEU A 55 30.382 22.445 40.784 1.00 0.00 H new ATOM 0 HB2 LEU A 55 30.524 22.677 37.742 1.00 0.00 H new ATOM 0 HB3 LEU A 55 29.055 22.262 38.603 1.00 0.00 H new ATOM 0 HG LEU A 55 30.681 24.781 39.186 1.00 0.00 H new ATOM 0 HD11 LEU A 55 28.910 25.969 37.891 1.00 0.00 H new ATOM 0 HD12 LEU A 55 29.779 24.804 36.865 1.00 0.00 H new ATOM 0 HD13 LEU A 55 28.161 24.405 37.489 1.00 0.00 H new ATOM 0 HD21 LEU A 55 28.618 25.524 40.341 1.00 0.00 H new ATOM 0 HD22 LEU A 55 27.844 23.967 39.962 1.00 0.00 H new ATOM 0 HD23 LEU A 55 29.249 24.020 41.053 1.00 0.00 H new ATOM 888 N ARG A 56 31.759 20.193 38.814 1.00 0.00 N ATOM 889 CA ARG A 56 31.888 18.758 38.587 1.00 0.00 C ATOM 890 C ARG A 56 32.509 18.078 39.803 1.00 0.00 C ATOM 891 O ARG A 56 33.379 18.643 40.466 1.00 0.00 O ATOM 892 CB ARG A 56 32.758 18.501 37.355 1.00 0.00 C ATOM 893 CG ARG A 56 32.038 19.007 36.104 1.00 0.00 C ATOM 894 CD ARG A 56 32.962 18.871 34.893 1.00 0.00 C ATOM 895 NE ARG A 56 33.257 17.466 34.639 1.00 0.00 N ATOM 896 CZ ARG A 56 34.160 17.108 33.731 1.00 0.00 C ATOM 897 NH1 ARG A 56 34.409 15.843 33.522 1.00 0.00 N1+ ATOM 898 NH2 ARG A 56 34.798 18.019 33.050 1.00 0.00 N ATOM 0 H ARG A 56 32.395 20.769 38.262 1.00 0.00 H new ATOM 0 HA ARG A 56 30.894 18.343 38.422 1.00 0.00 H new ATOM 0 HB2 ARG A 56 33.718 19.006 37.464 1.00 0.00 H new ATOM 0 HB3 ARG A 56 32.967 17.435 37.261 1.00 0.00 H new ATOM 0 HG2 ARG A 56 31.123 18.437 35.942 1.00 0.00 H new ATOM 0 HG3 ARG A 56 31.745 20.049 36.236 1.00 0.00 H new ATOM 0 HD2 ARG A 56 32.492 19.316 34.016 1.00 0.00 H new ATOM 0 HD3 ARG A 56 33.888 19.418 35.070 1.00 0.00 H new ATOM 0 HE ARG A 56 32.763 16.746 35.166 1.00 0.00 H new ATOM 0 HH11 ARG A 56 33.911 15.130 34.055 1.00 0.00 H new ATOM 0 HH12 ARG A 56 35.102 15.568 32.826 1.00 0.00 H new ATOM 0 HH21 ARG A 56 34.604 19.007 33.214 1.00 0.00 H new ATOM 0 HH22 ARG A 56 35.491 17.744 32.354 1.00 0.00 H new ATOM 912 N TYR A 57 32.056 16.862 40.090 1.00 0.00 N ATOM 913 CA TYR A 57 32.575 16.114 41.228 1.00 0.00 C ATOM 914 C TYR A 57 34.097 16.024 41.163 1.00 0.00 C ATOM 915 O TYR A 57 34.668 16.626 40.270 1.00 0.00 O ATOM 916 CB TYR A 57 31.978 14.704 41.244 1.00 0.00 C ATOM 917 CG TYR A 57 32.329 13.996 39.958 1.00 0.00 C ATOM 918 CD1 TYR A 57 33.513 13.253 39.868 1.00 0.00 C ATOM 919 CD2 TYR A 57 31.471 14.080 38.857 1.00 0.00 C ATOM 920 CE1 TYR A 57 33.837 12.595 38.677 1.00 0.00 C ATOM 921 CE2 TYR A 57 31.796 13.422 37.663 1.00 0.00 C ATOM 922 CZ TYR A 57 32.979 12.680 37.574 1.00 0.00 C ATOM 923 OH TYR A 57 33.299 12.030 36.400 1.00 0.00 O ATOM 924 OXT TYR A 57 34.667 15.354 42.007 1.00 0.00 O ATOM 0 H TYR A 57 31.336 16.377 39.555 1.00 0.00 H new ATOM 0 HA TYR A 57 32.293 16.638 42.141 1.00 0.00 H new ATOM 0 HB2 TYR A 57 32.362 14.144 42.097 1.00 0.00 H new ATOM 0 HB3 TYR A 57 30.895 14.757 41.359 1.00 0.00 H new ATOM 0 HD1 TYR A 57 34.176 13.188 40.718 1.00 0.00 H new ATOM 0 HD2 TYR A 57 30.558 14.652 38.927 1.00 0.00 H new ATOM 0 HE1 TYR A 57 34.749 12.021 38.608 1.00 0.00 H new ATOM 0 HE2 TYR A 57 31.134 13.488 36.812 1.00 0.00 H new ATOM 0 HH TYR A 57 32.597 12.191 35.735 1.00 0.00 H new TER 934 TYR A 57