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= -0.0405 K(o=-0.041,f=-1.4!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ -160:sc= -0.0734 (180deg=-0.554) USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=-0.001) USER MOD Single : A 28 HIS : no HD1:sc= -0.0425 X(o=-0.043,f=0) USER MOD Single : A 30 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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+ 168:sc= 0 (180deg=-0.112) USER MOD Single : A 48 GLN : amide:sc= -0.183 X(o=-0.18,f=-0.2) USER MOD Single : A 50 HIS :FLIP no HD1:sc= 0.0481 F(o=-2.2!,f=0.048) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.197 22.599 62.936 1.00 0.00 N ATOM 2 CA GLY A 1 -6.581 21.588 63.961 1.00 0.00 C ATOM 3 C GLY A 1 -6.370 20.187 63.399 1.00 0.00 C ATOM 4 O GLY A 1 -7.032 19.785 62.442 1.00 0.00 O ATOM 0 H1 GLY A 1 -6.341 23.555 63.320 1.00 0.00 H new ATOM 0 H2 GLY A 1 -5.196 22.475 62.684 1.00 0.00 H new ATOM 0 H3 GLY A 1 -6.786 22.474 62.088 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -5.983 21.723 64.862 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -7.624 21.723 64.247 1.00 0.00 H new ATOM 10 N SER A 2 -5.445 19.447 64.000 1.00 0.00 N ATOM 11 CA SER A 2 -5.154 18.089 63.551 1.00 0.00 C ATOM 12 C SER A 2 -6.386 17.202 63.699 1.00 0.00 C ATOM 13 O SER A 2 -6.678 16.379 62.832 1.00 0.00 O ATOM 14 CB SER A 2 -4.002 17.503 64.367 1.00 0.00 C ATOM 15 OG SER A 2 -2.814 18.232 64.088 1.00 0.00 O ATOM 0 H SER A 2 -4.887 19.761 64.794 1.00 0.00 H new ATOM 0 HA SER A 2 -4.870 18.128 62.499 1.00 0.00 H new ATOM 0 HB2 SER A 2 -4.232 17.553 65.431 1.00 0.00 H new ATOM 0 HB3 SER A 2 -3.864 16.450 64.120 1.00 0.00 H new ATOM 0 HG SER A 2 -2.072 17.861 64.610 1.00 0.00 H new ATOM 21 N ALA A 3 -7.107 17.376 64.803 1.00 0.00 N ATOM 22 CA ALA A 3 -8.305 16.585 65.052 1.00 0.00 C ATOM 23 C ALA A 3 -9.345 16.831 63.963 1.00 0.00 C ATOM 24 O ALA A 3 -10.020 15.902 63.516 1.00 0.00 O ATOM 25 CB ALA A 3 -8.897 16.950 66.415 1.00 0.00 C ATOM 0 H ALA A 3 -6.884 18.052 65.533 1.00 0.00 H new ATOM 0 HA ALA A 3 -8.029 15.530 65.045 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -9.792 16.355 66.594 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -8.164 16.747 67.196 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -9.157 18.009 66.427 1.00 0.00 H new ATOM 31 N GLY A 4 -9.469 18.083 63.542 1.00 0.00 N ATOM 32 CA GLY A 4 -10.429 18.442 62.505 1.00 0.00 C ATOM 33 C GLY A 4 -10.125 17.711 61.202 1.00 0.00 C ATOM 34 O GLY A 4 -11.032 17.258 60.505 1.00 0.00 O ATOM 0 H GLY A 4 -8.920 18.864 63.900 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -11.438 18.196 62.837 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -10.402 19.519 62.337 1.00 0.00 H new ATOM 38 N LEU A 5 -8.836 17.602 60.875 1.00 0.00 N ATOM 39 CA LEU A 5 -8.410 16.925 59.647 1.00 0.00 C ATOM 40 C LEU A 5 -7.944 15.507 59.964 1.00 0.00 C ATOM 41 O LEU A 5 -7.013 15.307 60.745 1.00 0.00 O ATOM 42 CB LEU A 5 -7.269 17.722 58.998 1.00 0.00 C ATOM 43 CG LEU A 5 -6.776 17.025 57.719 1.00 0.00 C ATOM 44 CD1 LEU A 5 -7.924 16.908 56.701 1.00 0.00 C ATOM 45 CD2 LEU A 5 -5.636 17.852 57.115 1.00 0.00 C ATOM 0 H LEU A 5 -8.071 17.972 61.440 1.00 0.00 H new ATOM 0 HA LEU A 5 -9.251 16.868 58.956 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -7.612 18.729 58.760 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -6.444 17.825 59.703 1.00 0.00 H new ATOM 0 HG LEU A 5 -6.423 16.023 57.964 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -7.562 16.413 55.800 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -8.736 16.325 57.134 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -8.288 17.904 56.447 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -5.277 17.368 56.207 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -5.999 18.851 56.875 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -4.820 17.926 57.834 1.00 0.00 H new ATOM 57 N GLN A 6 -8.603 14.523 59.357 1.00 0.00 N ATOM 58 CA GLN A 6 -8.261 13.121 59.577 1.00 0.00 C ATOM 59 C GLN A 6 -7.208 12.655 58.577 1.00 0.00 C ATOM 60 O GLN A 6 -6.765 11.507 58.617 1.00 0.00 O ATOM 61 CB GLN A 6 -9.516 12.259 59.435 1.00 0.00 C ATOM 62 CG GLN A 6 -10.469 12.546 60.596 1.00 0.00 C ATOM 63 CD GLN A 6 -11.805 11.851 60.358 1.00 0.00 C ATOM 64 OE1 GLN A 6 -12.207 11.652 59.211 1.00 0.00 O ATOM 65 NE2 GLN A 6 -12.522 11.467 61.378 1.00 0.00 N ATOM 0 H GLN A 6 -9.377 14.671 58.709 1.00 0.00 H new ATOM 0 HA GLN A 6 -7.853 13.019 60.583 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -10.009 12.470 58.486 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -9.245 11.203 59.426 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -10.031 12.199 61.532 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -10.621 13.621 60.695 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -12.188 11.632 62.327 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -13.417 11.001 61.226 1.00 0.00 H new ATOM 74 N GLU A 7 -6.814 13.551 57.680 1.00 0.00 N ATOM 75 CA GLU A 7 -5.814 13.217 56.669 1.00 0.00 C ATOM 76 C GLU A 7 -6.202 11.933 55.944 1.00 0.00 C ATOM 77 O GLU A 7 -5.355 11.084 55.671 1.00 0.00 O ATOM 78 CB GLU A 7 -4.432 13.043 57.315 1.00 0.00 C ATOM 79 CG GLU A 7 -3.914 14.391 57.846 1.00 0.00 C ATOM 80 CD GLU A 7 -4.534 14.716 59.203 1.00 0.00 C ATOM 81 OE1 GLU A 7 -5.223 13.867 59.742 1.00 0.00 O ATOM 82 OE2 GLU A 7 -4.311 15.816 59.683 1.00 0.00 O1- ATOM 0 H GLU A 7 -7.167 14.507 57.630 1.00 0.00 H new ATOM 0 HA GLU A 7 -5.770 14.036 55.951 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -4.493 12.323 58.131 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -3.731 12.639 56.585 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -2.828 14.358 57.936 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -4.151 15.182 57.135 1.00 0.00 H new ATOM 89 N LYS A 8 -7.487 11.800 55.635 1.00 0.00 N ATOM 90 CA LYS A 8 -7.983 10.616 54.941 1.00 0.00 C ATOM 91 C LYS A 8 -7.322 10.487 53.571 1.00 0.00 C ATOM 92 O LYS A 8 -6.939 9.393 53.155 1.00 0.00 O ATOM 93 CB LYS A 8 -9.504 10.707 54.780 1.00 0.00 C ATOM 94 CG LYS A 8 -10.034 9.446 54.092 1.00 0.00 C ATOM 95 CD LYS A 8 -11.557 9.532 53.974 1.00 0.00 C ATOM 96 CE LYS A 8 -12.088 8.275 53.283 1.00 0.00 C ATOM 97 NZ LYS A 8 -13.572 8.354 53.177 1.00 0.00 N1+ ATOM 0 H LYS A 8 -8.202 12.494 55.853 1.00 0.00 H new ATOM 0 HA LYS A 8 -7.736 9.734 55.532 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -9.975 10.824 55.756 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -9.764 11.588 54.193 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -9.587 9.343 53.103 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -9.752 8.561 54.663 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -12.004 9.632 54.963 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -11.839 10.419 53.406 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -11.647 8.179 52.291 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -11.800 7.388 53.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -13.932 7.499 52.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -13.985 8.426 54.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -13.836 9.192 52.621 1.00 0.00 H new ATOM 111 N GLU A 9 -7.201 11.610 52.871 1.00 0.00 N ATOM 112 CA GLU A 9 -6.592 11.614 51.543 1.00 0.00 C ATOM 113 C GLU A 9 -5.139 11.151 51.616 1.00 0.00 C ATOM 114 O GLU A 9 -4.665 10.430 50.738 1.00 0.00 O ATOM 115 CB GLU A 9 -6.648 13.025 50.944 1.00 0.00 C ATOM 116 CG GLU A 9 -8.099 13.402 50.606 1.00 0.00 C ATOM 117 CD GLU A 9 -8.841 13.850 51.863 1.00 0.00 C ATOM 118 OE1 GLU A 9 -8.211 13.944 52.902 1.00 0.00 O ATOM 119 OE2 GLU A 9 -10.034 14.093 51.765 1.00 0.00 O1- ATOM 0 H GLU A 9 -7.514 12.524 53.197 1.00 0.00 H new ATOM 0 HA GLU A 9 -7.151 10.926 50.908 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -6.233 13.744 51.650 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -6.034 13.071 50.045 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -8.110 14.202 49.865 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -8.609 12.548 50.161 1.00 0.00 H new ATOM 126 N ARG A 10 -4.438 11.575 52.661 1.00 0.00 N ATOM 127 CA ARG A 10 -3.037 11.202 52.835 1.00 0.00 C ATOM 128 C ARG A 10 -2.219 11.606 51.613 1.00 0.00 C ATOM 129 O ARG A 10 -1.362 10.854 51.151 1.00 0.00 O ATOM 130 CB ARG A 10 -2.914 9.690 53.052 1.00 0.00 C ATOM 131 CG ARG A 10 -3.649 9.294 54.334 1.00 0.00 C ATOM 132 CD ARG A 10 -3.310 7.846 54.690 1.00 0.00 C ATOM 133 NE ARG A 10 -3.762 6.947 53.631 1.00 0.00 N ATOM 134 CZ ARG A 10 -5.000 6.460 53.617 1.00 0.00 C ATOM 135 NH1 ARG A 10 -5.372 5.654 52.660 1.00 0.00 N1+ ATOM 136 NH2 ARG A 10 -5.844 6.792 54.556 1.00 0.00 N ATOM 0 H ARG A 10 -4.813 12.174 53.397 1.00 0.00 H new ATOM 0 HA ARG A 10 -2.652 11.726 53.710 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -3.334 9.155 52.200 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -1.864 9.407 53.121 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -3.362 9.957 55.150 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -4.725 9.404 54.198 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -2.234 7.741 54.832 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -3.784 7.575 55.634 1.00 0.00 H new ATOM 0 HE ARG A 10 -3.115 6.687 52.887 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -4.714 5.398 51.924 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -6.321 5.280 52.648 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -5.555 7.425 55.301 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -6.793 6.418 54.544 1.00 0.00 H new ATOM 150 N GLU A 11 -2.495 12.796 51.089 1.00 0.00 N ATOM 151 CA GLU A 11 -1.780 13.284 49.913 1.00 0.00 C ATOM 152 C GLU A 11 -0.284 13.386 50.203 1.00 0.00 C ATOM 153 O GLU A 11 0.535 13.396 49.286 1.00 0.00 O ATOM 154 CB GLU A 11 -2.321 14.657 49.483 1.00 0.00 C ATOM 155 CG GLU A 11 -1.900 15.745 50.482 1.00 0.00 C ATOM 156 CD GLU A 11 -2.604 17.056 50.144 1.00 0.00 C ATOM 157 OE1 GLU A 11 -3.373 17.064 49.196 1.00 0.00 O ATOM 158 OE2 GLU A 11 -2.364 18.032 50.836 1.00 0.00 O1- ATOM 0 H GLU A 11 -3.201 13.435 51.455 1.00 0.00 H new ATOM 0 HA GLU A 11 -1.937 12.574 49.101 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -1.948 14.905 48.489 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -3.408 14.620 49.415 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -2.152 15.437 51.497 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -0.819 15.883 50.450 1.00 0.00 H new ATOM 165 N LEU A 12 0.060 13.461 51.485 1.00 0.00 N ATOM 166 CA LEU A 12 1.460 13.560 51.884 1.00 0.00 C ATOM 167 C LEU A 12 2.227 12.325 51.422 1.00 0.00 C ATOM 168 O LEU A 12 3.338 12.432 50.900 1.00 0.00 O ATOM 169 CB LEU A 12 1.555 13.699 53.409 1.00 0.00 C ATOM 170 CG LEU A 12 3.024 13.793 53.854 1.00 0.00 C ATOM 171 CD1 LEU A 12 3.696 15.021 53.216 1.00 0.00 C ATOM 172 CD2 LEU A 12 3.071 13.919 55.381 1.00 0.00 C ATOM 0 H LEU A 12 -0.604 13.455 52.259 1.00 0.00 H new ATOM 0 HA LEU A 12 1.902 14.440 51.417 1.00 0.00 H new ATOM 0 HB2 LEU A 12 1.014 14.588 53.733 1.00 0.00 H new ATOM 0 HB3 LEU A 12 1.078 12.844 53.888 1.00 0.00 H new ATOM 0 HG LEU A 12 3.557 12.897 53.535 1.00 0.00 H new ATOM 0 HD11 LEU A 12 4.736 15.076 53.539 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.658 14.934 52.130 1.00 0.00 H new ATOM 0 HD13 LEU A 12 3.172 15.925 53.526 1.00 0.00 H new ATOM 0 HD21 LEU A 12 4.108 13.986 55.709 1.00 0.00 H new ATOM 0 HD22 LEU A 12 2.534 14.816 55.689 1.00 0.00 H new ATOM 0 HD23 LEU A 12 2.604 13.044 55.833 1.00 0.00 H new ATOM 184 N GLU A 13 1.628 11.154 51.616 1.00 0.00 N ATOM 185 CA GLU A 13 2.264 9.905 51.215 1.00 0.00 C ATOM 186 C GLU A 13 2.493 9.895 49.707 1.00 0.00 C ATOM 187 O GLU A 13 3.550 9.475 49.232 1.00 0.00 O ATOM 188 CB GLU A 13 1.378 8.718 51.620 1.00 0.00 C ATOM 189 CG GLU A 13 2.053 7.394 51.238 1.00 0.00 C ATOM 190 CD GLU A 13 3.366 7.235 51.995 1.00 0.00 C ATOM 191 OE1 GLU A 13 3.523 7.884 53.015 1.00 0.00 O ATOM 192 OE2 GLU A 13 4.198 6.464 51.543 1.00 0.00 O1- ATOM 0 H GLU A 13 0.709 11.044 52.045 1.00 0.00 H new ATOM 0 HA GLU A 13 3.228 9.819 51.717 1.00 0.00 H new ATOM 0 HB2 GLU A 13 1.193 8.743 52.694 1.00 0.00 H new ATOM 0 HB3 GLU A 13 0.408 8.795 51.128 1.00 0.00 H new ATOM 0 HG2 GLU A 13 1.390 6.560 51.467 1.00 0.00 H new ATOM 0 HG3 GLU A 13 2.238 7.368 50.164 1.00 0.00 H new ATOM 199 N ASP A 14 1.498 10.359 48.959 1.00 0.00 N ATOM 200 CA ASP A 14 1.604 10.399 47.505 1.00 0.00 C ATOM 201 C ASP A 14 2.766 11.291 47.079 1.00 0.00 C ATOM 202 O ASP A 14 3.534 10.939 46.184 1.00 0.00 O ATOM 203 CB ASP A 14 0.302 10.932 46.900 1.00 0.00 C ATOM 204 CG ASP A 14 0.380 10.892 45.378 1.00 0.00 C ATOM 205 OD1 ASP A 14 1.452 10.609 44.866 1.00 0.00 O ATOM 206 OD2 ASP A 14 -0.632 11.146 44.747 1.00 0.00 O1- ATOM 0 H ASP A 14 0.616 10.710 49.331 1.00 0.00 H new ATOM 0 HA ASP A 14 1.784 9.386 47.144 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -0.541 10.333 47.245 1.00 0.00 H new ATOM 0 HB3 ASP A 14 0.126 11.954 47.237 1.00 0.00 H new ATOM 211 N LEU A 15 2.890 12.444 47.726 1.00 0.00 N ATOM 212 CA LEU A 15 3.965 13.376 47.407 1.00 0.00 C ATOM 213 C LEU A 15 5.321 12.726 47.661 1.00 0.00 C ATOM 214 O LEU A 15 6.238 12.837 46.847 1.00 0.00 O ATOM 215 CB LEU A 15 3.821 14.645 48.260 1.00 0.00 C ATOM 216 CG LEU A 15 4.953 15.639 47.950 1.00 0.00 C ATOM 217 CD1 LEU A 15 4.908 16.049 46.467 1.00 0.00 C ATOM 218 CD2 LEU A 15 4.776 16.881 48.830 1.00 0.00 C ATOM 0 H LEU A 15 2.264 12.755 48.469 1.00 0.00 H new ATOM 0 HA LEU A 15 3.900 13.644 46.352 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.856 15.113 48.065 1.00 0.00 H new ATOM 0 HB3 LEU A 15 3.840 14.382 49.318 1.00 0.00 H new ATOM 0 HG LEU A 15 5.915 15.169 48.155 1.00 0.00 H new ATOM 0 HD11 LEU A 15 5.714 16.753 46.259 1.00 0.00 H new ATOM 0 HD12 LEU A 15 5.028 15.165 45.841 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.950 16.520 46.249 1.00 0.00 H new ATOM 0 HD21 LEU A 15 5.574 17.593 48.619 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.812 17.343 48.618 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.817 16.592 49.880 1.00 0.00 H new ATOM 230 N LYS A 16 5.441 12.046 48.797 1.00 0.00 N ATOM 231 CA LYS A 16 6.688 11.378 49.152 1.00 0.00 C ATOM 232 C LYS A 16 7.039 10.323 48.106 1.00 0.00 C ATOM 233 O LYS A 16 8.192 10.212 47.687 1.00 0.00 O ATOM 234 CB LYS A 16 6.553 10.722 50.529 1.00 0.00 C ATOM 235 CG LYS A 16 7.874 10.056 50.925 1.00 0.00 C ATOM 236 CD LYS A 16 7.735 9.438 52.318 1.00 0.00 C ATOM 237 CE LYS A 16 9.052 8.767 52.713 1.00 0.00 C ATOM 238 NZ LYS A 16 8.918 8.174 54.073 1.00 0.00 N1+ ATOM 0 H LYS A 16 4.694 11.943 49.484 1.00 0.00 H new ATOM 0 HA LYS A 16 7.487 12.119 49.185 1.00 0.00 H new ATOM 0 HB2 LYS A 16 6.277 11.470 51.272 1.00 0.00 H new ATOM 0 HB3 LYS A 16 5.754 9.981 50.511 1.00 0.00 H new ATOM 0 HG2 LYS A 16 8.138 9.287 50.199 1.00 0.00 H new ATOM 0 HG3 LYS A 16 8.680 10.790 50.920 1.00 0.00 H new ATOM 0 HD2 LYS A 16 7.475 10.208 53.045 1.00 0.00 H new ATOM 0 HD3 LYS A 16 6.926 8.707 52.324 1.00 0.00 H new ATOM 0 HE2 LYS A 16 9.309 7.992 51.990 1.00 0.00 H new ATOM 0 HE3 LYS A 16 9.862 9.496 52.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 9.813 7.718 54.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 8.692 8.923 54.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 8.156 7.466 54.070 1.00 0.00 H new ATOM 252 N ASP A 17 6.041 9.552 47.691 1.00 0.00 N ATOM 253 CA ASP A 17 6.256 8.509 46.695 1.00 0.00 C ATOM 254 C ASP A 17 6.752 9.113 45.384 1.00 0.00 C ATOM 255 O ASP A 17 7.670 8.585 44.756 1.00 0.00 O ATOM 256 CB ASP A 17 4.953 7.748 46.447 1.00 0.00 C ATOM 257 CG ASP A 17 5.196 6.601 45.472 1.00 0.00 C ATOM 258 OD1 ASP A 17 6.287 6.532 44.930 1.00 0.00 O ATOM 259 OD2 ASP A 17 4.288 5.809 45.280 1.00 0.00 O1- ATOM 0 H ASP A 17 5.081 9.628 48.026 1.00 0.00 H new ATOM 0 HA ASP A 17 7.012 7.821 47.074 1.00 0.00 H new ATOM 0 HB2 ASP A 17 4.564 7.360 47.388 1.00 0.00 H new ATOM 0 HB3 ASP A 17 4.198 8.424 46.045 1.00 0.00 H new ATOM 264 N ALA A 18 6.141 10.220 44.980 1.00 0.00 N ATOM 265 CA ALA A 18 6.530 10.889 43.743 1.00 0.00 C ATOM 266 C ALA A 18 7.983 11.342 43.815 1.00 0.00 C ATOM 267 O ALA A 18 8.725 11.239 42.838 1.00 0.00 O ATOM 268 CB ALA A 18 5.626 12.098 43.495 1.00 0.00 C ATOM 0 H ALA A 18 5.379 10.672 45.486 1.00 0.00 H new ATOM 0 HA ALA A 18 6.422 10.183 42.920 1.00 0.00 H new ATOM 0 HB1 ALA A 18 5.924 12.591 42.570 1.00 0.00 H new ATOM 0 HB2 ALA A 18 4.591 11.767 43.413 1.00 0.00 H new ATOM 0 HB3 ALA A 18 5.719 12.798 44.325 1.00 0.00 H new ATOM 274 N GLU A 19 8.384 11.845 44.978 1.00 0.00 N ATOM 275 CA GLU A 19 9.752 12.313 45.168 1.00 0.00 C ATOM 276 C GLU A 19 10.732 11.157 44.977 1.00 0.00 C ATOM 277 O GLU A 19 11.786 11.323 44.363 1.00 0.00 O ATOM 278 CB GLU A 19 9.906 12.904 46.575 1.00 0.00 C ATOM 279 CG GLU A 19 11.332 13.438 46.777 1.00 0.00 C ATOM 280 CD GLU A 19 11.613 14.571 45.796 1.00 0.00 C ATOM 281 OE1 GLU A 19 10.661 15.152 45.302 1.00 0.00 O ATOM 282 OE2 GLU A 19 12.778 14.840 45.553 1.00 0.00 O1- ATOM 0 H GLU A 19 7.785 11.939 45.798 1.00 0.00 H new ATOM 0 HA GLU A 19 9.971 13.085 44.430 1.00 0.00 H new ATOM 0 HB2 GLU A 19 9.185 13.709 46.719 1.00 0.00 H new ATOM 0 HB3 GLU A 19 9.687 12.142 47.323 1.00 0.00 H new ATOM 0 HG2 GLU A 19 11.453 13.794 47.800 1.00 0.00 H new ATOM 0 HG3 GLU A 19 12.053 12.634 46.632 1.00 0.00 H new ATOM 289 N LEU A 20 10.377 9.993 45.510 1.00 0.00 N ATOM 290 CA LEU A 20 11.234 8.818 45.393 1.00 0.00 C ATOM 291 C LEU A 20 11.434 8.449 43.926 1.00 0.00 C ATOM 292 O LEU A 20 12.547 8.141 43.501 1.00 0.00 O ATOM 293 CB LEU A 20 10.603 7.641 46.151 1.00 0.00 C ATOM 294 CG LEU A 20 11.482 6.386 46.035 1.00 0.00 C ATOM 295 CD1 LEU A 20 12.873 6.653 46.635 1.00 0.00 C ATOM 296 CD2 LEU A 20 10.808 5.238 46.794 1.00 0.00 C ATOM 0 H LEU A 20 9.509 9.838 46.023 1.00 0.00 H new ATOM 0 HA LEU A 20 12.207 9.046 45.828 1.00 0.00 H new ATOM 0 HB2 LEU A 20 10.474 7.905 47.201 1.00 0.00 H new ATOM 0 HB3 LEU A 20 9.611 7.434 45.750 1.00 0.00 H new ATOM 0 HG LEU A 20 11.600 6.122 44.984 1.00 0.00 H new ATOM 0 HD11 LEU A 20 13.486 5.756 46.546 1.00 0.00 H new ATOM 0 HD12 LEU A 20 13.350 7.473 46.098 1.00 0.00 H new ATOM 0 HD13 LEU A 20 12.770 6.920 47.687 1.00 0.00 H new ATOM 0 HD21 LEU A 20 11.423 4.341 46.719 1.00 0.00 H new ATOM 0 HD22 LEU A 20 10.694 5.513 47.843 1.00 0.00 H new ATOM 0 HD23 LEU A 20 9.827 5.042 46.361 1.00 0.00 H new ATOM 308 N LYS A 21 10.352 8.481 43.156 1.00 0.00 N ATOM 309 CA LYS A 21 10.424 8.145 41.739 1.00 0.00 C ATOM 310 C LYS A 21 11.343 9.115 41.004 1.00 0.00 C ATOM 311 O LYS A 21 12.111 8.715 40.129 1.00 0.00 O ATOM 312 CB LYS A 21 9.028 8.192 41.117 1.00 0.00 C ATOM 313 CG LYS A 21 8.188 7.031 41.654 1.00 0.00 C ATOM 314 CD LYS A 21 6.792 7.079 41.032 1.00 0.00 C ATOM 315 CE LYS A 21 5.946 5.930 41.587 1.00 0.00 C ATOM 316 NZ LYS A 21 6.557 4.628 41.193 1.00 0.00 N1+ ATOM 0 H LYS A 21 9.421 8.734 43.486 1.00 0.00 H new ATOM 0 HA LYS A 21 10.828 7.137 41.646 1.00 0.00 H new ATOM 0 HB2 LYS A 21 8.546 9.141 41.351 1.00 0.00 H new ATOM 0 HB3 LYS A 21 9.100 8.130 40.031 1.00 0.00 H new ATOM 0 HG2 LYS A 21 8.669 6.081 41.420 1.00 0.00 H new ATOM 0 HG3 LYS A 21 8.116 7.092 42.740 1.00 0.00 H new ATOM 0 HD2 LYS A 21 6.316 8.035 41.253 1.00 0.00 H new ATOM 0 HD3 LYS A 21 6.863 7.002 39.947 1.00 0.00 H new ATOM 0 HE2 LYS A 21 5.884 6.001 42.673 1.00 0.00 H new ATOM 0 HE3 LYS A 21 4.927 5.996 41.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 5.843 3.875 41.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 6.904 4.689 40.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 7.351 4.410 41.829 1.00 0.00 H new ATOM 330 N ARG A 22 11.261 10.391 41.366 1.00 0.00 N ATOM 331 CA ARG A 22 12.093 11.408 40.732 1.00 0.00 C ATOM 332 C ARG A 22 13.570 11.134 41.001 1.00 0.00 C ATOM 333 O ARG A 22 14.413 11.309 40.122 1.00 0.00 O ATOM 334 CB ARG A 22 11.723 12.793 41.266 1.00 0.00 C ATOM 335 CG ARG A 22 10.337 13.185 40.754 1.00 0.00 C ATOM 336 CD ARG A 22 9.902 14.497 41.405 1.00 0.00 C ATOM 337 NE ARG A 22 10.806 15.575 41.021 1.00 0.00 N ATOM 338 CZ ARG A 22 10.729 16.773 41.592 1.00 0.00 C ATOM 339 NH1 ARG A 22 11.550 17.721 41.230 1.00 0.00 N1+ ATOM 340 NH2 ARG A 22 9.835 17.001 42.515 1.00 0.00 N ATOM 0 H ARG A 22 10.633 10.744 42.088 1.00 0.00 H new ATOM 0 HA ARG A 22 11.919 11.376 39.657 1.00 0.00 H new ATOM 0 HB2 ARG A 22 11.731 12.788 42.356 1.00 0.00 H new ATOM 0 HB3 ARG A 22 12.462 13.527 40.945 1.00 0.00 H new ATOM 0 HG2 ARG A 22 10.356 13.294 39.670 1.00 0.00 H new ATOM 0 HG3 ARG A 22 9.618 12.398 40.982 1.00 0.00 H new ATOM 0 HD2 ARG A 22 8.884 14.741 41.102 1.00 0.00 H new ATOM 0 HD3 ARG A 22 9.894 14.388 42.490 1.00 0.00 H new ATOM 0 HE ARG A 22 11.510 15.407 40.302 1.00 0.00 H new ATOM 0 HH11 ARG A 22 12.250 17.542 40.510 1.00 0.00 H new ATOM 0 HH12 ARG A 22 11.492 18.641 41.667 1.00 0.00 H new ATOM 0 HH21 ARG A 22 9.195 16.260 42.799 1.00 0.00 H new ATOM 0 HH22 ARG A 22 9.777 17.921 42.953 1.00 0.00 H new ATOM 354 N LEU A 23 13.875 10.705 42.221 1.00 0.00 N ATOM 355 CA LEU A 23 15.254 10.410 42.594 1.00 0.00 C ATOM 356 C LEU A 23 15.812 9.291 41.719 1.00 0.00 C ATOM 357 O LEU A 23 16.941 9.371 41.238 1.00 0.00 O ATOM 358 CB LEU A 23 15.315 10.004 44.074 1.00 0.00 C ATOM 359 CG LEU A 23 16.759 9.674 44.486 1.00 0.00 C ATOM 360 CD1 LEU A 23 17.663 10.903 44.286 1.00 0.00 C ATOM 361 CD2 LEU A 23 16.770 9.264 45.963 1.00 0.00 C ATOM 0 H LEU A 23 13.192 10.555 42.963 1.00 0.00 H new ATOM 0 HA LEU A 23 15.860 11.303 42.443 1.00 0.00 H new ATOM 0 HB2 LEU A 23 14.930 10.813 44.695 1.00 0.00 H new ATOM 0 HB3 LEU A 23 14.675 9.138 44.246 1.00 0.00 H new ATOM 0 HG LEU A 23 17.135 8.859 43.868 1.00 0.00 H new ATOM 0 HD11 LEU A 23 18.683 10.656 44.581 1.00 0.00 H new ATOM 0 HD12 LEU A 23 17.650 11.197 43.237 1.00 0.00 H new ATOM 0 HD13 LEU A 23 17.297 11.727 44.898 1.00 0.00 H new ATOM 0 HD21 LEU A 23 17.790 9.027 46.267 1.00 0.00 H new ATOM 0 HD22 LEU A 23 16.391 10.085 46.571 1.00 0.00 H new ATOM 0 HD23 LEU A 23 16.137 8.388 46.102 1.00 0.00 H new ATOM 373 N ASN A 24 15.012 8.248 41.521 1.00 0.00 N ATOM 374 CA ASN A 24 15.434 7.115 40.704 1.00 0.00 C ATOM 375 C ASN A 24 15.723 7.559 39.273 1.00 0.00 C ATOM 376 O ASN A 24 16.688 7.107 38.656 1.00 0.00 O ATOM 377 CB ASN A 24 14.342 6.043 40.696 1.00 0.00 C ATOM 378 CG ASN A 24 14.819 4.819 39.920 1.00 0.00 C ATOM 379 OD1 ASN A 24 15.835 4.218 40.270 1.00 0.00 O ATOM 380 ND2 ASN A 24 14.143 4.413 38.881 1.00 0.00 N ATOM 0 H ASN A 24 14.074 8.163 41.912 1.00 0.00 H new ATOM 0 HA ASN A 24 16.347 6.703 41.134 1.00 0.00 H new ATOM 0 HB2 ASN A 24 14.091 5.761 41.718 1.00 0.00 H new ATOM 0 HB3 ASN A 24 13.434 6.440 40.243 1.00 0.00 H new ATOM 0 HD21 ASN A 24 14.456 3.596 38.357 1.00 0.00 H new ATOM 0 HD22 ASN A 24 13.302 4.913 38.593 1.00 0.00 H new ATOM 387 N GLU A 25 14.878 8.442 38.751 1.00 0.00 N ATOM 388 CA GLU A 25 15.048 8.937 37.389 1.00 0.00 C ATOM 389 C GLU A 25 16.384 9.665 37.253 1.00 0.00 C ATOM 390 O GLU A 25 17.066 9.537 36.237 1.00 0.00 O ATOM 391 CB GLU A 25 13.897 9.885 37.031 1.00 0.00 C ATOM 392 CG GLU A 25 14.030 10.357 35.576 1.00 0.00 C ATOM 393 CD GLU A 25 13.903 9.169 34.627 1.00 0.00 C ATOM 394 OE1 GLU A 25 13.367 8.155 35.044 1.00 0.00 O ATOM 395 OE2 GLU A 25 14.347 9.289 33.496 1.00 0.00 O1- ATOM 0 H GLU A 25 14.074 8.828 39.246 1.00 0.00 H new ATOM 0 HA GLU A 25 15.040 8.089 36.704 1.00 0.00 H new ATOM 0 HB2 GLU A 25 12.942 9.378 37.170 1.00 0.00 H new ATOM 0 HB3 GLU A 25 13.902 10.744 37.701 1.00 0.00 H new ATOM 0 HG2 GLU A 25 13.259 11.095 35.353 1.00 0.00 H new ATOM 0 HG3 GLU A 25 14.993 10.847 35.431 1.00 0.00 H new ATOM 402 N GLU A 26 16.743 10.432 38.280 1.00 0.00 N ATOM 403 CA GLU A 26 17.996 11.183 38.269 1.00 0.00 C ATOM 404 C GLU A 26 18.037 12.141 37.081 1.00 0.00 C ATOM 405 O GLU A 26 18.975 12.124 36.287 1.00 0.00 O ATOM 406 CB GLU A 26 19.192 10.227 38.199 1.00 0.00 C ATOM 407 CG GLU A 26 19.182 9.303 39.417 1.00 0.00 C ATOM 408 CD GLU A 26 20.381 8.362 39.366 1.00 0.00 C ATOM 409 OE1 GLU A 26 21.109 8.414 38.389 1.00 0.00 O ATOM 410 OE2 GLU A 26 20.552 7.602 40.305 1.00 0.00 O1- ATOM 0 H GLU A 26 16.187 10.550 39.127 1.00 0.00 H new ATOM 0 HA GLU A 26 18.053 11.760 39.192 1.00 0.00 H new ATOM 0 HB2 GLU A 26 19.147 9.638 37.283 1.00 0.00 H new ATOM 0 HB3 GLU A 26 20.122 10.794 38.168 1.00 0.00 H new ATOM 0 HG2 GLU A 26 19.211 9.894 40.333 1.00 0.00 H new ATOM 0 HG3 GLU A 26 18.257 8.727 39.439 1.00 0.00 H new ATOM 417 N ARG A 27 17.006 12.974 36.968 1.00 0.00 N ATOM 418 CA ARG A 27 16.924 13.937 35.875 1.00 0.00 C ATOM 419 C ARG A 27 18.091 14.919 35.929 1.00 0.00 C ATOM 420 O ARG A 27 18.638 15.305 34.896 1.00 0.00 O ATOM 421 CB ARG A 27 15.607 14.713 35.959 1.00 0.00 C ATOM 422 CG ARG A 27 14.438 13.780 35.638 1.00 0.00 C ATOM 423 CD ARG A 27 13.120 14.529 35.829 1.00 0.00 C ATOM 424 NE ARG A 27 13.030 15.642 34.890 1.00 0.00 N ATOM 425 CZ ARG A 27 12.051 16.538 34.977 1.00 0.00 C ATOM 426 NH1 ARG A 27 11.993 17.524 34.125 1.00 0.00 N1+ ATOM 427 NH2 ARG A 27 11.150 16.430 35.914 1.00 0.00 N ATOM 0 H ARG A 27 16.219 13.001 37.617 1.00 0.00 H new ATOM 0 HA ARG A 27 16.968 13.388 34.935 1.00 0.00 H new ATOM 0 HB2 ARG A 27 15.485 15.135 36.957 1.00 0.00 H new ATOM 0 HB3 ARG A 27 15.621 15.549 35.259 1.00 0.00 H new ATOM 0 HG2 ARG A 27 14.518 13.419 34.613 1.00 0.00 H new ATOM 0 HG3 ARG A 27 14.469 12.905 36.287 1.00 0.00 H new ATOM 0 HD2 ARG A 27 12.282 13.849 35.678 1.00 0.00 H new ATOM 0 HD3 ARG A 27 13.050 14.900 36.851 1.00 0.00 H new ATOM 0 HE ARG A 27 13.730 15.735 34.154 1.00 0.00 H new ATOM 0 HH11 ARG A 27 12.698 17.607 33.393 1.00 0.00 H new ATOM 0 HH12 ARG A 27 11.242 18.212 34.191 1.00 0.00 H new ATOM 0 HH21 ARG A 27 11.196 15.659 36.580 1.00 0.00 H new ATOM 0 HH22 ARG A 27 10.399 17.117 35.981 1.00 0.00 H new ATOM 441 N HIS A 28 18.459 15.329 37.138 1.00 0.00 N ATOM 442 CA HIS A 28 19.555 16.276 37.313 1.00 0.00 C ATOM 443 C HIS A 28 20.864 15.688 36.790 1.00 0.00 C ATOM 444 O HIS A 28 21.667 16.391 36.177 1.00 0.00 O ATOM 445 CB HIS A 28 19.712 16.624 38.795 1.00 0.00 C ATOM 446 CG HIS A 28 18.543 17.455 39.257 1.00 0.00 C ATOM 447 ND1 HIS A 28 18.379 17.815 40.586 1.00 0.00 N ATOM 448 CD2 HIS A 28 17.469 17.997 38.590 1.00 0.00 C ATOM 449 CE1 HIS A 28 17.250 18.540 40.675 1.00 0.00 C ATOM 450 NE2 HIS A 28 16.656 18.681 39.489 1.00 0.00 N ATOM 0 H HIS A 28 18.018 15.023 38.006 1.00 0.00 H new ATOM 0 HA HIS A 28 19.322 17.178 36.747 1.00 0.00 H new ATOM 0 HB2 HIS A 28 19.776 15.711 39.387 1.00 0.00 H new ATOM 0 HB3 HIS A 28 20.642 17.171 38.952 1.00 0.00 H new ATOM 0 HD2 HIS A 28 17.285 17.906 37.530 1.00 0.00 H new ATOM 0 HE1 HIS A 28 16.870 18.958 41.596 1.00 0.00 H new ATOM 0 HE2 HIS A 28 15.792 19.182 39.285 1.00 0.00 H new ATOM 458 N ASP A 29 21.074 14.400 37.037 1.00 0.00 N ATOM 459 CA ASP A 29 22.293 13.738 36.584 1.00 0.00 C ATOM 460 C ASP A 29 22.400 13.797 35.063 1.00 0.00 C ATOM 461 O ASP A 29 23.470 14.063 34.517 1.00 0.00 O ATOM 462 CB ASP A 29 22.295 12.278 37.038 1.00 0.00 C ATOM 463 CG ASP A 29 23.615 11.615 36.656 1.00 0.00 C ATOM 464 OD1 ASP A 29 24.380 12.236 35.937 1.00 0.00 O ATOM 465 OD2 ASP A 29 23.840 10.497 37.089 1.00 0.00 O1- ATOM 0 H ASP A 29 20.424 13.798 37.543 1.00 0.00 H new ATOM 0 HA ASP A 29 23.148 14.256 37.020 1.00 0.00 H new ATOM 0 HB2 ASP A 29 22.150 12.224 38.117 1.00 0.00 H new ATOM 0 HB3 ASP A 29 21.464 11.744 36.578 1.00 0.00 H new ATOM 470 N HIS A 30 21.283 13.548 34.386 1.00 0.00 N ATOM 471 CA HIS A 30 21.264 13.576 32.927 1.00 0.00 C ATOM 472 C HIS A 30 21.660 14.958 32.413 1.00 0.00 C ATOM 473 O HIS A 30 22.480 15.079 31.503 1.00 0.00 O ATOM 474 CB HIS A 30 19.867 13.214 32.414 1.00 0.00 C ATOM 475 CG HIS A 30 19.850 13.293 30.912 1.00 0.00 C ATOM 476 ND1 HIS A 30 20.486 12.354 30.116 1.00 0.00 N ATOM 477 CD2 HIS A 30 19.275 14.191 30.048 1.00 0.00 C ATOM 478 CE1 HIS A 30 20.282 12.704 28.833 1.00 0.00 C ATOM 479 NE2 HIS A 30 19.549 13.817 28.735 1.00 0.00 N ATOM 0 H HIS A 30 20.387 13.326 34.819 1.00 0.00 H new ATOM 0 HA HIS A 30 21.984 12.845 32.558 1.00 0.00 H new ATOM 0 HB2 HIS A 30 19.597 12.209 32.739 1.00 0.00 H new ATOM 0 HB3 HIS A 30 19.126 13.895 32.833 1.00 0.00 H new ATOM 0 HD2 HIS A 30 18.698 15.056 30.342 1.00 0.00 H new ATOM 0 HE1 HIS A 30 20.664 12.153 27.986 1.00 0.00 H new ATOM 0 HE2 HIS A 30 19.254 14.291 27.881 1.00 0.00 H new ATOM 487 N ASP A 31 21.075 15.996 33.001 1.00 0.00 N ATOM 488 CA ASP A 31 21.377 17.362 32.592 1.00 0.00 C ATOM 489 C ASP A 31 22.852 17.676 32.821 1.00 0.00 C ATOM 490 O ASP A 31 23.491 18.337 32.003 1.00 0.00 O ATOM 491 CB ASP A 31 20.515 18.347 33.382 1.00 0.00 C ATOM 492 CG ASP A 31 19.064 18.260 32.920 1.00 0.00 C ATOM 493 OD1 ASP A 31 18.828 17.662 31.882 1.00 0.00 O ATOM 494 OD2 ASP A 31 18.210 18.794 33.609 1.00 0.00 O1- ATOM 0 H ASP A 31 20.394 15.919 33.757 1.00 0.00 H new ATOM 0 HA ASP A 31 21.157 17.460 31.529 1.00 0.00 H new ATOM 0 HB2 ASP A 31 20.580 18.126 34.447 1.00 0.00 H new ATOM 0 HB3 ASP A 31 20.889 19.362 33.244 1.00 0.00 H new ATOM 499 N LYS A 32 23.387 17.194 33.937 1.00 0.00 N ATOM 500 CA LYS A 32 24.791 17.426 34.263 1.00 0.00 C ATOM 501 C LYS A 32 25.693 16.789 33.210 1.00 0.00 C ATOM 502 O LYS A 32 26.711 17.362 32.823 1.00 0.00 O ATOM 503 CB LYS A 32 25.119 16.844 35.646 1.00 0.00 C ATOM 504 CG LYS A 32 24.493 17.711 36.761 1.00 0.00 C ATOM 505 CD LYS A 32 25.423 18.883 37.131 1.00 0.00 C ATOM 506 CE LYS A 32 26.503 18.419 38.120 1.00 0.00 C ATOM 507 NZ LYS A 32 27.298 19.597 38.568 1.00 0.00 N1+ ATOM 0 H LYS A 32 22.875 16.644 34.627 1.00 0.00 H new ATOM 0 HA LYS A 32 24.968 18.501 34.278 1.00 0.00 H new ATOM 0 HB2 LYS A 32 24.742 15.824 35.716 1.00 0.00 H new ATOM 0 HB3 LYS A 32 26.200 16.795 35.779 1.00 0.00 H new ATOM 0 HG2 LYS A 32 23.529 18.097 36.430 1.00 0.00 H new ATOM 0 HG3 LYS A 32 24.305 17.098 37.642 1.00 0.00 H new ATOM 0 HD2 LYS A 32 25.892 19.281 36.231 1.00 0.00 H new ATOM 0 HD3 LYS A 32 24.841 19.692 37.572 1.00 0.00 H new ATOM 0 HE2 LYS A 32 26.041 17.930 38.978 1.00 0.00 H new ATOM 0 HE3 LYS A 32 27.155 17.684 37.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 28.031 19.287 39.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 27.749 20.045 37.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 26.670 20.282 39.034 1.00 0.00 H new ATOM 521 N ARG A 33 25.312 15.602 32.752 1.00 0.00 N ATOM 522 CA ARG A 33 26.095 14.896 31.743 1.00 0.00 C ATOM 523 C ARG A 33 26.191 15.729 30.466 1.00 0.00 C ATOM 524 O ARG A 33 27.264 15.860 29.878 1.00 0.00 O ATOM 525 CB ARG A 33 25.445 13.535 31.445 1.00 0.00 C ATOM 526 CG ARG A 33 26.174 12.790 30.309 1.00 0.00 C ATOM 527 CD ARG A 33 27.631 12.502 30.689 1.00 0.00 C ATOM 528 NE ARG A 33 28.227 11.589 29.721 1.00 0.00 N ATOM 529 CZ ARG A 33 29.524 11.299 29.758 1.00 0.00 C ATOM 530 NH1 ARG A 33 30.034 10.478 28.882 1.00 0.00 N1+ ATOM 531 NH2 ARG A 33 30.287 11.836 30.671 1.00 0.00 N ATOM 0 H ARG A 33 24.473 15.111 33.060 1.00 0.00 H new ATOM 0 HA ARG A 33 27.104 14.734 32.124 1.00 0.00 H new ATOM 0 HB2 ARG A 33 25.454 12.922 32.346 1.00 0.00 H new ATOM 0 HB3 ARG A 33 24.400 13.683 31.171 1.00 0.00 H new ATOM 0 HG2 ARG A 33 25.659 11.854 30.093 1.00 0.00 H new ATOM 0 HG3 ARG A 33 26.143 13.388 29.398 1.00 0.00 H new ATOM 0 HD2 ARG A 33 28.198 13.432 30.721 1.00 0.00 H new ATOM 0 HD3 ARG A 33 27.676 12.067 31.687 1.00 0.00 H new ATOM 0 HE ARG A 33 27.639 11.166 29.003 1.00 0.00 H new ATOM 0 HH11 ARG A 33 29.438 10.059 28.169 1.00 0.00 H new ATOM 0 HH12 ARG A 33 31.029 10.256 28.910 1.00 0.00 H new ATOM 0 HH21 ARG A 33 29.888 12.478 31.356 1.00 0.00 H new ATOM 0 HH22 ARG A 33 31.282 11.614 30.699 1.00 0.00 H new ATOM 545 N GLU A 34 25.062 16.295 30.050 1.00 0.00 N ATOM 546 CA GLU A 34 25.036 17.120 28.845 1.00 0.00 C ATOM 547 C GLU A 34 25.905 18.360 29.028 1.00 0.00 C ATOM 548 O GLU A 34 26.605 18.783 28.108 1.00 0.00 O ATOM 549 CB GLU A 34 23.600 17.540 28.509 1.00 0.00 C ATOM 550 CG GLU A 34 22.799 16.327 28.019 1.00 0.00 C ATOM 551 CD GLU A 34 23.303 15.888 26.649 1.00 0.00 C ATOM 552 OE1 GLU A 34 23.990 16.671 26.014 1.00 0.00 O ATOM 553 OE2 GLU A 34 22.995 14.776 26.255 1.00 0.00 O1- ATOM 0 H GLU A 34 24.163 16.200 30.522 1.00 0.00 H new ATOM 0 HA GLU A 34 25.432 16.527 28.021 1.00 0.00 H new ATOM 0 HB2 GLU A 34 23.123 17.970 29.390 1.00 0.00 H new ATOM 0 HB3 GLU A 34 23.609 18.314 27.742 1.00 0.00 H new ATOM 0 HG2 GLU A 34 22.894 15.507 28.730 1.00 0.00 H new ATOM 0 HG3 GLU A 34 21.740 16.579 27.962 1.00 0.00 H new ATOM 560 N ALA A 35 25.853 18.938 30.223 1.00 0.00 N ATOM 561 CA ALA A 35 26.640 20.130 30.520 1.00 0.00 C ATOM 562 C ALA A 35 28.130 19.838 30.383 1.00 0.00 C ATOM 563 O ALA A 35 28.891 20.662 29.875 1.00 0.00 O ATOM 564 CB ALA A 35 26.342 20.610 31.941 1.00 0.00 C ATOM 0 H ALA A 35 25.279 18.604 30.997 1.00 0.00 H new ATOM 0 HA ALA A 35 26.368 20.909 29.807 1.00 0.00 H new ATOM 0 HB1 ALA A 35 26.933 21.500 32.156 1.00 0.00 H new ATOM 0 HB2 ALA A 35 25.282 20.848 32.030 1.00 0.00 H new ATOM 0 HB3 ALA A 35 26.598 19.824 32.652 1.00 0.00 H new ATOM 570 N GLU A 36 28.541 18.661 30.843 1.00 0.00 N ATOM 571 CA GLU A 36 29.944 18.271 30.769 1.00 0.00 C ATOM 572 C GLU A 36 30.406 18.199 29.314 1.00 0.00 C ATOM 573 O GLU A 36 31.506 18.642 28.981 1.00 0.00 O ATOM 574 CB GLU A 36 30.139 16.907 31.446 1.00 0.00 C ATOM 575 CG GLU A 36 31.623 16.515 31.441 1.00 0.00 C ATOM 576 CD GLU A 36 32.444 17.537 32.223 1.00 0.00 C ATOM 577 OE1 GLU A 36 32.908 18.486 31.614 1.00 0.00 O ATOM 578 OE2 GLU A 36 32.596 17.354 33.420 1.00 0.00 O1- ATOM 0 H GLU A 36 27.928 17.965 31.268 1.00 0.00 H new ATOM 0 HA GLU A 36 30.542 19.021 31.286 1.00 0.00 H new ATOM 0 HB2 GLU A 36 29.770 16.946 32.471 1.00 0.00 H new ATOM 0 HB3 GLU A 36 29.554 16.149 30.926 1.00 0.00 H new ATOM 0 HG2 GLU A 36 31.746 15.526 31.882 1.00 0.00 H new ATOM 0 HG3 GLU A 36 31.987 16.455 30.415 1.00 0.00 H new ATOM 585 N ARG A 37 29.565 17.632 28.456 1.00 0.00 N ATOM 586 CA ARG A 37 29.905 17.502 27.043 1.00 0.00 C ATOM 587 C ARG A 37 30.080 18.871 26.395 1.00 0.00 C ATOM 588 O ARG A 37 30.990 19.075 25.591 1.00 0.00 O ATOM 589 CB ARG A 37 28.808 16.727 26.311 1.00 0.00 C ATOM 590 CG ARG A 37 28.824 15.267 26.764 1.00 0.00 C ATOM 591 CD ARG A 37 27.679 14.510 26.092 1.00 0.00 C ATOM 592 NE ARG A 37 27.856 14.512 24.643 1.00 0.00 N ATOM 593 CZ ARG A 37 28.670 13.647 24.047 1.00 0.00 C ATOM 594 NH1 ARG A 37 28.810 13.670 22.750 1.00 0.00 N1+ ATOM 595 NH2 ARG A 37 29.329 12.777 24.760 1.00 0.00 N ATOM 0 H ARG A 37 28.651 17.258 28.710 1.00 0.00 H new ATOM 0 HA ARG A 37 30.848 16.960 26.970 1.00 0.00 H new ATOM 0 HB2 ARG A 37 27.835 17.172 26.517 1.00 0.00 H new ATOM 0 HB3 ARG A 37 28.964 16.786 25.234 1.00 0.00 H new ATOM 0 HG2 ARG A 37 29.778 14.806 26.508 1.00 0.00 H new ATOM 0 HG3 ARG A 37 28.724 15.211 27.848 1.00 0.00 H new ATOM 0 HD2 ARG A 37 27.646 13.485 26.460 1.00 0.00 H new ATOM 0 HD3 ARG A 37 26.726 14.973 26.350 1.00 0.00 H new ATOM 0 HE ARG A 37 27.345 15.190 24.077 1.00 0.00 H new ATOM 0 HH11 ARG A 37 28.295 14.352 22.193 1.00 0.00 H new ATOM 0 HH12 ARG A 37 29.435 13.006 22.293 1.00 0.00 H new ATOM 0 HH21 ARG A 37 29.219 12.761 25.774 1.00 0.00 H new ATOM 0 HH22 ARG A 37 29.954 12.112 24.304 1.00 0.00 H new ATOM 609 N LYS A 38 29.206 19.809 26.749 1.00 0.00 N ATOM 610 CA LYS A 38 29.280 21.154 26.189 1.00 0.00 C ATOM 611 C LYS A 38 30.586 21.834 26.593 1.00 0.00 C ATOM 612 O LYS A 38 31.202 22.540 25.794 1.00 0.00 O ATOM 613 CB LYS A 38 28.093 21.994 26.668 1.00 0.00 C ATOM 614 CG LYS A 38 26.803 21.490 26.005 1.00 0.00 C ATOM 615 CD LYS A 38 25.643 22.456 26.283 1.00 0.00 C ATOM 616 CE LYS A 38 25.199 22.355 27.745 1.00 0.00 C ATOM 617 NZ LYS A 38 23.972 23.176 27.946 1.00 0.00 N1+ ATOM 0 H LYS A 38 28.446 19.665 27.414 1.00 0.00 H new ATOM 0 HA LYS A 38 29.247 21.073 25.103 1.00 0.00 H new ATOM 0 HB2 LYS A 38 28.005 21.931 27.753 1.00 0.00 H new ATOM 0 HB3 LYS A 38 28.254 23.043 26.421 1.00 0.00 H new ATOM 0 HG2 LYS A 38 26.954 21.393 24.930 1.00 0.00 H new ATOM 0 HG3 LYS A 38 26.556 20.498 26.383 1.00 0.00 H new ATOM 0 HD2 LYS A 38 25.951 23.477 26.060 1.00 0.00 H new ATOM 0 HD3 LYS A 38 24.805 22.226 25.626 1.00 0.00 H new ATOM 0 HE2 LYS A 38 25.001 21.315 28.006 1.00 0.00 H new ATOM 0 HE3 LYS A 38 25.995 22.703 28.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 23.668 23.109 28.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 24.176 24.169 27.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 23.214 22.824 27.327 1.00 0.00 H new ATOM 631 N ALA A 39 30.999 21.620 27.837 1.00 0.00 N ATOM 632 CA ALA A 39 32.232 22.220 28.336 1.00 0.00 C ATOM 633 C ALA A 39 33.431 21.741 27.525 1.00 0.00 C ATOM 634 O ALA A 39 34.333 22.519 27.214 1.00 0.00 O ATOM 635 CB ALA A 39 32.431 21.858 29.808 1.00 0.00 C ATOM 0 H ALA A 39 30.503 21.040 28.514 1.00 0.00 H new ATOM 0 HA ALA A 39 32.151 23.302 28.236 1.00 0.00 H new ATOM 0 HB1 ALA A 39 33.354 22.310 30.172 1.00 0.00 H new ATOM 0 HB2 ALA A 39 31.589 22.231 30.391 1.00 0.00 H new ATOM 0 HB3 ALA A 39 32.492 20.775 29.911 1.00 0.00 H new ATOM 641 N LEU A 40 33.436 20.456 27.184 1.00 0.00 N ATOM 642 CA LEU A 40 34.531 19.885 26.410 1.00 0.00 C ATOM 643 C LEU A 40 34.609 20.536 25.033 1.00 0.00 C ATOM 644 O LEU A 40 35.696 20.807 24.525 1.00 0.00 O ATOM 645 CB LEU A 40 34.327 18.375 26.250 1.00 0.00 C ATOM 646 CG LEU A 40 34.502 17.671 27.604 1.00 0.00 C ATOM 647 CD1 LEU A 40 34.075 16.206 27.461 1.00 0.00 C ATOM 648 CD2 LEU A 40 35.973 17.741 28.069 1.00 0.00 C ATOM 0 H LEU A 40 32.699 19.795 27.430 1.00 0.00 H new ATOM 0 HA LEU A 40 35.463 20.072 26.943 1.00 0.00 H new ATOM 0 HB2 LEU A 40 33.332 18.175 25.854 1.00 0.00 H new ATOM 0 HB3 LEU A 40 35.043 17.978 25.530 1.00 0.00 H new ATOM 0 HG LEU A 40 33.883 18.171 28.349 1.00 0.00 H new ATOM 0 HD11 LEU A 40 34.195 15.697 28.417 1.00 0.00 H new ATOM 0 HD12 LEU A 40 33.030 16.160 27.154 1.00 0.00 H new ATOM 0 HD13 LEU A 40 34.695 15.718 26.709 1.00 0.00 H new ATOM 0 HD21 LEU A 40 36.075 17.237 29.030 1.00 0.00 H new ATOM 0 HD22 LEU A 40 36.611 17.252 27.333 1.00 0.00 H new ATOM 0 HD23 LEU A 40 36.272 18.784 28.173 1.00 0.00 H new ATOM 660 N GLU A 41 33.447 20.787 24.437 1.00 0.00 N ATOM 661 CA GLU A 41 33.387 21.409 23.116 1.00 0.00 C ATOM 662 C GLU A 41 34.024 22.795 23.158 1.00 0.00 C ATOM 663 O GLU A 41 34.720 23.198 22.225 1.00 0.00 O ATOM 664 CB GLU A 41 31.926 21.515 22.659 1.00 0.00 C ATOM 665 CG GLU A 41 31.850 22.124 21.252 1.00 0.00 C ATOM 666 CD GLU A 41 32.553 21.216 20.247 1.00 0.00 C ATOM 667 OE1 GLU A 41 32.714 20.045 20.547 1.00 0.00 O ATOM 668 OE2 GLU A 41 32.922 21.706 19.192 1.00 0.00 O1- ATOM 0 H GLU A 41 32.537 20.571 24.845 1.00 0.00 H new ATOM 0 HA GLU A 41 33.939 20.792 22.407 1.00 0.00 H new ATOM 0 HB2 GLU A 41 31.465 20.527 22.660 1.00 0.00 H new ATOM 0 HB3 GLU A 41 31.362 22.131 23.360 1.00 0.00 H new ATOM 0 HG2 GLU A 41 30.808 22.261 20.963 1.00 0.00 H new ATOM 0 HG3 GLU A 41 32.314 23.110 21.249 1.00 0.00 H new ATOM 675 N ASP A 42 33.774 23.519 24.241 1.00 0.00 N ATOM 676 CA ASP A 42 34.318 24.863 24.399 1.00 0.00 C ATOM 677 C ASP A 42 35.843 24.836 24.370 1.00 0.00 C ATOM 678 O ASP A 42 36.478 25.745 23.834 1.00 0.00 O ATOM 679 CB ASP A 42 33.842 25.466 25.721 1.00 0.00 C ATOM 680 CG ASP A 42 32.358 25.805 25.637 1.00 0.00 C ATOM 681 OD1 ASP A 42 31.831 25.803 24.536 1.00 0.00 O ATOM 682 OD2 ASP A 42 31.769 26.061 26.674 1.00 0.00 O1- ATOM 0 H ASP A 42 33.200 23.200 25.021 1.00 0.00 H new ATOM 0 HA ASP A 42 33.963 25.476 23.570 1.00 0.00 H new ATOM 0 HB2 ASP A 42 34.017 24.762 26.535 1.00 0.00 H new ATOM 0 HB3 ASP A 42 34.416 26.364 25.948 1.00 0.00 H new ATOM 687 N LYS A 43 36.428 23.798 24.960 1.00 0.00 N ATOM 688 CA LYS A 43 37.881 23.681 25.000 1.00 0.00 C ATOM 689 C LYS A 43 38.461 23.661 23.587 1.00 0.00 C ATOM 690 O LYS A 43 39.440 24.351 23.303 1.00 0.00 O ATOM 691 CB LYS A 43 38.276 22.400 25.743 1.00 0.00 C ATOM 692 CG LYS A 43 39.803 22.289 25.826 1.00 0.00 C ATOM 693 CD LYS A 43 40.180 21.026 26.602 1.00 0.00 C ATOM 694 CE LYS A 43 41.704 20.910 26.679 1.00 0.00 C ATOM 695 NZ LYS A 43 42.070 19.685 27.444 1.00 0.00 N1+ ATOM 0 H LYS A 43 35.925 23.034 25.412 1.00 0.00 H new ATOM 0 HA LYS A 43 38.285 24.546 25.526 1.00 0.00 H new ATOM 0 HB2 LYS A 43 37.849 22.406 26.746 1.00 0.00 H new ATOM 0 HB3 LYS A 43 37.868 21.531 25.227 1.00 0.00 H new ATOM 0 HG2 LYS A 43 40.231 22.255 24.824 1.00 0.00 H new ATOM 0 HG3 LYS A 43 40.216 23.169 26.319 1.00 0.00 H new ATOM 0 HD2 LYS A 43 39.756 21.063 27.606 1.00 0.00 H new ATOM 0 HD3 LYS A 43 39.762 20.147 26.112 1.00 0.00 H new ATOM 0 HE2 LYS A 43 42.127 20.865 25.676 1.00 0.00 H new ATOM 0 HE3 LYS A 43 42.123 21.793 27.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 43.106 19.605 27.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 41.678 19.746 28.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 41.682 18.848 26.964 1.00 0.00 H new ATOM 709 N LEU A 44 37.854 22.876 22.700 1.00 0.00 N ATOM 710 CA LEU A 44 38.335 22.798 21.323 1.00 0.00 C ATOM 711 C LEU A 44 38.202 24.156 20.639 1.00 0.00 C ATOM 712 O LEU A 44 39.082 24.570 19.883 1.00 0.00 O ATOM 713 CB LEU A 44 37.543 21.746 20.530 1.00 0.00 C ATOM 714 CG LEU A 44 37.969 20.326 20.942 1.00 0.00 C ATOM 715 CD1 LEU A 44 37.403 19.979 22.320 1.00 0.00 C ATOM 716 CD2 LEU A 44 37.433 19.326 19.914 1.00 0.00 C ATOM 0 H LEU A 44 37.042 22.294 22.905 1.00 0.00 H new ATOM 0 HA LEU A 44 39.385 22.506 21.347 1.00 0.00 H new ATOM 0 HB2 LEU A 44 36.475 21.877 20.706 1.00 0.00 H new ATOM 0 HB3 LEU A 44 37.709 21.886 19.462 1.00 0.00 H new ATOM 0 HG LEU A 44 39.057 20.279 20.984 1.00 0.00 H new ATOM 0 HD11 LEU A 44 37.713 18.972 22.597 1.00 0.00 H new ATOM 0 HD12 LEU A 44 37.778 20.690 23.057 1.00 0.00 H new ATOM 0 HD13 LEU A 44 36.315 20.028 22.289 1.00 0.00 H new ATOM 0 HD21 LEU A 44 37.731 18.317 20.199 1.00 0.00 H new ATOM 0 HD22 LEU A 44 36.345 19.387 19.879 1.00 0.00 H new ATOM 0 HD23 LEU A 44 37.841 19.561 18.931 1.00 0.00 H new ATOM 728 N ALA A 45 37.096 24.844 20.907 1.00 0.00 N ATOM 729 CA ALA A 45 36.858 26.153 20.311 1.00 0.00 C ATOM 730 C ALA A 45 37.942 27.141 20.731 1.00 0.00 C ATOM 731 O ALA A 45 38.408 27.946 19.927 1.00 0.00 O ATOM 732 CB ALA A 45 35.489 26.681 20.741 1.00 0.00 C ATOM 0 H ALA A 45 36.356 24.519 21.529 1.00 0.00 H new ATOM 0 HA ALA A 45 36.882 26.046 19.227 1.00 0.00 H new ATOM 0 HB1 ALA A 45 35.319 27.659 20.292 1.00 0.00 H new ATOM 0 HB2 ALA A 45 34.713 25.990 20.412 1.00 0.00 H new ATOM 0 HB3 ALA A 45 35.458 26.770 21.827 1.00 0.00 H new ATOM 738 N ASP A 46 38.339 27.070 21.998 1.00 0.00 N ATOM 739 CA ASP A 46 39.369 27.964 22.515 1.00 0.00 C ATOM 740 C ASP A 46 39.010 29.418 22.224 1.00 0.00 C ATOM 741 O ASP A 46 39.851 30.196 21.772 1.00 0.00 O ATOM 742 CB ASP A 46 40.719 27.630 21.877 1.00 0.00 C ATOM 743 CG ASP A 46 41.838 28.362 22.611 1.00 0.00 C ATOM 744 OD1 ASP A 46 41.527 29.250 23.387 1.00 0.00 O ATOM 745 OD2 ASP A 46 42.987 28.022 22.387 1.00 0.00 O1- ATOM 0 H ASP A 46 37.967 26.409 22.680 1.00 0.00 H new ATOM 0 HA ASP A 46 39.435 27.827 23.594 1.00 0.00 H new ATOM 0 HB2 ASP A 46 40.892 26.554 21.914 1.00 0.00 H new ATOM 0 HB3 ASP A 46 40.714 27.917 20.825 1.00 0.00 H new ATOM 750 N LYS A 47 37.757 29.776 22.484 1.00 0.00 N ATOM 751 CA LYS A 47 37.298 31.140 22.244 1.00 0.00 C ATOM 752 C LYS A 47 38.104 32.125 23.088 1.00 0.00 C ATOM 753 O LYS A 47 38.522 33.176 22.605 1.00 0.00 O ATOM 754 CB LYS A 47 35.806 31.251 22.588 1.00 0.00 C ATOM 755 CG LYS A 47 35.287 32.679 22.347 1.00 0.00 C ATOM 756 CD LYS A 47 35.417 33.052 20.862 1.00 0.00 C ATOM 757 CE LYS A 47 34.475 34.214 20.537 1.00 0.00 C ATOM 758 NZ LYS A 47 34.873 35.412 21.325 1.00 0.00 N1+ ATOM 0 H LYS A 47 37.046 29.147 22.858 1.00 0.00 H new ATOM 0 HA LYS A 47 37.443 31.383 21.191 1.00 0.00 H new ATOM 0 HB2 LYS A 47 35.236 30.547 21.982 1.00 0.00 H new ATOM 0 HB3 LYS A 47 35.648 30.975 23.631 1.00 0.00 H new ATOM 0 HG2 LYS A 47 34.244 32.751 22.657 1.00 0.00 H new ATOM 0 HG3 LYS A 47 35.850 33.385 22.957 1.00 0.00 H new ATOM 0 HD2 LYS A 47 36.446 33.331 20.636 1.00 0.00 H new ATOM 0 HD3 LYS A 47 35.176 32.191 20.238 1.00 0.00 H new ATOM 0 HE2 LYS A 47 34.512 34.438 19.471 1.00 0.00 H new ATOM 0 HE3 LYS A 47 33.446 33.938 20.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 34.373 36.248 20.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 34.626 35.268 22.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 35.899 35.558 21.240 1.00 0.00 H new ATOM 772 N GLN A 48 38.318 31.773 24.354 1.00 0.00 N ATOM 773 CA GLN A 48 39.075 32.630 25.258 1.00 0.00 C ATOM 774 C GLN A 48 40.542 32.679 24.845 1.00 0.00 C ATOM 775 O GLN A 48 41.159 31.646 24.588 1.00 0.00 O ATOM 776 CB GLN A 48 38.960 32.104 26.693 1.00 0.00 C ATOM 777 CG GLN A 48 39.621 33.082 27.672 1.00 0.00 C ATOM 778 CD GLN A 48 38.894 34.424 27.657 1.00 0.00 C ATOM 779 OE1 GLN A 48 37.686 34.478 27.884 1.00 0.00 O ATOM 780 NE2 GLN A 48 39.563 35.514 27.402 1.00 0.00 N ATOM 0 H GLN A 48 37.980 30.907 24.773 1.00 0.00 H new ATOM 0 HA GLN A 48 38.663 33.638 25.207 1.00 0.00 H new ATOM 0 HB2 GLN A 48 37.911 31.969 26.955 1.00 0.00 H new ATOM 0 HB3 GLN A 48 39.435 31.126 26.768 1.00 0.00 H new ATOM 0 HG2 GLN A 48 39.606 32.664 28.679 1.00 0.00 H new ATOM 0 HG3 GLN A 48 40.667 33.225 27.402 1.00 0.00 H new ATOM 0 HE21 GLN A 48 40.564 35.466 27.214 1.00 0.00 H new ATOM 0 HE22 GLN A 48 39.085 36.415 27.390 1.00 0.00 H new ATOM 789 N GLU A 49 41.094 33.886 24.784 1.00 0.00 N ATOM 790 CA GLU A 49 42.491 34.058 24.401 1.00 0.00 C ATOM 791 C GLU A 49 43.415 33.564 25.510 1.00 0.00 C ATOM 792 O GLU A 49 43.121 33.723 26.694 1.00 0.00 O ATOM 793 CB GLU A 49 42.777 35.533 24.116 1.00 0.00 C ATOM 794 CG GLU A 49 42.039 35.960 22.847 1.00 0.00 C ATOM 795 CD GLU A 49 42.220 37.456 22.617 1.00 0.00 C ATOM 796 OE1 GLU A 49 42.730 38.115 23.508 1.00 0.00 O ATOM 797 OE2 GLU A 49 41.847 37.922 21.552 1.00 0.00 O1- ATOM 0 H GLU A 49 40.600 34.754 24.993 1.00 0.00 H new ATOM 0 HA GLU A 49 42.676 33.472 23.501 1.00 0.00 H new ATOM 0 HB2 GLU A 49 42.457 36.146 24.959 1.00 0.00 H new ATOM 0 HB3 GLU A 49 43.849 35.690 23.996 1.00 0.00 H new ATOM 0 HG2 GLU A 49 42.419 35.403 21.991 1.00 0.00 H new ATOM 0 HG3 GLU A 49 40.979 35.723 22.936 1.00 0.00 H new ATOM 804 N HIS A 50 44.535 32.965 25.116 1.00 0.00 N ATOM 805 CA HIS A 50 45.502 32.449 26.082 1.00 0.00 C ATOM 806 C HIS A 50 46.898 32.415 25.468 1.00 0.00 C ATOM 807 O HIS A 50 47.065 32.059 24.301 1.00 0.00 O ATOM 808 CB HIS A 50 45.092 31.045 26.529 1.00 0.00 C ATOM 809 CG HIS A 50 46.002 30.579 27.630 1.00 0.00 C ATOM 810 ND1 HIS A 50 46.909 29.552 27.698 1.00 0.00 N flip ATOM 811 CD2 HIS A 50 46.038 31.199 28.869 1.00 0.00 C flip ATOM 812 CE1 HIS A 50 47.500 29.531 28.957 1.00 0.00 C flip ATOM 813 NE2 HIS A 50 46.941 30.545 29.624 1.00 0.00 N flip ATOM 0 H HIS A 50 44.795 32.825 24.140 1.00 0.00 H new ATOM 0 HA HIS A 50 45.519 33.109 26.949 1.00 0.00 H new ATOM 0 HB2 HIS A 50 44.059 31.050 26.876 1.00 0.00 H new ATOM 0 HB3 HIS A 50 45.142 30.355 25.686 1.00 0.00 H new ATOM 0 HD2 HIS A 50 45.449 32.052 29.174 1.00 0.00 H new ATOM 0 HE1 HIS A 50 48.250 28.843 29.318 1.00 0.00 H new ATOM 0 HE2 HIS A 50 47.170 30.793 30.586 1.00 0.00 H new ATOM 821 N LEU A 51 47.897 32.790 26.260 1.00 0.00 N ATOM 822 CA LEU A 51 49.277 32.803 25.780 1.00 0.00 C ATOM 823 C LEU A 51 49.741 31.395 25.423 1.00 0.00 C ATOM 824 O LEU A 51 50.441 31.197 24.428 1.00 0.00 O ATOM 825 CB LEU A 51 50.208 33.393 26.849 1.00 0.00 C ATOM 826 CG LEU A 51 49.970 34.907 27.001 1.00 0.00 C ATOM 827 CD1 LEU A 51 50.732 35.407 28.232 1.00 0.00 C ATOM 828 CD2 LEU A 51 50.462 35.662 25.748 1.00 0.00 C ATOM 0 H LEU A 51 47.781 33.087 27.229 1.00 0.00 H new ATOM 0 HA LEU A 51 49.315 33.424 24.885 1.00 0.00 H new ATOM 0 HB2 LEU A 51 50.036 32.895 27.803 1.00 0.00 H new ATOM 0 HB3 LEU A 51 51.247 33.209 26.576 1.00 0.00 H new ATOM 0 HG LEU A 51 48.902 35.091 27.119 1.00 0.00 H new ATOM 0 HD11 LEU A 51 50.571 36.479 28.349 1.00 0.00 H new ATOM 0 HD12 LEU A 51 50.372 34.886 29.119 1.00 0.00 H new ATOM 0 HD13 LEU A 51 51.797 35.212 28.105 1.00 0.00 H new ATOM 0 HD21 LEU A 51 50.285 36.730 25.874 1.00 0.00 H new ATOM 0 HD22 LEU A 51 51.529 35.484 25.612 1.00 0.00 H new ATOM 0 HD23 LEU A 51 49.920 35.306 24.872 1.00 0.00 H new ATOM 840 N ASP A 52 49.352 30.420 26.237 1.00 0.00 N ATOM 841 CA ASP A 52 49.742 29.035 25.990 1.00 0.00 C ATOM 842 C ASP A 52 51.260 28.923 25.846 1.00 0.00 C ATOM 843 O ASP A 52 51.758 28.173 25.007 1.00 0.00 O ATOM 844 CB ASP A 52 49.072 28.528 24.711 1.00 0.00 C ATOM 845 CG ASP A 52 49.234 27.017 24.602 1.00 0.00 C ATOM 846 OD1 ASP A 52 50.039 26.472 25.339 1.00 0.00 O ATOM 847 OD2 ASP A 52 48.548 26.424 23.784 1.00 0.00 O1- ATOM 0 H ASP A 52 48.773 30.559 27.065 1.00 0.00 H new ATOM 0 HA ASP A 52 49.421 28.429 26.837 1.00 0.00 H new ATOM 0 HB2 ASP A 52 48.014 28.789 24.717 1.00 0.00 H new ATOM 0 HB3 ASP A 52 49.515 29.013 23.841 1.00 0.00 H new ATOM 852 N GLY A 53 51.992 29.675 26.669 1.00 0.00 N ATOM 853 CA GLY A 53 53.450 29.649 26.618 1.00 0.00 C ATOM 854 C GLY A 53 53.994 28.349 27.203 1.00 0.00 C ATOM 855 O GLY A 53 55.181 28.049 27.071 1.00 0.00 O ATOM 0 H GLY A 53 51.602 30.303 27.372 1.00 0.00 H new ATOM 0 HA2 GLY A 53 53.783 29.755 25.586 1.00 0.00 H new ATOM 0 HA3 GLY A 53 53.852 30.498 27.172 1.00 0.00 H new ATOM 859 N ALA A 54 53.122 27.588 27.854 1.00 0.00 N ATOM 860 CA ALA A 54 53.530 26.325 28.461 1.00 0.00 C ATOM 861 C ALA A 54 54.063 25.364 27.403 1.00 0.00 C ATOM 862 O ALA A 54 55.045 24.659 27.632 1.00 0.00 O ATOM 863 CB ALA A 54 52.343 25.685 29.181 1.00 0.00 C ATOM 0 H ALA A 54 52.136 27.820 27.975 1.00 0.00 H new ATOM 0 HA ALA A 54 54.324 26.531 29.179 1.00 0.00 H new ATOM 0 HB1 ALA A 54 52.656 24.743 29.631 1.00 0.00 H new ATOM 0 HB2 ALA A 54 51.984 26.358 29.960 1.00 0.00 H new ATOM 0 HB3 ALA A 54 51.542 25.497 28.466 1.00 0.00 H new ATOM 869 N LEU A 55 53.410 25.340 26.245 1.00 0.00 N ATOM 870 CA LEU A 55 53.833 24.458 25.163 1.00 0.00 C ATOM 871 C LEU A 55 55.235 24.828 24.692 1.00 0.00 C ATOM 872 O LEU A 55 56.053 23.956 24.397 1.00 0.00 O ATOM 873 CB LEU A 55 52.856 24.564 23.988 1.00 0.00 C ATOM 874 CG LEU A 55 51.497 23.957 24.371 1.00 0.00 C ATOM 875 CD1 LEU A 55 50.480 24.270 23.268 1.00 0.00 C ATOM 876 CD2 LEU A 55 51.616 22.427 24.548 1.00 0.00 C ATOM 0 H LEU A 55 52.594 25.915 26.033 1.00 0.00 H new ATOM 0 HA LEU A 55 53.842 23.434 25.536 1.00 0.00 H new ATOM 0 HB2 LEU A 55 52.729 25.609 23.704 1.00 0.00 H new ATOM 0 HB3 LEU A 55 53.262 24.045 23.120 1.00 0.00 H new ATOM 0 HG LEU A 55 51.168 24.390 25.316 1.00 0.00 H new ATOM 0 HD11 LEU A 55 49.513 23.842 23.533 1.00 0.00 H new ATOM 0 HD12 LEU A 55 50.382 25.350 23.160 1.00 0.00 H new ATOM 0 HD13 LEU A 55 50.821 23.840 22.326 1.00 0.00 H new ATOM 0 HD21 LEU A 55 50.644 22.015 24.819 1.00 0.00 H new ATOM 0 HD22 LEU A 55 51.953 21.978 23.614 1.00 0.00 H new ATOM 0 HD23 LEU A 55 52.336 22.207 25.336 1.00 0.00 H new ATOM 888 N ARG A 56 55.508 26.126 24.622 1.00 0.00 N ATOM 889 CA ARG A 56 56.817 26.600 24.184 1.00 0.00 C ATOM 890 C ARG A 56 57.876 26.296 25.239 1.00 0.00 C ATOM 891 O ARG A 56 57.608 26.361 26.439 1.00 0.00 O ATOM 892 CB ARG A 56 56.769 28.107 23.926 1.00 0.00 C ATOM 893 CG ARG A 56 55.889 28.387 22.706 1.00 0.00 C ATOM 894 CD ARG A 56 55.828 29.895 22.456 1.00 0.00 C ATOM 895 NE ARG A 56 54.991 30.180 21.296 1.00 0.00 N ATOM 896 CZ ARG A 56 54.795 31.428 20.880 1.00 0.00 C ATOM 897 NH1 ARG A 56 54.042 31.657 19.840 1.00 0.00 N1+ ATOM 898 NH2 ARG A 56 55.357 32.421 21.512 1.00 0.00 N ATOM 0 H ARG A 56 54.846 26.865 24.861 1.00 0.00 H new ATOM 0 HA ARG A 56 57.079 26.083 23.261 1.00 0.00 H new ATOM 0 HB2 ARG A 56 56.373 28.624 24.800 1.00 0.00 H new ATOM 0 HB3 ARG A 56 57.775 28.490 23.758 1.00 0.00 H new ATOM 0 HG2 ARG A 56 56.291 27.878 21.830 1.00 0.00 H new ATOM 0 HG3 ARG A 56 54.886 27.994 22.870 1.00 0.00 H new ATOM 0 HD2 ARG A 56 55.428 30.401 23.335 1.00 0.00 H new ATOM 0 HD3 ARG A 56 56.833 30.285 22.293 1.00 0.00 H new ATOM 0 HE ARG A 56 54.549 29.409 20.795 1.00 0.00 H new ATOM 0 HH11 ARG A 56 53.604 30.879 19.346 1.00 0.00 H new ATOM 0 HH12 ARG A 56 53.891 32.614 19.520 1.00 0.00 H new ATOM 0 HH21 ARG A 56 55.946 32.240 22.325 1.00 0.00 H new ATOM 0 HH22 ARG A 56 55.207 33.378 21.194 1.00 0.00 H new ATOM 912 N TYR A 57 59.080 25.964 24.783 1.00 0.00 N ATOM 913 CA TYR A 57 60.173 25.652 25.696 1.00 0.00 C ATOM 914 C TYR A 57 60.652 26.913 26.408 1.00 0.00 C ATOM 915 O TYR A 57 61.181 26.787 27.500 1.00 0.00 O ATOM 916 CB TYR A 57 61.336 25.026 24.924 1.00 0.00 C ATOM 917 CG TYR A 57 61.813 25.988 23.864 1.00 0.00 C ATOM 918 CD1 TYR A 57 62.809 26.925 24.165 1.00 0.00 C ATOM 919 CD2 TYR A 57 61.259 25.946 22.579 1.00 0.00 C ATOM 920 CE1 TYR A 57 63.250 27.818 23.183 1.00 0.00 C ATOM 921 CE2 TYR A 57 61.700 26.840 21.595 1.00 0.00 C ATOM 922 CZ TYR A 57 62.697 27.776 21.897 1.00 0.00 C ATOM 923 OH TYR A 57 63.132 28.657 20.928 1.00 0.00 O ATOM 924 OXT TYR A 57 60.484 27.984 25.851 1.00 0.00 O ATOM 0 H TYR A 57 59.322 25.904 23.794 1.00 0.00 H new ATOM 0 HA TYR A 57 59.809 24.944 26.441 1.00 0.00 H new ATOM 0 HB2 TYR A 57 62.152 24.786 25.606 1.00 0.00 H new ATOM 0 HB3 TYR A 57 61.019 24.090 24.464 1.00 0.00 H new ATOM 0 HD1 TYR A 57 63.237 26.958 25.156 1.00 0.00 H new ATOM 0 HD2 TYR A 57 60.491 25.224 22.346 1.00 0.00 H new ATOM 0 HE1 TYR A 57 64.018 28.541 23.417 1.00 0.00 H new ATOM 0 HE2 TYR A 57 61.272 26.808 20.604 1.00 0.00 H new ATOM 0 HH TYR A 57 62.646 28.492 20.093 1.00 0.00 H new TER 934 TYR A 57