USER MOD reduce.3.24.130724 H: found=0, std=0, add=666, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 666 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 30 GLN : amide:sc= 0.158 K(o=-4.5,f=-1.9) USER MOD Set 1.2: A 79 ASN : amide:sc= -4.7! K(o=-4.5!,f=-1.8) USER MOD Set 2.1: A 18 LYS NZ :NH3+ 157:sc= -0.402 (180deg=-0.616) USER MOD Set 2.2: A 51 HIS : no HE2:sc= -7.76! C(o=-8.2!,f=-11!) USER MOD Single : A 1 GLY N :NH3+ -173:sc= 0 (180deg=-0.0134) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 ASN : amide:sc= -0.0678 K(o=-0.068,f=-1!) USER MOD Single : A 8 LYS NZ :NH3+ -130:sc= -2.25! (180deg=-5.13!) USER MOD Single : A 10 THR OG1 : rot 180:sc= -1.14 USER MOD Single : A 15 ASN : amide:sc= -0.0446 K(o=-0.045,f=-1.9!) USER MOD Single : A 16 GLN : amide:sc= -8.16! C(o=-8.2!,f=-18!) USER MOD Single : A 19 GLN : amide:sc= -0.2 X(o=-0.2,f=-0.38) USER MOD Single : A 23 SER OG : rot 92:sc= 1.24 USER MOD Single : A 28 ASN : amide:sc= -3.36! C(o=-3.4!,f=-5.6!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot -150:sc= 0 USER MOD Single : A 39 ASN : amide:sc= -1.48 K(o=-1.5,f=-4.6!) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 44 MET CE :methyl -171:sc= -0.174 (180deg=-0.333) USER MOD Single : A 45 ASN : amide:sc= -5.83! C(o=-5.8!,f=-5.3!) USER MOD Single : A 46 GLN : amide:sc= -10.7! C(o=-11!,f=-20!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 HIS : no HD1:sc= -0.327 X(o=-0.33,f=0.071) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 CYS SG : rot -89:sc= -1.66! USER MOD Single : A 63 LYS NZ :NH3+ 160:sc= -0.0317 (180deg=-0.373) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 86:sc= -1.96! USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 HIS : no HD1:sc= -0.0175 K(o=-0.018,f=-0.61) USER MOD Single : A 73 LYS NZ :NH3+ -147:sc= 0.00437 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= -5.38! K(o=-5.4!,f=-3.2) USER MOD Single : A 77 GLN : amide:sc= -0.384 K(o=-0.38,f=-1.2) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -3.898 65.458 3.747 1.00 0.00 N ATOM 2 CA GLY A 1 -2.677 64.692 3.366 1.00 0.00 C ATOM 3 C GLY A 1 -3.086 63.409 2.652 1.00 0.00 C ATOM 4 O GLY A 1 -3.277 62.368 3.278 1.00 0.00 O ATOM 0 H1 GLY A 1 -3.621 66.386 4.126 1.00 0.00 H new ATOM 0 H2 GLY A 1 -4.499 65.592 2.909 1.00 0.00 H new ATOM 0 H3 GLY A 1 -4.426 64.931 4.472 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -2.043 65.296 2.717 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -2.091 64.456 4.254 1.00 0.00 H new ATOM 10 N PRO A 2 -3.222 63.475 1.355 1.00 0.00 N ATOM 11 CA PRO A 2 -3.621 62.304 0.517 1.00 0.00 C ATOM 12 C PRO A 2 -2.684 61.110 0.712 1.00 0.00 C ATOM 13 O PRO A 2 -1.485 61.283 0.924 1.00 0.00 O ATOM 14 CB PRO A 2 -3.538 62.828 -0.920 1.00 0.00 C ATOM 15 CG PRO A 2 -3.561 64.320 -0.823 1.00 0.00 C ATOM 16 CD PRO A 2 -3.007 64.683 0.549 1.00 0.00 C ATOM 0 HA PRO A 2 -4.612 61.937 0.782 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -2.626 62.484 -1.408 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -4.375 62.464 -1.516 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -2.959 64.768 -1.613 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -4.576 64.699 -0.942 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -1.950 64.943 0.496 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -3.526 65.543 0.973 1.00 0.00 H new ATOM 24 N LEU A 3 -3.237 59.901 0.639 1.00 0.00 N ATOM 25 CA LEU A 3 -2.428 58.701 0.813 1.00 0.00 C ATOM 26 C LEU A 3 -1.702 58.755 2.151 1.00 0.00 C ATOM 27 O LEU A 3 -2.066 58.054 3.095 1.00 0.00 O ATOM 28 CB LEU A 3 -1.408 58.590 -0.324 1.00 0.00 C ATOM 29 CG LEU A 3 -0.518 57.363 -0.108 1.00 0.00 C ATOM 30 CD1 LEU A 3 -1.300 56.099 -0.466 1.00 0.00 C ATOM 31 CD2 LEU A 3 0.722 57.472 -0.998 1.00 0.00 C ATOM 0 H LEU A 3 -4.227 59.729 0.463 1.00 0.00 H new ATOM 0 HA LEU A 3 -3.080 57.828 0.795 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -1.924 58.512 -1.281 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -0.796 59.491 -0.365 1.00 0.00 H new ATOM 0 HG LEU A 3 -0.210 57.313 0.936 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -0.668 55.224 -0.313 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -2.182 56.025 0.170 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -1.608 56.145 -1.510 1.00 0.00 H new ATOM 0 HD21 LEU A 3 1.357 56.599 -0.846 1.00 0.00 H new ATOM 0 HD22 LEU A 3 0.417 57.521 -2.043 1.00 0.00 H new ATOM 0 HD23 LEU A 3 1.277 58.374 -0.740 1.00 0.00 H new ATOM 43 N GLY A 4 -0.678 59.604 2.224 1.00 0.00 N ATOM 44 CA GLY A 4 0.092 59.762 3.452 1.00 0.00 C ATOM 45 C GLY A 4 1.452 59.076 3.366 1.00 0.00 C ATOM 46 O GLY A 4 1.778 58.424 2.374 1.00 0.00 O ATOM 0 H GLY A 4 -0.365 60.190 1.450 1.00 0.00 H new ATOM 0 HA2 GLY A 4 0.234 60.823 3.657 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -0.471 59.348 4.289 1.00 0.00 H new ATOM 50 N SER A 5 2.240 59.232 4.425 1.00 0.00 N ATOM 51 CA SER A 5 3.566 58.631 4.484 1.00 0.00 C ATOM 52 C SER A 5 3.466 57.170 4.906 1.00 0.00 C ATOM 53 O SER A 5 4.411 56.601 5.454 1.00 0.00 O ATOM 54 CB SER A 5 4.458 59.406 5.456 1.00 0.00 C ATOM 55 OG SER A 5 4.797 60.662 4.878 1.00 0.00 O ATOM 0 H SER A 5 1.983 59.769 5.253 1.00 0.00 H new ATOM 0 HA SER A 5 4.013 58.676 3.491 1.00 0.00 H new ATOM 0 HB2 SER A 5 3.940 59.556 6.403 1.00 0.00 H new ATOM 0 HB3 SER A 5 5.361 58.836 5.673 1.00 0.00 H new ATOM 0 HG SER A 5 5.367 61.164 5.497 1.00 0.00 H new ATOM 61 N MET A 6 2.310 56.570 4.640 1.00 0.00 N ATOM 62 CA MET A 6 2.090 55.173 4.985 1.00 0.00 C ATOM 63 C MET A 6 3.234 54.322 4.459 1.00 0.00 C ATOM 64 O MET A 6 3.714 53.428 5.150 1.00 0.00 O ATOM 65 CB MET A 6 0.772 54.690 4.382 1.00 0.00 C ATOM 66 CG MET A 6 -0.394 55.287 5.169 1.00 0.00 C ATOM 67 SD MET A 6 -1.952 54.610 4.549 1.00 0.00 S ATOM 68 CE MET A 6 -3.045 55.586 5.610 1.00 0.00 C ATOM 0 H MET A 6 1.517 57.027 4.190 1.00 0.00 H new ATOM 0 HA MET A 6 2.044 55.080 6.070 1.00 0.00 H new ATOM 0 HB2 MET A 6 0.708 54.986 3.335 1.00 0.00 H new ATOM 0 HB3 MET A 6 0.724 53.601 4.409 1.00 0.00 H new ATOM 0 HG2 MET A 6 -0.284 55.061 6.230 1.00 0.00 H new ATOM 0 HG3 MET A 6 -0.393 56.373 5.073 1.00 0.00 H new ATOM 0 HE1 MET A 6 -4.083 55.329 5.397 1.00 0.00 H new ATOM 0 HE2 MET A 6 -2.825 55.370 6.656 1.00 0.00 H new ATOM 0 HE3 MET A 6 -2.887 56.647 5.417 1.00 0.00 H new ATOM 78 N ASN A 7 3.679 54.630 3.244 1.00 0.00 N ATOM 79 CA ASN A 7 4.787 53.905 2.635 1.00 0.00 C ATOM 80 C ASN A 7 4.737 52.422 3.000 1.00 0.00 C ATOM 81 O ASN A 7 5.016 52.044 4.138 1.00 0.00 O ATOM 82 CB ASN A 7 6.111 54.515 3.109 1.00 0.00 C ATOM 83 CG ASN A 7 7.223 54.198 2.118 1.00 0.00 C ATOM 84 OD1 ASN A 7 7.411 53.041 1.741 1.00 0.00 O ATOM 85 ND2 ASN A 7 7.975 55.165 1.669 1.00 0.00 N ATOM 0 H ASN A 7 3.290 55.374 2.665 1.00 0.00 H new ATOM 0 HA ASN A 7 4.708 53.989 1.551 1.00 0.00 H new ATOM 0 HB2 ASN A 7 6.005 55.595 3.214 1.00 0.00 H new ATOM 0 HB3 ASN A 7 6.369 54.123 4.093 1.00 0.00 H new ATOM 0 HD21 ASN A 7 8.721 54.964 1.004 1.00 0.00 H new ATOM 0 HD22 ASN A 7 7.817 56.122 1.983 1.00 0.00 H new ATOM 92 N LYS A 8 4.388 51.579 2.030 1.00 0.00 N ATOM 93 CA LYS A 8 4.320 50.144 2.287 1.00 0.00 C ATOM 94 C LYS A 8 5.728 49.598 2.525 1.00 0.00 C ATOM 95 O LYS A 8 6.713 50.324 2.380 1.00 0.00 O ATOM 96 CB LYS A 8 3.656 49.413 1.116 1.00 0.00 C ATOM 97 CG LYS A 8 2.210 49.900 0.952 1.00 0.00 C ATOM 98 CD LYS A 8 1.548 49.147 -0.203 1.00 0.00 C ATOM 99 CE LYS A 8 1.332 47.686 0.199 1.00 0.00 C ATOM 100 NZ LYS A 8 2.580 46.917 -0.056 1.00 0.00 N1+ ATOM 0 H LYS A 8 4.152 51.858 1.078 1.00 0.00 H new ATOM 0 HA LYS A 8 3.714 49.975 3.177 1.00 0.00 H new ATOM 0 HB2 LYS A 8 4.216 49.593 0.198 1.00 0.00 H new ATOM 0 HB3 LYS A 8 3.669 48.337 1.292 1.00 0.00 H new ATOM 0 HG2 LYS A 8 1.653 49.736 1.874 1.00 0.00 H new ATOM 0 HG3 LYS A 8 2.196 50.972 0.757 1.00 0.00 H new ATOM 0 HD2 LYS A 8 0.594 49.611 -0.455 1.00 0.00 H new ATOM 0 HD3 LYS A 8 2.174 49.202 -1.094 1.00 0.00 H new ATOM 0 HE2 LYS A 8 1.061 47.623 1.253 1.00 0.00 H new ATOM 0 HE3 LYS A 8 0.505 47.259 -0.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 2.354 46.058 -0.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 3.245 47.504 -0.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 3.015 46.650 0.850 1.00 0.00 H new ATOM 114 N PHE A 9 5.825 48.331 2.918 1.00 0.00 N ATOM 115 CA PHE A 9 7.130 47.732 3.199 1.00 0.00 C ATOM 116 C PHE A 9 7.876 47.356 1.919 1.00 0.00 C ATOM 117 O PHE A 9 7.281 46.861 0.961 1.00 0.00 O ATOM 118 CB PHE A 9 6.943 46.495 4.079 1.00 0.00 C ATOM 119 CG PHE A 9 6.413 46.937 5.419 1.00 0.00 C ATOM 120 CD1 PHE A 9 7.291 47.455 6.376 1.00 0.00 C ATOM 121 CD2 PHE A 9 5.043 46.848 5.696 1.00 0.00 C ATOM 122 CE1 PHE A 9 6.801 47.881 7.615 1.00 0.00 C ATOM 123 CE2 PHE A 9 4.553 47.278 6.934 1.00 0.00 C ATOM 124 CZ PHE A 9 5.432 47.793 7.892 1.00 0.00 C ATOM 0 H PHE A 9 5.030 47.706 3.048 1.00 0.00 H new ATOM 0 HA PHE A 9 7.735 48.474 3.721 1.00 0.00 H new ATOM 0 HB2 PHE A 9 6.250 45.797 3.609 1.00 0.00 H new ATOM 0 HB3 PHE A 9 7.890 45.970 4.201 1.00 0.00 H new ATOM 0 HD1 PHE A 9 8.347 47.526 6.159 1.00 0.00 H new ATOM 0 HD2 PHE A 9 4.366 46.448 4.955 1.00 0.00 H new ATOM 0 HE1 PHE A 9 7.478 48.277 8.357 1.00 0.00 H new ATOM 0 HE2 PHE A 9 3.497 47.212 7.150 1.00 0.00 H new ATOM 0 HZ PHE A 9 5.053 48.124 8.848 1.00 0.00 H new ATOM 134 N THR A 10 9.189 47.595 1.921 1.00 0.00 N ATOM 135 CA THR A 10 10.018 47.277 0.758 1.00 0.00 C ATOM 136 C THR A 10 10.495 45.828 0.823 1.00 0.00 C ATOM 137 O THR A 10 10.449 45.197 1.879 1.00 0.00 O ATOM 138 CB THR A 10 11.234 48.212 0.690 1.00 0.00 C ATOM 139 OG1 THR A 10 11.997 48.100 1.881 1.00 0.00 O ATOM 140 CG2 THR A 10 10.771 49.658 0.514 1.00 0.00 C ATOM 0 H THR A 10 9.696 48.003 2.706 1.00 0.00 H new ATOM 0 HA THR A 10 9.411 47.415 -0.137 1.00 0.00 H new ATOM 0 HB THR A 10 11.851 47.926 -0.162 1.00 0.00 H new ATOM 0 HG1 THR A 10 12.772 48.698 1.830 1.00 0.00 H new ATOM 0 HG21 THR A 10 11.640 50.315 0.467 1.00 0.00 H new ATOM 0 HG22 THR A 10 10.198 49.747 -0.409 1.00 0.00 H new ATOM 0 HG23 THR A 10 10.145 49.945 1.359 1.00 0.00 H new ATOM 148 N ASP A 11 10.946 45.298 -0.310 1.00 0.00 N ATOM 149 CA ASP A 11 11.421 43.918 -0.352 1.00 0.00 C ATOM 150 C ASP A 11 12.513 43.704 0.690 1.00 0.00 C ATOM 151 O ASP A 11 12.537 42.681 1.377 1.00 0.00 O ATOM 152 CB ASP A 11 11.975 43.589 -1.742 1.00 0.00 C ATOM 153 CG ASP A 11 10.864 43.672 -2.780 1.00 0.00 C ATOM 154 OD1 ASP A 11 9.712 43.712 -2.381 1.00 0.00 O ATOM 155 OD2 ASP A 11 11.182 43.697 -3.958 1.00 0.00 O1- ATOM 0 H ASP A 11 10.993 45.794 -1.200 1.00 0.00 H new ATOM 0 HA ASP A 11 10.581 43.259 -0.134 1.00 0.00 H new ATOM 0 HB2 ASP A 11 12.775 44.284 -1.997 1.00 0.00 H new ATOM 0 HB3 ASP A 11 12.409 42.589 -1.742 1.00 0.00 H new ATOM 160 N ASP A 12 13.411 44.677 0.809 1.00 0.00 N ATOM 161 CA ASP A 12 14.495 44.585 1.778 1.00 0.00 C ATOM 162 C ASP A 12 13.937 44.542 3.189 1.00 0.00 C ATOM 163 O ASP A 12 14.357 43.730 4.015 1.00 0.00 O ATOM 164 CB ASP A 12 15.417 45.793 1.635 1.00 0.00 C ATOM 165 CG ASP A 12 16.123 45.751 0.285 1.00 0.00 C ATOM 166 OD1 ASP A 12 16.511 44.670 -0.126 1.00 0.00 O1- ATOM 167 OD2 ASP A 12 16.273 46.802 -0.315 1.00 0.00 O ATOM 0 H ASP A 12 13.409 45.531 0.251 1.00 0.00 H new ATOM 0 HA ASP A 12 15.057 43.670 1.589 1.00 0.00 H new ATOM 0 HB2 ASP A 12 14.841 46.714 1.725 1.00 0.00 H new ATOM 0 HB3 ASP A 12 16.152 45.797 2.440 1.00 0.00 H new ATOM 172 N GLU A 13 12.974 45.410 3.457 1.00 0.00 N ATOM 173 CA GLU A 13 12.359 45.449 4.769 1.00 0.00 C ATOM 174 C GLU A 13 11.576 44.167 4.998 1.00 0.00 C ATOM 175 O GLU A 13 11.571 43.611 6.096 1.00 0.00 O ATOM 176 CB GLU A 13 11.441 46.666 4.870 1.00 0.00 C ATOM 177 CG GLU A 13 12.296 47.938 4.868 1.00 0.00 C ATOM 178 CD GLU A 13 11.425 49.170 5.089 1.00 0.00 C ATOM 179 OE1 GLU A 13 10.251 48.999 5.362 1.00 0.00 O ATOM 180 OE2 GLU A 13 11.948 50.267 4.972 1.00 0.00 O1- ATOM 0 H GLU A 13 12.606 46.089 2.790 1.00 0.00 H new ATOM 0 HA GLU A 13 13.130 45.531 5.536 1.00 0.00 H new ATOM 0 HB2 GLU A 13 10.742 46.681 4.034 1.00 0.00 H new ATOM 0 HB3 GLU A 13 10.846 46.614 5.782 1.00 0.00 H new ATOM 0 HG2 GLU A 13 13.052 47.876 5.650 1.00 0.00 H new ATOM 0 HG3 GLU A 13 12.825 48.026 3.919 1.00 0.00 H new ATOM 187 N TRP A 14 10.924 43.696 3.944 1.00 0.00 N ATOM 188 CA TRP A 14 10.150 42.478 4.028 1.00 0.00 C ATOM 189 C TRP A 14 11.060 41.317 4.401 1.00 0.00 C ATOM 190 O TRP A 14 10.747 40.540 5.299 1.00 0.00 O ATOM 191 CB TRP A 14 9.482 42.222 2.681 1.00 0.00 C ATOM 192 CG TRP A 14 8.187 41.507 2.875 1.00 0.00 C ATOM 193 CD1 TRP A 14 7.827 40.391 2.211 1.00 0.00 C ATOM 194 CD2 TRP A 14 7.074 41.835 3.764 1.00 0.00 C ATOM 195 NE1 TRP A 14 6.564 40.007 2.629 1.00 0.00 N ATOM 196 CE2 TRP A 14 6.063 40.865 3.587 1.00 0.00 C ATOM 197 CE3 TRP A 14 6.842 42.867 4.697 1.00 0.00 C ATOM 198 CZ2 TRP A 14 4.869 40.911 4.306 1.00 0.00 C ATOM 199 CZ3 TRP A 14 5.641 42.914 5.420 1.00 0.00 C ATOM 200 CH2 TRP A 14 4.658 41.937 5.228 1.00 0.00 C ATOM 0 H TRP A 14 10.919 44.141 3.026 1.00 0.00 H new ATOM 0 HA TRP A 14 9.383 42.575 4.796 1.00 0.00 H new ATOM 0 HB2 TRP A 14 9.310 43.168 2.167 1.00 0.00 H new ATOM 0 HB3 TRP A 14 10.141 41.629 2.047 1.00 0.00 H new ATOM 0 HD1 TRP A 14 8.426 39.879 1.473 1.00 0.00 H new ATOM 0 HE1 TRP A 14 6.066 39.191 2.273 1.00 0.00 H new ATOM 0 HE3 TRP A 14 7.594 43.626 4.856 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 4.112 40.157 4.150 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 5.474 43.710 6.130 1.00 0.00 H new ATOM 0 HH2 TRP A 14 3.738 41.977 5.792 1.00 0.00 H new ATOM 211 N ASN A 15 12.193 41.211 3.717 1.00 0.00 N ATOM 212 CA ASN A 15 13.143 40.140 4.001 1.00 0.00 C ATOM 213 C ASN A 15 13.524 40.143 5.472 1.00 0.00 C ATOM 214 O ASN A 15 13.624 39.090 6.096 1.00 0.00 O ATOM 215 CB ASN A 15 14.398 40.322 3.153 1.00 0.00 C ATOM 216 CG ASN A 15 14.085 40.018 1.693 1.00 0.00 C ATOM 217 OD1 ASN A 15 13.022 39.479 1.385 1.00 0.00 O ATOM 218 ND2 ASN A 15 14.955 40.321 0.773 1.00 0.00 N ATOM 0 H ASN A 15 12.475 41.845 2.970 1.00 0.00 H new ATOM 0 HA ASN A 15 12.672 39.187 3.759 1.00 0.00 H new ATOM 0 HB2 ASN A 15 14.768 41.343 3.250 1.00 0.00 H new ATOM 0 HB3 ASN A 15 15.188 39.661 3.510 1.00 0.00 H new ATOM 0 HD21 ASN A 15 14.756 40.112 -0.205 1.00 0.00 H new ATOM 0 HD22 ASN A 15 15.835 40.768 1.031 1.00 0.00 H new ATOM 225 N GLN A 16 13.710 41.332 6.025 1.00 0.00 N ATOM 226 CA GLN A 16 14.050 41.445 7.433 1.00 0.00 C ATOM 227 C GLN A 16 12.885 40.942 8.278 1.00 0.00 C ATOM 228 O GLN A 16 13.074 40.187 9.229 1.00 0.00 O ATOM 229 CB GLN A 16 14.370 42.896 7.786 1.00 0.00 C ATOM 230 CG GLN A 16 15.834 43.198 7.448 1.00 0.00 C ATOM 231 CD GLN A 16 16.049 43.188 5.937 1.00 0.00 C ATOM 232 OE1 GLN A 16 15.636 42.249 5.256 1.00 0.00 O ATOM 233 NE2 GLN A 16 16.678 44.183 5.371 1.00 0.00 N ATOM 0 H GLN A 16 13.633 42.219 5.528 1.00 0.00 H new ATOM 0 HA GLN A 16 14.932 40.838 7.638 1.00 0.00 H new ATOM 0 HB2 GLN A 16 13.713 43.568 7.234 1.00 0.00 H new ATOM 0 HB3 GLN A 16 14.188 43.071 8.846 1.00 0.00 H new ATOM 0 HG2 GLN A 16 16.114 44.170 7.854 1.00 0.00 H new ATOM 0 HG3 GLN A 16 16.482 42.458 7.918 1.00 0.00 H new ATOM 0 HE21 GLN A 16 17.019 44.959 5.938 1.00 0.00 H new ATOM 0 HE22 GLN A 16 16.828 44.184 4.362 1.00 0.00 H new ATOM 242 N LEU A 17 11.674 41.355 7.907 1.00 0.00 N ATOM 243 CA LEU A 17 10.482 40.921 8.627 1.00 0.00 C ATOM 244 C LEU A 17 10.374 39.399 8.563 1.00 0.00 C ATOM 245 O LEU A 17 10.043 38.749 9.553 1.00 0.00 O ATOM 246 CB LEU A 17 9.231 41.550 8.007 1.00 0.00 C ATOM 247 CG LEU A 17 7.981 41.086 8.767 1.00 0.00 C ATOM 248 CD1 LEU A 17 7.843 41.864 10.076 1.00 0.00 C ATOM 249 CD2 LEU A 17 6.745 41.331 7.900 1.00 0.00 C ATOM 0 H LEU A 17 11.495 41.981 7.122 1.00 0.00 H new ATOM 0 HA LEU A 17 10.560 41.240 9.666 1.00 0.00 H new ATOM 0 HB2 LEU A 17 9.305 42.637 8.041 1.00 0.00 H new ATOM 0 HB3 LEU A 17 9.154 41.268 6.957 1.00 0.00 H new ATOM 0 HG LEU A 17 8.073 40.023 8.992 1.00 0.00 H new ATOM 0 HD11 LEU A 17 6.953 41.527 10.607 1.00 0.00 H new ATOM 0 HD12 LEU A 17 8.723 41.692 10.696 1.00 0.00 H new ATOM 0 HD13 LEU A 17 7.755 42.929 9.859 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.854 41.003 8.436 1.00 0.00 H new ATOM 0 HD22 LEU A 17 6.663 42.395 7.676 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.836 40.770 6.970 1.00 0.00 H new ATOM 261 N LYS A 18 10.668 38.832 7.393 1.00 0.00 N ATOM 262 CA LYS A 18 10.605 37.383 7.232 1.00 0.00 C ATOM 263 C LYS A 18 11.516 36.697 8.236 1.00 0.00 C ATOM 264 O LYS A 18 11.115 35.741 8.892 1.00 0.00 O ATOM 265 CB LYS A 18 11.042 36.983 5.822 1.00 0.00 C ATOM 266 CG LYS A 18 10.033 37.499 4.798 1.00 0.00 C ATOM 267 CD LYS A 18 10.422 37.013 3.404 1.00 0.00 C ATOM 268 CE LYS A 18 9.500 37.660 2.372 1.00 0.00 C ATOM 269 NZ LYS A 18 8.847 36.599 1.552 1.00 0.00 N1+ ATOM 0 H LYS A 18 10.947 39.345 6.557 1.00 0.00 H new ATOM 0 HA LYS A 18 9.574 37.072 7.399 1.00 0.00 H new ATOM 0 HB2 LYS A 18 12.030 37.391 5.609 1.00 0.00 H new ATOM 0 HB3 LYS A 18 11.123 35.898 5.751 1.00 0.00 H new ATOM 0 HG2 LYS A 18 9.032 37.148 5.050 1.00 0.00 H new ATOM 0 HG3 LYS A 18 10.003 38.588 4.819 1.00 0.00 H new ATOM 0 HD2 LYS A 18 11.460 37.269 3.193 1.00 0.00 H new ATOM 0 HD3 LYS A 18 10.344 35.927 3.349 1.00 0.00 H new ATOM 0 HE2 LYS A 18 8.744 38.264 2.873 1.00 0.00 H new ATOM 0 HE3 LYS A 18 10.070 38.331 1.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 7.967 36.971 1.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 9.490 36.305 0.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 8.628 35.780 2.155 1.00 0.00 H new ATOM 283 N GLN A 19 12.742 37.189 8.364 1.00 0.00 N ATOM 284 CA GLN A 19 13.674 36.587 9.304 1.00 0.00 C ATOM 285 C GLN A 19 13.088 36.636 10.710 1.00 0.00 C ATOM 286 O GLN A 19 13.192 35.672 11.464 1.00 0.00 O ATOM 287 CB GLN A 19 15.017 37.322 9.273 1.00 0.00 C ATOM 288 CG GLN A 19 15.628 37.242 7.869 1.00 0.00 C ATOM 289 CD GLN A 19 15.807 35.788 7.437 1.00 0.00 C ATOM 290 OE1 GLN A 19 16.268 34.955 8.218 1.00 0.00 O ATOM 291 NE2 GLN A 19 15.474 35.437 6.224 1.00 0.00 N ATOM 0 H GLN A 19 13.107 37.985 7.841 1.00 0.00 H new ATOM 0 HA GLN A 19 13.840 35.549 9.017 1.00 0.00 H new ATOM 0 HB2 GLN A 19 14.877 38.365 9.558 1.00 0.00 H new ATOM 0 HB3 GLN A 19 15.699 36.881 10.001 1.00 0.00 H new ATOM 0 HG2 GLN A 19 14.985 37.761 7.158 1.00 0.00 H new ATOM 0 HG3 GLN A 19 16.592 37.751 7.858 1.00 0.00 H new ATOM 0 HE21 GLN A 19 15.092 36.129 5.579 1.00 0.00 H new ATOM 0 HE22 GLN A 19 15.595 34.471 5.921 1.00 0.00 H new ATOM 300 N ASP A 20 12.460 37.759 11.055 1.00 0.00 N ATOM 301 CA ASP A 20 11.856 37.899 12.373 1.00 0.00 C ATOM 302 C ASP A 20 10.818 36.811 12.584 1.00 0.00 C ATOM 303 O ASP A 20 10.771 36.171 13.632 1.00 0.00 O ATOM 304 CB ASP A 20 11.156 39.257 12.480 1.00 0.00 C ATOM 305 CG ASP A 20 12.174 40.391 12.464 1.00 0.00 C ATOM 306 OD1 ASP A 20 13.313 40.148 12.822 1.00 0.00 O1- ATOM 307 OD2 ASP A 20 11.793 41.494 12.104 1.00 0.00 O ATOM 0 H ASP A 20 12.358 38.573 10.448 1.00 0.00 H new ATOM 0 HA ASP A 20 12.641 37.819 13.125 1.00 0.00 H new ATOM 0 HB2 ASP A 20 10.457 39.378 11.652 1.00 0.00 H new ATOM 0 HB3 ASP A 20 10.572 39.299 13.399 1.00 0.00 H new ATOM 312 N PHE A 21 9.990 36.615 11.569 1.00 0.00 N ATOM 313 CA PHE A 21 8.943 35.610 11.626 1.00 0.00 C ATOM 314 C PHE A 21 9.555 34.218 11.711 1.00 0.00 C ATOM 315 O PHE A 21 9.159 33.400 12.544 1.00 0.00 O ATOM 316 CB PHE A 21 8.066 35.731 10.381 1.00 0.00 C ATOM 317 CG PHE A 21 7.136 36.922 10.516 1.00 0.00 C ATOM 318 CD1 PHE A 21 7.409 37.951 11.436 1.00 0.00 C ATOM 319 CD2 PHE A 21 5.991 36.993 9.713 1.00 0.00 C ATOM 320 CE1 PHE A 21 6.537 39.040 11.544 1.00 0.00 C ATOM 321 CE2 PHE A 21 5.122 38.085 9.825 1.00 0.00 C ATOM 322 CZ PHE A 21 5.394 39.106 10.741 1.00 0.00 C ATOM 0 H PHE A 21 10.024 37.140 10.695 1.00 0.00 H new ATOM 0 HA PHE A 21 8.332 35.769 12.515 1.00 0.00 H new ATOM 0 HB2 PHE A 21 8.691 35.846 9.495 1.00 0.00 H new ATOM 0 HB3 PHE A 21 7.485 34.819 10.245 1.00 0.00 H new ATOM 0 HD1 PHE A 21 8.290 37.900 12.058 1.00 0.00 H new ATOM 0 HD2 PHE A 21 5.778 36.204 9.006 1.00 0.00 H new ATOM 0 HE1 PHE A 21 6.747 39.831 12.249 1.00 0.00 H new ATOM 0 HE2 PHE A 21 4.241 38.139 9.203 1.00 0.00 H new ATOM 0 HZ PHE A 21 4.721 39.946 10.828 1.00 0.00 H new ATOM 332 N ILE A 22 10.537 33.962 10.862 1.00 0.00 N ATOM 333 CA ILE A 22 11.211 32.676 10.878 1.00 0.00 C ATOM 334 C ILE A 22 11.821 32.453 12.264 1.00 0.00 C ATOM 335 O ILE A 22 11.686 31.379 12.851 1.00 0.00 O ATOM 336 CB ILE A 22 12.291 32.635 9.789 1.00 0.00 C ATOM 337 CG1 ILE A 22 11.631 32.779 8.412 1.00 0.00 C ATOM 338 CG2 ILE A 22 13.035 31.303 9.844 1.00 0.00 C ATOM 339 CD1 ILE A 22 12.708 32.818 7.325 1.00 0.00 C ATOM 0 H ILE A 22 10.881 34.619 10.162 1.00 0.00 H new ATOM 0 HA ILE A 22 10.497 31.878 10.671 1.00 0.00 H new ATOM 0 HB ILE A 22 12.994 33.452 9.954 1.00 0.00 H new ATOM 0 HG12 ILE A 22 10.952 31.945 8.235 1.00 0.00 H new ATOM 0 HG13 ILE A 22 11.033 33.690 8.378 1.00 0.00 H new ATOM 0 HG21 ILE A 22 13.800 31.281 9.068 1.00 0.00 H new ATOM 0 HG22 ILE A 22 13.505 31.189 10.821 1.00 0.00 H new ATOM 0 HG23 ILE A 22 12.331 30.486 9.683 1.00 0.00 H new ATOM 0 HD11 ILE A 22 12.235 32.920 6.348 1.00 0.00 H new ATOM 0 HD12 ILE A 22 13.370 33.667 7.499 1.00 0.00 H new ATOM 0 HD13 ILE A 22 13.287 31.895 7.353 1.00 0.00 H new ATOM 351 N SER A 23 12.488 33.489 12.777 1.00 0.00 N ATOM 352 CA SER A 23 13.116 33.422 14.096 1.00 0.00 C ATOM 353 C SER A 23 12.096 33.063 15.170 1.00 0.00 C ATOM 354 O SER A 23 12.351 32.216 16.022 1.00 0.00 O ATOM 355 CB SER A 23 13.730 34.774 14.464 1.00 0.00 C ATOM 356 OG SER A 23 14.687 35.156 13.486 1.00 0.00 O ATOM 0 H SER A 23 12.606 34.382 12.299 1.00 0.00 H new ATOM 0 HA SER A 23 13.888 32.654 14.048 1.00 0.00 H new ATOM 0 HB2 SER A 23 12.948 35.530 14.535 1.00 0.00 H new ATOM 0 HB3 SER A 23 14.204 34.713 15.444 1.00 0.00 H new ATOM 0 HG SER A 23 14.251 35.700 12.797 1.00 0.00 H new ATOM 362 N GLY A 24 10.942 33.715 15.123 1.00 0.00 N ATOM 363 CA GLY A 24 9.896 33.457 16.103 1.00 0.00 C ATOM 364 C GLY A 24 9.452 32.002 16.063 1.00 0.00 C ATOM 365 O GLY A 24 9.107 31.423 17.090 1.00 0.00 O ATOM 0 H GLY A 24 10.708 34.420 14.424 1.00 0.00 H new ATOM 0 HA2 GLY A 24 10.260 33.702 17.101 1.00 0.00 H new ATOM 0 HA3 GLY A 24 9.042 34.106 15.907 1.00 0.00 H new ATOM 369 N ILE A 25 9.467 31.415 14.872 1.00 0.00 N ATOM 370 CA ILE A 25 9.058 30.023 14.706 1.00 0.00 C ATOM 371 C ILE A 25 10.077 29.072 15.313 1.00 0.00 C ATOM 372 O ILE A 25 9.704 28.091 15.948 1.00 0.00 O ATOM 373 CB ILE A 25 8.889 29.722 13.215 1.00 0.00 C ATOM 374 CG1 ILE A 25 7.703 30.520 12.679 1.00 0.00 C ATOM 375 CG2 ILE A 25 8.634 28.232 12.997 1.00 0.00 C ATOM 376 CD1 ILE A 25 6.432 30.120 13.437 1.00 0.00 C ATOM 0 H ILE A 25 9.756 31.877 14.010 1.00 0.00 H new ATOM 0 HA ILE A 25 8.111 29.875 15.226 1.00 0.00 H new ATOM 0 HB ILE A 25 9.802 30.003 12.689 1.00 0.00 H new ATOM 0 HG12 ILE A 25 7.887 31.588 12.795 1.00 0.00 H new ATOM 0 HG13 ILE A 25 7.577 30.333 11.613 1.00 0.00 H new ATOM 0 HG21 ILE A 25 8.516 28.035 11.931 1.00 0.00 H new ATOM 0 HG22 ILE A 25 9.478 27.658 13.381 1.00 0.00 H new ATOM 0 HG23 ILE A 25 7.726 27.938 13.523 1.00 0.00 H new ATOM 0 HD11 ILE A 25 5.585 30.690 13.054 1.00 0.00 H new ATOM 0 HD12 ILE A 25 6.245 29.055 13.298 1.00 0.00 H new ATOM 0 HD13 ILE A 25 6.560 30.330 14.499 1.00 0.00 H new ATOM 388 N LEU A 26 11.358 29.365 15.128 1.00 0.00 N ATOM 389 CA LEU A 26 12.404 28.511 15.685 1.00 0.00 C ATOM 390 C LEU A 26 12.641 28.866 17.145 1.00 0.00 C ATOM 391 O LEU A 26 13.010 28.016 17.955 1.00 0.00 O ATOM 392 CB LEU A 26 13.703 28.667 14.886 1.00 0.00 C ATOM 393 CG LEU A 26 14.573 29.764 15.507 1.00 0.00 C ATOM 394 CD1 LEU A 26 15.270 29.230 16.763 1.00 0.00 C ATOM 395 CD2 LEU A 26 15.631 30.207 14.494 1.00 0.00 C ATOM 0 H LEU A 26 11.696 30.173 14.606 1.00 0.00 H new ATOM 0 HA LEU A 26 12.080 27.472 15.620 1.00 0.00 H new ATOM 0 HB2 LEU A 26 14.248 27.723 14.874 1.00 0.00 H new ATOM 0 HB3 LEU A 26 13.474 28.916 13.850 1.00 0.00 H new ATOM 0 HG LEU A 26 13.942 30.610 15.778 1.00 0.00 H new ATOM 0 HD11 LEU A 26 15.887 30.016 17.199 1.00 0.00 H new ATOM 0 HD12 LEU A 26 14.520 28.913 17.488 1.00 0.00 H new ATOM 0 HD13 LEU A 26 15.899 28.381 16.497 1.00 0.00 H new ATOM 0 HD21 LEU A 26 16.251 30.988 14.934 1.00 0.00 H new ATOM 0 HD22 LEU A 26 16.256 29.356 14.225 1.00 0.00 H new ATOM 0 HD23 LEU A 26 15.140 30.594 13.601 1.00 0.00 H new ATOM 407 N GLU A 27 12.416 30.131 17.468 1.00 0.00 N ATOM 408 CA GLU A 27 12.591 30.611 18.828 1.00 0.00 C ATOM 409 C GLU A 27 11.456 30.126 19.718 1.00 0.00 C ATOM 410 O GLU A 27 11.682 29.666 20.840 1.00 0.00 O ATOM 411 CB GLU A 27 12.624 32.139 18.825 1.00 0.00 C ATOM 412 CG GLU A 27 13.202 32.649 20.142 1.00 0.00 C ATOM 413 CD GLU A 27 12.164 32.536 21.250 1.00 0.00 C ATOM 414 OE1 GLU A 27 11.035 32.188 20.945 1.00 0.00 O1- ATOM 415 OE2 GLU A 27 12.511 32.801 22.387 1.00 0.00 O ATOM 0 H GLU A 27 12.111 30.843 16.805 1.00 0.00 H new ATOM 0 HA GLU A 27 13.530 30.221 19.221 1.00 0.00 H new ATOM 0 HB2 GLU A 27 13.227 32.497 17.990 1.00 0.00 H new ATOM 0 HB3 GLU A 27 11.618 32.533 18.683 1.00 0.00 H new ATOM 0 HG2 GLU A 27 14.090 32.074 20.405 1.00 0.00 H new ATOM 0 HG3 GLU A 27 13.516 33.687 20.032 1.00 0.00 H new ATOM 422 N ASN A 28 10.230 30.244 19.215 1.00 0.00 N ATOM 423 CA ASN A 28 9.060 29.833 19.977 1.00 0.00 C ATOM 424 C ASN A 28 8.751 28.358 19.785 1.00 0.00 C ATOM 425 O ASN A 28 9.181 27.730 18.818 1.00 0.00 O ATOM 426 CB ASN A 28 7.847 30.663 19.562 1.00 0.00 C ATOM 427 CG ASN A 28 8.079 32.119 19.928 1.00 0.00 C ATOM 428 OD1 ASN A 28 8.844 32.413 20.847 1.00 0.00 O ATOM 429 ND2 ASN A 28 7.468 33.057 19.261 1.00 0.00 N ATOM 0 H ASN A 28 10.024 30.619 18.289 1.00 0.00 H new ATOM 0 HA ASN A 28 9.282 29.999 21.031 1.00 0.00 H new ATOM 0 HB2 ASN A 28 7.679 30.569 18.489 1.00 0.00 H new ATOM 0 HB3 ASN A 28 6.951 30.291 20.059 1.00 0.00 H new ATOM 0 HD21 ASN A 28 7.623 34.036 19.500 1.00 0.00 H new ATOM 0 HD22 ASN A 28 6.835 32.812 18.500 1.00 0.00 H new ATOM 436 N GLU A 29 7.989 27.818 20.722 1.00 0.00 N ATOM 437 CA GLU A 29 7.600 26.420 20.669 1.00 0.00 C ATOM 438 C GLU A 29 6.831 26.134 19.390 1.00 0.00 C ATOM 439 O GLU A 29 6.820 25.002 18.906 1.00 0.00 O ATOM 440 CB GLU A 29 6.726 26.087 21.871 1.00 0.00 C ATOM 441 CG GLU A 29 6.362 24.604 21.845 1.00 0.00 C ATOM 442 CD GLU A 29 5.481 24.276 23.043 1.00 0.00 C ATOM 443 OE1 GLU A 29 4.983 25.205 23.658 1.00 0.00 O1- ATOM 444 OE2 GLU A 29 5.315 23.102 23.328 1.00 0.00 O ATOM 0 H GLU A 29 7.628 28.327 21.528 1.00 0.00 H new ATOM 0 HA GLU A 29 8.499 25.804 20.687 1.00 0.00 H new ATOM 0 HB2 GLU A 29 7.254 26.326 22.794 1.00 0.00 H new ATOM 0 HB3 GLU A 29 5.821 26.694 21.855 1.00 0.00 H new ATOM 0 HG2 GLU A 29 5.840 24.363 20.919 1.00 0.00 H new ATOM 0 HG3 GLU A 29 7.267 23.996 21.868 1.00 0.00 H new ATOM 451 N GLN A 30 6.190 27.167 18.849 1.00 0.00 N ATOM 452 CA GLN A 30 5.419 27.015 17.622 1.00 0.00 C ATOM 453 C GLN A 30 6.259 26.299 16.569 1.00 0.00 C ATOM 454 O GLN A 30 5.772 25.924 15.499 1.00 0.00 O ATOM 455 CB GLN A 30 4.997 28.391 17.100 1.00 0.00 C ATOM 456 CG GLN A 30 4.148 29.097 18.160 1.00 0.00 C ATOM 457 CD GLN A 30 2.850 28.327 18.379 1.00 0.00 C ATOM 458 OE1 GLN A 30 2.128 28.041 17.422 1.00 0.00 O ATOM 459 NE2 GLN A 30 2.509 27.967 19.587 1.00 0.00 N ATOM 0 H GLN A 30 6.190 28.110 19.238 1.00 0.00 H new ATOM 0 HA GLN A 30 4.528 26.423 17.832 1.00 0.00 H new ATOM 0 HB2 GLN A 30 5.878 28.989 16.866 1.00 0.00 H new ATOM 0 HB3 GLN A 30 4.429 28.283 16.176 1.00 0.00 H new ATOM 0 HG2 GLN A 30 4.702 29.167 19.096 1.00 0.00 H new ATOM 0 HG3 GLN A 30 3.928 30.116 17.843 1.00 0.00 H new ATOM 0 HE21 GLN A 30 3.108 28.204 20.378 1.00 0.00 H new ATOM 0 HE22 GLN A 30 1.644 27.448 19.740 1.00 0.00 H new ATOM 468 N LYS A 31 7.534 26.121 16.878 1.00 0.00 N ATOM 469 CA LYS A 31 8.444 25.462 15.959 1.00 0.00 C ATOM 470 C LYS A 31 7.934 24.073 15.572 1.00 0.00 C ATOM 471 O LYS A 31 8.050 23.654 14.423 1.00 0.00 O ATOM 472 CB LYS A 31 9.814 25.320 16.605 1.00 0.00 C ATOM 473 CG LYS A 31 10.798 24.789 15.569 1.00 0.00 C ATOM 474 CD LYS A 31 12.145 24.556 16.238 1.00 0.00 C ATOM 475 CE LYS A 31 13.193 24.246 15.174 1.00 0.00 C ATOM 476 NZ LYS A 31 14.546 24.354 15.780 1.00 0.00 N1+ ATOM 0 H LYS A 31 7.959 26.423 17.755 1.00 0.00 H new ATOM 0 HA LYS A 31 8.511 26.074 15.060 1.00 0.00 H new ATOM 0 HB2 LYS A 31 10.152 26.283 16.986 1.00 0.00 H new ATOM 0 HB3 LYS A 31 9.760 24.641 17.456 1.00 0.00 H new ATOM 0 HG2 LYS A 31 10.426 23.859 15.138 1.00 0.00 H new ATOM 0 HG3 LYS A 31 10.903 25.500 14.750 1.00 0.00 H new ATOM 0 HD2 LYS A 31 12.438 25.438 16.807 1.00 0.00 H new ATOM 0 HD3 LYS A 31 12.074 23.730 16.946 1.00 0.00 H new ATOM 0 HE2 LYS A 31 13.039 23.244 14.774 1.00 0.00 H new ATOM 0 HE3 LYS A 31 13.098 24.940 14.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 15.267 24.144 15.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 14.689 25.319 16.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 14.631 23.675 16.563 1.00 0.00 H new ATOM 490 N ASP A 32 7.375 23.366 16.541 1.00 0.00 N ATOM 491 CA ASP A 32 6.853 22.029 16.293 1.00 0.00 C ATOM 492 C ASP A 32 5.752 22.081 15.242 1.00 0.00 C ATOM 493 O ASP A 32 5.571 21.145 14.462 1.00 0.00 O ATOM 494 CB ASP A 32 6.303 21.438 17.593 1.00 0.00 C ATOM 495 CG ASP A 32 7.453 21.140 18.548 1.00 0.00 C ATOM 496 OD1 ASP A 32 8.569 21.013 18.073 1.00 0.00 O ATOM 497 OD2 ASP A 32 7.204 21.049 19.740 1.00 0.00 O1- ATOM 0 H ASP A 32 7.271 23.692 17.502 1.00 0.00 H new ATOM 0 HA ASP A 32 7.661 21.397 15.925 1.00 0.00 H new ATOM 0 HB2 ASP A 32 5.605 22.137 18.055 1.00 0.00 H new ATOM 0 HB3 ASP A 32 5.747 20.525 17.382 1.00 0.00 H new ATOM 502 N LEU A 33 5.017 23.185 15.238 1.00 0.00 N ATOM 503 CA LEU A 33 3.925 23.361 14.293 1.00 0.00 C ATOM 504 C LEU A 33 4.457 23.497 12.870 1.00 0.00 C ATOM 505 O LEU A 33 3.910 22.905 11.940 1.00 0.00 O ATOM 506 CB LEU A 33 3.112 24.607 14.651 1.00 0.00 C ATOM 507 CG LEU A 33 2.312 24.379 15.945 1.00 0.00 C ATOM 508 CD1 LEU A 33 1.086 23.515 15.650 1.00 0.00 C ATOM 509 CD2 LEU A 33 3.173 23.676 17.000 1.00 0.00 C ATOM 0 H LEU A 33 5.157 23.968 15.876 1.00 0.00 H new ATOM 0 HA LEU A 33 3.285 22.480 14.349 1.00 0.00 H new ATOM 0 HB2 LEU A 33 3.779 25.460 14.775 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.432 24.851 13.835 1.00 0.00 H new ATOM 0 HG LEU A 33 2.001 25.351 16.329 1.00 0.00 H new ATOM 0 HD11 LEU A 33 0.523 23.356 16.570 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.453 24.019 14.919 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.407 22.553 15.250 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.587 23.525 17.906 1.00 0.00 H new ATOM 0 HD22 LEU A 33 3.503 22.711 16.616 1.00 0.00 H new ATOM 0 HD23 LEU A 33 4.043 24.292 17.229 1.00 0.00 H new ATOM 521 N VAL A 34 5.528 24.274 12.696 1.00 0.00 N ATOM 522 CA VAL A 34 6.095 24.445 11.357 1.00 0.00 C ATOM 523 C VAL A 34 6.579 23.097 10.829 1.00 0.00 C ATOM 524 O VAL A 34 6.503 22.813 9.631 1.00 0.00 O ATOM 525 CB VAL A 34 7.233 25.484 11.348 1.00 0.00 C ATOM 526 CG1 VAL A 34 8.465 24.971 12.092 1.00 0.00 C ATOM 527 CG2 VAL A 34 7.622 25.782 9.901 1.00 0.00 C ATOM 0 H VAL A 34 6.008 24.781 13.440 1.00 0.00 H new ATOM 0 HA VAL A 34 5.314 24.826 10.699 1.00 0.00 H new ATOM 0 HB VAL A 34 6.877 26.384 11.850 1.00 0.00 H new ATOM 0 HG11 VAL A 34 9.248 25.729 12.066 1.00 0.00 H new ATOM 0 HG12 VAL A 34 8.202 24.757 13.128 1.00 0.00 H new ATOM 0 HG13 VAL A 34 8.826 24.060 11.614 1.00 0.00 H new ATOM 0 HG21 VAL A 34 8.427 26.517 9.885 1.00 0.00 H new ATOM 0 HG22 VAL A 34 7.958 24.864 9.418 1.00 0.00 H new ATOM 0 HG23 VAL A 34 6.759 26.178 9.366 1.00 0.00 H new ATOM 537 N ALA A 35 7.054 22.258 11.739 1.00 0.00 N ATOM 538 CA ALA A 35 7.523 20.939 11.360 1.00 0.00 C ATOM 539 C ALA A 35 6.354 20.119 10.834 1.00 0.00 C ATOM 540 O ALA A 35 6.437 19.524 9.763 1.00 0.00 O ATOM 541 CB ALA A 35 8.149 20.246 12.570 1.00 0.00 C ATOM 0 H ALA A 35 7.123 22.467 12.735 1.00 0.00 H new ATOM 0 HA ALA A 35 8.277 21.031 10.578 1.00 0.00 H new ATOM 0 HB1 ALA A 35 8.500 19.255 12.281 1.00 0.00 H new ATOM 0 HB2 ALA A 35 8.990 20.837 12.933 1.00 0.00 H new ATOM 0 HB3 ALA A 35 7.404 20.151 13.360 1.00 0.00 H new ATOM 547 N LYS A 36 5.253 20.121 11.585 1.00 0.00 N ATOM 548 CA LYS A 36 4.063 19.392 11.174 1.00 0.00 C ATOM 549 C LYS A 36 3.557 19.925 9.840 1.00 0.00 C ATOM 550 O LYS A 36 3.109 19.165 8.982 1.00 0.00 O ATOM 551 CB LYS A 36 2.970 19.530 12.236 1.00 0.00 C ATOM 552 CG LYS A 36 3.420 18.835 13.524 1.00 0.00 C ATOM 553 CD LYS A 36 2.220 18.640 14.455 1.00 0.00 C ATOM 554 CE LYS A 36 1.866 19.967 15.132 1.00 0.00 C ATOM 555 NZ LYS A 36 0.668 19.772 15.995 1.00 0.00 N1+ ATOM 0 H LYS A 36 5.164 20.616 12.473 1.00 0.00 H new ATOM 0 HA LYS A 36 4.319 18.338 11.061 1.00 0.00 H new ATOM 0 HB2 LYS A 36 2.767 20.583 12.430 1.00 0.00 H new ATOM 0 HB3 LYS A 36 2.041 19.088 11.877 1.00 0.00 H new ATOM 0 HG2 LYS A 36 3.870 17.870 13.289 1.00 0.00 H new ATOM 0 HG3 LYS A 36 4.185 19.431 14.022 1.00 0.00 H new ATOM 0 HD2 LYS A 36 1.365 18.271 13.888 1.00 0.00 H new ATOM 0 HD3 LYS A 36 2.452 17.887 15.209 1.00 0.00 H new ATOM 0 HE2 LYS A 36 2.706 20.319 15.730 1.00 0.00 H new ATOM 0 HE3 LYS A 36 1.667 20.731 14.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 0.423 20.671 16.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -0.132 19.454 15.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 0.875 19.055 16.719 1.00 0.00 H new ATOM 569 N LEU A 37 3.640 21.240 9.675 1.00 0.00 N ATOM 570 CA LEU A 37 3.194 21.879 8.445 1.00 0.00 C ATOM 571 C LEU A 37 3.916 21.279 7.241 1.00 0.00 C ATOM 572 O LEU A 37 3.324 21.104 6.176 1.00 0.00 O ATOM 573 CB LEU A 37 3.464 23.383 8.517 1.00 0.00 C ATOM 574 CG LEU A 37 2.698 24.089 7.396 1.00 0.00 C ATOM 575 CD1 LEU A 37 2.450 25.547 7.787 1.00 0.00 C ATOM 576 CD2 LEU A 37 3.506 24.034 6.095 1.00 0.00 C ATOM 0 H LEU A 37 4.011 21.882 10.376 1.00 0.00 H new ATOM 0 HA LEU A 37 2.123 21.709 8.329 1.00 0.00 H new ATOM 0 HB2 LEU A 37 3.155 23.774 9.486 1.00 0.00 H new ATOM 0 HB3 LEU A 37 4.532 23.577 8.421 1.00 0.00 H new ATOM 0 HG LEU A 37 1.743 23.586 7.242 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.904 26.050 6.989 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.864 25.583 8.705 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.405 26.049 7.946 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.954 24.539 5.302 1.00 0.00 H new ATOM 0 HD22 LEU A 37 4.466 24.530 6.241 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.674 22.994 5.815 1.00 0.00 H new ATOM 588 N THR A 38 5.198 20.951 7.422 1.00 0.00 N ATOM 589 CA THR A 38 5.985 20.354 6.342 1.00 0.00 C ATOM 590 C THR A 38 6.596 19.038 6.803 1.00 0.00 C ATOM 591 O THR A 38 6.026 17.965 6.597 1.00 0.00 O ATOM 592 CB THR A 38 7.108 21.301 5.910 1.00 0.00 C ATOM 593 OG1 THR A 38 6.555 22.551 5.525 1.00 0.00 O ATOM 594 CG2 THR A 38 7.868 20.690 4.730 1.00 0.00 C ATOM 0 H THR A 38 5.707 21.087 8.295 1.00 0.00 H new ATOM 0 HA THR A 38 5.320 20.174 5.497 1.00 0.00 H new ATOM 0 HB THR A 38 7.795 21.452 6.743 1.00 0.00 H new ATOM 0 HG1 THR A 38 7.123 22.963 4.841 1.00 0.00 H new ATOM 0 HG21 THR A 38 8.667 21.365 4.423 1.00 0.00 H new ATOM 0 HG22 THR A 38 8.296 19.733 5.029 1.00 0.00 H new ATOM 0 HG23 THR A 38 7.183 20.536 3.896 1.00 0.00 H new ATOM 602 N ASN A 39 7.759 19.138 7.438 1.00 0.00 N ATOM 603 CA ASN A 39 8.455 17.962 7.944 1.00 0.00 C ATOM 604 C ASN A 39 9.737 18.371 8.660 1.00 0.00 C ATOM 605 O ASN A 39 9.708 19.139 9.621 1.00 0.00 O ATOM 606 CB ASN A 39 8.792 17.003 6.803 1.00 0.00 C ATOM 607 CG ASN A 39 9.198 15.654 7.385 1.00 0.00 C ATOM 608 OD1 ASN A 39 9.341 15.523 8.602 1.00 0.00 O ATOM 609 ND2 ASN A 39 9.392 14.637 6.593 1.00 0.00 N ATOM 0 H ASN A 39 8.239 20.021 7.614 1.00 0.00 H new ATOM 0 HA ASN A 39 7.795 17.456 8.649 1.00 0.00 H new ATOM 0 HB2 ASN A 39 7.931 16.884 6.145 1.00 0.00 H new ATOM 0 HB3 ASN A 39 9.602 17.410 6.197 1.00 0.00 H new ATOM 0 HD21 ASN A 39 9.662 13.733 6.981 1.00 0.00 H new ATOM 0 HD22 ASN A 39 9.274 14.745 5.586 1.00 0.00 H new ATOM 616 N SER A 40 10.859 17.848 8.186 1.00 0.00 N ATOM 617 CA SER A 40 12.149 18.160 8.790 1.00 0.00 C ATOM 618 C SER A 40 12.572 19.585 8.426 1.00 0.00 C ATOM 619 O SER A 40 12.918 19.860 7.277 1.00 0.00 O ATOM 620 CB SER A 40 13.191 17.152 8.296 1.00 0.00 C ATOM 621 OG SER A 40 14.365 17.247 9.092 1.00 0.00 O ATOM 0 H SER A 40 10.904 17.210 7.391 1.00 0.00 H new ATOM 0 HA SER A 40 12.069 18.094 9.875 1.00 0.00 H new ATOM 0 HB2 SER A 40 12.786 16.141 8.347 1.00 0.00 H new ATOM 0 HB3 SER A 40 13.432 17.346 7.251 1.00 0.00 H new ATOM 0 HG SER A 40 15.029 16.600 8.774 1.00 0.00 H new ATOM 627 N ASP A 41 12.525 20.491 9.408 1.00 0.00 N ATOM 628 CA ASP A 41 12.888 21.888 9.161 1.00 0.00 C ATOM 629 C ASP A 41 13.418 22.580 10.422 1.00 0.00 C ATOM 630 O ASP A 41 12.664 22.815 11.368 1.00 0.00 O ATOM 631 CB ASP A 41 11.665 22.657 8.676 1.00 0.00 C ATOM 632 CG ASP A 41 12.011 24.132 8.501 1.00 0.00 C ATOM 633 OD1 ASP A 41 12.624 24.689 9.398 1.00 0.00 O ATOM 634 OD2 ASP A 41 11.658 24.685 7.471 1.00 0.00 O1- ATOM 0 H ASP A 41 12.244 20.286 10.367 1.00 0.00 H new ATOM 0 HA ASP A 41 13.676 21.886 8.408 1.00 0.00 H new ATOM 0 HB2 ASP A 41 11.316 22.242 7.730 1.00 0.00 H new ATOM 0 HB3 ASP A 41 10.850 22.549 9.392 1.00 0.00 H new ATOM 639 N PRO A 42 14.678 22.942 10.439 1.00 0.00 N ATOM 640 CA PRO A 42 15.293 23.654 11.588 1.00 0.00 C ATOM 641 C PRO A 42 15.120 25.173 11.488 1.00 0.00 C ATOM 642 O PRO A 42 14.427 25.787 12.299 1.00 0.00 O ATOM 643 CB PRO A 42 16.769 23.280 11.475 1.00 0.00 C ATOM 644 CG PRO A 42 17.012 23.068 10.013 1.00 0.00 C ATOM 645 CD PRO A 42 15.666 22.697 9.376 1.00 0.00 C ATOM 0 HA PRO A 42 14.836 23.376 12.538 1.00 0.00 H new ATOM 0 HB2 PRO A 42 17.407 24.071 11.869 1.00 0.00 H new ATOM 0 HB3 PRO A 42 16.991 22.378 12.045 1.00 0.00 H new ATOM 0 HG2 PRO A 42 17.418 23.971 9.556 1.00 0.00 H new ATOM 0 HG3 PRO A 42 17.743 22.275 9.856 1.00 0.00 H new ATOM 0 HD2 PRO A 42 15.462 23.306 8.496 1.00 0.00 H new ATOM 0 HD3 PRO A 42 15.653 21.656 9.053 1.00 0.00 H new ATOM 653 N ILE A 43 15.774 25.766 10.493 1.00 0.00 N ATOM 654 CA ILE A 43 15.712 27.215 10.292 1.00 0.00 C ATOM 655 C ILE A 43 14.886 27.584 9.063 1.00 0.00 C ATOM 656 O ILE A 43 14.280 28.651 9.018 1.00 0.00 O ATOM 657 CB ILE A 43 17.127 27.783 10.139 1.00 0.00 C ATOM 658 CG1 ILE A 43 17.953 27.434 11.376 1.00 0.00 C ATOM 659 CG2 ILE A 43 17.064 29.305 9.993 1.00 0.00 C ATOM 660 CD1 ILE A 43 19.430 27.734 11.103 1.00 0.00 C ATOM 0 H ILE A 43 16.352 25.270 9.814 1.00 0.00 H new ATOM 0 HA ILE A 43 15.228 27.645 11.168 1.00 0.00 H new ATOM 0 HB ILE A 43 17.589 27.352 9.251 1.00 0.00 H new ATOM 0 HG12 ILE A 43 17.606 28.011 12.233 1.00 0.00 H new ATOM 0 HG13 ILE A 43 17.825 26.381 11.627 1.00 0.00 H new ATOM 0 HG21 ILE A 43 18.073 29.702 9.885 1.00 0.00 H new ATOM 0 HG22 ILE A 43 16.476 29.562 9.112 1.00 0.00 H new ATOM 0 HG23 ILE A 43 16.597 29.736 10.879 1.00 0.00 H new ATOM 0 HD11 ILE A 43 20.021 27.486 11.985 1.00 0.00 H new ATOM 0 HD12 ILE A 43 19.772 27.138 10.257 1.00 0.00 H new ATOM 0 HD13 ILE A 43 19.550 28.793 10.873 1.00 0.00 H new ATOM 672 N MET A 44 14.887 26.721 8.051 1.00 0.00 N ATOM 673 CA MET A 44 14.146 27.021 6.830 1.00 0.00 C ATOM 674 C MET A 44 12.708 27.433 7.140 1.00 0.00 C ATOM 675 O MET A 44 12.154 28.314 6.484 1.00 0.00 O ATOM 676 CB MET A 44 14.139 25.824 5.876 1.00 0.00 C ATOM 677 CG MET A 44 13.267 26.185 4.674 1.00 0.00 C ATOM 678 SD MET A 44 13.260 24.855 3.456 1.00 0.00 S ATOM 679 CE MET A 44 12.060 25.636 2.348 1.00 0.00 C ATOM 0 H MET A 44 15.380 25.828 8.050 1.00 0.00 H new ATOM 0 HA MET A 44 14.655 27.855 6.346 1.00 0.00 H new ATOM 0 HB2 MET A 44 15.153 25.587 5.554 1.00 0.00 H new ATOM 0 HB3 MET A 44 13.749 24.939 6.378 1.00 0.00 H new ATOM 0 HG2 MET A 44 12.248 26.384 5.006 1.00 0.00 H new ATOM 0 HG3 MET A 44 13.637 27.102 4.214 1.00 0.00 H new ATOM 0 HE1 MET A 44 11.761 24.926 1.577 1.00 0.00 H new ATOM 0 HE2 MET A 44 11.183 25.942 2.919 1.00 0.00 H new ATOM 0 HE3 MET A 44 12.512 26.511 1.880 1.00 0.00 H new ATOM 689 N ASN A 45 12.108 26.799 8.134 1.00 0.00 N ATOM 690 CA ASN A 45 10.739 27.134 8.511 1.00 0.00 C ATOM 691 C ASN A 45 9.843 27.268 7.283 1.00 0.00 C ATOM 692 O ASN A 45 9.061 28.210 7.187 1.00 0.00 O ATOM 693 CB ASN A 45 10.718 28.438 9.310 1.00 0.00 C ATOM 694 CG ASN A 45 11.508 28.267 10.601 1.00 0.00 C ATOM 695 OD1 ASN A 45 11.458 29.126 11.481 1.00 0.00 O ATOM 696 ND2 ASN A 45 12.244 27.203 10.766 1.00 0.00 N ATOM 0 H ASN A 45 12.537 26.059 8.690 1.00 0.00 H new ATOM 0 HA ASN A 45 10.354 26.322 9.128 1.00 0.00 H new ATOM 0 HB2 ASN A 45 11.146 29.246 8.716 1.00 0.00 H new ATOM 0 HB3 ASN A 45 9.690 28.719 9.537 1.00 0.00 H new ATOM 0 HD21 ASN A 45 12.780 27.082 11.626 1.00 0.00 H new ATOM 0 HD22 ASN A 45 12.284 26.492 10.035 1.00 0.00 H new ATOM 703 N GLN A 46 9.983 26.337 6.342 1.00 0.00 N ATOM 704 CA GLN A 46 9.192 26.360 5.107 1.00 0.00 C ATOM 705 C GLN A 46 9.272 27.728 4.435 1.00 0.00 C ATOM 706 O GLN A 46 8.255 28.352 4.141 1.00 0.00 O ATOM 707 CB GLN A 46 7.727 25.967 5.369 1.00 0.00 C ATOM 708 CG GLN A 46 7.076 26.900 6.394 1.00 0.00 C ATOM 709 CD GLN A 46 5.582 26.625 6.466 1.00 0.00 C ATOM 710 OE1 GLN A 46 5.132 25.838 7.299 1.00 0.00 O ATOM 711 NE2 GLN A 46 4.782 27.227 5.631 1.00 0.00 N ATOM 0 H GLN A 46 10.636 25.556 6.408 1.00 0.00 H new ATOM 0 HA GLN A 46 9.618 25.620 4.430 1.00 0.00 H new ATOM 0 HB2 GLN A 46 7.166 26.001 4.435 1.00 0.00 H new ATOM 0 HB3 GLN A 46 7.683 24.939 5.730 1.00 0.00 H new ATOM 0 HG2 GLN A 46 7.530 26.752 7.374 1.00 0.00 H new ATOM 0 HG3 GLN A 46 7.251 27.939 6.116 1.00 0.00 H new ATOM 0 HE21 GLN A 46 5.159 27.878 4.943 1.00 0.00 H new ATOM 0 HE22 GLN A 46 3.779 27.047 5.666 1.00 0.00 H new ATOM 720 N LEU A 47 10.505 28.176 4.209 1.00 0.00 N ATOM 721 CA LEU A 47 10.756 29.471 3.580 1.00 0.00 C ATOM 722 C LEU A 47 9.879 29.689 2.347 1.00 0.00 C ATOM 723 O LEU A 47 9.229 30.724 2.225 1.00 0.00 O ATOM 724 CB LEU A 47 12.227 29.585 3.166 1.00 0.00 C ATOM 725 CG LEU A 47 13.016 30.305 4.263 1.00 0.00 C ATOM 726 CD1 LEU A 47 14.505 29.987 4.134 1.00 0.00 C ATOM 727 CD2 LEU A 47 12.810 31.811 4.122 1.00 0.00 C ATOM 0 H LEU A 47 11.349 27.659 4.453 1.00 0.00 H new ATOM 0 HA LEU A 47 10.511 30.235 4.318 1.00 0.00 H new ATOM 0 HB2 LEU A 47 12.645 28.593 2.995 1.00 0.00 H new ATOM 0 HB3 LEU A 47 12.309 30.132 2.227 1.00 0.00 H new ATOM 0 HG LEU A 47 12.662 29.969 5.238 1.00 0.00 H new ATOM 0 HD11 LEU A 47 15.057 30.504 4.919 1.00 0.00 H new ATOM 0 HD12 LEU A 47 14.657 28.912 4.231 1.00 0.00 H new ATOM 0 HD13 LEU A 47 14.865 30.318 3.160 1.00 0.00 H new ATOM 0 HD21 LEU A 47 13.370 32.329 4.901 1.00 0.00 H new ATOM 0 HD22 LEU A 47 13.163 32.137 3.144 1.00 0.00 H new ATOM 0 HD23 LEU A 47 11.750 32.044 4.221 1.00 0.00 H new ATOM 739 N ASP A 48 9.887 28.734 1.421 1.00 0.00 N ATOM 740 CA ASP A 48 9.102 28.884 0.197 1.00 0.00 C ATOM 741 C ASP A 48 7.626 29.102 0.502 1.00 0.00 C ATOM 742 O ASP A 48 7.022 30.070 0.039 1.00 0.00 O ATOM 743 CB ASP A 48 9.243 27.641 -0.680 1.00 0.00 C ATOM 744 CG ASP A 48 8.382 27.806 -1.927 1.00 0.00 C ATOM 745 OD1 ASP A 48 7.848 28.889 -2.112 1.00 0.00 O ATOM 746 OD2 ASP A 48 8.267 26.853 -2.680 1.00 0.00 O1- ATOM 0 H ASP A 48 10.416 27.865 1.490 1.00 0.00 H new ATOM 0 HA ASP A 48 9.487 29.759 -0.327 1.00 0.00 H new ATOM 0 HB2 ASP A 48 10.286 27.496 -0.961 1.00 0.00 H new ATOM 0 HB3 ASP A 48 8.936 26.754 -0.126 1.00 0.00 H new ATOM 751 N LEU A 49 7.048 28.203 1.280 1.00 0.00 N ATOM 752 CA LEU A 49 5.643 28.313 1.634 1.00 0.00 C ATOM 753 C LEU A 49 5.415 29.554 2.480 1.00 0.00 C ATOM 754 O LEU A 49 4.410 30.251 2.328 1.00 0.00 O ATOM 755 CB LEU A 49 5.217 27.079 2.420 1.00 0.00 C ATOM 756 CG LEU A 49 5.722 25.815 1.718 1.00 0.00 C ATOM 757 CD1 LEU A 49 5.225 24.587 2.478 1.00 0.00 C ATOM 758 CD2 LEU A 49 5.200 25.768 0.278 1.00 0.00 C ATOM 0 H LEU A 49 7.526 27.394 1.676 1.00 0.00 H new ATOM 0 HA LEU A 49 5.052 28.389 0.721 1.00 0.00 H new ATOM 0 HB2 LEU A 49 5.616 27.127 3.433 1.00 0.00 H new ATOM 0 HB3 LEU A 49 4.131 27.049 2.506 1.00 0.00 H new ATOM 0 HG LEU A 49 6.812 25.825 1.700 1.00 0.00 H new ATOM 0 HD11 LEU A 49 5.581 23.684 1.983 1.00 0.00 H new ATOM 0 HD12 LEU A 49 5.603 24.614 3.500 1.00 0.00 H new ATOM 0 HD13 LEU A 49 4.135 24.586 2.494 1.00 0.00 H new ATOM 0 HD21 LEU A 49 5.565 24.865 -0.212 1.00 0.00 H new ATOM 0 HD22 LEU A 49 4.110 25.761 0.286 1.00 0.00 H new ATOM 0 HD23 LEU A 49 5.553 26.644 -0.266 1.00 0.00 H new ATOM 770 N LEU A 50 6.345 29.801 3.390 1.00 0.00 N ATOM 771 CA LEU A 50 6.245 30.939 4.287 1.00 0.00 C ATOM 772 C LEU A 50 6.160 32.230 3.479 1.00 0.00 C ATOM 773 O LEU A 50 5.332 33.092 3.769 1.00 0.00 O ATOM 774 CB LEU A 50 7.483 30.967 5.188 1.00 0.00 C ATOM 775 CG LEU A 50 7.225 31.825 6.422 1.00 0.00 C ATOM 776 CD1 LEU A 50 8.370 31.639 7.424 1.00 0.00 C ATOM 777 CD2 LEU A 50 7.148 33.288 6.012 1.00 0.00 C ATOM 0 H LEU A 50 7.177 29.227 3.526 1.00 0.00 H new ATOM 0 HA LEU A 50 5.347 30.850 4.898 1.00 0.00 H new ATOM 0 HB2 LEU A 50 7.743 29.953 5.491 1.00 0.00 H new ATOM 0 HB3 LEU A 50 8.334 31.362 4.634 1.00 0.00 H new ATOM 0 HG LEU A 50 6.285 31.523 6.884 1.00 0.00 H new ATOM 0 HD11 LEU A 50 8.185 32.252 8.306 1.00 0.00 H new ATOM 0 HD12 LEU A 50 8.430 30.591 7.717 1.00 0.00 H new ATOM 0 HD13 LEU A 50 9.310 31.941 6.962 1.00 0.00 H new ATOM 0 HD21 LEU A 50 6.964 33.903 6.893 1.00 0.00 H new ATOM 0 HD22 LEU A 50 8.090 33.587 5.551 1.00 0.00 H new ATOM 0 HD23 LEU A 50 6.336 33.424 5.298 1.00 0.00 H new ATOM 789 N HIS A 51 7.013 32.352 2.465 1.00 0.00 N ATOM 790 CA HIS A 51 7.029 33.535 1.616 1.00 0.00 C ATOM 791 C HIS A 51 5.678 33.734 0.941 1.00 0.00 C ATOM 792 O HIS A 51 5.134 34.836 0.939 1.00 0.00 O ATOM 793 CB HIS A 51 8.114 33.371 0.551 1.00 0.00 C ATOM 794 CG HIS A 51 9.458 33.434 1.214 1.00 0.00 C ATOM 795 ND1 HIS A 51 10.604 33.799 0.528 1.00 0.00 N ATOM 796 CD2 HIS A 51 9.849 33.223 2.512 1.00 0.00 C ATOM 797 CE1 HIS A 51 11.617 33.808 1.412 1.00 0.00 C ATOM 798 NE2 HIS A 51 11.212 33.467 2.635 1.00 0.00 N ATOM 0 H HIS A 51 7.702 31.644 2.213 1.00 0.00 H new ATOM 0 HA HIS A 51 7.238 34.409 2.233 1.00 0.00 H new ATOM 0 HB2 HIS A 51 7.993 32.420 0.033 1.00 0.00 H new ATOM 0 HB3 HIS A 51 8.027 34.156 -0.200 1.00 0.00 H new ATOM 0 HD1 HIS A 51 10.668 34.020 -0.466 1.00 0.00 H new ATOM 0 HD2 HIS A 51 9.197 32.914 3.316 1.00 0.00 H new ATOM 0 HE1 HIS A 51 12.636 34.061 1.161 1.00 0.00 H new ATOM 807 N LYS A 52 5.147 32.657 0.374 1.00 0.00 N ATOM 808 CA LYS A 52 3.856 32.718 -0.302 1.00 0.00 C ATOM 809 C LYS A 52 2.766 33.131 0.688 1.00 0.00 C ATOM 810 O LYS A 52 1.975 34.035 0.420 1.00 0.00 O ATOM 811 CB LYS A 52 3.522 31.345 -0.899 1.00 0.00 C ATOM 812 CG LYS A 52 4.594 30.940 -1.922 1.00 0.00 C ATOM 813 CD LYS A 52 4.455 31.788 -3.194 1.00 0.00 C ATOM 814 CE LYS A 52 5.263 31.143 -4.322 1.00 0.00 C ATOM 815 NZ LYS A 52 5.292 32.049 -5.505 1.00 0.00 N1+ ATOM 0 H LYS A 52 5.587 31.737 0.368 1.00 0.00 H new ATOM 0 HA LYS A 52 3.906 33.457 -1.102 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.464 30.599 -0.106 1.00 0.00 H new ATOM 0 HB3 LYS A 52 2.544 31.376 -1.379 1.00 0.00 H new ATOM 0 HG2 LYS A 52 5.587 31.074 -1.493 1.00 0.00 H new ATOM 0 HG3 LYS A 52 4.493 29.883 -2.167 1.00 0.00 H new ATOM 0 HD2 LYS A 52 3.406 31.865 -3.481 1.00 0.00 H new ATOM 0 HD3 LYS A 52 4.811 32.802 -3.010 1.00 0.00 H new ATOM 0 HE2 LYS A 52 6.279 30.940 -3.983 1.00 0.00 H new ATOM 0 HE3 LYS A 52 4.821 30.185 -4.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 5.842 31.606 -6.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 4.321 32.222 -5.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 5.734 32.952 -5.240 1.00 0.00 H new ATOM 829 N TRP A 53 2.728 32.448 1.830 1.00 0.00 N ATOM 830 CA TRP A 53 1.737 32.725 2.869 1.00 0.00 C ATOM 831 C TRP A 53 1.823 34.178 3.333 1.00 0.00 C ATOM 832 O TRP A 53 0.838 34.915 3.325 1.00 0.00 O ATOM 833 CB TRP A 53 2.024 31.805 4.058 1.00 0.00 C ATOM 834 CG TRP A 53 0.845 31.726 4.972 1.00 0.00 C ATOM 835 CD1 TRP A 53 -0.179 30.856 4.829 1.00 0.00 C ATOM 836 CD2 TRP A 53 0.558 32.503 6.177 1.00 0.00 C ATOM 837 NE1 TRP A 53 -1.076 31.045 5.861 1.00 0.00 N ATOM 838 CE2 TRP A 53 -0.672 32.049 6.716 1.00 0.00 C ATOM 839 CE3 TRP A 53 1.229 33.546 6.851 1.00 0.00 C ATOM 840 CZ2 TRP A 53 -1.213 32.604 7.876 1.00 0.00 C ATOM 841 CZ3 TRP A 53 0.681 34.107 8.021 1.00 0.00 C ATOM 842 CH2 TRP A 53 -0.536 33.635 8.530 1.00 0.00 C ATOM 0 H TRP A 53 3.376 31.695 2.061 1.00 0.00 H new ATOM 0 HA TRP A 53 0.738 32.551 2.468 1.00 0.00 H new ATOM 0 HB2 TRP A 53 2.277 30.808 3.698 1.00 0.00 H new ATOM 0 HB3 TRP A 53 2.890 32.174 4.607 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -0.279 30.130 4.036 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -1.935 30.507 5.977 1.00 0.00 H new ATOM 0 HE3 TRP A 53 2.168 33.916 6.467 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -2.151 32.238 8.266 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 1.202 34.905 8.529 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -0.950 34.069 9.428 1.00 0.00 H new ATOM 853 N LEU A 54 3.016 34.556 3.764 1.00 0.00 N ATOM 854 CA LEU A 54 3.258 35.900 4.271 1.00 0.00 C ATOM 855 C LEU A 54 2.844 36.952 3.254 1.00 0.00 C ATOM 856 O LEU A 54 2.122 37.894 3.584 1.00 0.00 O ATOM 857 CB LEU A 54 4.747 36.062 4.569 1.00 0.00 C ATOM 858 CG LEU A 54 4.995 37.395 5.269 1.00 0.00 C ATOM 859 CD1 LEU A 54 4.606 37.291 6.741 1.00 0.00 C ATOM 860 CD2 LEU A 54 6.476 37.758 5.173 1.00 0.00 C ATOM 0 H LEU A 54 3.836 33.949 3.773 1.00 0.00 H new ATOM 0 HA LEU A 54 2.667 36.037 5.176 1.00 0.00 H new ATOM 0 HB2 LEU A 54 5.092 35.241 5.198 1.00 0.00 H new ATOM 0 HB3 LEU A 54 5.319 36.016 3.642 1.00 0.00 H new ATOM 0 HG LEU A 54 4.392 38.164 4.785 1.00 0.00 H new ATOM 0 HD11 LEU A 54 4.786 38.247 7.233 1.00 0.00 H new ATOM 0 HD12 LEU A 54 3.549 37.035 6.821 1.00 0.00 H new ATOM 0 HD13 LEU A 54 5.204 36.517 7.222 1.00 0.00 H new ATOM 0 HD21 LEU A 54 6.650 38.710 5.674 1.00 0.00 H new ATOM 0 HD22 LEU A 54 7.073 36.982 5.652 1.00 0.00 H new ATOM 0 HD23 LEU A 54 6.763 37.841 4.125 1.00 0.00 H new ATOM 872 N ASP A 55 3.310 36.798 2.021 1.00 0.00 N ATOM 873 CA ASP A 55 2.985 37.759 0.979 1.00 0.00 C ATOM 874 C ASP A 55 1.476 37.929 0.850 1.00 0.00 C ATOM 875 O ASP A 55 0.978 39.048 0.733 1.00 0.00 O ATOM 876 CB ASP A 55 3.560 37.293 -0.356 1.00 0.00 C ATOM 877 CG ASP A 55 5.083 37.328 -0.310 1.00 0.00 C ATOM 878 OD1 ASP A 55 5.618 37.582 0.756 1.00 0.00 O ATOM 879 OD2 ASP A 55 5.693 37.107 -1.344 1.00 0.00 O1- ATOM 0 H ASP A 55 3.907 36.027 1.722 1.00 0.00 H new ATOM 0 HA ASP A 55 3.423 38.719 1.252 1.00 0.00 H new ATOM 0 HB2 ASP A 55 3.218 36.281 -0.575 1.00 0.00 H new ATOM 0 HB3 ASP A 55 3.198 37.933 -1.160 1.00 0.00 H new ATOM 884 N ARG A 56 0.750 36.816 0.874 1.00 0.00 N ATOM 885 CA ARG A 56 -0.702 36.857 0.760 1.00 0.00 C ATOM 886 C ARG A 56 -1.320 37.568 1.955 1.00 0.00 C ATOM 887 O ARG A 56 -2.374 38.196 1.844 1.00 0.00 O ATOM 888 CB ARG A 56 -1.256 35.430 0.679 1.00 0.00 C ATOM 889 CG ARG A 56 -2.774 35.471 0.474 1.00 0.00 C ATOM 890 CD ARG A 56 -3.083 35.698 -1.006 1.00 0.00 C ATOM 891 NE ARG A 56 -4.526 35.793 -1.218 1.00 0.00 N ATOM 892 CZ ARG A 56 -5.215 34.774 -1.727 1.00 0.00 C ATOM 893 NH1 ARG A 56 -4.602 33.662 -2.027 1.00 0.00 N ATOM 894 NH2 ARG A 56 -6.502 34.880 -1.927 1.00 0.00 N1+ ATOM 0 H ARG A 56 1.142 35.879 0.971 1.00 0.00 H new ATOM 0 HA ARG A 56 -0.958 37.407 -0.146 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -0.784 34.893 -0.144 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -1.018 34.886 1.593 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -3.222 34.536 0.811 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -3.211 36.269 1.074 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -2.598 36.612 -1.349 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -2.675 34.879 -1.599 1.00 0.00 H new ATOM 0 HE ARG A 56 -5.013 36.655 -0.972 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -3.598 33.575 -1.871 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -5.127 32.879 -2.417 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -6.985 35.747 -1.693 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -7.024 34.095 -2.317 1.00 0.00 H new ATOM 908 N HIS A 57 -0.673 37.440 3.104 1.00 0.00 N ATOM 909 CA HIS A 57 -1.182 38.051 4.323 1.00 0.00 C ATOM 910 C HIS A 57 -0.317 39.226 4.767 1.00 0.00 C ATOM 911 O HIS A 57 -0.439 39.699 5.892 1.00 0.00 O ATOM 912 CB HIS A 57 -1.232 36.996 5.426 1.00 0.00 C ATOM 913 CG HIS A 57 -2.136 35.879 4.983 1.00 0.00 C ATOM 914 ND1 HIS A 57 -3.512 36.028 4.917 1.00 0.00 N ATOM 915 CD2 HIS A 57 -1.877 34.602 4.555 1.00 0.00 C ATOM 916 CE1 HIS A 57 -4.023 34.870 4.460 1.00 0.00 C ATOM 917 NE2 HIS A 57 -3.070 33.969 4.223 1.00 0.00 N ATOM 0 H HIS A 57 0.199 36.923 3.218 1.00 0.00 H new ATOM 0 HA HIS A 57 -2.182 38.436 4.124 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -0.232 36.614 5.630 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -1.600 37.435 6.353 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -0.896 34.156 4.486 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -5.077 34.692 4.304 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -3.190 33.018 3.873 1.00 0.00 H new ATOM 926 N ARG A 58 0.548 39.703 3.878 1.00 0.00 N ATOM 927 CA ARG A 58 1.416 40.831 4.199 1.00 0.00 C ATOM 928 C ARG A 58 0.607 42.029 4.702 1.00 0.00 C ATOM 929 O ARG A 58 1.033 42.735 5.613 1.00 0.00 O ATOM 930 CB ARG A 58 2.197 41.243 2.953 1.00 0.00 C ATOM 931 CG ARG A 58 1.223 41.801 1.918 1.00 0.00 C ATOM 932 CD ARG A 58 1.957 42.023 0.598 1.00 0.00 C ATOM 933 NE ARG A 58 3.191 42.775 0.826 1.00 0.00 N ATOM 934 CZ ARG A 58 3.935 43.205 -0.191 1.00 0.00 C ATOM 935 NH1 ARG A 58 3.544 42.994 -1.419 1.00 0.00 N ATOM 936 NH2 ARG A 58 5.050 43.847 0.040 1.00 0.00 N1+ ATOM 0 H ARG A 58 0.667 39.330 2.936 1.00 0.00 H new ATOM 0 HA ARG A 58 2.099 40.519 4.989 1.00 0.00 H new ATOM 0 HB2 ARG A 58 2.945 41.993 3.209 1.00 0.00 H new ATOM 0 HB3 ARG A 58 2.732 40.386 2.543 1.00 0.00 H new ATOM 0 HG2 ARG A 58 0.393 41.109 1.773 1.00 0.00 H new ATOM 0 HG3 ARG A 58 0.797 42.740 2.272 1.00 0.00 H new ATOM 0 HD2 ARG A 58 2.188 41.063 0.136 1.00 0.00 H new ATOM 0 HD3 ARG A 58 1.315 42.565 -0.097 1.00 0.00 H new ATOM 0 HE ARG A 58 3.487 42.974 1.782 1.00 0.00 H new ATOM 0 HH11 ARG A 58 2.670 42.500 -1.598 1.00 0.00 H new ATOM 0 HH12 ARG A 58 4.113 43.323 -2.199 1.00 0.00 H new ATOM 0 HH21 ARG A 58 5.350 44.019 1.000 1.00 0.00 H new ATOM 0 HH22 ARG A 58 5.620 44.176 -0.739 1.00 0.00 H new ATOM 950 N ASP A 59 -0.558 42.249 4.100 1.00 0.00 N ATOM 951 CA ASP A 59 -1.417 43.372 4.492 1.00 0.00 C ATOM 952 C ASP A 59 -1.832 43.274 5.959 1.00 0.00 C ATOM 953 O ASP A 59 -2.020 44.290 6.629 1.00 0.00 O ATOM 954 CB ASP A 59 -2.659 43.427 3.604 1.00 0.00 C ATOM 955 CG ASP A 59 -3.431 44.713 3.872 1.00 0.00 C ATOM 956 OD1 ASP A 59 -3.089 45.401 4.819 1.00 0.00 O ATOM 957 OD2 ASP A 59 -4.349 44.996 3.122 1.00 0.00 O1- ATOM 0 H ASP A 59 -0.930 41.673 3.345 1.00 0.00 H new ATOM 0 HA ASP A 59 -0.841 44.288 4.363 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -2.369 43.379 2.554 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -3.295 42.563 3.799 1.00 0.00 H new ATOM 962 N MET A 60 -1.969 42.049 6.453 1.00 0.00 N ATOM 963 CA MET A 60 -2.356 41.834 7.843 1.00 0.00 C ATOM 964 C MET A 60 -1.373 42.541 8.774 1.00 0.00 C ATOM 965 O MET A 60 -1.716 42.918 9.891 1.00 0.00 O ATOM 966 CB MET A 60 -2.377 40.332 8.150 1.00 0.00 C ATOM 967 CG MET A 60 -0.945 39.815 8.342 1.00 0.00 C ATOM 968 SD MET A 60 -0.594 39.639 10.109 1.00 0.00 S ATOM 969 CE MET A 60 -1.200 37.945 10.293 1.00 0.00 C ATOM 0 H MET A 60 -1.819 41.195 5.916 1.00 0.00 H new ATOM 0 HA MET A 60 -3.353 42.245 8.002 1.00 0.00 H new ATOM 0 HB2 MET A 60 -2.964 40.145 9.049 1.00 0.00 H new ATOM 0 HB3 MET A 60 -2.861 39.793 7.336 1.00 0.00 H new ATOM 0 HG2 MET A 60 -0.824 38.855 7.840 1.00 0.00 H new ATOM 0 HG3 MET A 60 -0.234 40.505 7.887 1.00 0.00 H new ATOM 0 HE1 MET A 60 -1.078 37.625 11.328 1.00 0.00 H new ATOM 0 HE2 MET A 60 -2.255 37.905 10.023 1.00 0.00 H new ATOM 0 HE3 MET A 60 -0.633 37.283 9.639 1.00 0.00 H new ATOM 979 N CYS A 61 -0.149 42.708 8.292 1.00 0.00 N ATOM 980 CA CYS A 61 0.910 43.355 9.058 1.00 0.00 C ATOM 981 C CYS A 61 0.554 44.804 9.377 1.00 0.00 C ATOM 982 O CYS A 61 1.013 45.359 10.374 1.00 0.00 O ATOM 983 CB CYS A 61 2.201 43.331 8.238 1.00 0.00 C ATOM 984 SG CYS A 61 2.154 44.670 7.019 1.00 0.00 S ATOM 0 H CYS A 61 0.138 42.401 7.363 1.00 0.00 H new ATOM 0 HA CYS A 61 1.037 42.815 9.996 1.00 0.00 H new ATOM 0 HB2 CYS A 61 3.065 43.449 8.893 1.00 0.00 H new ATOM 0 HB3 CYS A 61 2.310 42.369 7.736 1.00 0.00 H new ATOM 0 HG CYS A 61 1.591 44.244 5.928 1.00 0.00 H new ATOM 990 N GLU A 62 -0.247 45.418 8.519 1.00 0.00 N ATOM 991 CA GLU A 62 -0.638 46.810 8.714 1.00 0.00 C ATOM 992 C GLU A 62 -1.683 46.956 9.821 1.00 0.00 C ATOM 993 O GLU A 62 -1.971 48.068 10.261 1.00 0.00 O ATOM 994 CB GLU A 62 -1.216 47.372 7.411 1.00 0.00 C ATOM 995 CG GLU A 62 -0.116 47.509 6.354 1.00 0.00 C ATOM 996 CD GLU A 62 -0.724 48.000 5.042 1.00 0.00 C ATOM 997 OE1 GLU A 62 -1.921 48.246 5.023 1.00 0.00 O1- ATOM 998 OE2 GLU A 62 0.015 48.121 4.077 1.00 0.00 O ATOM 0 H GLU A 62 -0.638 44.979 7.685 1.00 0.00 H new ATOM 0 HA GLU A 62 0.254 47.364 9.007 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -2.004 46.715 7.042 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -1.673 48.344 7.598 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.647 48.208 6.697 1.00 0.00 H new ATOM 0 HG3 GLU A 62 0.377 46.549 6.201 1.00 0.00 H new ATOM 1005 N LYS A 63 -2.273 45.844 10.245 1.00 0.00 N ATOM 1006 CA LYS A 63 -3.315 45.888 11.269 1.00 0.00 C ATOM 1007 C LYS A 63 -2.734 45.875 12.688 1.00 0.00 C ATOM 1008 O LYS A 63 -3.425 45.508 13.638 1.00 0.00 O ATOM 1009 CB LYS A 63 -4.256 44.695 11.088 1.00 0.00 C ATOM 1010 CG LYS A 63 -4.548 44.492 9.593 1.00 0.00 C ATOM 1011 CD LYS A 63 -5.202 45.747 9.003 1.00 0.00 C ATOM 1012 CE LYS A 63 -5.662 45.463 7.566 1.00 0.00 C ATOM 1013 NZ LYS A 63 -6.822 44.518 7.584 1.00 0.00 N1+ ATOM 0 H LYS A 63 -2.052 44.909 9.901 1.00 0.00 H new ATOM 0 HA LYS A 63 -3.860 46.824 11.147 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -3.804 43.796 11.506 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -5.186 44.866 11.631 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -3.622 44.272 9.061 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -5.205 43.633 9.457 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -6.053 46.048 9.615 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -4.494 46.576 9.012 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -5.946 46.393 7.075 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -4.842 45.036 6.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -7.339 44.586 6.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -6.476 43.546 7.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -7.458 44.764 8.369 1.00 0.00 H new ATOM 1027 N TRP A 64 -1.489 46.326 12.836 1.00 0.00 N ATOM 1028 CA TRP A 64 -0.868 46.407 14.159 1.00 0.00 C ATOM 1029 C TRP A 64 0.469 47.142 14.093 1.00 0.00 C ATOM 1030 O TRP A 64 0.844 47.842 15.032 1.00 0.00 O ATOM 1031 CB TRP A 64 -0.671 45.019 14.774 1.00 0.00 C ATOM 1032 CG TRP A 64 -0.965 43.960 13.764 1.00 0.00 C ATOM 1033 CD1 TRP A 64 -0.304 43.801 12.599 1.00 0.00 C ATOM 1034 CD2 TRP A 64 -1.972 42.908 13.808 1.00 0.00 C ATOM 1035 NE1 TRP A 64 -0.835 42.719 11.924 1.00 0.00 N ATOM 1036 CE2 TRP A 64 -1.869 42.136 12.624 1.00 0.00 C ATOM 1037 CE3 TRP A 64 -2.955 42.552 14.746 1.00 0.00 C ATOM 1038 CZ2 TRP A 64 -2.712 41.052 12.381 1.00 0.00 C ATOM 1039 CZ3 TRP A 64 -3.806 41.461 14.505 1.00 0.00 C ATOM 1040 CH2 TRP A 64 -3.685 40.715 13.324 1.00 0.00 C ATOM 0 H TRP A 64 -0.896 46.638 12.067 1.00 0.00 H new ATOM 0 HA TRP A 64 -1.548 46.970 14.798 1.00 0.00 H new ATOM 0 HB2 TRP A 64 0.353 44.915 15.133 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -1.326 44.900 15.637 1.00 0.00 H new ATOM 0 HD1 TRP A 64 0.509 44.420 12.250 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -0.502 42.391 11.017 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -3.057 43.121 15.658 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -2.613 40.478 11.471 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -4.558 41.195 15.233 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -4.345 39.879 13.144 1.00 0.00 H new ATOM 1051 N LYS A 65 1.190 46.978 12.986 1.00 0.00 N ATOM 1052 CA LYS A 65 2.486 47.638 12.839 1.00 0.00 C ATOM 1053 C LYS A 65 3.387 47.289 14.019 1.00 0.00 C ATOM 1054 O LYS A 65 4.487 47.820 14.162 1.00 0.00 O ATOM 1055 CB LYS A 65 2.293 49.155 12.743 1.00 0.00 C ATOM 1056 CG LYS A 65 1.644 49.485 11.394 1.00 0.00 C ATOM 1057 CD LYS A 65 1.554 51.001 11.201 1.00 0.00 C ATOM 1058 CE LYS A 65 0.795 51.300 9.905 1.00 0.00 C ATOM 1059 NZ LYS A 65 1.739 51.830 8.880 1.00 0.00 N1+ ATOM 0 H LYS A 65 0.907 46.405 12.191 1.00 0.00 H new ATOM 0 HA LYS A 65 2.962 47.288 11.923 1.00 0.00 H new ATOM 0 HB2 LYS A 65 1.665 49.508 13.561 1.00 0.00 H new ATOM 0 HB3 LYS A 65 3.252 49.664 12.835 1.00 0.00 H new ATOM 0 HG2 LYS A 65 2.226 49.043 10.585 1.00 0.00 H new ATOM 0 HG3 LYS A 65 0.647 49.046 11.346 1.00 0.00 H new ATOM 0 HD2 LYS A 65 1.044 51.458 12.049 1.00 0.00 H new ATOM 0 HD3 LYS A 65 2.553 51.434 11.159 1.00 0.00 H new ATOM 0 HE2 LYS A 65 0.314 50.394 9.536 1.00 0.00 H new ATOM 0 HE3 LYS A 65 0.004 52.026 10.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 1.220 52.032 8.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 2.178 52.705 9.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 2.478 51.124 8.691 1.00 0.00 H new ATOM 1073 N SER A 66 2.902 46.375 14.849 1.00 0.00 N ATOM 1074 CA SER A 66 3.643 45.912 16.016 1.00 0.00 C ATOM 1075 C SER A 66 4.478 44.689 15.646 1.00 0.00 C ATOM 1076 O SER A 66 4.411 44.213 14.518 1.00 0.00 O ATOM 1077 CB SER A 66 2.668 45.549 17.132 1.00 0.00 C ATOM 1078 OG SER A 66 2.124 44.270 16.862 1.00 0.00 O ATOM 0 H SER A 66 1.989 45.935 14.734 1.00 0.00 H new ATOM 0 HA SER A 66 4.305 46.707 16.359 1.00 0.00 H new ATOM 0 HB2 SER A 66 3.180 45.546 18.095 1.00 0.00 H new ATOM 0 HB3 SER A 66 1.873 46.292 17.196 1.00 0.00 H new ATOM 0 HG SER A 66 2.721 43.579 17.217 1.00 0.00 H new ATOM 1084 N LYS A 67 5.267 44.179 16.583 1.00 0.00 N ATOM 1085 CA LYS A 67 6.088 43.013 16.287 1.00 0.00 C ATOM 1086 C LYS A 67 5.620 41.766 17.041 1.00 0.00 C ATOM 1087 O LYS A 67 5.231 40.769 16.427 1.00 0.00 O ATOM 1088 CB LYS A 67 7.549 43.297 16.622 1.00 0.00 C ATOM 1089 CG LYS A 67 8.351 42.017 16.412 1.00 0.00 C ATOM 1090 CD LYS A 67 9.825 42.279 16.685 1.00 0.00 C ATOM 1091 CE LYS A 67 10.619 41.028 16.319 1.00 0.00 C ATOM 1092 NZ LYS A 67 12.065 41.360 16.249 1.00 0.00 N1+ ATOM 0 H LYS A 67 5.356 44.543 17.532 1.00 0.00 H new ATOM 0 HA LYS A 67 5.985 42.813 15.221 1.00 0.00 H new ATOM 0 HB2 LYS A 67 7.935 44.094 15.987 1.00 0.00 H new ATOM 0 HB3 LYS A 67 7.642 43.637 17.653 1.00 0.00 H new ATOM 0 HG2 LYS A 67 7.983 41.234 17.075 1.00 0.00 H new ATOM 0 HG3 LYS A 67 8.219 41.658 15.391 1.00 0.00 H new ATOM 0 HD2 LYS A 67 10.172 43.131 16.101 1.00 0.00 H new ATOM 0 HD3 LYS A 67 9.976 42.529 17.735 1.00 0.00 H new ATOM 0 HE2 LYS A 67 10.450 40.247 17.061 1.00 0.00 H new ATOM 0 HE3 LYS A 67 10.278 40.636 15.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 12.605 40.507 16.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 12.219 42.091 15.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 12.385 41.715 17.173 1.00 0.00 H new ATOM 1106 N GLU A 68 5.691 41.817 18.366 1.00 0.00 N ATOM 1107 CA GLU A 68 5.305 40.678 19.200 1.00 0.00 C ATOM 1108 C GLU A 68 3.833 40.296 18.995 1.00 0.00 C ATOM 1109 O GLU A 68 3.482 39.110 18.995 1.00 0.00 O ATOM 1110 CB GLU A 68 5.546 41.039 20.670 1.00 0.00 C ATOM 1111 CG GLU A 68 7.041 41.271 20.896 1.00 0.00 C ATOM 1112 CD GLU A 68 7.815 39.974 20.674 1.00 0.00 C ATOM 1113 OE1 GLU A 68 7.218 38.920 20.812 1.00 0.00 O1- ATOM 1114 OE2 GLU A 68 8.996 40.053 20.380 1.00 0.00 O ATOM 0 H GLU A 68 6.011 42.632 18.888 1.00 0.00 H new ATOM 0 HA GLU A 68 5.910 39.818 18.913 1.00 0.00 H new ATOM 0 HB2 GLU A 68 4.984 41.935 20.933 1.00 0.00 H new ATOM 0 HB3 GLU A 68 5.189 40.237 21.316 1.00 0.00 H new ATOM 0 HG2 GLU A 68 7.404 42.041 20.215 1.00 0.00 H new ATOM 0 HG3 GLU A 68 7.211 41.636 21.909 1.00 0.00 H new ATOM 1121 N ASP A 69 2.973 41.293 18.818 1.00 0.00 N ATOM 1122 CA ASP A 69 1.553 41.020 18.618 1.00 0.00 C ATOM 1123 C ASP A 69 1.325 40.224 17.338 1.00 0.00 C ATOM 1124 O ASP A 69 0.564 39.253 17.325 1.00 0.00 O ATOM 1125 CB ASP A 69 0.767 42.333 18.546 1.00 0.00 C ATOM 1126 CG ASP A 69 -0.697 42.091 18.897 1.00 0.00 C ATOM 1127 OD1 ASP A 69 -1.136 40.957 18.778 1.00 0.00 O ATOM 1128 OD2 ASP A 69 -1.357 43.044 19.278 1.00 0.00 O1- ATOM 0 H ASP A 69 3.227 42.281 18.809 1.00 0.00 H new ATOM 0 HA ASP A 69 1.203 40.430 19.465 1.00 0.00 H new ATOM 0 HB2 ASP A 69 1.198 43.061 19.233 1.00 0.00 H new ATOM 0 HB3 ASP A 69 0.843 42.756 17.544 1.00 0.00 H new ATOM 1133 N ILE A 70 1.986 40.639 16.259 1.00 0.00 N ATOM 1134 CA ILE A 70 1.840 39.952 14.978 1.00 0.00 C ATOM 1135 C ILE A 70 2.263 38.493 15.096 1.00 0.00 C ATOM 1136 O ILE A 70 1.570 37.598 14.611 1.00 0.00 O ATOM 1137 CB ILE A 70 2.693 40.634 13.901 1.00 0.00 C ATOM 1138 CG1 ILE A 70 2.249 42.081 13.722 1.00 0.00 C ATOM 1139 CG2 ILE A 70 2.519 39.900 12.568 1.00 0.00 C ATOM 1140 CD1 ILE A 70 3.228 42.787 12.780 1.00 0.00 C ATOM 0 H ILE A 70 2.620 41.438 16.245 1.00 0.00 H new ATOM 0 HA ILE A 70 0.789 40.000 14.694 1.00 0.00 H new ATOM 0 HB ILE A 70 3.738 40.606 14.211 1.00 0.00 H new ATOM 0 HG12 ILE A 70 1.239 42.118 13.313 1.00 0.00 H new ATOM 0 HG13 ILE A 70 2.221 42.589 14.686 1.00 0.00 H new ATOM 0 HG21 ILE A 70 3.126 40.385 11.803 1.00 0.00 H new ATOM 0 HG22 ILE A 70 2.837 38.863 12.679 1.00 0.00 H new ATOM 0 HG23 ILE A 70 1.471 39.928 12.271 1.00 0.00 H new ATOM 0 HD11 ILE A 70 2.919 43.824 12.645 1.00 0.00 H new ATOM 0 HD12 ILE A 70 4.230 42.759 13.209 1.00 0.00 H new ATOM 0 HD13 ILE A 70 3.233 42.281 11.815 1.00 0.00 H new ATOM 1152 N LEU A 71 3.405 38.255 15.740 1.00 0.00 N ATOM 1153 CA LEU A 71 3.903 36.896 15.906 1.00 0.00 C ATOM 1154 C LEU A 71 2.836 36.028 16.535 1.00 0.00 C ATOM 1155 O LEU A 71 2.645 34.875 16.152 1.00 0.00 O ATOM 1156 CB LEU A 71 5.127 36.896 16.818 1.00 0.00 C ATOM 1157 CG LEU A 71 6.263 37.693 16.182 1.00 0.00 C ATOM 1158 CD1 LEU A 71 7.468 37.692 17.126 1.00 0.00 C ATOM 1159 CD2 LEU A 71 6.656 37.046 14.854 1.00 0.00 C ATOM 0 H LEU A 71 3.995 38.979 16.150 1.00 0.00 H new ATOM 0 HA LEU A 71 4.171 36.504 14.925 1.00 0.00 H new ATOM 0 HB2 LEU A 71 4.868 37.327 17.785 1.00 0.00 H new ATOM 0 HB3 LEU A 71 5.451 35.872 17.002 1.00 0.00 H new ATOM 0 HG LEU A 71 5.938 38.718 16.004 1.00 0.00 H new ATOM 0 HD11 LEU A 71 8.283 38.260 16.677 1.00 0.00 H new ATOM 0 HD12 LEU A 71 7.187 38.149 18.075 1.00 0.00 H new ATOM 0 HD13 LEU A 71 7.793 36.666 17.300 1.00 0.00 H new ATOM 0 HD21 LEU A 71 7.467 37.614 14.399 1.00 0.00 H new ATOM 0 HD22 LEU A 71 6.985 36.022 15.031 1.00 0.00 H new ATOM 0 HD23 LEU A 71 5.796 37.040 14.184 1.00 0.00 H new ATOM 1171 N HIS A 72 2.145 36.598 17.505 1.00 0.00 N ATOM 1172 CA HIS A 72 1.088 35.884 18.196 1.00 0.00 C ATOM 1173 C HIS A 72 -0.019 35.493 17.226 1.00 0.00 C ATOM 1174 O HIS A 72 -0.499 34.358 17.234 1.00 0.00 O ATOM 1175 CB HIS A 72 0.495 36.773 19.283 1.00 0.00 C ATOM 1176 CG HIS A 72 -0.465 35.965 20.101 1.00 0.00 C ATOM 1177 ND1 HIS A 72 -1.817 35.908 19.811 1.00 0.00 N ATOM 1178 CD2 HIS A 72 -0.278 35.163 21.197 1.00 0.00 C ATOM 1179 CE1 HIS A 72 -2.390 35.095 20.717 1.00 0.00 C ATOM 1180 NE2 HIS A 72 -1.496 34.615 21.586 1.00 0.00 N ATOM 0 H HIS A 72 2.297 37.552 17.832 1.00 0.00 H new ATOM 0 HA HIS A 72 1.514 34.983 18.637 1.00 0.00 H new ATOM 0 HB2 HIS A 72 1.287 37.172 19.917 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -0.016 37.626 18.836 1.00 0.00 H new ATOM 0 HD2 HIS A 72 0.669 34.984 21.684 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -3.444 34.859 20.739 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -1.669 33.982 22.367 1.00 0.00 H new ATOM 1189 N LYS A 73 -0.427 36.450 16.405 1.00 0.00 N ATOM 1190 CA LYS A 73 -1.488 36.206 15.441 1.00 0.00 C ATOM 1191 C LYS A 73 -1.106 35.070 14.496 1.00 0.00 C ATOM 1192 O LYS A 73 -1.866 34.117 14.321 1.00 0.00 O ATOM 1193 CB LYS A 73 -1.765 37.483 14.648 1.00 0.00 C ATOM 1194 CG LYS A 73 -2.123 38.623 15.610 1.00 0.00 C ATOM 1195 CD LYS A 73 -3.163 38.142 16.626 1.00 0.00 C ATOM 1196 CE LYS A 73 -3.857 39.349 17.264 1.00 0.00 C ATOM 1197 NZ LYS A 73 -3.890 39.179 18.744 1.00 0.00 N1+ ATOM 0 H LYS A 73 -0.043 37.395 16.387 1.00 0.00 H new ATOM 0 HA LYS A 73 -2.390 35.913 15.978 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -0.889 37.754 14.059 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -2.582 37.316 13.946 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -1.228 38.967 16.128 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -2.514 39.473 15.051 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -3.898 37.505 16.134 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -2.682 37.538 17.395 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -3.327 40.266 17.004 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -4.871 39.446 16.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -4.757 39.610 19.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -3.876 38.166 18.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -3.060 39.642 19.165 1.00 0.00 H new ATOM 1211 N LEU A 74 0.068 35.179 13.882 1.00 0.00 N ATOM 1212 CA LEU A 74 0.515 34.148 12.951 1.00 0.00 C ATOM 1213 C LEU A 74 0.566 32.792 13.630 1.00 0.00 C ATOM 1214 O LEU A 74 0.211 31.784 13.029 1.00 0.00 O ATOM 1215 CB LEU A 74 1.896 34.485 12.388 1.00 0.00 C ATOM 1216 CG LEU A 74 1.754 35.547 11.301 1.00 0.00 C ATOM 1217 CD1 LEU A 74 1.637 36.914 11.960 1.00 0.00 C ATOM 1218 CD2 LEU A 74 2.982 35.520 10.392 1.00 0.00 C ATOM 0 H LEU A 74 0.717 35.956 14.008 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.204 34.110 12.133 1.00 0.00 H new ATOM 0 HB2 LEU A 74 2.547 34.848 13.184 1.00 0.00 H new ATOM 0 HB3 LEU A 74 2.362 33.589 11.978 1.00 0.00 H new ATOM 0 HG LEU A 74 0.864 35.347 10.704 1.00 0.00 H new ATOM 0 HD11 LEU A 74 1.535 37.681 11.192 1.00 0.00 H new ATOM 0 HD12 LEU A 74 0.761 36.931 12.609 1.00 0.00 H new ATOM 0 HD13 LEU A 74 2.531 37.110 12.552 1.00 0.00 H new ATOM 0 HD21 LEU A 74 2.878 36.279 9.617 1.00 0.00 H new ATOM 0 HD22 LEU A 74 3.876 35.724 10.982 1.00 0.00 H new ATOM 0 HD23 LEU A 74 3.070 34.538 9.928 1.00 0.00 H new ATOM 1230 N ASN A 75 1.002 32.764 14.880 1.00 0.00 N ATOM 1231 CA ASN A 75 1.080 31.509 15.610 1.00 0.00 C ATOM 1232 C ASN A 75 -0.293 30.822 15.631 1.00 0.00 C ATOM 1233 O ASN A 75 -0.407 29.628 15.338 1.00 0.00 O ATOM 1234 CB ASN A 75 1.561 31.783 17.035 1.00 0.00 C ATOM 1235 CG ASN A 75 3.000 32.303 17.012 1.00 0.00 C ATOM 1236 OD1 ASN A 75 3.580 32.557 18.066 1.00 0.00 O ATOM 1237 ND2 ASN A 75 3.611 32.481 15.872 1.00 0.00 N ATOM 0 H ASN A 75 1.304 33.585 15.405 1.00 0.00 H new ATOM 0 HA ASN A 75 1.787 30.844 15.114 1.00 0.00 H new ATOM 0 HB2 ASN A 75 0.909 32.514 17.513 1.00 0.00 H new ATOM 0 HB3 ASN A 75 1.505 30.870 17.628 1.00 0.00 H new ATOM 0 HD21 ASN A 75 4.569 32.831 15.856 1.00 0.00 H new ATOM 0 HD22 ASN A 75 3.130 32.270 14.997 1.00 0.00 H new ATOM 1244 N GLU A 76 -1.336 31.592 15.954 1.00 0.00 N ATOM 1245 CA GLU A 76 -2.696 31.048 15.988 1.00 0.00 C ATOM 1246 C GLU A 76 -3.121 30.589 14.603 1.00 0.00 C ATOM 1247 O GLU A 76 -3.763 29.551 14.447 1.00 0.00 O ATOM 1248 CB GLU A 76 -3.682 32.116 16.467 1.00 0.00 C ATOM 1249 CG GLU A 76 -5.077 31.494 16.607 1.00 0.00 C ATOM 1250 CD GLU A 76 -6.138 32.451 16.068 1.00 0.00 C ATOM 1251 OE1 GLU A 76 -5.833 33.179 15.138 1.00 0.00 O ATOM 1252 OE2 GLU A 76 -7.241 32.437 16.587 1.00 0.00 O1- ATOM 0 H GLU A 76 -1.267 32.581 16.193 1.00 0.00 H new ATOM 0 HA GLU A 76 -2.701 30.201 16.674 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -3.356 32.525 17.423 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -3.710 32.944 15.759 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -5.118 30.550 16.063 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -5.279 31.268 17.654 1.00 0.00 H new ATOM 1259 N GLN A 77 -2.752 31.374 13.600 1.00 0.00 N ATOM 1260 CA GLN A 77 -3.094 31.048 12.224 1.00 0.00 C ATOM 1261 C GLN A 77 -2.230 29.898 11.721 1.00 0.00 C ATOM 1262 O GLN A 77 -2.691 29.048 10.957 1.00 0.00 O ATOM 1263 CB GLN A 77 -2.893 32.271 11.328 1.00 0.00 C ATOM 1264 CG GLN A 77 -4.253 32.793 10.865 1.00 0.00 C ATOM 1265 CD GLN A 77 -4.979 31.699 10.092 1.00 0.00 C ATOM 1266 OE1 GLN A 77 -4.481 31.226 9.071 1.00 0.00 O ATOM 1267 NE2 GLN A 77 -6.127 31.257 10.525 1.00 0.00 N ATOM 0 H GLN A 77 -2.219 32.236 13.713 1.00 0.00 H new ATOM 0 HA GLN A 77 -4.141 30.746 12.191 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -2.359 33.050 11.872 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -2.280 32.007 10.466 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -4.848 33.102 11.724 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -4.122 33.673 10.235 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -6.538 31.650 11.372 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -6.613 30.518 10.017 1.00 0.00 H new ATOM 1276 N TRP A 78 -0.973 29.882 12.152 1.00 0.00 N ATOM 1277 CA TRP A 78 -0.046 28.836 11.739 1.00 0.00 C ATOM 1278 C TRP A 78 -0.610 27.466 12.086 1.00 0.00 C ATOM 1279 O TRP A 78 -0.457 26.513 11.322 1.00 0.00 O ATOM 1280 CB TRP A 78 1.305 29.015 12.440 1.00 0.00 C ATOM 1281 CG TRP A 78 2.389 28.383 11.620 1.00 0.00 C ATOM 1282 CD1 TRP A 78 2.590 27.047 11.498 1.00 0.00 C ATOM 1283 CD2 TRP A 78 3.425 29.027 10.812 1.00 0.00 C ATOM 1284 NE1 TRP A 78 3.680 26.834 10.670 1.00 0.00 N ATOM 1285 CE2 TRP A 78 4.225 28.018 10.228 1.00 0.00 C ATOM 1286 CE3 TRP A 78 3.749 30.371 10.533 1.00 0.00 C ATOM 1287 CZ2 TRP A 78 5.303 28.324 9.397 1.00 0.00 C ATOM 1288 CZ3 TRP A 78 4.839 30.679 9.696 1.00 0.00 C ATOM 1289 CH2 TRP A 78 5.613 29.655 9.132 1.00 0.00 C ATOM 0 H TRP A 78 -0.575 30.577 12.783 1.00 0.00 H new ATOM 0 HA TRP A 78 0.093 28.909 10.660 1.00 0.00 H new ATOM 0 HB2 TRP A 78 1.514 30.075 12.581 1.00 0.00 H new ATOM 0 HB3 TRP A 78 1.274 28.561 13.431 1.00 0.00 H new ATOM 0 HD1 TRP A 78 1.998 26.276 11.969 1.00 0.00 H new ATOM 0 HE1 TRP A 78 4.036 25.912 10.418 1.00 0.00 H new ATOM 0 HE3 TRP A 78 3.159 31.167 10.963 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 5.894 27.532 8.961 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 5.080 31.711 9.487 1.00 0.00 H new ATOM 0 HH2 TRP A 78 6.449 29.899 8.493 1.00 0.00 H new ATOM 1300 N ASN A 79 -1.255 27.370 13.246 1.00 0.00 N ATOM 1301 CA ASN A 79 -1.824 26.097 13.669 1.00 0.00 C ATOM 1302 C ASN A 79 -2.864 25.600 12.663 1.00 0.00 C ATOM 1303 O ASN A 79 -2.915 24.407 12.356 1.00 0.00 O ATOM 1304 CB ASN A 79 -2.463 26.231 15.052 1.00 0.00 C ATOM 1305 CG ASN A 79 -1.387 26.459 16.110 1.00 0.00 C ATOM 1306 OD1 ASN A 79 -1.458 25.889 17.198 1.00 0.00 O ATOM 1307 ND2 ASN A 79 -0.389 27.264 15.858 1.00 0.00 N ATOM 0 H ASN A 79 -1.394 28.143 13.897 1.00 0.00 H new ATOM 0 HA ASN A 79 -1.015 25.369 13.719 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -3.169 27.062 15.056 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -3.030 25.330 15.288 1.00 0.00 H new ATOM 0 HD21 ASN A 79 0.331 27.420 16.563 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -0.330 27.737 14.956 1.00 0.00 H new ATOM 1314 N LYS A 80 -3.683 26.513 12.143 1.00 0.00 N ATOM 1315 CA LYS A 80 -4.704 26.136 11.166 1.00 0.00 C ATOM 1316 C LYS A 80 -4.188 26.330 9.740 1.00 0.00 C ATOM 1317 O LYS A 80 -4.849 25.948 8.776 1.00 0.00 O ATOM 1318 CB LYS A 80 -5.965 26.978 11.364 1.00 0.00 C ATOM 1319 CG LYS A 80 -6.484 26.818 12.795 1.00 0.00 C ATOM 1320 CD LYS A 80 -7.863 27.469 12.904 1.00 0.00 C ATOM 1321 CE LYS A 80 -7.725 28.979 12.695 1.00 0.00 C ATOM 1322 NZ LYS A 80 -8.616 29.700 13.649 1.00 0.00 N1+ ATOM 0 H LYS A 80 -3.661 27.505 12.377 1.00 0.00 H new ATOM 0 HA LYS A 80 -4.941 25.083 11.318 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -5.747 28.027 11.163 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -6.733 26.670 10.654 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -6.545 25.762 13.057 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -5.793 27.281 13.499 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -8.537 27.047 12.159 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -8.299 27.264 13.882 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -6.690 29.284 12.847 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -7.987 29.240 11.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -8.521 30.726 13.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -9.603 29.417 13.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -8.346 29.461 14.624 1.00 0.00 H new ATOM 1336 N ASP A 81 -3.007 26.925 9.619 1.00 0.00 N ATOM 1337 CA ASP A 81 -2.408 27.165 8.308 1.00 0.00 C ATOM 1338 C ASP A 81 -3.432 27.751 7.340 1.00 0.00 C ATOM 1339 O ASP A 81 -3.659 28.949 7.402 1.00 0.00 O ATOM 1340 CB ASP A 81 -1.850 25.853 7.746 1.00 0.00 C ATOM 1341 CG ASP A 81 -1.224 26.085 6.374 1.00 0.00 C ATOM 1342 OD1 ASP A 81 -0.085 26.521 6.330 1.00 0.00 O1- ATOM 1343 OD2 ASP A 81 -1.892 25.820 5.387 1.00 0.00 O ATOM 1344 OXT ASP A 81 -3.970 26.997 6.548 1.00 0.00 O ATOM 0 H ASP A 81 -2.446 27.249 10.407 1.00 0.00 H new ATOM 0 HA ASP A 81 -1.598 27.884 8.425 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -1.104 25.446 8.429 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -2.648 25.115 7.668 1.00 0.00 H new TER 1349 ASP A 81