USER MOD reduce.3.24.130724 H: found=0, std=0, add=666, rem=0, adj=19 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 18 LYS NZ :NH3+ 165:sc= 0.188 (180deg=0.0408) USER MOD Set 1.2: A 51 HIS : no HD1:sc= -10.2! C(o=-10!,f=-11!) USER MOD Set 2.1: A 30 GLN : amide:sc= -4.85! C(o=-5.6!,f=-7.4!) USER MOD Set 2.2: A 79 ASN :FLIP amide:sc= -0.763 F(o=-10!,f=-5.6) USER MOD Single : A 1 GLY N :NH3+ -119:sc= -0.626 (180deg=-2.5!) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 MET CE :methyl 157:sc= -0.292 (180deg=-1.8!) USER MOD Single : A 7 ASN : amide:sc= -0.0635 K(o=-0.064,f=-1.1) USER MOD Single : A 8 LYS NZ :NH3+ -124:sc= -1.55 (180deg=-2.35!) USER MOD Single : A 10 THR OG1 : rot 180:sc= -1.49 USER MOD Single : A 15 ASN : amide:sc= -0.232 K(o=-0.23,f=-2.2!) USER MOD Single : A 16 GLN : amide:sc= -0.216 X(o=-0.22,f=-0.034) USER MOD Single : A 19 GLN : amide:sc= -8.02! C(o=-8!,f=-8.8!) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -16.8! C(o=-17!,f=-24!) 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 77:sc= -0.701 USER MOD Single : A 39 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 SER OG : rot -28:sc= -0.977! USER MOD Single : A 44 MET CE :methyl -164:sc= -1.17 (180deg=-1.77) USER MOD Single : A 45 ASN :FLIP amide:sc= -8.69! C(o=-11!,f=-8.7!) USER MOD Single : A 46 GLN : amide:sc= -7.39! C(o=-7.4!,f=-12!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 HIS : no HD1:sc= 0 X(o=0,f=-0.01) USER MOD Single : A 60 MET CE :methyl -124:sc= -3.6 (180deg=-10.4!) USER MOD Single : A 61 CYS SG : rot -77:sc= -1.41! USER MOD Single : A 63 LYS NZ :NH3+ 167:sc= -0.0636 (180deg=-0.279) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot -135:sc= -1.27 USER MOD Single : A 67 LYS NZ :NH3+ -159:sc= -4.13! (180deg=-6.17!) USER MOD Single : A 72 HIS : no HD1:sc=-0.00526 X(o=-0.0053,f=0) USER MOD Single : A 73 LYS NZ :NH3+ 154:sc= -3.81! (180deg=-4.91!) USER MOD Single : A 75 ASN : amide:sc= -2.24 X(o=-2.2,f=-2.6) USER MOD Single : A 77 GLN : amide:sc= -0.273 X(o=-0.27,f=-0.29) USER MOD Single : A 80 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0111) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 13.190 63.754 -0.819 1.00 0.00 N ATOM 2 CA GLY A 1 12.006 62.877 -1.045 1.00 0.00 C ATOM 3 C GLY A 1 11.779 62.005 0.186 1.00 0.00 C ATOM 4 O GLY A 1 11.865 60.779 0.111 1.00 0.00 O ATOM 0 H1 GLY A 1 12.897 64.751 -0.865 1.00 0.00 H new ATOM 0 H2 GLY A 1 13.596 63.555 0.118 1.00 0.00 H new ATOM 0 H3 GLY A 1 13.904 63.569 -1.552 1.00 0.00 H new ATOM 0 HA2 GLY A 1 11.122 63.484 -1.242 1.00 0.00 H new ATOM 0 HA3 GLY A 1 12.165 62.251 -1.923 1.00 0.00 H new ATOM 10 N PRO A 2 11.492 62.610 1.307 1.00 0.00 N ATOM 11 CA PRO A 2 11.249 61.868 2.578 1.00 0.00 C ATOM 12 C PRO A 2 10.181 60.792 2.412 1.00 0.00 C ATOM 13 O PRO A 2 9.253 60.939 1.616 1.00 0.00 O ATOM 14 CB PRO A 2 10.800 62.946 3.574 1.00 0.00 C ATOM 15 CG PRO A 2 10.544 64.182 2.771 1.00 0.00 C ATOM 16 CD PRO A 2 11.370 64.059 1.494 1.00 0.00 C ATOM 0 HA PRO A 2 12.140 61.337 2.913 1.00 0.00 H new ATOM 0 HB2 PRO A 2 9.900 62.634 4.105 1.00 0.00 H new ATOM 0 HB3 PRO A 2 11.568 63.124 4.326 1.00 0.00 H new ATOM 0 HG2 PRO A 2 9.484 64.278 2.537 1.00 0.00 H new ATOM 0 HG3 PRO A 2 10.829 65.073 3.331 1.00 0.00 H new ATOM 0 HD2 PRO A 2 10.874 64.533 0.647 1.00 0.00 H new ATOM 0 HD3 PRO A 2 12.345 64.534 1.599 1.00 0.00 H new ATOM 24 N LEU A 3 10.334 59.702 3.155 1.00 0.00 N ATOM 25 CA LEU A 3 9.397 58.589 3.075 1.00 0.00 C ATOM 26 C LEU A 3 8.284 58.720 4.108 1.00 0.00 C ATOM 27 O LEU A 3 7.131 58.987 3.765 1.00 0.00 O ATOM 28 CB LEU A 3 10.147 57.269 3.291 1.00 0.00 C ATOM 29 CG LEU A 3 10.735 56.767 1.964 1.00 0.00 C ATOM 30 CD1 LEU A 3 9.640 56.090 1.136 1.00 0.00 C ATOM 31 CD2 LEU A 3 11.320 57.941 1.172 1.00 0.00 C ATOM 0 H LEU A 3 11.097 59.566 3.818 1.00 0.00 H new ATOM 0 HA LEU A 3 8.941 58.601 2.085 1.00 0.00 H new ATOM 0 HB2 LEU A 3 10.945 57.411 4.020 1.00 0.00 H new ATOM 0 HB3 LEU A 3 9.469 56.521 3.703 1.00 0.00 H new ATOM 0 HG LEU A 3 11.526 56.048 2.178 1.00 0.00 H new ATOM 0 HD11 LEU A 3 10.062 55.735 0.195 1.00 0.00 H new ATOM 0 HD12 LEU A 3 9.233 55.246 1.692 1.00 0.00 H new ATOM 0 HD13 LEU A 3 8.845 56.806 0.930 1.00 0.00 H new ATOM 0 HD21 LEU A 3 11.735 57.575 0.233 1.00 0.00 H new ATOM 0 HD22 LEU A 3 10.534 58.667 0.964 1.00 0.00 H new ATOM 0 HD23 LEU A 3 12.108 58.417 1.756 1.00 0.00 H new ATOM 43 N GLY A 4 8.625 58.506 5.373 1.00 0.00 N ATOM 44 CA GLY A 4 7.633 58.581 6.436 1.00 0.00 C ATOM 45 C GLY A 4 6.858 57.272 6.511 1.00 0.00 C ATOM 46 O GLY A 4 6.331 56.801 5.503 1.00 0.00 O ATOM 0 H GLY A 4 9.570 58.282 5.685 1.00 0.00 H new ATOM 0 HA2 GLY A 4 8.122 58.780 7.389 1.00 0.00 H new ATOM 0 HA3 GLY A 4 6.949 59.409 6.250 1.00 0.00 H new ATOM 50 N SER A 5 6.794 56.677 7.696 1.00 0.00 N ATOM 51 CA SER A 5 6.079 55.417 7.850 1.00 0.00 C ATOM 52 C SER A 5 4.637 55.569 7.376 1.00 0.00 C ATOM 53 O SER A 5 3.853 56.303 7.977 1.00 0.00 O ATOM 54 CB SER A 5 6.102 54.971 9.313 1.00 0.00 C ATOM 55 OG SER A 5 7.452 54.804 9.730 1.00 0.00 O ATOM 0 H SER A 5 7.220 57.038 8.549 1.00 0.00 H new ATOM 0 HA SER A 5 6.574 54.659 7.242 1.00 0.00 H new ATOM 0 HB2 SER A 5 5.604 55.711 9.939 1.00 0.00 H new ATOM 0 HB3 SER A 5 5.555 54.036 9.429 1.00 0.00 H new ATOM 0 HG SER A 5 7.472 54.520 10.668 1.00 0.00 H new ATOM 61 N MET A 6 4.296 54.875 6.293 1.00 0.00 N ATOM 62 CA MET A 6 2.947 54.947 5.743 1.00 0.00 C ATOM 63 C MET A 6 2.817 54.066 4.503 1.00 0.00 C ATOM 64 O MET A 6 1.762 53.484 4.251 1.00 0.00 O ATOM 65 CB MET A 6 2.609 56.396 5.382 1.00 0.00 C ATOM 66 CG MET A 6 1.315 56.436 4.569 1.00 0.00 C ATOM 67 SD MET A 6 0.705 58.137 4.496 1.00 0.00 S ATOM 68 CE MET A 6 2.262 58.920 4.009 1.00 0.00 C ATOM 0 H MET A 6 4.931 54.261 5.783 1.00 0.00 H new ATOM 0 HA MET A 6 2.250 54.586 6.499 1.00 0.00 H new ATOM 0 HB2 MET A 6 2.499 56.991 6.289 1.00 0.00 H new ATOM 0 HB3 MET A 6 3.424 56.838 4.809 1.00 0.00 H new ATOM 0 HG2 MET A 6 1.493 56.058 3.562 1.00 0.00 H new ATOM 0 HG3 MET A 6 0.566 55.788 5.025 1.00 0.00 H new ATOM 0 HE1 MET A 6 2.053 59.871 3.519 1.00 0.00 H new ATOM 0 HE2 MET A 6 2.874 59.095 4.894 1.00 0.00 H new ATOM 0 HE3 MET A 6 2.798 58.267 3.320 1.00 0.00 H new ATOM 78 N ASN A 7 3.893 53.977 3.731 1.00 0.00 N ATOM 79 CA ASN A 7 3.888 53.166 2.515 1.00 0.00 C ATOM 80 C ASN A 7 4.190 51.705 2.832 1.00 0.00 C ATOM 81 O ASN A 7 4.839 51.395 3.833 1.00 0.00 O ATOM 82 CB ASN A 7 4.918 53.709 1.523 1.00 0.00 C ATOM 83 CG ASN A 7 4.422 55.023 0.930 1.00 0.00 C ATOM 84 OD1 ASN A 7 3.235 55.160 0.639 1.00 0.00 O ATOM 85 ND2 ASN A 7 5.262 56.002 0.735 1.00 0.00 N ATOM 0 H ASN A 7 4.775 54.452 3.921 1.00 0.00 H new ATOM 0 HA ASN A 7 2.894 53.221 2.071 1.00 0.00 H new ATOM 0 HB2 ASN A 7 5.873 53.864 2.025 1.00 0.00 H new ATOM 0 HB3 ASN A 7 5.089 52.983 0.729 1.00 0.00 H new ATOM 0 HD21 ASN A 7 4.935 56.884 0.340 1.00 0.00 H new ATOM 0 HD22 ASN A 7 6.246 55.886 0.977 1.00 0.00 H new ATOM 92 N LYS A 8 3.714 50.810 1.972 1.00 0.00 N ATOM 93 CA LYS A 8 3.934 49.381 2.168 1.00 0.00 C ATOM 94 C LYS A 8 5.406 49.082 2.416 1.00 0.00 C ATOM 95 O LYS A 8 6.275 49.906 2.140 1.00 0.00 O ATOM 96 CB LYS A 8 3.464 48.600 0.940 1.00 0.00 C ATOM 97 CG LYS A 8 1.938 48.655 0.837 1.00 0.00 C ATOM 98 CD LYS A 8 1.328 47.900 2.020 1.00 0.00 C ATOM 99 CE LYS A 8 -0.053 47.368 1.632 1.00 0.00 C ATOM 100 NZ LYS A 8 0.089 46.393 0.514 1.00 0.00 N1+ ATOM 0 H LYS A 8 3.177 51.047 1.138 1.00 0.00 H new ATOM 0 HA LYS A 8 3.360 49.074 3.042 1.00 0.00 H new ATOM 0 HB2 LYS A 8 3.913 49.018 0.039 1.00 0.00 H new ATOM 0 HB3 LYS A 8 3.795 47.564 1.009 1.00 0.00 H new ATOM 0 HG2 LYS A 8 1.598 49.691 0.837 1.00 0.00 H new ATOM 0 HG3 LYS A 8 1.608 48.211 -0.102 1.00 0.00 H new ATOM 0 HD2 LYS A 8 1.978 47.075 2.312 1.00 0.00 H new ATOM 0 HD3 LYS A 8 1.245 48.561 2.883 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -0.524 46.888 2.490 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -0.701 48.191 1.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -0.503 46.694 -0.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 1.084 46.352 0.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -0.215 45.451 0.834 1.00 0.00 H new ATOM 114 N PHE A 9 5.674 47.891 2.938 1.00 0.00 N ATOM 115 CA PHE A 9 7.040 47.484 3.220 1.00 0.00 C ATOM 116 C PHE A 9 7.747 47.074 1.931 1.00 0.00 C ATOM 117 O PHE A 9 7.135 46.500 1.031 1.00 0.00 O ATOM 118 CB PHE A 9 7.029 46.323 4.213 1.00 0.00 C ATOM 119 CG PHE A 9 6.581 46.832 5.565 1.00 0.00 C ATOM 120 CD1 PHE A 9 7.522 47.378 6.445 1.00 0.00 C ATOM 121 CD2 PHE A 9 5.230 46.765 5.937 1.00 0.00 C ATOM 122 CE1 PHE A 9 7.116 47.859 7.696 1.00 0.00 C ATOM 123 CE2 PHE A 9 4.825 47.249 7.189 1.00 0.00 C ATOM 124 CZ PHE A 9 5.768 47.794 8.067 1.00 0.00 C ATOM 0 H PHE A 9 4.966 47.195 3.173 1.00 0.00 H new ATOM 0 HA PHE A 9 7.583 48.323 3.656 1.00 0.00 H new ATOM 0 HB2 PHE A 9 6.358 45.538 3.866 1.00 0.00 H new ATOM 0 HB3 PHE A 9 8.023 45.883 4.288 1.00 0.00 H new ATOM 0 HD1 PHE A 9 8.562 47.429 6.159 1.00 0.00 H new ATOM 0 HD2 PHE A 9 4.503 46.341 5.260 1.00 0.00 H new ATOM 0 HE1 PHE A 9 7.843 48.280 8.375 1.00 0.00 H new ATOM 0 HE2 PHE A 9 3.785 47.201 7.476 1.00 0.00 H new ATOM 0 HZ PHE A 9 5.456 48.165 9.032 1.00 0.00 H new ATOM 134 N THR A 10 9.037 47.381 1.846 1.00 0.00 N ATOM 135 CA THR A 10 9.819 47.052 0.658 1.00 0.00 C ATOM 136 C THR A 10 10.357 45.632 0.731 1.00 0.00 C ATOM 137 O THR A 10 10.391 45.025 1.797 1.00 0.00 O ATOM 138 CB THR A 10 10.984 48.031 0.520 1.00 0.00 C ATOM 139 OG1 THR A 10 11.672 48.114 1.758 1.00 0.00 O ATOM 140 CG2 THR A 10 10.457 49.413 0.126 1.00 0.00 C ATOM 0 H THR A 10 9.562 47.855 2.581 1.00 0.00 H new ATOM 0 HA THR A 10 9.165 47.129 -0.211 1.00 0.00 H new ATOM 0 HB THR A 10 11.666 47.679 -0.254 1.00 0.00 H new ATOM 0 HG1 THR A 10 12.422 48.740 1.674 1.00 0.00 H new ATOM 0 HG21 THR A 10 11.292 50.107 0.029 1.00 0.00 H new ATOM 0 HG22 THR A 10 9.930 49.344 -0.826 1.00 0.00 H new ATOM 0 HG23 THR A 10 9.773 49.774 0.894 1.00 0.00 H new ATOM 148 N ASP A 11 10.775 45.106 -0.414 1.00 0.00 N ATOM 149 CA ASP A 11 11.303 43.749 -0.469 1.00 0.00 C ATOM 150 C ASP A 11 12.443 43.560 0.529 1.00 0.00 C ATOM 151 O ASP A 11 12.501 42.543 1.220 1.00 0.00 O ATOM 152 CB ASP A 11 11.803 43.440 -1.881 1.00 0.00 C ATOM 153 CG ASP A 11 10.627 43.404 -2.849 1.00 0.00 C ATOM 154 OD1 ASP A 11 9.506 43.568 -2.396 1.00 0.00 O1- ATOM 155 OD2 ASP A 11 10.864 43.221 -4.033 1.00 0.00 O ATOM 0 H ASP A 11 10.759 45.594 -1.310 1.00 0.00 H new ATOM 0 HA ASP A 11 10.497 43.063 -0.206 1.00 0.00 H new ATOM 0 HB2 ASP A 11 12.522 44.197 -2.196 1.00 0.00 H new ATOM 0 HB3 ASP A 11 12.323 42.482 -1.891 1.00 0.00 H new ATOM 160 N ASP A 12 13.342 44.539 0.614 1.00 0.00 N ATOM 161 CA ASP A 12 14.459 44.443 1.545 1.00 0.00 C ATOM 162 C ASP A 12 13.946 44.448 2.978 1.00 0.00 C ATOM 163 O ASP A 12 14.367 43.637 3.805 1.00 0.00 O ATOM 164 CB ASP A 12 15.425 45.610 1.338 1.00 0.00 C ATOM 165 CG ASP A 12 16.091 45.505 -0.031 1.00 0.00 C ATOM 166 OD1 ASP A 12 15.953 44.468 -0.659 1.00 0.00 O ATOM 167 OD2 ASP A 12 16.728 46.466 -0.431 1.00 0.00 O1- ATOM 0 H ASP A 12 13.319 45.394 0.058 1.00 0.00 H new ATOM 0 HA ASP A 12 14.988 43.509 1.357 1.00 0.00 H new ATOM 0 HB2 ASP A 12 14.888 46.555 1.418 1.00 0.00 H new ATOM 0 HB3 ASP A 12 16.183 45.607 2.121 1.00 0.00 H new ATOM 172 N GLU A 13 13.016 45.352 3.257 1.00 0.00 N ATOM 173 CA GLU A 13 12.428 45.444 4.585 1.00 0.00 C ATOM 174 C GLU A 13 11.637 44.183 4.878 1.00 0.00 C ATOM 175 O GLU A 13 11.669 43.645 5.984 1.00 0.00 O ATOM 176 CB GLU A 13 11.488 46.646 4.652 1.00 0.00 C ATOM 177 CG GLU A 13 12.293 47.942 4.554 1.00 0.00 C ATOM 178 CD GLU A 13 13.276 48.035 5.718 1.00 0.00 C ATOM 179 OE1 GLU A 13 13.102 47.300 6.676 1.00 0.00 O1- ATOM 180 OE2 GLU A 13 14.187 48.842 5.633 1.00 0.00 O ATOM 0 H GLU A 13 12.655 46.028 2.585 1.00 0.00 H new ATOM 0 HA GLU A 13 13.225 45.561 5.320 1.00 0.00 H new ATOM 0 HB2 GLU A 13 10.762 46.596 3.841 1.00 0.00 H new ATOM 0 HB3 GLU A 13 10.925 46.627 5.585 1.00 0.00 H new ATOM 0 HG2 GLU A 13 12.833 47.974 3.608 1.00 0.00 H new ATOM 0 HG3 GLU A 13 11.620 48.800 4.566 1.00 0.00 H new ATOM 187 N TRP A 14 10.920 43.726 3.867 1.00 0.00 N ATOM 188 CA TRP A 14 10.111 42.538 3.991 1.00 0.00 C ATOM 189 C TRP A 14 10.995 41.335 4.302 1.00 0.00 C ATOM 190 O TRP A 14 10.692 40.551 5.197 1.00 0.00 O ATOM 191 CB TRP A 14 9.347 42.339 2.684 1.00 0.00 C ATOM 192 CG TRP A 14 8.067 41.616 2.936 1.00 0.00 C ATOM 193 CD1 TRP A 14 7.661 40.522 2.258 1.00 0.00 C ATOM 194 CD2 TRP A 14 7.010 41.914 3.903 1.00 0.00 C ATOM 195 NE1 TRP A 14 6.434 40.114 2.753 1.00 0.00 N ATOM 196 CE2 TRP A 14 5.991 40.942 3.766 1.00 0.00 C ATOM 197 CE3 TRP A 14 6.835 42.919 4.880 1.00 0.00 C ATOM 198 CZ2 TRP A 14 4.845 40.961 4.566 1.00 0.00 C ATOM 199 CZ3 TRP A 14 5.684 42.939 5.683 1.00 0.00 C ATOM 200 CH2 TRP A 14 4.692 41.963 5.527 1.00 0.00 C ATOM 0 H TRP A 14 10.885 44.166 2.948 1.00 0.00 H new ATOM 0 HA TRP A 14 9.400 42.644 4.810 1.00 0.00 H new ATOM 0 HB2 TRP A 14 9.142 43.306 2.224 1.00 0.00 H new ATOM 0 HB3 TRP A 14 9.959 41.775 1.980 1.00 0.00 H new ATOM 0 HD1 TRP A 14 8.205 40.042 1.458 1.00 0.00 H new ATOM 0 HE1 TRP A 14 5.920 39.302 2.412 1.00 0.00 H new ATOM 0 HE3 TRP A 14 7.593 43.678 5.010 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 4.083 40.206 4.442 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 5.563 43.713 6.427 1.00 0.00 H new ATOM 0 HH2 TRP A 14 3.809 41.985 6.149 1.00 0.00 H new ATOM 211 N ASN A 15 12.099 41.199 3.571 1.00 0.00 N ATOM 212 CA ASN A 15 13.017 40.090 3.801 1.00 0.00 C ATOM 213 C ASN A 15 13.480 40.063 5.252 1.00 0.00 C ATOM 214 O ASN A 15 13.603 38.996 5.857 1.00 0.00 O ATOM 215 CB ASN A 15 14.231 40.220 2.885 1.00 0.00 C ATOM 216 CG ASN A 15 13.839 39.898 1.448 1.00 0.00 C ATOM 217 OD1 ASN A 15 12.772 39.332 1.206 1.00 0.00 O ATOM 218 ND2 ASN A 15 14.644 40.220 0.472 1.00 0.00 N ATOM 0 H ASN A 15 12.376 41.835 2.823 1.00 0.00 H new ATOM 0 HA ASN A 15 12.490 39.161 3.583 1.00 0.00 H new ATOM 0 HB2 ASN A 15 14.633 41.231 2.943 1.00 0.00 H new ATOM 0 HB3 ASN A 15 15.020 39.544 3.215 1.00 0.00 H new ATOM 0 HD21 ASN A 15 14.390 40.003 -0.492 1.00 0.00 H new ATOM 0 HD22 ASN A 15 15.527 40.689 0.673 1.00 0.00 H new ATOM 225 N GLN A 16 13.718 41.244 5.810 1.00 0.00 N ATOM 226 CA GLN A 16 14.149 41.339 7.199 1.00 0.00 C ATOM 227 C GLN A 16 13.043 40.803 8.102 1.00 0.00 C ATOM 228 O GLN A 16 13.297 40.062 9.051 1.00 0.00 O ATOM 229 CB GLN A 16 14.448 42.797 7.549 1.00 0.00 C ATOM 230 CG GLN A 16 15.668 43.262 6.751 1.00 0.00 C ATOM 231 CD GLN A 16 15.737 44.786 6.739 1.00 0.00 C ATOM 232 OE1 GLN A 16 15.811 45.418 7.794 1.00 0.00 O ATOM 233 NE2 GLN A 16 15.714 45.414 5.595 1.00 0.00 N ATOM 0 H GLN A 16 13.621 42.138 5.329 1.00 0.00 H new ATOM 0 HA GLN A 16 15.055 40.750 7.344 1.00 0.00 H new ATOM 0 HB2 GLN A 16 13.586 43.424 7.318 1.00 0.00 H new ATOM 0 HB3 GLN A 16 14.637 42.896 8.618 1.00 0.00 H new ATOM 0 HG2 GLN A 16 16.577 42.853 7.191 1.00 0.00 H new ATOM 0 HG3 GLN A 16 15.610 42.885 5.730 1.00 0.00 H new ATOM 0 HE21 GLN A 16 15.653 44.886 4.724 1.00 0.00 H new ATOM 0 HE22 GLN A 16 15.757 46.433 5.572 1.00 0.00 H new ATOM 242 N LEU A 17 11.812 41.184 7.784 1.00 0.00 N ATOM 243 CA LEU A 17 10.658 40.741 8.555 1.00 0.00 C ATOM 244 C LEU A 17 10.538 39.223 8.513 1.00 0.00 C ATOM 245 O LEU A 17 10.189 38.590 9.510 1.00 0.00 O ATOM 246 CB LEU A 17 9.384 41.365 7.984 1.00 0.00 C ATOM 247 CG LEU A 17 8.171 40.880 8.780 1.00 0.00 C ATOM 248 CD1 LEU A 17 8.212 41.470 10.190 1.00 0.00 C ATOM 249 CD2 LEU A 17 6.891 41.335 8.073 1.00 0.00 C ATOM 0 H LEU A 17 11.588 41.797 7.000 1.00 0.00 H new ATOM 0 HA LEU A 17 10.791 41.057 9.590 1.00 0.00 H new ATOM 0 HB2 LEU A 17 9.449 42.452 8.028 1.00 0.00 H new ATOM 0 HB3 LEU A 17 9.274 41.094 6.934 1.00 0.00 H new ATOM 0 HG LEU A 17 8.188 39.792 8.845 1.00 0.00 H new ATOM 0 HD11 LEU A 17 7.347 41.123 10.755 1.00 0.00 H new ATOM 0 HD12 LEU A 17 9.125 41.150 10.692 1.00 0.00 H new ATOM 0 HD13 LEU A 17 8.193 42.558 10.130 1.00 0.00 H new ATOM 0 HD21 LEU A 17 6.023 40.992 8.636 1.00 0.00 H new ATOM 0 HD22 LEU A 17 6.877 42.423 8.011 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.861 40.914 7.068 1.00 0.00 H new ATOM 261 N LYS A 18 10.820 38.645 7.350 1.00 0.00 N ATOM 262 CA LYS A 18 10.731 37.200 7.186 1.00 0.00 C ATOM 263 C LYS A 18 11.664 36.475 8.147 1.00 0.00 C ATOM 264 O LYS A 18 11.269 35.496 8.779 1.00 0.00 O ATOM 265 CB LYS A 18 11.097 36.835 5.754 1.00 0.00 C ATOM 266 CG LYS A 18 10.057 37.428 4.818 1.00 0.00 C ATOM 267 CD LYS A 18 10.415 37.086 3.380 1.00 0.00 C ATOM 268 CE LYS A 18 9.522 37.881 2.444 1.00 0.00 C ATOM 269 NZ LYS A 18 8.407 37.015 1.964 1.00 0.00 N1+ ATOM 0 H LYS A 18 11.110 39.151 6.513 1.00 0.00 H new ATOM 0 HA LYS A 18 9.709 36.891 7.406 1.00 0.00 H new ATOM 0 HB2 LYS A 18 12.088 37.217 5.508 1.00 0.00 H new ATOM 0 HB3 LYS A 18 11.135 35.752 5.638 1.00 0.00 H new ATOM 0 HG2 LYS A 18 9.069 37.037 5.061 1.00 0.00 H new ATOM 0 HG3 LYS A 18 10.012 38.510 4.945 1.00 0.00 H new ATOM 0 HD2 LYS A 18 11.463 37.318 3.188 1.00 0.00 H new ATOM 0 HD3 LYS A 18 10.288 36.018 3.204 1.00 0.00 H new ATOM 0 HE2 LYS A 18 9.122 38.754 2.960 1.00 0.00 H new ATOM 0 HE3 LYS A 18 10.101 38.249 1.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 7.666 37.607 1.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 8.767 36.347 1.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 8.009 36.485 2.766 1.00 0.00 H new ATOM 283 N GLN A 19 12.901 36.949 8.254 1.00 0.00 N ATOM 284 CA GLN A 19 13.861 36.310 9.142 1.00 0.00 C ATOM 285 C GLN A 19 13.386 36.376 10.586 1.00 0.00 C ATOM 286 O GLN A 19 13.505 35.402 11.326 1.00 0.00 O ATOM 287 CB GLN A 19 15.236 36.976 9.013 1.00 0.00 C ATOM 288 CG GLN A 19 15.895 36.579 7.683 1.00 0.00 C ATOM 289 CD GLN A 19 14.854 36.033 6.709 1.00 0.00 C ATOM 290 OE1 GLN A 19 14.132 36.801 6.077 1.00 0.00 O ATOM 291 NE2 GLN A 19 14.735 34.742 6.551 1.00 0.00 N ATOM 0 H GLN A 19 13.257 37.759 7.746 1.00 0.00 H new ATOM 0 HA GLN A 19 13.947 35.263 8.851 1.00 0.00 H new ATOM 0 HB2 GLN A 19 15.130 38.060 9.065 1.00 0.00 H new ATOM 0 HB3 GLN A 19 15.872 36.677 9.846 1.00 0.00 H new ATOM 0 HG2 GLN A 19 16.392 37.444 7.245 1.00 0.00 H new ATOM 0 HG3 GLN A 19 16.663 35.827 7.862 1.00 0.00 H new ATOM 0 HE21 GLN A 19 15.335 34.106 7.076 1.00 0.00 H new ATOM 0 HE22 GLN A 19 14.042 34.369 5.902 1.00 0.00 H new ATOM 300 N ASP A 20 12.850 37.523 10.991 1.00 0.00 N ATOM 301 CA ASP A 20 12.372 37.672 12.357 1.00 0.00 C ATOM 302 C ASP A 20 11.249 36.685 12.643 1.00 0.00 C ATOM 303 O ASP A 20 11.253 36.012 13.671 1.00 0.00 O ATOM 304 CB ASP A 20 11.869 39.099 12.581 1.00 0.00 C ATOM 305 CG ASP A 20 13.035 40.079 12.524 1.00 0.00 C ATOM 306 OD1 ASP A 20 14.165 39.622 12.511 1.00 0.00 O1- ATOM 307 OD2 ASP A 20 12.781 41.271 12.492 1.00 0.00 O ATOM 0 H ASP A 20 12.738 38.349 10.403 1.00 0.00 H new ATOM 0 HA ASP A 20 13.200 37.468 13.035 1.00 0.00 H new ATOM 0 HB2 ASP A 20 11.130 39.356 11.822 1.00 0.00 H new ATOM 0 HB3 ASP A 20 11.371 39.170 13.548 1.00 0.00 H new ATOM 312 N PHE A 21 10.298 36.586 11.722 1.00 0.00 N ATOM 313 CA PHE A 21 9.194 35.656 11.899 1.00 0.00 C ATOM 314 C PHE A 21 9.743 34.235 11.962 1.00 0.00 C ATOM 315 O PHE A 21 9.403 33.460 12.857 1.00 0.00 O ATOM 316 CB PHE A 21 8.202 35.785 10.738 1.00 0.00 C ATOM 317 CG PHE A 21 7.313 36.996 10.938 1.00 0.00 C ATOM 318 CD1 PHE A 21 7.740 38.080 11.723 1.00 0.00 C ATOM 319 CD2 PHE A 21 6.053 37.037 10.326 1.00 0.00 C ATOM 320 CE1 PHE A 21 6.907 39.195 11.893 1.00 0.00 C ATOM 321 CE2 PHE A 21 5.224 38.150 10.497 1.00 0.00 C ATOM 322 CZ PHE A 21 5.649 39.229 11.280 1.00 0.00 C ATOM 0 H PHE A 21 10.269 37.129 10.859 1.00 0.00 H new ATOM 0 HA PHE A 21 8.671 35.887 12.827 1.00 0.00 H new ATOM 0 HB2 PHE A 21 8.744 35.874 9.796 1.00 0.00 H new ATOM 0 HB3 PHE A 21 7.592 34.884 10.670 1.00 0.00 H new ATOM 0 HD1 PHE A 21 8.711 38.054 12.196 1.00 0.00 H new ATOM 0 HD2 PHE A 21 5.721 36.207 9.720 1.00 0.00 H new ATOM 0 HE1 PHE A 21 7.236 40.028 12.497 1.00 0.00 H new ATOM 0 HE2 PHE A 21 4.254 38.177 10.024 1.00 0.00 H new ATOM 0 HZ PHE A 21 5.007 40.087 11.411 1.00 0.00 H new ATOM 332 N ILE A 22 10.625 33.914 11.019 1.00 0.00 N ATOM 333 CA ILE A 22 11.248 32.597 10.991 1.00 0.00 C ATOM 334 C ILE A 22 11.999 32.344 12.295 1.00 0.00 C ATOM 335 O ILE A 22 11.830 31.303 12.930 1.00 0.00 O ATOM 336 CB ILE A 22 12.212 32.498 9.805 1.00 0.00 C ATOM 337 CG1 ILE A 22 11.417 32.589 8.502 1.00 0.00 C ATOM 338 CG2 ILE A 22 12.949 31.159 9.857 1.00 0.00 C ATOM 339 CD1 ILE A 22 12.365 32.851 7.329 1.00 0.00 C ATOM 0 H ILE A 22 10.921 34.542 10.272 1.00 0.00 H new ATOM 0 HA ILE A 22 10.470 31.842 10.880 1.00 0.00 H new ATOM 0 HB ILE A 22 12.935 33.312 9.852 1.00 0.00 H new ATOM 0 HG12 ILE A 22 10.867 31.663 8.336 1.00 0.00 H new ATOM 0 HG13 ILE A 22 10.680 33.389 8.571 1.00 0.00 H new ATOM 0 HG21 ILE A 22 13.635 31.088 9.013 1.00 0.00 H new ATOM 0 HG22 ILE A 22 13.511 31.089 10.788 1.00 0.00 H new ATOM 0 HG23 ILE A 22 12.227 30.344 9.807 1.00 0.00 H new ATOM 0 HD11 ILE A 22 11.791 32.914 6.405 1.00 0.00 H new ATOM 0 HD12 ILE A 22 12.895 33.789 7.492 1.00 0.00 H new ATOM 0 HD13 ILE A 22 13.085 32.036 7.254 1.00 0.00 H new ATOM 351 N SER A 23 12.836 33.300 12.687 1.00 0.00 N ATOM 352 CA SER A 23 13.608 33.160 13.916 1.00 0.00 C ATOM 353 C SER A 23 12.689 32.927 15.110 1.00 0.00 C ATOM 354 O SER A 23 12.971 32.092 15.966 1.00 0.00 O ATOM 355 CB SER A 23 14.445 34.418 14.162 1.00 0.00 C ATOM 356 OG SER A 23 15.287 34.198 15.288 1.00 0.00 O ATOM 0 H SER A 23 12.996 34.170 12.178 1.00 0.00 H new ATOM 0 HA SER A 23 14.267 32.299 13.802 1.00 0.00 H new ATOM 0 HB2 SER A 23 15.045 34.650 13.282 1.00 0.00 H new ATOM 0 HB3 SER A 23 13.795 35.275 14.339 1.00 0.00 H new ATOM 0 HG SER A 23 15.829 34.998 15.453 1.00 0.00 H new ATOM 362 N GLY A 24 11.587 33.669 15.162 1.00 0.00 N ATOM 363 CA GLY A 24 10.640 33.528 16.262 1.00 0.00 C ATOM 364 C GLY A 24 10.093 32.111 16.324 1.00 0.00 C ATOM 365 O GLY A 24 9.832 31.579 17.402 1.00 0.00 O ATOM 0 H GLY A 24 11.330 34.366 14.464 1.00 0.00 H new ATOM 0 HA2 GLY A 24 11.130 33.775 17.204 1.00 0.00 H new ATOM 0 HA3 GLY A 24 9.820 34.234 16.135 1.00 0.00 H new ATOM 369 N ILE A 25 9.921 31.510 15.153 1.00 0.00 N ATOM 370 CA ILE A 25 9.395 30.155 15.058 1.00 0.00 C ATOM 371 C ILE A 25 10.438 29.120 15.471 1.00 0.00 C ATOM 372 O ILE A 25 10.091 28.061 15.994 1.00 0.00 O ATOM 373 CB ILE A 25 8.940 29.896 13.620 1.00 0.00 C ATOM 374 CG1 ILE A 25 7.761 30.817 13.292 1.00 0.00 C ATOM 375 CG2 ILE A 25 8.515 28.435 13.465 1.00 0.00 C ATOM 376 CD1 ILE A 25 7.391 30.675 11.817 1.00 0.00 C ATOM 0 H ILE A 25 10.139 31.941 14.255 1.00 0.00 H new ATOM 0 HA ILE A 25 8.550 30.061 15.741 1.00 0.00 H new ATOM 0 HB ILE A 25 9.763 30.099 12.935 1.00 0.00 H new ATOM 0 HG12 ILE A 25 6.905 30.564 13.917 1.00 0.00 H new ATOM 0 HG13 ILE A 25 8.023 31.852 13.513 1.00 0.00 H new ATOM 0 HG21 ILE A 25 8.192 28.257 12.439 1.00 0.00 H new ATOM 0 HG22 ILE A 25 9.358 27.784 13.698 1.00 0.00 H new ATOM 0 HG23 ILE A 25 7.692 28.221 14.147 1.00 0.00 H new ATOM 0 HD11 ILE A 25 6.552 31.332 11.588 1.00 0.00 H new ATOM 0 HD12 ILE A 25 8.246 30.950 11.199 1.00 0.00 H new ATOM 0 HD13 ILE A 25 7.111 29.642 11.610 1.00 0.00 H new ATOM 388 N LEU A 26 11.711 29.425 15.241 1.00 0.00 N ATOM 389 CA LEU A 26 12.780 28.498 15.604 1.00 0.00 C ATOM 390 C LEU A 26 13.228 28.721 17.048 1.00 0.00 C ATOM 391 O LEU A 26 13.734 27.808 17.699 1.00 0.00 O ATOM 392 CB LEU A 26 13.970 28.661 14.649 1.00 0.00 C ATOM 393 CG LEU A 26 15.024 29.589 15.261 1.00 0.00 C ATOM 394 CD1 LEU A 26 15.831 28.835 16.324 1.00 0.00 C ATOM 395 CD2 LEU A 26 15.965 30.071 14.156 1.00 0.00 C ATOM 0 H LEU A 26 12.026 30.294 14.811 1.00 0.00 H new ATOM 0 HA LEU A 26 12.394 27.482 15.519 1.00 0.00 H new ATOM 0 HB2 LEU A 26 14.412 27.687 14.439 1.00 0.00 H new ATOM 0 HB3 LEU A 26 13.627 29.067 13.697 1.00 0.00 H new ATOM 0 HG LEU A 26 14.530 30.441 15.728 1.00 0.00 H new ATOM 0 HD11 LEU A 26 16.578 29.502 16.754 1.00 0.00 H new ATOM 0 HD12 LEU A 26 15.161 28.486 17.110 1.00 0.00 H new ATOM 0 HD13 LEU A 26 16.328 27.981 15.865 1.00 0.00 H new ATOM 0 HD21 LEU A 26 16.719 30.732 14.583 1.00 0.00 H new ATOM 0 HD22 LEU A 26 16.454 29.213 13.695 1.00 0.00 H new ATOM 0 HD23 LEU A 26 15.393 30.611 13.401 1.00 0.00 H new ATOM 407 N GLU A 27 13.030 29.938 17.542 1.00 0.00 N ATOM 408 CA GLU A 27 13.410 30.266 18.914 1.00 0.00 C ATOM 409 C GLU A 27 12.329 29.821 19.900 1.00 0.00 C ATOM 410 O GLU A 27 12.603 29.612 21.084 1.00 0.00 O ATOM 411 CB GLU A 27 13.641 31.773 19.047 1.00 0.00 C ATOM 412 CG GLU A 27 12.316 32.472 19.348 1.00 0.00 C ATOM 413 CD GLU A 27 12.496 33.982 19.253 1.00 0.00 C ATOM 414 OE1 GLU A 27 13.612 34.411 19.010 1.00 0.00 O1- ATOM 415 OE2 GLU A 27 11.516 34.688 19.422 1.00 0.00 O ATOM 0 H GLU A 27 12.613 30.708 17.020 1.00 0.00 H new ATOM 0 HA GLU A 27 14.333 29.735 19.149 1.00 0.00 H new ATOM 0 HB2 GLU A 27 14.358 31.972 19.844 1.00 0.00 H new ATOM 0 HB3 GLU A 27 14.071 32.168 18.126 1.00 0.00 H new ATOM 0 HG2 GLU A 27 11.552 32.143 18.644 1.00 0.00 H new ATOM 0 HG3 GLU A 27 11.969 32.200 20.345 1.00 0.00 H new ATOM 422 N ASN A 28 11.099 29.695 19.409 1.00 0.00 N ATOM 423 CA ASN A 28 9.982 29.294 20.258 1.00 0.00 C ATOM 424 C ASN A 28 9.575 27.846 19.996 1.00 0.00 C ATOM 425 O ASN A 28 10.081 27.199 19.080 1.00 0.00 O ATOM 426 CB ASN A 28 8.793 30.219 20.014 1.00 0.00 C ATOM 427 CG ASN A 28 8.215 29.968 18.627 1.00 0.00 C ATOM 428 OD1 ASN A 28 8.876 29.372 17.778 1.00 0.00 O ATOM 429 ND2 ASN A 28 7.013 30.392 18.347 1.00 0.00 N ATOM 0 H ASN A 28 10.852 29.864 18.434 1.00 0.00 H new ATOM 0 HA ASN A 28 10.301 29.371 21.297 1.00 0.00 H new ATOM 0 HB2 ASN A 28 8.028 30.050 20.772 1.00 0.00 H new ATOM 0 HB3 ASN A 28 9.106 31.259 20.104 1.00 0.00 H new ATOM 0 HD21 ASN A 28 6.618 30.230 17.421 1.00 0.00 H new ATOM 0 HD22 ASN A 28 6.469 30.886 19.054 1.00 0.00 H new ATOM 436 N GLU A 29 8.650 27.346 20.813 1.00 0.00 N ATOM 437 CA GLU A 29 8.172 25.973 20.672 1.00 0.00 C ATOM 438 C GLU A 29 7.556 25.746 19.295 1.00 0.00 C ATOM 439 O GLU A 29 7.534 24.622 18.795 1.00 0.00 O ATOM 440 CB GLU A 29 7.130 25.665 21.747 1.00 0.00 C ATOM 441 CG GLU A 29 6.848 24.161 21.754 1.00 0.00 C ATOM 442 CD GLU A 29 8.102 23.401 22.169 1.00 0.00 C ATOM 443 OE1 GLU A 29 8.828 23.906 23.013 1.00 0.00 O ATOM 444 OE2 GLU A 29 8.331 22.331 21.628 1.00 0.00 O1- ATOM 0 H GLU A 29 8.219 27.868 21.576 1.00 0.00 H new ATOM 0 HA GLU A 29 9.028 25.308 20.788 1.00 0.00 H new ATOM 0 HB2 GLU A 29 7.492 25.984 22.724 1.00 0.00 H new ATOM 0 HB3 GLU A 29 6.212 26.219 21.551 1.00 0.00 H new ATOM 0 HG2 GLU A 29 6.033 23.938 22.442 1.00 0.00 H new ATOM 0 HG3 GLU A 29 6.527 23.838 20.764 1.00 0.00 H new ATOM 451 N GLN A 30 7.048 26.814 18.688 1.00 0.00 N ATOM 452 CA GLN A 30 6.432 26.697 17.372 1.00 0.00 C ATOM 453 C GLN A 30 7.392 26.019 16.402 1.00 0.00 C ATOM 454 O GLN A 30 6.980 25.486 15.373 1.00 0.00 O ATOM 455 CB GLN A 30 6.036 28.076 16.842 1.00 0.00 C ATOM 456 CG GLN A 30 5.122 28.767 17.860 1.00 0.00 C ATOM 457 CD GLN A 30 3.770 28.066 17.928 1.00 0.00 C ATOM 458 OE1 GLN A 30 3.068 27.971 16.923 1.00 0.00 O ATOM 459 NE2 GLN A 30 3.362 27.564 19.062 1.00 0.00 N ATOM 0 H GLN A 30 7.050 27.756 19.079 1.00 0.00 H new ATOM 0 HA GLN A 30 5.532 26.088 17.463 1.00 0.00 H new ATOM 0 HB2 GLN A 30 6.926 28.680 16.666 1.00 0.00 H new ATOM 0 HB3 GLN A 30 5.524 27.977 15.885 1.00 0.00 H new ATOM 0 HG2 GLN A 30 5.592 28.759 18.843 1.00 0.00 H new ATOM 0 HG3 GLN A 30 4.983 29.812 17.582 1.00 0.00 H new ATOM 0 HE21 GLN A 30 3.946 27.644 19.895 1.00 0.00 H new ATOM 0 HE22 GLN A 30 2.459 27.092 19.115 1.00 0.00 H new ATOM 468 N LYS A 31 8.677 26.022 16.745 1.00 0.00 N ATOM 469 CA LYS A 31 9.670 25.379 15.901 1.00 0.00 C ATOM 470 C LYS A 31 9.189 23.976 15.559 1.00 0.00 C ATOM 471 O LYS A 31 9.379 23.482 14.443 1.00 0.00 O ATOM 472 CB LYS A 31 11.003 25.305 16.651 1.00 0.00 C ATOM 473 CG LYS A 31 10.837 24.416 17.885 1.00 0.00 C ATOM 474 CD LYS A 31 12.117 24.447 18.722 1.00 0.00 C ATOM 475 CE LYS A 31 12.117 23.264 19.689 1.00 0.00 C ATOM 476 NZ LYS A 31 12.595 23.714 21.027 1.00 0.00 N1+ ATOM 0 H LYS A 31 9.048 26.457 17.590 1.00 0.00 H new ATOM 0 HA LYS A 31 9.810 25.951 14.984 1.00 0.00 H new ATOM 0 HB2 LYS A 31 11.779 24.902 16.000 1.00 0.00 H new ATOM 0 HB3 LYS A 31 11.323 26.304 16.948 1.00 0.00 H new ATOM 0 HG2 LYS A 31 9.993 24.761 18.482 1.00 0.00 H new ATOM 0 HG3 LYS A 31 10.615 23.393 17.580 1.00 0.00 H new ATOM 0 HD2 LYS A 31 12.991 24.400 18.072 1.00 0.00 H new ATOM 0 HD3 LYS A 31 12.181 25.384 19.275 1.00 0.00 H new ATOM 0 HE2 LYS A 31 11.113 22.848 19.771 1.00 0.00 H new ATOM 0 HE3 LYS A 31 12.761 22.471 19.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 12.595 22.908 21.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 13.560 24.091 20.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 11.964 24.457 21.389 1.00 0.00 H new ATOM 490 N ASP A 32 8.546 23.349 16.538 1.00 0.00 N ATOM 491 CA ASP A 32 8.007 22.009 16.363 1.00 0.00 C ATOM 492 C ASP A 32 6.876 22.012 15.342 1.00 0.00 C ATOM 493 O ASP A 32 6.792 21.129 14.488 1.00 0.00 O ATOM 494 CB ASP A 32 7.482 21.488 17.700 1.00 0.00 C ATOM 495 CG ASP A 32 7.081 20.023 17.570 1.00 0.00 C ATOM 496 OD1 ASP A 32 7.477 19.403 16.595 1.00 0.00 O ATOM 497 OD2 ASP A 32 6.380 19.544 18.445 1.00 0.00 O1- ATOM 0 H ASP A 32 8.386 23.750 17.462 1.00 0.00 H new ATOM 0 HA ASP A 32 8.804 21.360 16.000 1.00 0.00 H new ATOM 0 HB2 ASP A 32 8.248 21.597 18.468 1.00 0.00 H new ATOM 0 HB3 ASP A 32 6.625 22.081 18.019 1.00 0.00 H new ATOM 502 N LEU A 33 6.007 23.015 15.437 1.00 0.00 N ATOM 503 CA LEU A 33 4.886 23.122 14.513 1.00 0.00 C ATOM 504 C LEU A 33 5.410 23.306 13.092 1.00 0.00 C ATOM 505 O LEU A 33 4.768 22.899 12.125 1.00 0.00 O ATOM 506 CB LEU A 33 3.983 24.297 14.900 1.00 0.00 C ATOM 507 CG LEU A 33 3.566 24.165 16.368 1.00 0.00 C ATOM 508 CD1 LEU A 33 2.535 25.244 16.705 1.00 0.00 C ATOM 509 CD2 LEU A 33 2.955 22.784 16.617 1.00 0.00 C ATOM 0 H LEU A 33 6.057 23.756 16.136 1.00 0.00 H new ATOM 0 HA LEU A 33 4.297 22.206 14.563 1.00 0.00 H new ATOM 0 HB2 LEU A 33 4.509 25.239 14.744 1.00 0.00 H new ATOM 0 HB3 LEU A 33 3.100 24.316 14.261 1.00 0.00 H new ATOM 0 HG LEU A 33 4.446 24.287 17.000 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.238 25.150 17.750 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.972 26.229 16.539 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.660 25.123 16.067 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.662 22.699 17.663 1.00 0.00 H new ATOM 0 HD22 LEU A 33 2.078 22.654 15.983 1.00 0.00 H new ATOM 0 HD23 LEU A 33 3.690 22.014 16.383 1.00 0.00 H new ATOM 521 N VAL A 34 6.590 23.915 12.975 1.00 0.00 N ATOM 522 CA VAL A 34 7.202 24.138 11.666 1.00 0.00 C ATOM 523 C VAL A 34 7.609 22.808 11.040 1.00 0.00 C ATOM 524 O VAL A 34 7.332 22.553 9.868 1.00 0.00 O ATOM 525 CB VAL A 34 8.427 25.064 11.801 1.00 0.00 C ATOM 526 CG1 VAL A 34 9.694 24.368 11.289 1.00 0.00 C ATOM 527 CG2 VAL A 34 8.202 26.326 10.970 1.00 0.00 C ATOM 0 H VAL A 34 7.137 24.260 13.764 1.00 0.00 H new ATOM 0 HA VAL A 34 6.472 24.619 11.016 1.00 0.00 H new ATOM 0 HB VAL A 34 8.553 25.313 12.855 1.00 0.00 H new ATOM 0 HG11 VAL A 34 10.546 25.040 11.394 1.00 0.00 H new ATOM 0 HG12 VAL A 34 9.872 23.463 11.870 1.00 0.00 H new ATOM 0 HG13 VAL A 34 9.566 24.106 10.239 1.00 0.00 H new ATOM 0 HG21 VAL A 34 9.067 26.983 11.064 1.00 0.00 H new ATOM 0 HG22 VAL A 34 8.065 26.053 9.924 1.00 0.00 H new ATOM 0 HG23 VAL A 34 7.313 26.844 11.329 1.00 0.00 H new ATOM 537 N ALA A 35 8.270 21.966 11.823 1.00 0.00 N ATOM 538 CA ALA A 35 8.700 20.673 11.314 1.00 0.00 C ATOM 539 C ALA A 35 7.490 19.879 10.839 1.00 0.00 C ATOM 540 O ALA A 35 7.566 19.153 9.847 1.00 0.00 O ATOM 541 CB ALA A 35 9.442 19.887 12.398 1.00 0.00 C ATOM 0 H ALA A 35 8.516 22.151 12.795 1.00 0.00 H new ATOM 0 HA ALA A 35 9.379 20.837 10.477 1.00 0.00 H new ATOM 0 HB1 ALA A 35 9.756 18.923 11.998 1.00 0.00 H new ATOM 0 HB2 ALA A 35 10.319 20.449 12.719 1.00 0.00 H new ATOM 0 HB3 ALA A 35 8.781 19.729 13.250 1.00 0.00 H new ATOM 547 N LYS A 36 6.369 20.027 11.545 1.00 0.00 N ATOM 548 CA LYS A 36 5.149 19.322 11.167 1.00 0.00 C ATOM 549 C LYS A 36 4.668 19.774 9.793 1.00 0.00 C ATOM 550 O LYS A 36 4.348 18.950 8.938 1.00 0.00 O ATOM 551 CB LYS A 36 4.046 19.564 12.203 1.00 0.00 C ATOM 552 CG LYS A 36 4.391 18.832 13.500 1.00 0.00 C ATOM 553 CD LYS A 36 3.224 18.958 14.480 1.00 0.00 C ATOM 554 CE LYS A 36 3.612 18.330 15.820 1.00 0.00 C ATOM 555 NZ LYS A 36 2.638 18.753 16.866 1.00 0.00 N1+ ATOM 0 H LYS A 36 6.282 20.620 12.370 1.00 0.00 H new ATOM 0 HA LYS A 36 5.375 18.256 11.129 1.00 0.00 H new ATOM 0 HB2 LYS A 36 3.940 20.632 12.393 1.00 0.00 H new ATOM 0 HB3 LYS A 36 3.089 19.212 11.819 1.00 0.00 H new ATOM 0 HG2 LYS A 36 4.596 17.781 13.294 1.00 0.00 H new ATOM 0 HG3 LYS A 36 5.296 19.253 13.939 1.00 0.00 H new ATOM 0 HD2 LYS A 36 2.965 20.007 14.620 1.00 0.00 H new ATOM 0 HD3 LYS A 36 2.341 18.462 14.076 1.00 0.00 H new ATOM 0 HE2 LYS A 36 3.622 17.243 15.735 1.00 0.00 H new ATOM 0 HE3 LYS A 36 4.620 18.638 16.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 2.901 18.327 17.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 2.649 19.789 16.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 1.683 18.438 16.599 1.00 0.00 H new ATOM 569 N LEU A 37 4.632 21.088 9.577 1.00 0.00 N ATOM 570 CA LEU A 37 4.199 21.618 8.288 1.00 0.00 C ATOM 571 C LEU A 37 5.161 21.147 7.207 1.00 0.00 C ATOM 572 O LEU A 37 4.761 20.846 6.082 1.00 0.00 O ATOM 573 CB LEU A 37 4.179 23.148 8.311 1.00 0.00 C ATOM 574 CG LEU A 37 3.304 23.668 7.163 1.00 0.00 C ATOM 575 CD1 LEU A 37 2.955 25.139 7.408 1.00 0.00 C ATOM 576 CD2 LEU A 37 4.056 23.540 5.834 1.00 0.00 C ATOM 0 H LEU A 37 4.893 21.794 10.266 1.00 0.00 H new ATOM 0 HA LEU A 37 3.191 21.258 8.081 1.00 0.00 H new ATOM 0 HB2 LEU A 37 3.792 23.502 9.266 1.00 0.00 H new ATOM 0 HB3 LEU A 37 5.193 23.537 8.214 1.00 0.00 H new ATOM 0 HG LEU A 37 2.389 23.077 7.118 1.00 0.00 H new ATOM 0 HD11 LEU A 37 2.333 25.506 6.591 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.411 25.232 8.348 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.872 25.727 7.459 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.428 23.911 5.024 1.00 0.00 H new ATOM 0 HD22 LEU A 37 4.975 24.125 5.878 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.300 22.493 5.653 1.00 0.00 H new ATOM 588 N THR A 38 6.436 21.084 7.575 1.00 0.00 N ATOM 589 CA THR A 38 7.479 20.646 6.660 1.00 0.00 C ATOM 590 C THR A 38 7.757 19.159 6.845 1.00 0.00 C ATOM 591 O THR A 38 7.168 18.509 7.709 1.00 0.00 O ATOM 592 CB THR A 38 8.765 21.436 6.918 1.00 0.00 C ATOM 593 OG1 THR A 38 8.435 22.745 7.356 1.00 0.00 O ATOM 594 CG2 THR A 38 9.593 21.516 5.634 1.00 0.00 C ATOM 0 H THR A 38 6.771 21.332 8.506 1.00 0.00 H new ATOM 0 HA THR A 38 7.140 20.822 5.639 1.00 0.00 H new ATOM 0 HB THR A 38 9.349 20.931 7.687 1.00 0.00 H new ATOM 0 HG1 THR A 38 8.158 22.715 8.295 1.00 0.00 H new ATOM 0 HG21 THR A 38 10.506 22.079 5.825 1.00 0.00 H new ATOM 0 HG22 THR A 38 9.850 20.510 5.303 1.00 0.00 H new ATOM 0 HG23 THR A 38 9.014 22.016 4.858 1.00 0.00 H new ATOM 602 N ASN A 39 8.659 18.629 6.029 1.00 0.00 N ATOM 603 CA ASN A 39 9.016 17.219 6.113 1.00 0.00 C ATOM 604 C ASN A 39 9.725 16.930 7.433 1.00 0.00 C ATOM 605 O ASN A 39 9.223 16.180 8.271 1.00 0.00 O ATOM 606 CB ASN A 39 9.933 16.854 4.946 1.00 0.00 C ATOM 607 CG ASN A 39 10.035 15.341 4.816 1.00 0.00 C ATOM 608 OD1 ASN A 39 9.061 14.683 4.453 1.00 0.00 O ATOM 609 ND2 ASN A 39 11.160 14.744 5.098 1.00 0.00 N ATOM 0 H ASN A 39 9.154 19.151 5.306 1.00 0.00 H new ATOM 0 HA ASN A 39 8.107 16.620 6.064 1.00 0.00 H new ATOM 0 HB2 ASN A 39 9.545 17.281 4.021 1.00 0.00 H new ATOM 0 HB3 ASN A 39 10.923 17.281 5.104 1.00 0.00 H new ATOM 0 HD21 ASN A 39 11.233 13.730 5.018 1.00 0.00 H new ATOM 0 HD22 ASN A 39 11.966 15.291 5.399 1.00 0.00 H new ATOM 616 N SER A 40 10.893 17.545 7.612 1.00 0.00 N ATOM 617 CA SER A 40 11.676 17.370 8.833 1.00 0.00 C ATOM 618 C SER A 40 12.887 18.298 8.817 1.00 0.00 C ATOM 619 O SER A 40 14.026 17.848 8.938 1.00 0.00 O ATOM 620 CB SER A 40 12.147 15.920 8.958 1.00 0.00 C ATOM 621 OG SER A 40 11.069 15.040 8.666 1.00 0.00 O ATOM 0 H SER A 40 11.318 18.169 6.926 1.00 0.00 H new ATOM 0 HA SER A 40 11.044 17.616 9.687 1.00 0.00 H new ATOM 0 HB2 SER A 40 12.975 15.736 8.274 1.00 0.00 H new ATOM 0 HB3 SER A 40 12.519 15.734 9.966 1.00 0.00 H new ATOM 0 HG SER A 40 10.220 15.479 8.884 1.00 0.00 H new ATOM 627 N ASP A 41 12.632 19.596 8.662 1.00 0.00 N ATOM 628 CA ASP A 41 13.707 20.580 8.625 1.00 0.00 C ATOM 629 C ASP A 41 13.889 21.223 10.000 1.00 0.00 C ATOM 630 O ASP A 41 12.941 21.298 10.782 1.00 0.00 O ATOM 631 CB ASP A 41 13.379 21.660 7.588 1.00 0.00 C ATOM 632 CG ASP A 41 13.077 21.020 6.234 1.00 0.00 C ATOM 633 OD1 ASP A 41 13.454 19.876 6.041 1.00 0.00 O1- ATOM 634 OD2 ASP A 41 12.472 21.686 5.409 1.00 0.00 O ATOM 0 H ASP A 41 11.695 19.987 8.561 1.00 0.00 H new ATOM 0 HA ASP A 41 14.634 20.078 8.348 1.00 0.00 H new ATOM 0 HB2 ASP A 41 12.522 22.245 7.921 1.00 0.00 H new ATOM 0 HB3 ASP A 41 14.218 22.350 7.493 1.00 0.00 H new ATOM 639 N PRO A 42 15.074 21.689 10.312 1.00 0.00 N ATOM 640 CA PRO A 42 15.357 22.341 11.618 1.00 0.00 C ATOM 641 C PRO A 42 14.965 23.817 11.609 1.00 0.00 C ATOM 642 O PRO A 42 13.796 24.152 11.800 1.00 0.00 O ATOM 643 CB PRO A 42 16.863 22.164 11.774 1.00 0.00 C ATOM 644 CG PRO A 42 17.403 22.131 10.381 1.00 0.00 C ATOM 645 CD PRO A 42 16.276 21.650 9.463 1.00 0.00 C ATOM 0 HA PRO A 42 14.788 21.908 12.441 1.00 0.00 H new ATOM 0 HB2 PRO A 42 17.298 22.984 12.345 1.00 0.00 H new ATOM 0 HB3 PRO A 42 17.097 21.243 12.309 1.00 0.00 H new ATOM 0 HG2 PRO A 42 17.747 23.120 10.080 1.00 0.00 H new ATOM 0 HG3 PRO A 42 18.261 21.462 10.318 1.00 0.00 H new ATOM 0 HD2 PRO A 42 16.169 22.297 8.592 1.00 0.00 H new ATOM 0 HD3 PRO A 42 16.468 20.644 9.091 1.00 0.00 H new ATOM 653 N ILE A 43 15.938 24.697 11.380 1.00 0.00 N ATOM 654 CA ILE A 43 15.653 26.130 11.345 1.00 0.00 C ATOM 655 C ILE A 43 14.840 26.498 10.114 1.00 0.00 C ATOM 656 O ILE A 43 14.168 27.529 10.095 1.00 0.00 O ATOM 657 CB ILE A 43 16.948 26.944 11.351 1.00 0.00 C ATOM 658 CG1 ILE A 43 17.725 26.657 12.643 1.00 0.00 C ATOM 659 CG2 ILE A 43 16.597 28.433 11.271 1.00 0.00 C ATOM 660 CD1 ILE A 43 19.009 27.495 12.683 1.00 0.00 C ATOM 0 H ILE A 43 16.914 24.449 11.219 1.00 0.00 H new ATOM 0 HA ILE A 43 15.074 26.366 12.238 1.00 0.00 H new ATOM 0 HB ILE A 43 17.567 26.669 10.497 1.00 0.00 H new ATOM 0 HG12 ILE A 43 17.104 26.887 13.509 1.00 0.00 H new ATOM 0 HG13 ILE A 43 17.971 25.597 12.700 1.00 0.00 H new ATOM 0 HG21 ILE A 43 17.513 29.023 11.275 1.00 0.00 H new ATOM 0 HG22 ILE A 43 16.044 28.628 10.352 1.00 0.00 H new ATOM 0 HG23 ILE A 43 15.984 28.709 12.129 1.00 0.00 H new ATOM 0 HD11 ILE A 43 19.553 27.284 13.604 1.00 0.00 H new ATOM 0 HD12 ILE A 43 19.634 27.244 11.826 1.00 0.00 H new ATOM 0 HD13 ILE A 43 18.754 28.554 12.647 1.00 0.00 H new ATOM 672 N MET A 44 14.907 25.665 9.081 1.00 0.00 N ATOM 673 CA MET A 44 14.165 25.948 7.860 1.00 0.00 C ATOM 674 C MET A 44 12.667 25.862 8.119 1.00 0.00 C ATOM 675 O MET A 44 12.114 24.774 8.281 1.00 0.00 O ATOM 676 CB MET A 44 14.544 24.959 6.751 1.00 0.00 C ATOM 677 CG MET A 44 14.970 25.718 5.488 1.00 0.00 C ATOM 678 SD MET A 44 14.521 24.752 4.027 1.00 0.00 S ATOM 679 CE MET A 44 12.975 25.621 3.662 1.00 0.00 C ATOM 0 H MET A 44 15.456 24.805 9.064 1.00 0.00 H new ATOM 0 HA MET A 44 14.421 26.958 7.539 1.00 0.00 H new ATOM 0 HB2 MET A 44 15.357 24.316 7.089 1.00 0.00 H new ATOM 0 HB3 MET A 44 13.697 24.311 6.526 1.00 0.00 H new ATOM 0 HG2 MET A 44 14.485 26.694 5.456 1.00 0.00 H new ATOM 0 HG3 MET A 44 16.045 25.897 5.503 1.00 0.00 H new ATOM 0 HE1 MET A 44 12.377 25.025 2.973 1.00 0.00 H new ATOM 0 HE2 MET A 44 12.418 25.776 4.586 1.00 0.00 H new ATOM 0 HE3 MET A 44 13.199 26.586 3.207 1.00 0.00 H new ATOM 689 N ASN A 45 12.020 27.017 8.151 1.00 0.00 N ATOM 690 CA ASN A 45 10.585 27.076 8.386 1.00 0.00 C ATOM 691 C ASN A 45 9.836 27.161 7.061 1.00 0.00 C ATOM 692 O ASN A 45 9.011 28.051 6.859 1.00 0.00 O ATOM 693 CB ASN A 45 10.256 28.302 9.240 1.00 0.00 C ATOM 694 CG ASN A 45 11.054 28.259 10.537 1.00 0.00 C ATOM 695 OD1 ASN A 45 11.835 27.242 10.775 1.00 0.00 O flip ATOM 696 ND2 ASN A 45 10.969 29.177 11.352 1.00 0.00 N flip ATOM 0 H ASN A 45 12.465 27.925 8.017 1.00 0.00 H new ATOM 0 HA ASN A 45 10.275 26.171 8.909 1.00 0.00 H new ATOM 0 HB2 ASN A 45 10.489 29.213 8.689 1.00 0.00 H new ATOM 0 HB3 ASN A 45 9.189 28.327 9.460 1.00 0.00 H new ATOM 0 HD21 ASN A 45 10.357 29.971 11.164 1.00 0.00 H new ATOM 0 HD22 ASN A 45 11.510 29.144 12.216 1.00 0.00 H new ATOM 703 N GLN A 46 10.147 26.245 6.149 1.00 0.00 N ATOM 704 CA GLN A 46 9.514 26.247 4.838 1.00 0.00 C ATOM 705 C GLN A 46 9.615 27.651 4.255 1.00 0.00 C ATOM 706 O GLN A 46 8.614 28.345 4.089 1.00 0.00 O ATOM 707 CB GLN A 46 8.033 25.822 4.908 1.00 0.00 C ATOM 708 CG GLN A 46 7.692 25.186 6.259 1.00 0.00 C ATOM 709 CD GLN A 46 6.857 26.162 7.073 1.00 0.00 C ATOM 710 OE1 GLN A 46 7.272 26.584 8.146 1.00 0.00 O ATOM 711 NE2 GLN A 46 5.703 26.560 6.613 1.00 0.00 N ATOM 0 H GLN A 46 10.827 25.499 6.293 1.00 0.00 H new ATOM 0 HA GLN A 46 10.029 25.524 4.206 1.00 0.00 H new ATOM 0 HB2 GLN A 46 7.396 26.691 4.743 1.00 0.00 H new ATOM 0 HB3 GLN A 46 7.819 25.114 4.107 1.00 0.00 H new ATOM 0 HG2 GLN A 46 7.143 24.256 6.109 1.00 0.00 H new ATOM 0 HG3 GLN A 46 8.606 24.934 6.797 1.00 0.00 H new ATOM 0 HE21 GLN A 46 5.361 26.207 5.719 1.00 0.00 H new ATOM 0 HE22 GLN A 46 5.143 27.225 7.147 1.00 0.00 H new ATOM 720 N LEU A 47 10.842 28.074 3.981 1.00 0.00 N ATOM 721 CA LEU A 47 11.078 29.415 3.453 1.00 0.00 C ATOM 722 C LEU A 47 10.152 29.752 2.287 1.00 0.00 C ATOM 723 O LEU A 47 9.492 30.789 2.302 1.00 0.00 O ATOM 724 CB LEU A 47 12.531 29.554 2.984 1.00 0.00 C ATOM 725 CG LEU A 47 13.493 29.496 4.176 1.00 0.00 C ATOM 726 CD1 LEU A 47 14.911 29.812 3.691 1.00 0.00 C ATOM 727 CD2 LEU A 47 13.084 30.535 5.223 1.00 0.00 C ATOM 0 H LEU A 47 11.685 27.515 4.114 1.00 0.00 H new ATOM 0 HA LEU A 47 10.872 30.111 4.266 1.00 0.00 H new ATOM 0 HB2 LEU A 47 12.769 28.757 2.279 1.00 0.00 H new ATOM 0 HB3 LEU A 47 12.658 30.497 2.453 1.00 0.00 H new ATOM 0 HG LEU A 47 13.460 28.500 4.619 1.00 0.00 H new ATOM 0 HD11 LEU A 47 15.601 29.773 4.534 1.00 0.00 H new ATOM 0 HD12 LEU A 47 15.211 29.079 2.942 1.00 0.00 H new ATOM 0 HD13 LEU A 47 14.931 30.809 3.252 1.00 0.00 H new ATOM 0 HD21 LEU A 47 13.771 30.490 6.068 1.00 0.00 H new ATOM 0 HD22 LEU A 47 13.118 31.531 4.780 1.00 0.00 H new ATOM 0 HD23 LEU A 47 12.071 30.326 5.567 1.00 0.00 H new ATOM 739 N ASP A 48 10.126 28.902 1.266 1.00 0.00 N ATOM 740 CA ASP A 48 9.302 29.172 0.091 1.00 0.00 C ATOM 741 C ASP A 48 7.819 29.302 0.444 1.00 0.00 C ATOM 742 O ASP A 48 7.167 30.255 0.018 1.00 0.00 O ATOM 743 CB ASP A 48 9.488 28.064 -0.943 1.00 0.00 C ATOM 744 CG ASP A 48 10.947 28.008 -1.386 1.00 0.00 C ATOM 745 OD1 ASP A 48 11.340 28.856 -2.173 1.00 0.00 O ATOM 746 OD2 ASP A 48 11.651 27.125 -0.926 1.00 0.00 O1- ATOM 0 H ASP A 48 10.657 28.032 1.226 1.00 0.00 H new ATOM 0 HA ASP A 48 9.629 30.126 -0.323 1.00 0.00 H new ATOM 0 HB2 ASP A 48 9.190 27.105 -0.519 1.00 0.00 H new ATOM 0 HB3 ASP A 48 8.844 28.246 -1.804 1.00 0.00 H new ATOM 751 N LEU A 49 7.285 28.358 1.210 1.00 0.00 N ATOM 752 CA LEU A 49 5.872 28.429 1.577 1.00 0.00 C ATOM 753 C LEU A 49 5.624 29.608 2.509 1.00 0.00 C ATOM 754 O LEU A 49 4.630 30.322 2.372 1.00 0.00 O ATOM 755 CB LEU A 49 5.425 27.135 2.261 1.00 0.00 C ATOM 756 CG LEU A 49 5.708 25.938 1.353 1.00 0.00 C ATOM 757 CD1 LEU A 49 5.139 24.669 1.992 1.00 0.00 C ATOM 758 CD2 LEU A 49 5.048 26.160 -0.011 1.00 0.00 C ATOM 0 H LEU A 49 7.791 27.554 1.582 1.00 0.00 H new ATOM 0 HA LEU A 49 5.293 28.565 0.663 1.00 0.00 H new ATOM 0 HB2 LEU A 49 5.950 27.015 3.209 1.00 0.00 H new ATOM 0 HB3 LEU A 49 4.361 27.184 2.490 1.00 0.00 H new ATOM 0 HG LEU A 49 6.785 25.830 1.221 1.00 0.00 H new ATOM 0 HD11 LEU A 49 5.340 23.815 1.346 1.00 0.00 H new ATOM 0 HD12 LEU A 49 5.609 24.508 2.962 1.00 0.00 H new ATOM 0 HD13 LEU A 49 4.063 24.779 2.124 1.00 0.00 H new ATOM 0 HD21 LEU A 49 5.251 25.306 -0.657 1.00 0.00 H new ATOM 0 HD22 LEU A 49 3.971 26.269 0.119 1.00 0.00 H new ATOM 0 HD23 LEU A 49 5.451 27.064 -0.468 1.00 0.00 H new ATOM 770 N LEU A 50 6.522 29.797 3.473 1.00 0.00 N ATOM 771 CA LEU A 50 6.363 30.883 4.432 1.00 0.00 C ATOM 772 C LEU A 50 6.324 32.218 3.699 1.00 0.00 C ATOM 773 O LEU A 50 5.499 33.076 4.007 1.00 0.00 O ATOM 774 CB LEU A 50 7.520 30.890 5.436 1.00 0.00 C ATOM 775 CG LEU A 50 7.082 31.631 6.703 1.00 0.00 C ATOM 776 CD1 LEU A 50 8.125 31.442 7.801 1.00 0.00 C ATOM 777 CD2 LEU A 50 6.935 33.122 6.409 1.00 0.00 C ATOM 0 H LEU A 50 7.353 29.222 3.609 1.00 0.00 H new ATOM 0 HA LEU A 50 5.428 30.732 4.971 1.00 0.00 H new ATOM 0 HB2 LEU A 50 7.812 29.869 5.680 1.00 0.00 H new ATOM 0 HB3 LEU A 50 8.393 31.375 5.000 1.00 0.00 H new ATOM 0 HG LEU A 50 6.125 31.227 7.032 1.00 0.00 H new ATOM 0 HD11 LEU A 50 7.808 31.971 8.699 1.00 0.00 H new ATOM 0 HD12 LEU A 50 8.231 30.380 8.024 1.00 0.00 H new ATOM 0 HD13 LEU A 50 9.083 31.839 7.465 1.00 0.00 H new ATOM 0 HD21 LEU A 50 6.623 33.642 7.315 1.00 0.00 H new ATOM 0 HD22 LEU A 50 7.891 33.522 6.071 1.00 0.00 H new ATOM 0 HD23 LEU A 50 6.186 33.267 5.631 1.00 0.00 H new ATOM 789 N HIS A 51 7.222 32.389 2.733 1.00 0.00 N ATOM 790 CA HIS A 51 7.282 33.626 1.969 1.00 0.00 C ATOM 791 C HIS A 51 5.962 33.914 1.264 1.00 0.00 C ATOM 792 O HIS A 51 5.438 35.026 1.347 1.00 0.00 O ATOM 793 CB HIS A 51 8.394 33.524 0.925 1.00 0.00 C ATOM 794 CG HIS A 51 9.714 33.306 1.614 1.00 0.00 C ATOM 795 ND1 HIS A 51 10.038 33.958 2.786 1.00 0.00 N ATOM 796 CD2 HIS A 51 10.814 32.550 1.291 1.00 0.00 C ATOM 797 CE1 HIS A 51 11.289 33.601 3.122 1.00 0.00 C ATOM 798 NE2 HIS A 51 11.809 32.741 2.246 1.00 0.00 N ATOM 0 H HIS A 51 7.914 31.689 2.463 1.00 0.00 H new ATOM 0 HA HIS A 51 7.484 34.441 2.664 1.00 0.00 H new ATOM 0 HB2 HIS A 51 8.189 32.701 0.240 1.00 0.00 H new ATOM 0 HB3 HIS A 51 8.430 34.435 0.327 1.00 0.00 H new ATOM 0 HD2 HIS A 51 10.895 31.906 0.428 1.00 0.00 H new ATOM 0 HE1 HIS A 51 11.810 33.966 3.995 1.00 0.00 H new ATOM 0 HE2 HIS A 51 12.735 32.315 2.270 1.00 0.00 H new ATOM 807 N LYS A 52 5.440 32.916 0.560 1.00 0.00 N ATOM 808 CA LYS A 52 4.189 33.083 -0.172 1.00 0.00 C ATOM 809 C LYS A 52 3.047 33.418 0.780 1.00 0.00 C ATOM 810 O LYS A 52 2.280 34.355 0.550 1.00 0.00 O ATOM 811 CB LYS A 52 3.856 31.794 -0.930 1.00 0.00 C ATOM 812 CG LYS A 52 4.919 31.536 -2.002 1.00 0.00 C ATOM 813 CD LYS A 52 4.499 30.336 -2.854 1.00 0.00 C ATOM 814 CE LYS A 52 3.360 30.751 -3.788 1.00 0.00 C ATOM 815 NZ LYS A 52 3.300 29.816 -4.947 1.00 0.00 N1+ ATOM 0 H LYS A 52 5.859 31.990 0.480 1.00 0.00 H new ATOM 0 HA LYS A 52 4.311 33.905 -0.877 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.813 30.954 -0.237 1.00 0.00 H new ATOM 0 HB3 LYS A 52 2.872 31.876 -1.392 1.00 0.00 H new ATOM 0 HG2 LYS A 52 5.039 32.418 -2.631 1.00 0.00 H new ATOM 0 HG3 LYS A 52 5.885 31.344 -1.534 1.00 0.00 H new ATOM 0 HD2 LYS A 52 5.347 29.974 -3.435 1.00 0.00 H new ATOM 0 HD3 LYS A 52 4.178 29.515 -2.213 1.00 0.00 H new ATOM 0 HE2 LYS A 52 2.412 30.741 -3.250 1.00 0.00 H new ATOM 0 HE3 LYS A 52 3.516 31.771 -4.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 2.526 30.099 -5.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 4.201 29.847 -5.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 3.131 28.849 -4.604 1.00 0.00 H new ATOM 829 N TRP A 53 2.948 32.643 1.847 1.00 0.00 N ATOM 830 CA TRP A 53 1.908 32.838 2.848 1.00 0.00 C ATOM 831 C TRP A 53 1.974 34.261 3.410 1.00 0.00 C ATOM 832 O TRP A 53 0.979 34.984 3.442 1.00 0.00 O ATOM 833 CB TRP A 53 2.147 31.822 3.963 1.00 0.00 C ATOM 834 CG TRP A 53 0.956 31.707 4.855 1.00 0.00 C ATOM 835 CD1 TRP A 53 -0.060 30.833 4.684 1.00 0.00 C ATOM 836 CD2 TRP A 53 0.658 32.452 6.065 1.00 0.00 C ATOM 837 NE1 TRP A 53 -0.968 30.996 5.715 1.00 0.00 N ATOM 838 CE2 TRP A 53 -0.568 31.982 6.594 1.00 0.00 C ATOM 839 CE3 TRP A 53 1.327 33.479 6.751 1.00 0.00 C ATOM 840 CZ2 TRP A 53 -1.107 32.513 7.765 1.00 0.00 C ATOM 841 CZ3 TRP A 53 0.788 34.017 7.929 1.00 0.00 C ATOM 842 CH2 TRP A 53 -0.426 33.536 8.435 1.00 0.00 C ATOM 0 H TRP A 53 3.580 31.867 2.045 1.00 0.00 H new ATOM 0 HA TRP A 53 0.922 32.698 2.406 1.00 0.00 H new ATOM 0 HB2 TRP A 53 2.374 30.848 3.529 1.00 0.00 H new ATOM 0 HB3 TRP A 53 3.016 32.120 4.550 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -0.149 30.123 3.875 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -1.827 30.454 5.813 1.00 0.00 H new ATOM 0 HE3 TRP A 53 2.264 33.857 6.369 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -2.043 32.138 8.152 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 1.312 34.806 8.448 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -0.837 33.954 9.342 1.00 0.00 H new ATOM 853 N LEU A 54 3.159 34.629 3.872 1.00 0.00 N ATOM 854 CA LEU A 54 3.374 35.950 4.458 1.00 0.00 C ATOM 855 C LEU A 54 2.967 37.058 3.489 1.00 0.00 C ATOM 856 O LEU A 54 2.204 37.960 3.843 1.00 0.00 O ATOM 857 CB LEU A 54 4.852 36.131 4.786 1.00 0.00 C ATOM 858 CG LEU A 54 5.037 37.437 5.567 1.00 0.00 C ATOM 859 CD1 LEU A 54 4.678 37.212 7.036 1.00 0.00 C ATOM 860 CD2 LEU A 54 6.491 37.904 5.468 1.00 0.00 C ATOM 0 H LEU A 54 3.988 34.035 3.854 1.00 0.00 H new ATOM 0 HA LEU A 54 2.764 36.016 5.359 1.00 0.00 H new ATOM 0 HB2 LEU A 54 5.213 35.287 5.374 1.00 0.00 H new ATOM 0 HB3 LEU A 54 5.440 36.155 3.869 1.00 0.00 H new ATOM 0 HG LEU A 54 4.384 38.199 5.142 1.00 0.00 H new ATOM 0 HD11 LEU A 54 4.810 38.142 7.589 1.00 0.00 H new ATOM 0 HD12 LEU A 54 3.640 36.889 7.111 1.00 0.00 H new ATOM 0 HD13 LEU A 54 5.328 36.444 7.456 1.00 0.00 H new ATOM 0 HD21 LEU A 54 6.614 38.832 6.026 1.00 0.00 H new ATOM 0 HD22 LEU A 54 7.148 37.141 5.885 1.00 0.00 H new ATOM 0 HD23 LEU A 54 6.749 38.072 4.422 1.00 0.00 H new ATOM 872 N ASP A 55 3.488 36.986 2.269 1.00 0.00 N ATOM 873 CA ASP A 55 3.195 37.989 1.248 1.00 0.00 C ATOM 874 C ASP A 55 1.701 38.092 0.958 1.00 0.00 C ATOM 875 O ASP A 55 1.173 39.187 0.769 1.00 0.00 O ATOM 876 CB ASP A 55 3.946 37.648 -0.037 1.00 0.00 C ATOM 877 CG ASP A 55 5.448 37.763 0.198 1.00 0.00 C ATOM 878 OD1 ASP A 55 5.836 38.553 1.044 1.00 0.00 O ATOM 879 OD2 ASP A 55 6.188 37.056 -0.467 1.00 0.00 O1- ATOM 0 H ASP A 55 4.116 36.243 1.961 1.00 0.00 H new ATOM 0 HA ASP A 55 3.524 38.955 1.630 1.00 0.00 H new ATOM 0 HB2 ASP A 55 3.695 36.637 -0.359 1.00 0.00 H new ATOM 0 HB3 ASP A 55 3.641 38.322 -0.837 1.00 0.00 H new ATOM 884 N ARG A 56 1.022 36.954 0.911 1.00 0.00 N ATOM 885 CA ARG A 56 -0.409 36.935 0.632 1.00 0.00 C ATOM 886 C ARG A 56 -1.195 37.667 1.718 1.00 0.00 C ATOM 887 O ARG A 56 -2.223 38.287 1.444 1.00 0.00 O ATOM 888 CB ARG A 56 -0.887 35.487 0.542 1.00 0.00 C ATOM 889 CG ARG A 56 -2.309 35.442 -0.014 1.00 0.00 C ATOM 890 CD ARG A 56 -2.752 33.985 -0.134 1.00 0.00 C ATOM 891 NE ARG A 56 -4.105 33.905 -0.665 1.00 0.00 N ATOM 892 CZ ARG A 56 -4.784 32.764 -0.645 1.00 0.00 C ATOM 893 NH1 ARG A 56 -4.212 31.674 -0.205 1.00 0.00 N ATOM 894 NH2 ARG A 56 -6.016 32.728 -1.073 1.00 0.00 N1+ ATOM 0 H ARG A 56 1.436 36.034 1.062 1.00 0.00 H new ATOM 0 HA ARG A 56 -0.582 37.447 -0.315 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -0.218 34.913 -0.100 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -0.858 35.023 1.528 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -2.987 35.988 0.642 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -2.347 35.928 -0.989 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -2.067 33.443 -0.786 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -2.710 33.504 0.843 1.00 0.00 H new ATOM 0 HE ARG A 56 -4.539 34.740 -1.059 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -3.246 31.701 0.122 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -4.731 30.796 -0.189 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -6.459 33.577 -1.424 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -6.536 31.851 -1.057 1.00 0.00 H new ATOM 908 N HIS A 57 -0.706 37.589 2.952 1.00 0.00 N ATOM 909 CA HIS A 57 -1.378 38.242 4.070 1.00 0.00 C ATOM 910 C HIS A 57 -0.560 39.415 4.592 1.00 0.00 C ATOM 911 O HIS A 57 -0.788 39.889 5.703 1.00 0.00 O ATOM 912 CB HIS A 57 -1.608 37.243 5.201 1.00 0.00 C ATOM 913 CG HIS A 57 -2.379 36.063 4.677 1.00 0.00 C ATOM 914 ND1 HIS A 57 -3.638 36.190 4.111 1.00 0.00 N ATOM 915 CD2 HIS A 57 -2.075 34.725 4.619 1.00 0.00 C ATOM 916 CE1 HIS A 57 -4.043 34.959 3.741 1.00 0.00 C ATOM 917 NE2 HIS A 57 -3.126 34.030 4.026 1.00 0.00 N ATOM 0 H HIS A 57 0.145 37.085 3.202 1.00 0.00 H new ATOM 0 HA HIS A 57 -2.336 38.617 3.711 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -0.653 36.914 5.610 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -2.157 37.718 6.014 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -1.159 34.279 4.979 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -4.993 34.749 3.272 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -3.183 33.027 3.848 1.00 0.00 H new ATOM 926 N ARG A 58 0.380 39.892 3.783 1.00 0.00 N ATOM 927 CA ARG A 58 1.211 41.023 4.181 1.00 0.00 C ATOM 928 C ARG A 58 0.343 42.180 4.653 1.00 0.00 C ATOM 929 O ARG A 58 0.716 42.915 5.564 1.00 0.00 O ATOM 930 CB ARG A 58 2.071 41.475 3.002 1.00 0.00 C ATOM 931 CG ARG A 58 1.165 41.895 1.840 1.00 0.00 C ATOM 932 CD ARG A 58 2.001 42.042 0.569 1.00 0.00 C ATOM 933 NE ARG A 58 2.949 43.147 0.706 1.00 0.00 N ATOM 934 CZ ARG A 58 2.802 44.284 0.024 1.00 0.00 C ATOM 935 NH1 ARG A 58 1.779 44.454 -0.769 1.00 0.00 N ATOM 936 NH2 ARG A 58 3.683 45.240 0.158 1.00 0.00 N1+ ATOM 0 H ARG A 58 0.585 39.518 2.856 1.00 0.00 H new ATOM 0 HA ARG A 58 1.856 40.709 5.002 1.00 0.00 H new ATOM 0 HB2 ARG A 58 2.707 42.308 3.301 1.00 0.00 H new ATOM 0 HB3 ARG A 58 2.731 40.666 2.688 1.00 0.00 H new ATOM 0 HG2 ARG A 58 0.382 41.152 1.689 1.00 0.00 H new ATOM 0 HG3 ARG A 58 0.670 42.838 2.073 1.00 0.00 H new ATOM 0 HD2 ARG A 58 2.540 41.115 0.371 1.00 0.00 H new ATOM 0 HD3 ARG A 58 1.347 42.219 -0.285 1.00 0.00 H new ATOM 0 HE ARG A 58 3.742 43.046 1.339 1.00 0.00 H new ATOM 0 HH11 ARG A 58 1.084 43.714 -0.871 1.00 0.00 H new ATOM 0 HH12 ARG A 58 1.674 45.327 -1.287 1.00 0.00 H new ATOM 0 HH21 ARG A 58 4.480 45.115 0.782 1.00 0.00 H new ATOM 0 HH22 ARG A 58 3.574 46.111 -0.362 1.00 0.00 H new ATOM 950 N ASP A 59 -0.816 42.332 4.026 1.00 0.00 N ATOM 951 CA ASP A 59 -1.729 43.407 4.391 1.00 0.00 C ATOM 952 C ASP A 59 -2.108 43.306 5.871 1.00 0.00 C ATOM 953 O ASP A 59 -2.392 44.315 6.515 1.00 0.00 O ATOM 954 CB ASP A 59 -2.985 43.356 3.514 1.00 0.00 C ATOM 955 CG ASP A 59 -3.769 42.075 3.780 1.00 0.00 C ATOM 956 OD1 ASP A 59 -3.291 41.257 4.550 1.00 0.00 O ATOM 957 OD2 ASP A 59 -4.841 41.934 3.213 1.00 0.00 O1- ATOM 0 H ASP A 59 -1.144 41.731 3.270 1.00 0.00 H new ATOM 0 HA ASP A 59 -1.227 44.361 4.227 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -3.613 44.223 3.717 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -2.704 43.406 2.462 1.00 0.00 H new ATOM 962 N MET A 60 -2.109 42.087 6.405 1.00 0.00 N ATOM 963 CA MET A 60 -2.451 41.865 7.806 1.00 0.00 C ATOM 964 C MET A 60 -1.486 42.599 8.741 1.00 0.00 C ATOM 965 O MET A 60 -1.840 42.939 9.868 1.00 0.00 O ATOM 966 CB MET A 60 -2.421 40.367 8.113 1.00 0.00 C ATOM 967 CG MET A 60 -0.971 39.896 8.244 1.00 0.00 C ATOM 968 SD MET A 60 -0.517 39.804 9.992 1.00 0.00 S ATOM 969 CE MET A 60 1.273 39.910 9.765 1.00 0.00 C ATOM 0 H MET A 60 -1.877 41.239 5.888 1.00 0.00 H new ATOM 0 HA MET A 60 -3.453 42.259 7.975 1.00 0.00 H new ATOM 0 HB2 MET A 60 -2.964 40.164 9.036 1.00 0.00 H new ATOM 0 HB3 MET A 60 -2.923 39.813 7.320 1.00 0.00 H new ATOM 0 HG2 MET A 60 -0.852 38.919 7.775 1.00 0.00 H new ATOM 0 HG3 MET A 60 -0.306 40.584 7.721 1.00 0.00 H new ATOM 0 HE1 MET A 60 1.751 39.049 10.232 1.00 0.00 H new ATOM 0 HE2 MET A 60 1.505 39.920 8.700 1.00 0.00 H new ATOM 0 HE3 MET A 60 1.645 40.825 10.226 1.00 0.00 H new ATOM 979 N CYS A 61 -0.263 42.818 8.273 1.00 0.00 N ATOM 980 CA CYS A 61 0.762 43.488 9.078 1.00 0.00 C ATOM 981 C CYS A 61 0.344 44.910 9.447 1.00 0.00 C ATOM 982 O CYS A 61 0.769 45.442 10.471 1.00 0.00 O ATOM 983 CB CYS A 61 2.081 43.539 8.302 1.00 0.00 C ATOM 984 SG CYS A 61 1.918 44.703 6.923 1.00 0.00 S ATOM 0 H CYS A 61 0.047 42.543 7.341 1.00 0.00 H new ATOM 0 HA CYS A 61 0.888 42.916 9.997 1.00 0.00 H new ATOM 0 HB2 CYS A 61 2.892 43.849 8.961 1.00 0.00 H new ATOM 0 HB3 CYS A 61 2.335 42.547 7.928 1.00 0.00 H new ATOM 0 HG CYS A 61 1.246 44.144 5.961 1.00 0.00 H new ATOM 990 N GLU A 62 -0.467 45.527 8.603 1.00 0.00 N ATOM 991 CA GLU A 62 -0.914 46.892 8.849 1.00 0.00 C ATOM 992 C GLU A 62 -1.975 46.962 9.950 1.00 0.00 C ATOM 993 O GLU A 62 -2.314 48.051 10.417 1.00 0.00 O ATOM 994 CB GLU A 62 -1.451 47.510 7.560 1.00 0.00 C ATOM 995 CG GLU A 62 -0.276 47.797 6.623 1.00 0.00 C ATOM 996 CD GLU A 62 -0.750 48.537 5.377 1.00 0.00 C ATOM 997 OE1 GLU A 62 -1.947 48.570 5.147 1.00 0.00 O1- ATOM 998 OE2 GLU A 62 0.095 49.060 4.669 1.00 0.00 O ATOM 0 H GLU A 62 -0.829 45.109 7.746 1.00 0.00 H new ATOM 0 HA GLU A 62 -0.050 47.461 9.193 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -2.158 46.831 7.082 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -1.992 48.430 7.780 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.474 48.393 7.143 1.00 0.00 H new ATOM 0 HG3 GLU A 62 0.204 46.861 6.336 1.00 0.00 H new ATOM 1005 N LYS A 63 -2.512 45.814 10.358 1.00 0.00 N ATOM 1006 CA LYS A 63 -3.540 45.788 11.394 1.00 0.00 C ATOM 1007 C LYS A 63 -2.919 45.803 12.792 1.00 0.00 C ATOM 1008 O LYS A 63 -3.570 45.430 13.768 1.00 0.00 O ATOM 1009 CB LYS A 63 -4.392 44.530 11.235 1.00 0.00 C ATOM 1010 CG LYS A 63 -4.881 44.439 9.791 1.00 0.00 C ATOM 1011 CD LYS A 63 -5.957 43.360 9.668 1.00 0.00 C ATOM 1012 CE LYS A 63 -5.355 41.986 9.978 1.00 0.00 C ATOM 1013 NZ LYS A 63 -5.660 41.049 8.860 1.00 0.00 N1+ ATOM 0 H LYS A 63 -2.255 44.898 9.991 1.00 0.00 H new ATOM 0 HA LYS A 63 -4.158 46.679 11.282 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -3.809 43.646 11.491 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -5.241 44.561 11.918 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -5.282 45.401 9.473 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -4.046 44.208 9.130 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -6.776 43.571 10.355 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -6.376 43.365 8.662 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -4.277 42.071 10.112 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -5.763 41.600 10.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -5.077 40.193 8.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -6.666 40.788 8.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -5.450 41.511 7.952 1.00 0.00 H new ATOM 1027 N TRP A 64 -1.674 46.257 12.888 1.00 0.00 N ATOM 1028 CA TRP A 64 -1.000 46.341 14.182 1.00 0.00 C ATOM 1029 C TRP A 64 0.352 47.031 14.047 1.00 0.00 C ATOM 1030 O TRP A 64 0.760 47.798 14.917 1.00 0.00 O ATOM 1031 CB TRP A 64 -0.810 44.950 14.784 1.00 0.00 C ATOM 1032 CG TRP A 64 -1.048 43.922 13.731 1.00 0.00 C ATOM 1033 CD1 TRP A 64 -0.315 43.794 12.610 1.00 0.00 C ATOM 1034 CD2 TRP A 64 -2.070 42.886 13.677 1.00 0.00 C ATOM 1035 NE1 TRP A 64 -0.814 42.743 11.866 1.00 0.00 N ATOM 1036 CE2 TRP A 64 -1.900 42.152 12.479 1.00 0.00 C ATOM 1037 CE3 TRP A 64 -3.116 42.517 14.537 1.00 0.00 C ATOM 1038 CZ2 TRP A 64 -2.739 41.088 12.146 1.00 0.00 C ATOM 1039 CZ3 TRP A 64 -3.962 41.446 14.208 1.00 0.00 C ATOM 1040 CH2 TRP A 64 -3.774 40.733 13.014 1.00 0.00 C ATOM 0 H TRP A 64 -1.114 46.570 12.095 1.00 0.00 H new ATOM 0 HA TRP A 64 -1.631 46.931 14.847 1.00 0.00 H new ATOM 0 HB2 TRP A 64 0.198 44.849 15.186 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -1.500 44.803 15.615 1.00 0.00 H new ATOM 0 HD1 TRP A 64 0.527 44.413 12.336 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -0.427 42.440 10.972 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -3.271 43.060 15.457 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -2.589 40.544 11.225 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -4.763 41.169 14.878 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -4.429 39.911 12.767 1.00 0.00 H new ATOM 1051 N LYS A 65 1.045 46.747 12.951 1.00 0.00 N ATOM 1052 CA LYS A 65 2.353 47.340 12.718 1.00 0.00 C ATOM 1053 C LYS A 65 3.326 46.912 13.816 1.00 0.00 C ATOM 1054 O LYS A 65 4.497 47.289 13.809 1.00 0.00 O ATOM 1055 CB LYS A 65 2.222 48.867 12.693 1.00 0.00 C ATOM 1056 CG LYS A 65 3.548 49.507 12.281 1.00 0.00 C ATOM 1057 CD LYS A 65 3.338 51.009 12.078 1.00 0.00 C ATOM 1058 CE LYS A 65 2.870 51.637 13.393 1.00 0.00 C ATOM 1059 NZ LYS A 65 3.420 53.018 13.512 1.00 0.00 N1+ ATOM 0 H LYS A 65 0.726 46.115 12.216 1.00 0.00 H new ATOM 0 HA LYS A 65 2.740 46.997 11.759 1.00 0.00 H new ATOM 0 HB2 LYS A 65 1.437 49.160 11.996 1.00 0.00 H new ATOM 0 HB3 LYS A 65 1.926 49.230 13.677 1.00 0.00 H new ATOM 0 HG2 LYS A 65 4.303 49.333 13.047 1.00 0.00 H new ATOM 0 HG3 LYS A 65 3.916 49.051 11.362 1.00 0.00 H new ATOM 0 HD2 LYS A 65 4.266 51.476 11.749 1.00 0.00 H new ATOM 0 HD3 LYS A 65 2.599 51.182 11.296 1.00 0.00 H new ATOM 0 HE2 LYS A 65 1.781 51.664 13.427 1.00 0.00 H new ATOM 0 HE3 LYS A 65 3.200 51.029 14.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 3.101 53.443 14.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 4.459 52.980 13.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 3.084 53.595 12.715 1.00 0.00 H new ATOM 1073 N SER A 66 2.821 46.111 14.757 1.00 0.00 N ATOM 1074 CA SER A 66 3.637 45.619 15.869 1.00 0.00 C ATOM 1075 C SER A 66 4.323 44.299 15.510 1.00 0.00 C ATOM 1076 O SER A 66 3.926 43.619 14.566 1.00 0.00 O ATOM 1077 CB SER A 66 2.767 45.434 17.112 1.00 0.00 C ATOM 1078 OG SER A 66 1.794 44.428 16.868 1.00 0.00 O ATOM 0 H SER A 66 1.853 45.790 14.771 1.00 0.00 H new ATOM 0 HA SER A 66 4.411 46.358 16.075 1.00 0.00 H new ATOM 0 HB2 SER A 66 3.387 45.155 17.964 1.00 0.00 H new ATOM 0 HB3 SER A 66 2.277 46.373 17.368 1.00 0.00 H new ATOM 0 HG SER A 66 0.921 44.731 17.195 1.00 0.00 H new ATOM 1084 N LYS A 67 5.370 43.954 16.261 1.00 0.00 N ATOM 1085 CA LYS A 67 6.118 42.726 15.993 1.00 0.00 C ATOM 1086 C LYS A 67 5.646 41.535 16.830 1.00 0.00 C ATOM 1087 O LYS A 67 5.204 40.526 16.285 1.00 0.00 O ATOM 1088 CB LYS A 67 7.605 42.948 16.258 1.00 0.00 C ATOM 1089 CG LYS A 67 8.354 41.660 15.920 1.00 0.00 C ATOM 1090 CD LYS A 67 9.855 41.838 16.168 1.00 0.00 C ATOM 1091 CE LYS A 67 10.625 40.704 15.477 1.00 0.00 C ATOM 1092 NZ LYS A 67 9.659 39.726 14.904 1.00 0.00 N1+ ATOM 0 H LYS A 67 5.716 44.500 17.050 1.00 0.00 H new ATOM 0 HA LYS A 67 5.939 42.486 14.945 1.00 0.00 H new ATOM 0 HB2 LYS A 67 7.979 43.774 15.653 1.00 0.00 H new ATOM 0 HB3 LYS A 67 7.768 43.218 17.301 1.00 0.00 H new ATOM 0 HG2 LYS A 67 7.973 40.839 16.528 1.00 0.00 H new ATOM 0 HG3 LYS A 67 8.180 41.393 14.878 1.00 0.00 H new ATOM 0 HD2 LYS A 67 10.186 42.803 15.785 1.00 0.00 H new ATOM 0 HD3 LYS A 67 10.061 41.833 17.238 1.00 0.00 H new ATOM 0 HE2 LYS A 67 11.260 41.109 14.689 1.00 0.00 H new ATOM 0 HE3 LYS A 67 11.281 40.207 16.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 10.135 38.812 14.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 8.861 39.601 15.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 9.306 40.081 13.992 1.00 0.00 H new ATOM 1106 N GLU A 68 5.783 41.642 18.149 1.00 0.00 N ATOM 1107 CA GLU A 68 5.409 40.541 19.037 1.00 0.00 C ATOM 1108 C GLU A 68 3.921 40.201 18.929 1.00 0.00 C ATOM 1109 O GLU A 68 3.537 39.029 18.991 1.00 0.00 O ATOM 1110 CB GLU A 68 5.742 40.907 20.488 1.00 0.00 C ATOM 1111 CG GLU A 68 7.243 41.172 20.623 1.00 0.00 C ATOM 1112 CD GLU A 68 7.603 41.384 22.090 1.00 0.00 C ATOM 1113 OE1 GLU A 68 6.728 41.218 22.924 1.00 0.00 O1- ATOM 1114 OE2 GLU A 68 8.751 41.698 22.357 1.00 0.00 O ATOM 0 H GLU A 68 6.146 42.469 18.624 1.00 0.00 H new ATOM 0 HA GLU A 68 5.979 39.664 18.730 1.00 0.00 H new ATOM 0 HB2 GLU A 68 5.179 41.790 20.789 1.00 0.00 H new ATOM 0 HB3 GLU A 68 5.445 40.097 21.155 1.00 0.00 H new ATOM 0 HG2 GLU A 68 7.807 40.332 20.219 1.00 0.00 H new ATOM 0 HG3 GLU A 68 7.520 42.051 20.041 1.00 0.00 H new ATOM 1121 N ASP A 69 3.085 41.222 18.774 1.00 0.00 N ATOM 1122 CA ASP A 69 1.645 40.996 18.678 1.00 0.00 C ATOM 1123 C ASP A 69 1.305 40.173 17.444 1.00 0.00 C ATOM 1124 O ASP A 69 0.525 39.220 17.510 1.00 0.00 O ATOM 1125 CB ASP A 69 0.901 42.333 18.634 1.00 0.00 C ATOM 1126 CG ASP A 69 -0.230 42.330 19.661 1.00 0.00 C ATOM 1127 OD1 ASP A 69 -0.059 41.710 20.698 1.00 0.00 O1- ATOM 1128 OD2 ASP A 69 -1.249 42.947 19.396 1.00 0.00 O ATOM 0 H ASP A 69 3.372 42.199 18.713 1.00 0.00 H new ATOM 0 HA ASP A 69 1.330 40.440 19.561 1.00 0.00 H new ATOM 0 HB2 ASP A 69 1.591 43.151 18.842 1.00 0.00 H new ATOM 0 HB3 ASP A 69 0.498 42.502 17.636 1.00 0.00 H new ATOM 1133 N ILE A 70 1.890 40.550 16.318 1.00 0.00 N ATOM 1134 CA ILE A 70 1.641 39.840 15.072 1.00 0.00 C ATOM 1135 C ILE A 70 2.050 38.382 15.198 1.00 0.00 C ATOM 1136 O ILE A 70 1.322 37.492 14.768 1.00 0.00 O ATOM 1137 CB ILE A 70 2.405 40.507 13.930 1.00 0.00 C ATOM 1138 CG1 ILE A 70 1.866 41.922 13.742 1.00 0.00 C ATOM 1139 CG2 ILE A 70 2.214 39.710 12.638 1.00 0.00 C ATOM 1140 CD1 ILE A 70 2.636 42.616 12.621 1.00 0.00 C ATOM 0 H ILE A 70 2.535 41.336 16.240 1.00 0.00 H new ATOM 0 HA ILE A 70 0.574 39.880 14.855 1.00 0.00 H new ATOM 0 HB ILE A 70 3.468 40.540 14.169 1.00 0.00 H new ATOM 0 HG12 ILE A 70 0.803 41.889 13.501 1.00 0.00 H new ATOM 0 HG13 ILE A 70 1.965 42.486 14.669 1.00 0.00 H new ATOM 0 HG21 ILE A 70 2.762 40.192 11.829 1.00 0.00 H new ATOM 0 HG22 ILE A 70 2.590 38.696 12.777 1.00 0.00 H new ATOM 0 HG23 ILE A 70 1.154 39.673 12.387 1.00 0.00 H new ATOM 0 HD11 ILE A 70 2.251 43.627 12.487 1.00 0.00 H new ATOM 0 HD12 ILE A 70 3.694 42.662 12.880 1.00 0.00 H new ATOM 0 HD13 ILE A 70 2.514 42.055 11.694 1.00 0.00 H new ATOM 1152 N LEU A 71 3.206 38.137 15.796 1.00 0.00 N ATOM 1153 CA LEU A 71 3.670 36.771 15.965 1.00 0.00 C ATOM 1154 C LEU A 71 2.616 35.944 16.684 1.00 0.00 C ATOM 1155 O LEU A 71 2.380 34.787 16.341 1.00 0.00 O ATOM 1156 CB LEU A 71 4.960 36.744 16.776 1.00 0.00 C ATOM 1157 CG LEU A 71 6.086 37.446 16.011 1.00 0.00 C ATOM 1158 CD1 LEU A 71 7.383 37.327 16.812 1.00 0.00 C ATOM 1159 CD2 LEU A 71 6.272 36.782 14.642 1.00 0.00 C ATOM 0 H LEU A 71 3.830 38.854 16.166 1.00 0.00 H new ATOM 0 HA LEU A 71 3.855 36.350 14.977 1.00 0.00 H new ATOM 0 HB2 LEU A 71 4.803 37.235 17.737 1.00 0.00 H new ATOM 0 HB3 LEU A 71 5.243 35.713 16.987 1.00 0.00 H new ATOM 0 HG LEU A 71 5.832 38.497 15.870 1.00 0.00 H new ATOM 0 HD11 LEU A 71 8.190 37.824 16.274 1.00 0.00 H new ATOM 0 HD12 LEU A 71 7.253 37.797 17.787 1.00 0.00 H new ATOM 0 HD13 LEU A 71 7.632 36.274 16.947 1.00 0.00 H new ATOM 0 HD21 LEU A 71 7.074 37.284 14.100 1.00 0.00 H new ATOM 0 HD22 LEU A 71 6.529 35.732 14.779 1.00 0.00 H new ATOM 0 HD23 LEU A 71 5.346 36.858 14.072 1.00 0.00 H new ATOM 1171 N HIS A 72 1.983 36.550 17.681 1.00 0.00 N ATOM 1172 CA HIS A 72 0.952 35.853 18.438 1.00 0.00 C ATOM 1173 C HIS A 72 -0.188 35.435 17.511 1.00 0.00 C ATOM 1174 O HIS A 72 -0.680 34.304 17.583 1.00 0.00 O ATOM 1175 CB HIS A 72 0.417 36.762 19.552 1.00 0.00 C ATOM 1176 CG HIS A 72 -0.511 35.976 20.436 1.00 0.00 C ATOM 1177 ND1 HIS A 72 -1.815 36.376 20.686 1.00 0.00 N ATOM 1178 CD2 HIS A 72 -0.335 34.810 21.133 1.00 0.00 C ATOM 1179 CE1 HIS A 72 -2.367 35.462 21.505 1.00 0.00 C ATOM 1180 NE2 HIS A 72 -1.507 34.485 21.807 1.00 0.00 N ATOM 0 H HIS A 72 2.162 37.508 17.981 1.00 0.00 H new ATOM 0 HA HIS A 72 1.386 34.959 18.887 1.00 0.00 H new ATOM 0 HB2 HIS A 72 1.244 37.162 20.139 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -0.109 37.614 19.120 1.00 0.00 H new ATOM 0 HD2 HIS A 72 0.576 34.231 21.156 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -3.381 35.512 21.873 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -1.674 33.675 22.404 1.00 0.00 H new ATOM 1189 N LYS A 73 -0.591 36.352 16.637 1.00 0.00 N ATOM 1190 CA LYS A 73 -1.668 36.077 15.689 1.00 0.00 C ATOM 1191 C LYS A 73 -1.283 34.931 14.762 1.00 0.00 C ATOM 1192 O LYS A 73 -2.037 33.972 14.599 1.00 0.00 O ATOM 1193 CB LYS A 73 -1.950 37.325 14.849 1.00 0.00 C ATOM 1194 CG LYS A 73 -2.157 38.541 15.758 1.00 0.00 C ATOM 1195 CD LYS A 73 -3.409 38.357 16.618 1.00 0.00 C ATOM 1196 CE LYS A 73 -4.633 38.173 15.714 1.00 0.00 C ATOM 1197 NZ LYS A 73 -4.777 36.735 15.349 1.00 0.00 N1+ ATOM 0 H LYS A 73 -0.191 37.288 16.565 1.00 0.00 H new ATOM 0 HA LYS A 73 -2.559 35.799 16.251 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -1.119 37.509 14.168 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -2.837 37.166 14.235 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -1.285 38.677 16.398 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -2.253 39.443 15.153 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -3.291 37.490 17.268 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -3.549 39.224 17.264 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -5.531 38.520 16.226 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -4.526 38.778 14.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -5.774 36.529 15.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -4.194 36.529 14.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -4.463 36.142 16.144 1.00 0.00 H new ATOM 1211 N LEU A 74 -0.114 35.044 14.141 1.00 0.00 N ATOM 1212 CA LEU A 74 0.343 34.010 13.224 1.00 0.00 C ATOM 1213 C LEU A 74 0.404 32.661 13.919 1.00 0.00 C ATOM 1214 O LEU A 74 0.036 31.651 13.332 1.00 0.00 O ATOM 1215 CB LEU A 74 1.724 34.352 12.660 1.00 0.00 C ATOM 1216 CG LEU A 74 1.585 35.317 11.481 1.00 0.00 C ATOM 1217 CD1 LEU A 74 0.617 36.445 11.831 1.00 0.00 C ATOM 1218 CD2 LEU A 74 2.956 35.910 11.149 1.00 0.00 C ATOM 0 H LEU A 74 0.526 35.830 14.254 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.374 33.958 12.404 1.00 0.00 H new ATOM 0 HB2 LEU A 74 2.342 34.802 13.437 1.00 0.00 H new ATOM 0 HB3 LEU A 74 2.230 33.442 12.338 1.00 0.00 H new ATOM 0 HG LEU A 74 1.197 34.772 10.620 1.00 0.00 H new ATOM 0 HD11 LEU A 74 0.528 37.124 10.983 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.362 36.025 12.064 1.00 0.00 H new ATOM 0 HD13 LEU A 74 0.993 36.992 12.696 1.00 0.00 H new ATOM 0 HD21 LEU A 74 2.861 36.598 10.309 1.00 0.00 H new ATOM 0 HD22 LEU A 74 3.340 36.447 12.016 1.00 0.00 H new ATOM 0 HD23 LEU A 74 3.645 35.108 10.885 1.00 0.00 H new ATOM 1230 N ASN A 75 0.866 32.639 15.161 1.00 0.00 N ATOM 1231 CA ASN A 75 0.956 31.382 15.888 1.00 0.00 C ATOM 1232 C ASN A 75 -0.403 30.692 15.922 1.00 0.00 C ATOM 1233 O ASN A 75 -0.508 29.496 15.650 1.00 0.00 O ATOM 1234 CB ASN A 75 1.437 31.635 17.317 1.00 0.00 C ATOM 1235 CG ASN A 75 2.828 32.260 17.294 1.00 0.00 C ATOM 1236 OD1 ASN A 75 3.626 31.972 16.402 1.00 0.00 O ATOM 1237 ND2 ASN A 75 3.169 33.105 18.228 1.00 0.00 N ATOM 0 H ASN A 75 1.179 33.461 15.678 1.00 0.00 H new ATOM 0 HA ASN A 75 1.670 30.737 15.377 1.00 0.00 H new ATOM 0 HB2 ASN A 75 0.740 32.296 17.833 1.00 0.00 H new ATOM 0 HB3 ASN A 75 1.459 30.698 17.874 1.00 0.00 H new ATOM 0 HD21 ASN A 75 4.097 33.527 18.219 1.00 0.00 H new ATOM 0 HD22 ASN A 75 2.507 33.343 18.967 1.00 0.00 H new ATOM 1244 N GLU A 76 -1.444 31.454 16.251 1.00 0.00 N ATOM 1245 CA GLU A 76 -2.790 30.892 16.310 1.00 0.00 C ATOM 1246 C GLU A 76 -3.261 30.490 14.909 1.00 0.00 C ATOM 1247 O GLU A 76 -3.885 29.442 14.719 1.00 0.00 O ATOM 1248 CB GLU A 76 -3.757 31.923 16.898 1.00 0.00 C ATOM 1249 CG GLU A 76 -5.053 31.230 17.320 1.00 0.00 C ATOM 1250 CD GLU A 76 -6.051 32.265 17.824 1.00 0.00 C ATOM 1251 OE1 GLU A 76 -5.695 33.431 17.867 1.00 0.00 O ATOM 1252 OE2 GLU A 76 -7.159 31.877 18.159 1.00 0.00 O1- ATOM 0 H GLU A 76 -1.383 32.447 16.477 1.00 0.00 H new ATOM 0 HA GLU A 76 -2.771 30.006 16.945 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -3.301 32.416 17.756 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -3.970 32.698 16.161 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -5.476 30.684 16.476 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -4.847 30.499 18.102 1.00 0.00 H new ATOM 1259 N GLN A 77 -2.951 31.331 13.929 1.00 0.00 N ATOM 1260 CA GLN A 77 -3.342 31.056 12.551 1.00 0.00 C ATOM 1261 C GLN A 77 -2.527 29.891 12.001 1.00 0.00 C ATOM 1262 O GLN A 77 -3.039 29.045 11.270 1.00 0.00 O ATOM 1263 CB GLN A 77 -3.122 32.301 11.687 1.00 0.00 C ATOM 1264 CG GLN A 77 -3.835 32.122 10.345 1.00 0.00 C ATOM 1265 CD GLN A 77 -5.344 32.218 10.543 1.00 0.00 C ATOM 1266 OE1 GLN A 77 -6.046 31.210 10.469 1.00 0.00 O ATOM 1267 NE2 GLN A 77 -5.887 33.379 10.791 1.00 0.00 N ATOM 0 H GLN A 77 -2.435 32.201 14.060 1.00 0.00 H new ATOM 0 HA GLN A 77 -4.399 30.791 12.529 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -3.504 33.184 12.199 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -2.056 32.462 11.526 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -3.502 32.885 9.642 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -3.577 31.156 9.912 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -5.303 34.213 10.852 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -6.896 33.452 10.924 1.00 0.00 H new ATOM 1276 N TRP A 78 -1.255 29.861 12.370 1.00 0.00 N ATOM 1277 CA TRP A 78 -0.361 28.801 11.923 1.00 0.00 C ATOM 1278 C TRP A 78 -0.957 27.450 12.274 1.00 0.00 C ATOM 1279 O TRP A 78 -0.975 26.529 11.456 1.00 0.00 O ATOM 1280 CB TRP A 78 0.992 28.945 12.619 1.00 0.00 C ATOM 1281 CG TRP A 78 2.061 28.284 11.817 1.00 0.00 C ATOM 1282 CD1 TRP A 78 2.188 26.949 11.618 1.00 0.00 C ATOM 1283 CD2 TRP A 78 3.170 28.914 11.118 1.00 0.00 C ATOM 1284 NE1 TRP A 78 3.308 26.726 10.833 1.00 0.00 N ATOM 1285 CE2 TRP A 78 3.943 27.905 10.504 1.00 0.00 C ATOM 1286 CE3 TRP A 78 3.575 30.252 10.956 1.00 0.00 C ATOM 1287 CZ2 TRP A 78 5.081 28.209 9.757 1.00 0.00 C ATOM 1288 CZ3 TRP A 78 4.722 30.562 10.205 1.00 0.00 C ATOM 1289 CH2 TRP A 78 5.473 29.541 9.607 1.00 0.00 C ATOM 0 H TRP A 78 -0.819 30.556 12.976 1.00 0.00 H new ATOM 0 HA TRP A 78 -0.230 28.875 10.844 1.00 0.00 H new ATOM 0 HB2 TRP A 78 1.229 30.000 12.753 1.00 0.00 H new ATOM 0 HB3 TRP A 78 0.946 28.500 13.613 1.00 0.00 H new ATOM 0 HD1 TRP A 78 1.528 26.188 12.006 1.00 0.00 H new ATOM 0 HE1 TRP A 78 3.624 25.803 10.535 1.00 0.00 H new ATOM 0 HE3 TRP A 78 3.001 31.045 11.411 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 5.656 27.419 9.297 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 5.026 31.592 10.088 1.00 0.00 H new ATOM 0 HH2 TRP A 78 6.354 29.784 9.031 1.00 0.00 H new ATOM 1300 N ASN A 79 -1.446 27.345 13.503 1.00 0.00 N ATOM 1301 CA ASN A 79 -2.047 26.111 13.977 1.00 0.00 C ATOM 1302 C ASN A 79 -3.293 25.763 13.166 1.00 0.00 C ATOM 1303 O ASN A 79 -3.515 24.603 12.823 1.00 0.00 O ATOM 1304 CB ASN A 79 -2.418 26.250 15.455 1.00 0.00 C ATOM 1305 CG ASN A 79 -1.164 26.458 16.298 1.00 0.00 C ATOM 1306 OD1 ASN A 79 -0.024 26.685 15.709 1.00 0.00 O flip ATOM 1307 ND2 ASN A 79 -1.228 26.418 17.527 1.00 0.00 N flip ATOM 0 H ASN A 79 -1.437 28.101 14.188 1.00 0.00 H new ATOM 0 HA ASN A 79 -1.320 25.308 13.855 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -3.098 27.091 15.589 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -2.946 25.357 15.790 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -2.122 26.240 17.986 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -0.387 26.563 18.086 1.00 0.00 H new ATOM 1314 N LYS A 80 -4.109 26.772 12.871 1.00 0.00 N ATOM 1315 CA LYS A 80 -5.336 26.550 12.103 1.00 0.00 C ATOM 1316 C LYS A 80 -5.055 26.291 10.622 1.00 0.00 C ATOM 1317 O LYS A 80 -5.832 25.612 9.951 1.00 0.00 O ATOM 1318 CB LYS A 80 -6.260 27.756 12.239 1.00 0.00 C ATOM 1319 CG LYS A 80 -6.805 27.820 13.665 1.00 0.00 C ATOM 1320 CD LYS A 80 -7.846 28.936 13.761 1.00 0.00 C ATOM 1321 CE LYS A 80 -8.298 29.094 15.214 1.00 0.00 C ATOM 1322 NZ LYS A 80 -9.225 27.984 15.574 1.00 0.00 N1+ ATOM 0 H LYS A 80 -3.948 27.741 13.147 1.00 0.00 H new ATOM 0 HA LYS A 80 -5.815 25.660 12.511 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -5.718 28.672 12.004 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -7.082 27.680 11.527 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -7.254 26.865 13.938 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -5.993 28.003 14.369 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -7.424 29.873 13.397 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -8.702 28.704 13.127 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -7.433 29.088 15.877 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -8.796 30.054 15.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -9.571 28.122 16.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -10.031 27.978 14.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -8.721 27.077 15.511 1.00 0.00 H new ATOM 1336 N ASP A 81 -3.958 26.840 10.109 1.00 0.00 N ATOM 1337 CA ASP A 81 -3.619 26.656 8.699 1.00 0.00 C ATOM 1338 C ASP A 81 -2.526 25.605 8.531 1.00 0.00 C ATOM 1339 O ASP A 81 -2.703 24.509 9.037 1.00 0.00 O ATOM 1340 CB ASP A 81 -3.153 27.984 8.098 1.00 0.00 C ATOM 1341 CG ASP A 81 -2.691 27.777 6.659 1.00 0.00 C ATOM 1342 OD1 ASP A 81 -2.802 26.663 6.175 1.00 0.00 O1- ATOM 1343 OD2 ASP A 81 -2.228 28.736 6.062 1.00 0.00 O ATOM 1344 OXT ASP A 81 -1.531 25.911 7.896 1.00 0.00 O ATOM 0 H ASP A 81 -3.296 27.408 10.638 1.00 0.00 H new ATOM 0 HA ASP A 81 -4.511 26.311 8.177 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -3.966 28.709 8.126 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -2.338 28.395 8.694 1.00 0.00 H new TER 1349 ASP A 81