USER MOD reduce.3.24.130724 H: found=0, std=0, add=666, rem=0, adj=21 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+ -168:sc= 0.00683 (180deg=-0.0331) USER MOD Set 1.2: A 51 HIS : no HD1:sc= -3.9! C(o=-3.9!,f=-3.8!) USER MOD Single : A 1 GLY N :NH3+ -110:sc= -0.524 (180deg=-2.2!) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 MET CE :methyl 146:sc= -0.443 (180deg=-1.92) USER MOD Single : A 7 ASN : amide:sc= -2.24! C(o=-2.2!,f=-5.6!) USER MOD Single : A 8 LYS NZ :NH3+ -152:sc= -5.28! (180deg=-6.14!) USER MOD Single : A 10 THR OG1 : rot 162:sc= -1.67 USER MOD Single : A 15 ASN :FLIP amide:sc= -0.19 F(o=-2.4!,f=-0.19) USER MOD Single : A 16 GLN : amide:sc= -7.2! C(o=-7.2!,f=-10!) USER MOD Single : A 19 GLN :FLIP amide:sc= -5.48! C(o=-7.1!,f=-5.5!) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -12.4! C(o=-12!,f=-15!) USER MOD Single : A 30 GLN : amide:sc= -6.64! C(o=-6.6!,f=-12!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ -153:sc= -5.49! (180deg=-6.25!) USER MOD Single : A 38 THR OG1 : rot -61:sc= 0.987 USER MOD Single : A 39 ASN : amide:sc= -1.91! C(o=-1.9!,f=-2.1!) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 44 MET CE :methyl 168:sc= -4.24! (180deg=-4.62!) USER MOD Single : A 45 ASN : amide:sc= -0.599 X(o=-0.6,f=-0.41) USER MOD Single : A 46 GLN : amide:sc= -6.92! C(o=-6.9!,f=-7.2!) USER MOD Single : A 52 LYS NZ :NH3+ 153:sc=-0.00524 (180deg=-0.313) USER MOD Single : A 57 HIS : no HE2:sc= -3.67! C(o=-3.7!,f=-9.4!) USER MOD Single : A 60 MET CE :methyl 162:sc= -0.0005 (180deg=-0.229) USER MOD Single : A 61 CYS SG : rot -88:sc= -1.02! USER MOD Single : A 63 LYS NZ :NH3+ -115:sc= -0.402 (180deg=-1.72) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot -145:sc= -2.19! USER MOD Single : A 67 LYS NZ :NH3+ 149:sc= -3.52! (180deg=-6.03!) USER MOD Single : A 72 HIS : no HD1:sc= -1.12 K(o=-1.1,f=-3.8!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= -2.04! C(o=-2!,f=-3.8!) USER MOD Single : A 77 GLN : amide:sc= -1.79 K(o=-1.8,f=-4.5!) USER MOD Single : A 79 ASN :FLIP amide:sc= -0.312 F(o=-2.7!,f=-0.31) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.874 60.934 -2.996 1.00 0.00 N ATOM 2 CA GLY A 1 0.221 59.597 -3.095 1.00 0.00 C ATOM 3 C GLY A 1 1.253 58.505 -2.838 1.00 0.00 C ATOM 4 O GLY A 1 1.249 57.866 -1.785 1.00 0.00 O ATOM 0 H1 GLY A 1 0.539 61.422 -2.141 1.00 0.00 H new ATOM 0 H2 GLY A 1 1.906 60.813 -2.944 1.00 0.00 H new ATOM 0 H3 GLY A 1 0.634 61.501 -3.834 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -0.590 59.523 -2.371 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -0.221 59.469 -4.083 1.00 0.00 H new ATOM 10 N PRO A 2 2.127 58.284 -3.780 1.00 0.00 N ATOM 11 CA PRO A 2 3.194 57.246 -3.668 1.00 0.00 C ATOM 12 C PRO A 2 4.245 57.615 -2.623 1.00 0.00 C ATOM 13 O PRO A 2 4.542 58.792 -2.420 1.00 0.00 O ATOM 14 CB PRO A 2 3.808 57.194 -5.070 1.00 0.00 C ATOM 15 CG PRO A 2 3.491 58.510 -5.700 1.00 0.00 C ATOM 16 CD PRO A 2 2.194 59.006 -5.058 1.00 0.00 C ATOM 0 HA PRO A 2 2.796 56.285 -3.342 1.00 0.00 H new ATOM 0 HB2 PRO A 2 4.885 57.033 -5.020 1.00 0.00 H new ATOM 0 HB3 PRO A 2 3.390 56.371 -5.650 1.00 0.00 H new ATOM 0 HG2 PRO A 2 4.300 59.222 -5.537 1.00 0.00 H new ATOM 0 HG3 PRO A 2 3.373 58.404 -6.778 1.00 0.00 H new ATOM 0 HD2 PRO A 2 2.212 60.085 -4.906 1.00 0.00 H new ATOM 0 HD3 PRO A 2 1.330 58.787 -5.685 1.00 0.00 H new ATOM 24 N LEU A 3 4.804 56.601 -1.965 1.00 0.00 N ATOM 25 CA LEU A 3 5.825 56.831 -0.946 1.00 0.00 C ATOM 26 C LEU A 3 5.263 57.652 0.216 1.00 0.00 C ATOM 27 O LEU A 3 4.060 57.638 0.472 1.00 0.00 O ATOM 28 CB LEU A 3 7.031 57.542 -1.565 1.00 0.00 C ATOM 29 CG LEU A 3 7.870 56.527 -2.347 1.00 0.00 C ATOM 30 CD1 LEU A 3 8.896 57.267 -3.211 1.00 0.00 C ATOM 31 CD2 LEU A 3 8.599 55.606 -1.362 1.00 0.00 C ATOM 0 H LEU A 3 4.569 55.620 -2.118 1.00 0.00 H new ATOM 0 HA LEU A 3 6.144 55.865 -0.554 1.00 0.00 H new ATOM 0 HB2 LEU A 3 6.697 58.341 -2.226 1.00 0.00 H new ATOM 0 HB3 LEU A 3 7.634 58.006 -0.785 1.00 0.00 H new ATOM 0 HG LEU A 3 7.219 55.933 -2.989 1.00 0.00 H new ATOM 0 HD11 LEU A 3 9.493 56.544 -3.767 1.00 0.00 H new ATOM 0 HD12 LEU A 3 8.377 57.923 -3.910 1.00 0.00 H new ATOM 0 HD13 LEU A 3 9.549 57.861 -2.572 1.00 0.00 H new ATOM 0 HD21 LEU A 3 9.197 54.882 -1.915 1.00 0.00 H new ATOM 0 HD22 LEU A 3 9.250 56.201 -0.721 1.00 0.00 H new ATOM 0 HD23 LEU A 3 7.869 55.079 -0.748 1.00 0.00 H new ATOM 43 N GLY A 4 6.140 58.356 0.929 1.00 0.00 N ATOM 44 CA GLY A 4 5.704 59.161 2.062 1.00 0.00 C ATOM 45 C GLY A 4 5.284 58.261 3.217 1.00 0.00 C ATOM 46 O GLY A 4 4.364 58.584 3.969 1.00 0.00 O ATOM 0 H GLY A 4 7.143 58.384 0.744 1.00 0.00 H new ATOM 0 HA2 GLY A 4 6.511 59.821 2.381 1.00 0.00 H new ATOM 0 HA3 GLY A 4 4.870 59.797 1.766 1.00 0.00 H new ATOM 50 N SER A 5 5.961 57.125 3.342 1.00 0.00 N ATOM 51 CA SER A 5 5.648 56.172 4.398 1.00 0.00 C ATOM 52 C SER A 5 4.193 55.725 4.296 1.00 0.00 C ATOM 53 O SER A 5 3.703 54.975 5.140 1.00 0.00 O ATOM 54 CB SER A 5 5.902 56.803 5.767 1.00 0.00 C ATOM 55 OG SER A 5 7.094 56.261 6.319 1.00 0.00 O ATOM 0 H SER A 5 6.726 56.843 2.729 1.00 0.00 H new ATOM 0 HA SER A 5 6.293 55.301 4.281 1.00 0.00 H new ATOM 0 HB2 SER A 5 5.991 57.885 5.671 1.00 0.00 H new ATOM 0 HB3 SER A 5 5.059 56.610 6.431 1.00 0.00 H new ATOM 0 HG SER A 5 7.261 56.665 7.196 1.00 0.00 H new ATOM 61 N MET A 6 3.509 56.185 3.252 1.00 0.00 N ATOM 62 CA MET A 6 2.113 55.819 3.046 1.00 0.00 C ATOM 63 C MET A 6 2.022 54.523 2.248 1.00 0.00 C ATOM 64 O MET A 6 0.962 53.905 2.162 1.00 0.00 O ATOM 65 CB MET A 6 1.392 56.939 2.293 1.00 0.00 C ATOM 66 CG MET A 6 0.956 58.022 3.281 1.00 0.00 C ATOM 67 SD MET A 6 1.360 59.652 2.606 1.00 0.00 S ATOM 68 CE MET A 6 0.549 59.440 1.004 1.00 0.00 C ATOM 0 H MET A 6 3.895 56.807 2.542 1.00 0.00 H new ATOM 0 HA MET A 6 1.639 55.671 4.017 1.00 0.00 H new ATOM 0 HB2 MET A 6 2.051 57.366 1.537 1.00 0.00 H new ATOM 0 HB3 MET A 6 0.524 56.539 1.770 1.00 0.00 H new ATOM 0 HG2 MET A 6 -0.115 57.949 3.468 1.00 0.00 H new ATOM 0 HG3 MET A 6 1.457 57.879 4.239 1.00 0.00 H new ATOM 0 HE1 MET A 6 0.138 60.394 0.675 1.00 0.00 H new ATOM 0 HE2 MET A 6 1.275 59.086 0.272 1.00 0.00 H new ATOM 0 HE3 MET A 6 -0.256 58.711 1.097 1.00 0.00 H new ATOM 78 N ASN A 7 3.146 54.125 1.666 1.00 0.00 N ATOM 79 CA ASN A 7 3.204 52.907 0.869 1.00 0.00 C ATOM 80 C ASN A 7 3.407 51.686 1.761 1.00 0.00 C ATOM 81 O ASN A 7 3.527 51.804 2.980 1.00 0.00 O ATOM 82 CB ASN A 7 4.362 53.001 -0.121 1.00 0.00 C ATOM 83 CG ASN A 7 5.677 52.800 0.623 1.00 0.00 C ATOM 84 OD1 ASN A 7 5.681 52.672 1.848 1.00 0.00 O ATOM 85 ND2 ASN A 7 6.801 52.770 -0.039 1.00 0.00 N ATOM 0 H ASN A 7 4.031 54.629 1.731 1.00 0.00 H new ATOM 0 HA ASN A 7 2.261 52.799 0.334 1.00 0.00 H new ATOM 0 HB2 ASN A 7 4.252 52.246 -0.900 1.00 0.00 H new ATOM 0 HB3 ASN A 7 4.355 53.972 -0.615 1.00 0.00 H new ATOM 0 HD21 ASN A 7 7.682 52.641 0.458 1.00 0.00 H new ATOM 0 HD22 ASN A 7 6.798 52.876 -1.053 1.00 0.00 H new ATOM 92 N LYS A 8 3.456 50.515 1.136 1.00 0.00 N ATOM 93 CA LYS A 8 3.656 49.270 1.868 1.00 0.00 C ATOM 94 C LYS A 8 5.140 49.074 2.179 1.00 0.00 C ATOM 95 O LYS A 8 5.958 49.951 1.903 1.00 0.00 O ATOM 96 CB LYS A 8 3.133 48.093 1.040 1.00 0.00 C ATOM 97 CG LYS A 8 1.635 48.282 0.786 1.00 0.00 C ATOM 98 CD LYS A 8 1.105 47.129 -0.070 1.00 0.00 C ATOM 99 CE LYS A 8 0.825 45.915 0.818 1.00 0.00 C ATOM 100 NZ LYS A 8 1.154 44.668 0.071 1.00 0.00 N1+ ATOM 0 H LYS A 8 3.360 50.402 0.127 1.00 0.00 H new ATOM 0 HA LYS A 8 3.105 49.318 2.807 1.00 0.00 H new ATOM 0 HB2 LYS A 8 3.670 48.032 0.093 1.00 0.00 H new ATOM 0 HB3 LYS A 8 3.309 47.155 1.567 1.00 0.00 H new ATOM 0 HG2 LYS A 8 1.098 48.320 1.734 1.00 0.00 H new ATOM 0 HG3 LYS A 8 1.459 49.232 0.282 1.00 0.00 H new ATOM 0 HD2 LYS A 8 0.193 47.434 -0.584 1.00 0.00 H new ATOM 0 HD3 LYS A 8 1.833 46.869 -0.839 1.00 0.00 H new ATOM 0 HE2 LYS A 8 1.419 45.973 1.730 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -0.222 45.905 1.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 0.564 43.887 0.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 0.970 44.812 -0.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 2.158 44.434 0.211 1.00 0.00 H new ATOM 114 N PHE A 9 5.481 47.932 2.768 1.00 0.00 N ATOM 115 CA PHE A 9 6.871 47.652 3.123 1.00 0.00 C ATOM 116 C PHE A 9 7.700 47.253 1.903 1.00 0.00 C ATOM 117 O PHE A 9 7.179 46.689 0.940 1.00 0.00 O ATOM 118 CB PHE A 9 6.929 46.535 4.166 1.00 0.00 C ATOM 119 CG PHE A 9 6.586 47.100 5.520 1.00 0.00 C ATOM 120 CD1 PHE A 9 7.459 47.999 6.140 1.00 0.00 C ATOM 121 CD2 PHE A 9 5.394 46.735 6.152 1.00 0.00 C ATOM 122 CE1 PHE A 9 7.142 48.533 7.395 1.00 0.00 C ATOM 123 CE2 PHE A 9 5.075 47.269 7.405 1.00 0.00 C ATOM 124 CZ PHE A 9 5.949 48.168 8.028 1.00 0.00 C ATOM 0 H PHE A 9 4.822 47.191 3.008 1.00 0.00 H new ATOM 0 HA PHE A 9 7.295 48.568 3.534 1.00 0.00 H new ATOM 0 HB2 PHE A 9 6.231 45.740 3.903 1.00 0.00 H new ATOM 0 HB3 PHE A 9 7.924 46.092 4.186 1.00 0.00 H new ATOM 0 HD1 PHE A 9 8.379 48.282 5.650 1.00 0.00 H new ATOM 0 HD2 PHE A 9 4.719 46.041 5.673 1.00 0.00 H new ATOM 0 HE1 PHE A 9 7.818 49.226 7.874 1.00 0.00 H new ATOM 0 HE2 PHE A 9 4.153 46.987 7.892 1.00 0.00 H new ATOM 0 HZ PHE A 9 5.703 48.579 8.996 1.00 0.00 H new ATOM 134 N THR A 10 8.999 47.558 1.959 1.00 0.00 N ATOM 135 CA THR A 10 9.905 47.238 0.857 1.00 0.00 C ATOM 136 C THR A 10 10.386 45.796 0.956 1.00 0.00 C ATOM 137 O THR A 10 10.302 45.176 2.014 1.00 0.00 O ATOM 138 CB THR A 10 11.115 48.174 0.881 1.00 0.00 C ATOM 139 OG1 THR A 10 11.791 48.042 2.120 1.00 0.00 O ATOM 140 CG2 THR A 10 10.650 49.618 0.696 1.00 0.00 C ATOM 0 H THR A 10 9.443 48.023 2.751 1.00 0.00 H new ATOM 0 HA THR A 10 9.360 47.368 -0.078 1.00 0.00 H new ATOM 0 HB THR A 10 11.795 47.910 0.071 1.00 0.00 H new ATOM 0 HG1 THR A 10 12.699 48.402 2.037 1.00 0.00 H new ATOM 0 HG21 THR A 10 11.513 50.283 0.713 1.00 0.00 H new ATOM 0 HG22 THR A 10 10.136 49.715 -0.260 1.00 0.00 H new ATOM 0 HG23 THR A 10 9.968 49.887 1.503 1.00 0.00 H new ATOM 148 N ASP A 11 10.884 45.267 -0.157 1.00 0.00 N ATOM 149 CA ASP A 11 11.367 43.893 -0.181 1.00 0.00 C ATOM 150 C ASP A 11 12.441 43.670 0.880 1.00 0.00 C ATOM 151 O ASP A 11 12.428 42.659 1.580 1.00 0.00 O ATOM 152 CB ASP A 11 11.935 43.562 -1.562 1.00 0.00 C ATOM 153 CG ASP A 11 10.815 43.577 -2.597 1.00 0.00 C ATOM 154 OD1 ASP A 11 9.696 43.895 -2.227 1.00 0.00 O ATOM 155 OD2 ASP A 11 11.090 43.259 -3.742 1.00 0.00 O1- ATOM 0 H ASP A 11 10.963 45.763 -1.045 1.00 0.00 H new ATOM 0 HA ASP A 11 10.525 43.235 0.035 1.00 0.00 H new ATOM 0 HB2 ASP A 11 12.703 44.287 -1.833 1.00 0.00 H new ATOM 0 HB3 ASP A 11 12.413 42.583 -1.544 1.00 0.00 H new ATOM 160 N ASP A 12 13.368 44.619 1.002 1.00 0.00 N ATOM 161 CA ASP A 12 14.434 44.499 1.993 1.00 0.00 C ATOM 162 C ASP A 12 13.854 44.495 3.401 1.00 0.00 C ATOM 163 O ASP A 12 14.211 43.662 4.235 1.00 0.00 O ATOM 164 CB ASP A 12 15.420 45.658 1.847 1.00 0.00 C ATOM 165 CG ASP A 12 16.232 45.491 0.567 1.00 0.00 C ATOM 166 OD1 ASP A 12 16.621 44.372 0.277 1.00 0.00 O1- ATOM 167 OD2 ASP A 12 16.459 46.486 -0.101 1.00 0.00 O ATOM 0 H ASP A 12 13.403 45.467 0.436 1.00 0.00 H new ATOM 0 HA ASP A 12 14.957 43.558 1.824 1.00 0.00 H new ATOM 0 HB2 ASP A 12 14.881 46.605 1.825 1.00 0.00 H new ATOM 0 HB3 ASP A 12 16.086 45.691 2.709 1.00 0.00 H new ATOM 172 N GLU A 13 12.943 45.425 3.649 1.00 0.00 N ATOM 173 CA GLU A 13 12.299 45.523 4.947 1.00 0.00 C ATOM 174 C GLU A 13 11.483 44.265 5.204 1.00 0.00 C ATOM 175 O GLU A 13 11.466 43.722 6.308 1.00 0.00 O ATOM 176 CB GLU A 13 11.395 46.755 4.951 1.00 0.00 C ATOM 177 CG GLU A 13 12.267 48.011 4.895 1.00 0.00 C ATOM 178 CD GLU A 13 11.395 49.261 4.852 1.00 0.00 C ATOM 179 OE1 GLU A 13 10.191 49.115 4.722 1.00 0.00 O ATOM 180 OE2 GLU A 13 11.943 50.346 4.944 1.00 0.00 O1- ATOM 0 H GLU A 13 12.635 46.120 2.969 1.00 0.00 H new ATOM 0 HA GLU A 13 13.046 45.619 5.735 1.00 0.00 H new ATOM 0 HB2 GLU A 13 10.718 46.728 4.097 1.00 0.00 H new ATOM 0 HB3 GLU A 13 10.776 46.766 5.848 1.00 0.00 H new ATOM 0 HG2 GLU A 13 12.922 48.046 5.766 1.00 0.00 H new ATOM 0 HG3 GLU A 13 12.909 47.977 4.015 1.00 0.00 H new ATOM 187 N TRP A 14 10.815 43.810 4.159 1.00 0.00 N ATOM 188 CA TRP A 14 10.003 42.618 4.243 1.00 0.00 C ATOM 189 C TRP A 14 10.885 41.421 4.586 1.00 0.00 C ATOM 190 O TRP A 14 10.549 40.622 5.458 1.00 0.00 O ATOM 191 CB TRP A 14 9.302 42.417 2.902 1.00 0.00 C ATOM 192 CG TRP A 14 8.036 41.648 3.084 1.00 0.00 C ATOM 193 CD1 TRP A 14 7.712 40.545 2.383 1.00 0.00 C ATOM 194 CD2 TRP A 14 6.920 41.905 3.992 1.00 0.00 C ATOM 195 NE1 TRP A 14 6.471 40.095 2.800 1.00 0.00 N ATOM 196 CE2 TRP A 14 5.943 40.902 3.789 1.00 0.00 C ATOM 197 CE3 TRP A 14 6.659 42.897 4.960 1.00 0.00 C ATOM 198 CZ2 TRP A 14 4.755 40.879 4.519 1.00 0.00 C ATOM 199 CZ3 TRP A 14 5.462 42.875 5.695 1.00 0.00 C ATOM 200 CH2 TRP A 14 4.513 41.869 5.475 1.00 0.00 C ATOM 0 H TRP A 14 10.822 44.253 3.240 1.00 0.00 H new ATOM 0 HA TRP A 14 9.253 42.718 5.027 1.00 0.00 H new ATOM 0 HB2 TRP A 14 9.085 43.385 2.450 1.00 0.00 H new ATOM 0 HB3 TRP A 14 9.962 41.886 2.216 1.00 0.00 H new ATOM 0 HD1 TRP A 14 8.322 40.086 1.619 1.00 0.00 H new ATOM 0 HE1 TRP A 14 6.004 39.270 2.424 1.00 0.00 H new ATOM 0 HE3 TRP A 14 7.384 43.678 5.137 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 4.026 40.101 4.346 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 5.272 43.639 6.435 1.00 0.00 H new ATOM 0 HH2 TRP A 14 3.595 41.858 6.044 1.00 0.00 H new ATOM 211 N ASN A 15 12.020 41.305 3.902 1.00 0.00 N ATOM 212 CA ASN A 15 12.941 40.201 4.156 1.00 0.00 C ATOM 213 C ASN A 15 13.341 40.143 5.627 1.00 0.00 C ATOM 214 O ASN A 15 13.469 39.059 6.200 1.00 0.00 O ATOM 215 CB ASN A 15 14.192 40.361 3.295 1.00 0.00 C ATOM 216 CG ASN A 15 13.862 40.057 1.839 1.00 0.00 C ATOM 217 OD1 ASN A 15 12.622 39.837 1.496 1.00 0.00 O flip ATOM 218 ND2 ASN A 15 14.755 40.020 0.993 1.00 0.00 N flip ATOM 0 H ASN A 15 12.322 41.954 3.175 1.00 0.00 H new ATOM 0 HA ASN A 15 12.432 39.272 3.900 1.00 0.00 H new ATOM 0 HB2 ASN A 15 14.579 41.376 3.385 1.00 0.00 H new ATOM 0 HB3 ASN A 15 14.975 39.689 3.647 1.00 0.00 H new ATOM 0 HD21 ASN A 15 15.723 40.193 1.265 1.00 0.00 H new ATOM 0 HD22 ASN A 15 14.527 39.817 0.020 1.00 0.00 H new ATOM 225 N GLN A 16 13.516 41.306 6.242 1.00 0.00 N ATOM 226 CA GLN A 16 13.877 41.340 7.654 1.00 0.00 C ATOM 227 C GLN A 16 12.733 40.754 8.466 1.00 0.00 C ATOM 228 O GLN A 16 12.948 39.980 9.400 1.00 0.00 O ATOM 229 CB GLN A 16 14.164 42.773 8.116 1.00 0.00 C ATOM 230 CG GLN A 16 15.583 43.179 7.701 1.00 0.00 C ATOM 231 CD GLN A 16 15.593 43.657 6.256 1.00 0.00 C ATOM 232 OE1 GLN A 16 15.105 44.747 5.957 1.00 0.00 O ATOM 233 NE2 GLN A 16 16.124 42.903 5.334 1.00 0.00 N ATOM 0 H GLN A 16 13.417 42.219 5.798 1.00 0.00 H new ATOM 0 HA GLN A 16 14.784 40.753 7.802 1.00 0.00 H new ATOM 0 HB2 GLN A 16 13.438 43.458 7.679 1.00 0.00 H new ATOM 0 HB3 GLN A 16 14.058 42.844 9.198 1.00 0.00 H new ATOM 0 HG2 GLN A 16 15.949 43.970 8.356 1.00 0.00 H new ATOM 0 HG3 GLN A 16 16.259 42.332 7.816 1.00 0.00 H new ATOM 0 HE21 GLN A 16 16.528 42.000 5.584 1.00 0.00 H new ATOM 0 HE22 GLN A 16 16.135 43.216 4.363 1.00 0.00 H new ATOM 242 N LEU A 17 11.513 41.124 8.091 1.00 0.00 N ATOM 243 CA LEU A 17 10.330 40.623 8.775 1.00 0.00 C ATOM 244 C LEU A 17 10.236 39.109 8.628 1.00 0.00 C ATOM 245 O LEU A 17 9.842 38.412 9.562 1.00 0.00 O ATOM 246 CB LEU A 17 9.070 41.274 8.205 1.00 0.00 C ATOM 247 CG LEU A 17 7.850 40.776 8.981 1.00 0.00 C ATOM 248 CD1 LEU A 17 7.896 41.315 10.412 1.00 0.00 C ATOM 249 CD2 LEU A 17 6.573 41.268 8.296 1.00 0.00 C ATOM 0 H LEU A 17 11.320 41.765 7.322 1.00 0.00 H new ATOM 0 HA LEU A 17 10.412 40.874 9.832 1.00 0.00 H new ATOM 0 HB2 LEU A 17 9.143 42.359 8.277 1.00 0.00 H new ATOM 0 HB3 LEU A 17 8.967 41.030 7.148 1.00 0.00 H new ATOM 0 HG LEU A 17 7.857 39.686 9.002 1.00 0.00 H new ATOM 0 HD11 LEU A 17 7.026 40.959 10.963 1.00 0.00 H new ATOM 0 HD12 LEU A 17 8.804 40.966 10.903 1.00 0.00 H new ATOM 0 HD13 LEU A 17 7.891 42.405 10.391 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.703 40.913 8.849 1.00 0.00 H new ATOM 0 HD22 LEU A 17 6.569 42.358 8.274 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.536 40.884 7.276 1.00 0.00 H new ATOM 261 N LYS A 18 10.612 38.599 7.456 1.00 0.00 N ATOM 262 CA LYS A 18 10.575 37.163 7.219 1.00 0.00 C ATOM 263 C LYS A 18 11.505 36.452 8.188 1.00 0.00 C ATOM 264 O LYS A 18 11.122 35.471 8.823 1.00 0.00 O ATOM 265 CB LYS A 18 11.018 36.866 5.789 1.00 0.00 C ATOM 266 CG LYS A 18 10.033 37.495 4.812 1.00 0.00 C ATOM 267 CD LYS A 18 10.463 37.176 3.382 1.00 0.00 C ATOM 268 CE LYS A 18 9.620 37.993 2.409 1.00 0.00 C ATOM 269 NZ LYS A 18 9.112 37.108 1.325 1.00 0.00 N1+ ATOM 0 H LYS A 18 10.942 39.154 6.666 1.00 0.00 H new ATOM 0 HA LYS A 18 9.556 36.807 7.369 1.00 0.00 H new ATOM 0 HB2 LYS A 18 12.019 37.261 5.618 1.00 0.00 H new ATOM 0 HB3 LYS A 18 11.068 35.789 5.629 1.00 0.00 H new ATOM 0 HG2 LYS A 18 9.029 37.113 4.995 1.00 0.00 H new ATOM 0 HG3 LYS A 18 9.996 38.574 4.960 1.00 0.00 H new ATOM 0 HD2 LYS A 18 11.520 37.406 3.248 1.00 0.00 H new ATOM 0 HD3 LYS A 18 10.341 36.111 3.182 1.00 0.00 H new ATOM 0 HE2 LYS A 18 8.785 38.456 2.935 1.00 0.00 H new ATOM 0 HE3 LYS A 18 10.217 38.800 1.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 8.714 37.689 0.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 9.894 36.533 0.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 8.373 36.483 1.705 1.00 0.00 H new ATOM 283 N GLN A 19 12.730 36.958 8.302 1.00 0.00 N ATOM 284 CA GLN A 19 13.702 36.359 9.204 1.00 0.00 C ATOM 285 C GLN A 19 13.175 36.393 10.630 1.00 0.00 C ATOM 286 O GLN A 19 13.287 35.413 11.366 1.00 0.00 O ATOM 287 CB GLN A 19 15.030 37.119 9.138 1.00 0.00 C ATOM 288 CG GLN A 19 15.855 36.633 7.944 1.00 0.00 C ATOM 289 CD GLN A 19 14.942 36.288 6.774 1.00 0.00 C ATOM 290 OE1 GLN A 19 14.535 35.059 6.618 1.00 0.00 O flip ATOM 291 NE2 GLN A 19 14.594 37.160 5.979 1.00 0.00 N flip ATOM 0 H GLN A 19 13.068 37.771 7.787 1.00 0.00 H new ATOM 0 HA GLN A 19 13.866 35.326 8.899 1.00 0.00 H new ATOM 0 HB2 GLN A 19 14.842 38.189 9.049 1.00 0.00 H new ATOM 0 HB3 GLN A 19 15.590 36.970 10.061 1.00 0.00 H new ATOM 0 HG2 GLN A 19 16.564 37.405 7.645 1.00 0.00 H new ATOM 0 HG3 GLN A 19 16.438 35.758 8.229 1.00 0.00 H new ATOM 0 HE21 GLN A 19 14.914 38.121 6.103 1.00 0.00 H new ATOM 0 HE22 GLN A 19 13.986 36.922 5.196 1.00 0.00 H new ATOM 300 N ASP A 20 12.602 37.526 11.020 1.00 0.00 N ATOM 301 CA ASP A 20 12.067 37.671 12.364 1.00 0.00 C ATOM 302 C ASP A 20 10.958 36.651 12.610 1.00 0.00 C ATOM 303 O ASP A 20 10.915 36.011 13.660 1.00 0.00 O ATOM 304 CB ASP A 20 11.518 39.087 12.546 1.00 0.00 C ATOM 305 CG ASP A 20 12.656 40.101 12.475 1.00 0.00 C ATOM 306 OD1 ASP A 20 13.801 39.684 12.523 1.00 0.00 O1- ATOM 307 OD2 ASP A 20 12.364 41.282 12.371 1.00 0.00 O ATOM 0 H ASP A 20 12.497 38.350 10.428 1.00 0.00 H new ATOM 0 HA ASP A 20 12.867 37.495 13.083 1.00 0.00 H new ATOM 0 HB2 ASP A 20 10.780 39.302 11.773 1.00 0.00 H new ATOM 0 HB3 ASP A 20 11.008 39.167 13.506 1.00 0.00 H new ATOM 312 N PHE A 21 10.067 36.492 11.635 1.00 0.00 N ATOM 313 CA PHE A 21 8.975 35.537 11.768 1.00 0.00 C ATOM 314 C PHE A 21 9.531 34.121 11.812 1.00 0.00 C ATOM 315 O PHE A 21 9.175 33.324 12.679 1.00 0.00 O ATOM 316 CB PHE A 21 8.011 35.683 10.593 1.00 0.00 C ATOM 317 CG PHE A 21 7.142 36.910 10.784 1.00 0.00 C ATOM 318 CD1 PHE A 21 7.530 37.939 11.662 1.00 0.00 C ATOM 319 CD2 PHE A 21 5.937 37.018 10.080 1.00 0.00 C ATOM 320 CE1 PHE A 21 6.716 39.063 11.826 1.00 0.00 C ATOM 321 CE2 PHE A 21 5.125 38.144 10.246 1.00 0.00 C ATOM 322 CZ PHE A 21 5.513 39.167 11.120 1.00 0.00 C ATOM 0 H PHE A 21 10.080 37.006 10.754 1.00 0.00 H new ATOM 0 HA PHE A 21 8.437 35.737 12.694 1.00 0.00 H new ATOM 0 HB2 PHE A 21 8.570 35.765 9.661 1.00 0.00 H new ATOM 0 HB3 PHE A 21 7.386 34.794 10.512 1.00 0.00 H new ATOM 0 HD1 PHE A 21 8.458 37.860 12.210 1.00 0.00 H new ATOM 0 HD2 PHE A 21 5.634 36.230 9.407 1.00 0.00 H new ATOM 0 HE1 PHE A 21 7.016 39.853 12.499 1.00 0.00 H new ATOM 0 HE2 PHE A 21 4.197 38.225 9.699 1.00 0.00 H new ATOM 0 HZ PHE A 21 4.884 40.035 11.249 1.00 0.00 H new ATOM 332 N ILE A 22 10.432 33.826 10.884 1.00 0.00 N ATOM 333 CA ILE A 22 11.056 32.516 10.845 1.00 0.00 C ATOM 334 C ILE A 22 11.733 32.255 12.180 1.00 0.00 C ATOM 335 O ILE A 22 11.534 31.213 12.805 1.00 0.00 O ATOM 336 CB ILE A 22 12.080 32.473 9.713 1.00 0.00 C ATOM 337 CG1 ILE A 22 11.352 32.619 8.376 1.00 0.00 C ATOM 338 CG2 ILE A 22 12.828 31.142 9.749 1.00 0.00 C ATOM 339 CD1 ILE A 22 12.355 33.010 7.291 1.00 0.00 C ATOM 0 H ILE A 22 10.743 34.470 10.157 1.00 0.00 H new ATOM 0 HA ILE A 22 10.305 31.747 10.665 1.00 0.00 H new ATOM 0 HB ILE A 22 12.795 33.287 9.832 1.00 0.00 H new ATOM 0 HG12 ILE A 22 10.861 31.682 8.112 1.00 0.00 H new ATOM 0 HG13 ILE A 22 10.572 33.376 8.455 1.00 0.00 H new ATOM 0 HG21 ILE A 22 13.558 31.113 8.940 1.00 0.00 H new ATOM 0 HG22 ILE A 22 13.341 31.039 10.705 1.00 0.00 H new ATOM 0 HG23 ILE A 22 12.119 30.323 9.627 1.00 0.00 H new ATOM 0 HD11 ILE A 22 11.837 33.114 6.337 1.00 0.00 H new ATOM 0 HD12 ILE A 22 12.825 33.958 7.554 1.00 0.00 H new ATOM 0 HD13 ILE A 22 13.119 32.237 7.206 1.00 0.00 H new ATOM 351 N SER A 23 12.518 33.230 12.622 1.00 0.00 N ATOM 352 CA SER A 23 13.204 33.123 13.898 1.00 0.00 C ATOM 353 C SER A 23 12.186 32.920 15.014 1.00 0.00 C ATOM 354 O SER A 23 12.367 32.075 15.887 1.00 0.00 O ATOM 355 CB SER A 23 14.013 34.394 14.164 1.00 0.00 C ATOM 356 OG SER A 23 14.679 34.274 15.413 1.00 0.00 O ATOM 0 H SER A 23 12.693 34.099 12.117 1.00 0.00 H new ATOM 0 HA SER A 23 13.881 32.269 13.867 1.00 0.00 H new ATOM 0 HB2 SER A 23 14.738 34.551 13.366 1.00 0.00 H new ATOM 0 HB3 SER A 23 13.355 35.263 14.172 1.00 0.00 H new ATOM 0 HG SER A 23 15.199 35.086 15.586 1.00 0.00 H new ATOM 362 N GLY A 24 11.102 33.690 14.969 1.00 0.00 N ATOM 363 CA GLY A 24 10.055 33.576 15.976 1.00 0.00 C ATOM 364 C GLY A 24 9.491 32.161 16.010 1.00 0.00 C ATOM 365 O GLY A 24 9.184 31.629 17.074 1.00 0.00 O ATOM 0 H GLY A 24 10.928 34.394 14.252 1.00 0.00 H new ATOM 0 HA2 GLY A 24 10.456 33.836 16.956 1.00 0.00 H new ATOM 0 HA3 GLY A 24 9.257 34.286 15.759 1.00 0.00 H new ATOM 369 N ILE A 25 9.358 31.558 14.836 1.00 0.00 N ATOM 370 CA ILE A 25 8.827 30.205 14.739 1.00 0.00 C ATOM 371 C ILE A 25 9.817 29.187 15.291 1.00 0.00 C ATOM 372 O ILE A 25 9.425 28.209 15.929 1.00 0.00 O ATOM 373 CB ILE A 25 8.524 29.876 13.278 1.00 0.00 C ATOM 374 CG1 ILE A 25 7.331 30.709 12.796 1.00 0.00 C ATOM 375 CG2 ILE A 25 8.209 28.387 13.141 1.00 0.00 C ATOM 376 CD1 ILE A 25 6.123 30.446 13.696 1.00 0.00 C ATOM 0 H ILE A 25 9.609 31.981 13.943 1.00 0.00 H new ATOM 0 HA ILE A 25 7.912 30.154 15.330 1.00 0.00 H new ATOM 0 HB ILE A 25 9.394 30.115 12.667 1.00 0.00 H new ATOM 0 HG12 ILE A 25 7.585 31.769 12.812 1.00 0.00 H new ATOM 0 HG13 ILE A 25 7.090 30.454 11.764 1.00 0.00 H new ATOM 0 HG21 ILE A 25 7.993 28.155 12.098 1.00 0.00 H new ATOM 0 HG22 ILE A 25 9.066 27.802 13.473 1.00 0.00 H new ATOM 0 HG23 ILE A 25 7.342 28.141 13.754 1.00 0.00 H new ATOM 0 HD11 ILE A 25 5.276 31.039 13.351 1.00 0.00 H new ATOM 0 HD12 ILE A 25 5.864 29.388 13.658 1.00 0.00 H new ATOM 0 HD13 ILE A 25 6.366 30.723 14.722 1.00 0.00 H new ATOM 388 N LEU A 26 11.098 29.419 15.045 1.00 0.00 N ATOM 389 CA LEU A 26 12.128 28.509 15.528 1.00 0.00 C ATOM 390 C LEU A 26 12.388 28.736 17.019 1.00 0.00 C ATOM 391 O LEU A 26 12.795 27.820 17.734 1.00 0.00 O ATOM 392 CB LEU A 26 13.414 28.704 14.721 1.00 0.00 C ATOM 393 CG LEU A 26 14.387 29.597 15.490 1.00 0.00 C ATOM 394 CD1 LEU A 26 15.061 28.786 16.600 1.00 0.00 C ATOM 395 CD2 LEU A 26 15.449 30.124 14.526 1.00 0.00 C ATOM 0 H LEU A 26 11.447 30.220 14.520 1.00 0.00 H new ATOM 0 HA LEU A 26 11.783 27.483 15.396 1.00 0.00 H new ATOM 0 HB2 LEU A 26 13.876 27.738 14.520 1.00 0.00 H new ATOM 0 HB3 LEU A 26 13.182 29.153 13.755 1.00 0.00 H new ATOM 0 HG LEU A 26 13.846 30.432 15.934 1.00 0.00 H new ATOM 0 HD11 LEU A 26 15.755 29.424 17.147 1.00 0.00 H new ATOM 0 HD12 LEU A 26 14.303 28.404 17.284 1.00 0.00 H new ATOM 0 HD13 LEU A 26 15.606 27.951 16.160 1.00 0.00 H new ATOM 0 HD21 LEU A 26 16.147 30.762 15.067 1.00 0.00 H new ATOM 0 HD22 LEU A 26 15.990 29.286 14.087 1.00 0.00 H new ATOM 0 HD23 LEU A 26 14.969 30.700 13.735 1.00 0.00 H new ATOM 407 N GLU A 27 12.122 29.955 17.480 1.00 0.00 N ATOM 408 CA GLU A 27 12.304 30.283 18.892 1.00 0.00 C ATOM 409 C GLU A 27 11.138 29.736 19.716 1.00 0.00 C ATOM 410 O GLU A 27 11.336 29.174 20.794 1.00 0.00 O ATOM 411 CB GLU A 27 12.410 31.799 19.082 1.00 0.00 C ATOM 412 CG GLU A 27 13.742 32.304 18.514 1.00 0.00 C ATOM 413 CD GLU A 27 14.907 31.711 19.298 1.00 0.00 C ATOM 414 OE1 GLU A 27 14.688 31.288 20.422 1.00 0.00 O1- ATOM 415 OE2 GLU A 27 16.002 31.689 18.763 1.00 0.00 O ATOM 0 H GLU A 27 11.783 30.725 16.904 1.00 0.00 H new ATOM 0 HA GLU A 27 13.230 29.822 19.236 1.00 0.00 H new ATOM 0 HB2 GLU A 27 11.579 32.296 18.581 1.00 0.00 H new ATOM 0 HB3 GLU A 27 12.339 32.048 20.141 1.00 0.00 H new ATOM 0 HG2 GLU A 27 13.825 32.030 17.462 1.00 0.00 H new ATOM 0 HG3 GLU A 27 13.777 33.392 18.563 1.00 0.00 H new ATOM 422 N ASN A 28 9.923 29.899 19.195 1.00 0.00 N ATOM 423 CA ASN A 28 8.730 29.416 19.885 1.00 0.00 C ATOM 424 C ASN A 28 8.584 27.907 19.715 1.00 0.00 C ATOM 425 O ASN A 28 9.309 27.286 18.940 1.00 0.00 O ATOM 426 CB ASN A 28 7.486 30.131 19.351 1.00 0.00 C ATOM 427 CG ASN A 28 7.292 29.820 17.872 1.00 0.00 C ATOM 428 OD1 ASN A 28 7.856 28.854 17.359 1.00 0.00 O ATOM 429 ND2 ASN A 28 6.525 30.592 17.152 1.00 0.00 N ATOM 0 H ASN A 28 9.740 30.359 18.303 1.00 0.00 H new ATOM 0 HA ASN A 28 8.834 29.634 20.948 1.00 0.00 H new ATOM 0 HB2 ASN A 28 6.607 29.816 19.914 1.00 0.00 H new ATOM 0 HB3 ASN A 28 7.587 31.207 19.493 1.00 0.00 H new ATOM 0 HD21 ASN A 28 6.391 30.396 16.160 1.00 0.00 H new ATOM 0 HD22 ASN A 28 6.059 31.392 17.581 1.00 0.00 H new ATOM 436 N GLU A 29 7.654 27.319 20.459 1.00 0.00 N ATOM 437 CA GLU A 29 7.440 25.877 20.397 1.00 0.00 C ATOM 438 C GLU A 29 6.954 25.442 19.012 1.00 0.00 C ATOM 439 O GLU A 29 7.204 24.312 18.589 1.00 0.00 O ATOM 440 CB GLU A 29 6.420 25.451 21.455 1.00 0.00 C ATOM 441 CG GLU A 29 6.461 23.931 21.614 1.00 0.00 C ATOM 442 CD GLU A 29 5.372 23.477 22.581 1.00 0.00 C ATOM 443 OE1 GLU A 29 4.574 24.313 22.974 1.00 0.00 O ATOM 444 OE2 GLU A 29 5.355 22.305 22.918 1.00 0.00 O1- ATOM 0 H GLU A 29 7.041 27.813 21.107 1.00 0.00 H new ATOM 0 HA GLU A 29 8.396 25.391 20.592 1.00 0.00 H new ATOM 0 HB2 GLU A 29 6.643 25.934 22.407 1.00 0.00 H new ATOM 0 HB3 GLU A 29 5.420 25.771 21.162 1.00 0.00 H new ATOM 0 HG2 GLU A 29 6.321 23.452 20.645 1.00 0.00 H new ATOM 0 HG3 GLU A 29 7.439 23.622 21.984 1.00 0.00 H new ATOM 451 N GLN A 30 6.252 26.336 18.319 1.00 0.00 N ATOM 452 CA GLN A 30 5.724 26.023 16.989 1.00 0.00 C ATOM 453 C GLN A 30 6.810 25.457 16.078 1.00 0.00 C ATOM 454 O GLN A 30 6.509 24.888 15.028 1.00 0.00 O ATOM 455 CB GLN A 30 5.137 27.278 16.340 1.00 0.00 C ATOM 456 CG GLN A 30 3.865 27.704 17.076 1.00 0.00 C ATOM 457 CD GLN A 30 3.968 27.350 18.555 1.00 0.00 C ATOM 458 OE1 GLN A 30 4.007 26.172 18.910 1.00 0.00 O ATOM 459 NE2 GLN A 30 4.015 28.304 19.442 1.00 0.00 N ATOM 0 H GLN A 30 6.036 27.276 18.651 1.00 0.00 H new ATOM 0 HA GLN A 30 4.944 25.272 17.117 1.00 0.00 H new ATOM 0 HB2 GLN A 30 5.869 28.086 16.364 1.00 0.00 H new ATOM 0 HB3 GLN A 30 4.912 27.083 15.291 1.00 0.00 H new ATOM 0 HG2 GLN A 30 3.712 28.777 16.961 1.00 0.00 H new ATOM 0 HG3 GLN A 30 2.999 27.210 16.636 1.00 0.00 H new ATOM 0 HE21 GLN A 30 3.982 29.279 19.144 1.00 0.00 H new ATOM 0 HE22 GLN A 30 4.084 28.075 20.434 1.00 0.00 H new ATOM 468 N LYS A 31 8.070 25.631 16.463 1.00 0.00 N ATOM 469 CA LYS A 31 9.173 25.141 15.642 1.00 0.00 C ATOM 470 C LYS A 31 9.003 23.659 15.325 1.00 0.00 C ATOM 471 O LYS A 31 9.268 23.223 14.207 1.00 0.00 O ATOM 472 CB LYS A 31 10.509 25.352 16.363 1.00 0.00 C ATOM 473 CG LYS A 31 10.644 24.350 17.515 1.00 0.00 C ATOM 474 CD LYS A 31 11.945 24.620 18.282 1.00 0.00 C ATOM 475 CE LYS A 31 12.201 23.487 19.282 1.00 0.00 C ATOM 476 NZ LYS A 31 12.141 24.025 20.672 1.00 0.00 N1+ ATOM 0 H LYS A 31 8.351 26.100 17.324 1.00 0.00 H new ATOM 0 HA LYS A 31 9.168 25.705 14.709 1.00 0.00 H new ATOM 0 HB2 LYS A 31 11.334 25.227 15.662 1.00 0.00 H new ATOM 0 HB3 LYS A 31 10.568 26.371 16.747 1.00 0.00 H new ATOM 0 HG2 LYS A 31 9.790 24.435 18.187 1.00 0.00 H new ATOM 0 HG3 LYS A 31 10.644 23.332 17.127 1.00 0.00 H new ATOM 0 HD2 LYS A 31 12.780 24.698 17.585 1.00 0.00 H new ATOM 0 HD3 LYS A 31 11.878 25.573 18.807 1.00 0.00 H new ATOM 0 HE2 LYS A 31 11.458 22.700 19.153 1.00 0.00 H new ATOM 0 HE3 LYS A 31 13.177 23.038 19.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 12.315 23.256 21.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 12.866 24.761 20.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 11.201 24.434 20.846 1.00 0.00 H new ATOM 490 N ASP A 32 8.563 22.884 16.306 1.00 0.00 N ATOM 491 CA ASP A 32 8.372 21.455 16.092 1.00 0.00 C ATOM 492 C ASP A 32 7.240 21.198 15.098 1.00 0.00 C ATOM 493 O ASP A 32 7.292 20.251 14.314 1.00 0.00 O ATOM 494 CB ASP A 32 8.084 20.758 17.425 1.00 0.00 C ATOM 495 CG ASP A 32 6.812 21.320 18.052 1.00 0.00 C ATOM 496 OD1 ASP A 32 6.140 22.093 17.390 1.00 0.00 O ATOM 497 OD2 ASP A 32 6.528 20.965 19.184 1.00 0.00 O1- ATOM 0 H ASP A 32 8.334 23.213 17.244 1.00 0.00 H new ATOM 0 HA ASP A 32 9.289 21.044 15.670 1.00 0.00 H new ATOM 0 HB2 ASP A 32 7.976 19.685 17.266 1.00 0.00 H new ATOM 0 HB3 ASP A 32 8.925 20.897 18.105 1.00 0.00 H new ATOM 502 N LEU A 33 6.223 22.054 15.132 1.00 0.00 N ATOM 503 CA LEU A 33 5.085 21.919 14.228 1.00 0.00 C ATOM 504 C LEU A 33 5.528 22.082 12.779 1.00 0.00 C ATOM 505 O LEU A 33 5.090 21.346 11.896 1.00 0.00 O ATOM 506 CB LEU A 33 4.047 22.989 14.556 1.00 0.00 C ATOM 507 CG LEU A 33 2.729 22.677 13.836 1.00 0.00 C ATOM 508 CD1 LEU A 33 1.554 23.167 14.681 1.00 0.00 C ATOM 509 CD2 LEU A 33 2.694 23.384 12.477 1.00 0.00 C ATOM 0 H LEU A 33 6.163 22.845 15.773 1.00 0.00 H new ATOM 0 HA LEU A 33 4.655 20.926 14.357 1.00 0.00 H new ATOM 0 HB2 LEU A 33 3.882 23.030 15.633 1.00 0.00 H new ATOM 0 HB3 LEU A 33 4.414 23.969 14.252 1.00 0.00 H new ATOM 0 HG LEU A 33 2.655 21.600 13.688 1.00 0.00 H new ATOM 0 HD11 LEU A 33 0.619 22.944 14.167 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.566 22.664 15.648 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.638 24.243 14.831 1.00 0.00 H new ATOM 0 HD21 LEU A 33 1.755 23.157 11.973 1.00 0.00 H new ATOM 0 HD22 LEU A 33 2.775 24.461 12.625 1.00 0.00 H new ATOM 0 HD23 LEU A 33 3.527 23.038 11.865 1.00 0.00 H new ATOM 521 N VAL A 34 6.398 23.056 12.546 1.00 0.00 N ATOM 522 CA VAL A 34 6.898 23.321 11.195 1.00 0.00 C ATOM 523 C VAL A 34 7.959 22.303 10.796 1.00 0.00 C ATOM 524 O VAL A 34 8.260 22.136 9.614 1.00 0.00 O ATOM 525 CB VAL A 34 7.482 24.736 11.108 1.00 0.00 C ATOM 526 CG1 VAL A 34 8.984 24.701 11.407 1.00 0.00 C ATOM 527 CG2 VAL A 34 7.253 25.284 9.697 1.00 0.00 C ATOM 0 H VAL A 34 6.772 23.674 13.266 1.00 0.00 H new ATOM 0 HA VAL A 34 6.058 23.237 10.506 1.00 0.00 H new ATOM 0 HB VAL A 34 6.991 25.378 11.839 1.00 0.00 H new ATOM 0 HG11 VAL A 34 9.391 25.710 11.343 1.00 0.00 H new ATOM 0 HG12 VAL A 34 9.146 24.307 12.410 1.00 0.00 H new ATOM 0 HG13 VAL A 34 9.485 24.061 10.681 1.00 0.00 H new ATOM 0 HG21 VAL A 34 7.665 26.290 9.626 1.00 0.00 H new ATOM 0 HG22 VAL A 34 7.747 24.638 8.971 1.00 0.00 H new ATOM 0 HG23 VAL A 34 6.184 25.315 9.488 1.00 0.00 H new ATOM 537 N ALA A 35 8.534 21.635 11.787 1.00 0.00 N ATOM 538 CA ALA A 35 9.570 20.645 11.524 1.00 0.00 C ATOM 539 C ALA A 35 9.045 19.543 10.609 1.00 0.00 C ATOM 540 O ALA A 35 9.767 19.040 9.750 1.00 0.00 O ATOM 541 CB ALA A 35 10.044 20.029 12.842 1.00 0.00 C ATOM 0 H ALA A 35 8.303 21.759 12.773 1.00 0.00 H new ATOM 0 HA ALA A 35 10.404 21.143 11.029 1.00 0.00 H new ATOM 0 HB1 ALA A 35 10.819 19.289 12.640 1.00 0.00 H new ATOM 0 HB2 ALA A 35 10.448 20.811 13.485 1.00 0.00 H new ATOM 0 HB3 ALA A 35 9.204 19.547 13.341 1.00 0.00 H new ATOM 547 N LYS A 36 7.787 19.170 10.801 1.00 0.00 N ATOM 548 CA LYS A 36 7.176 18.120 9.992 1.00 0.00 C ATOM 549 C LYS A 36 7.061 18.538 8.526 1.00 0.00 C ATOM 550 O LYS A 36 7.342 17.749 7.623 1.00 0.00 O ATOM 551 CB LYS A 36 5.781 17.796 10.532 1.00 0.00 C ATOM 552 CG LYS A 36 5.893 17.148 11.914 1.00 0.00 C ATOM 553 CD LYS A 36 5.724 18.214 12.997 1.00 0.00 C ATOM 554 CE LYS A 36 6.322 17.708 14.308 1.00 0.00 C ATOM 555 NZ LYS A 36 6.034 18.686 15.392 1.00 0.00 N1+ ATOM 0 H LYS A 36 7.171 19.575 11.506 1.00 0.00 H new ATOM 0 HA LYS A 36 7.816 17.240 10.050 1.00 0.00 H new ATOM 0 HB2 LYS A 36 5.186 18.707 10.595 1.00 0.00 H new ATOM 0 HB3 LYS A 36 5.264 17.124 9.847 1.00 0.00 H new ATOM 0 HG2 LYS A 36 5.132 16.376 12.027 1.00 0.00 H new ATOM 0 HG3 LYS A 36 6.861 16.658 12.020 1.00 0.00 H new ATOM 0 HD2 LYS A 36 6.216 19.138 12.693 1.00 0.00 H new ATOM 0 HD3 LYS A 36 4.668 18.446 13.132 1.00 0.00 H new ATOM 0 HE2 LYS A 36 5.902 16.734 14.560 1.00 0.00 H new ATOM 0 HE3 LYS A 36 7.398 17.573 14.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 6.769 18.618 16.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 6.025 19.648 14.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 5.106 18.476 15.812 1.00 0.00 H new ATOM 569 N LEU A 37 6.632 19.775 8.295 1.00 0.00 N ATOM 570 CA LEU A 37 6.464 20.272 6.931 1.00 0.00 C ATOM 571 C LEU A 37 7.800 20.400 6.201 1.00 0.00 C ATOM 572 O LEU A 37 7.890 20.103 5.010 1.00 0.00 O ATOM 573 CB LEU A 37 5.752 21.628 6.947 1.00 0.00 C ATOM 574 CG LEU A 37 5.423 22.050 5.509 1.00 0.00 C ATOM 575 CD1 LEU A 37 4.266 23.054 5.519 1.00 0.00 C ATOM 576 CD2 LEU A 37 6.651 22.697 4.855 1.00 0.00 C ATOM 0 H LEU A 37 6.396 20.447 9.025 1.00 0.00 H new ATOM 0 HA LEU A 37 5.857 19.544 6.392 1.00 0.00 H new ATOM 0 HB2 LEU A 37 4.838 21.564 7.537 1.00 0.00 H new ATOM 0 HB3 LEU A 37 6.385 22.378 7.422 1.00 0.00 H new ATOM 0 HG LEU A 37 5.137 21.166 4.939 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.034 23.352 4.497 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.388 22.593 5.970 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.552 23.933 6.097 1.00 0.00 H new ATOM 0 HD21 LEU A 37 6.406 22.993 3.835 1.00 0.00 H new ATOM 0 HD22 LEU A 37 6.947 23.577 5.427 1.00 0.00 H new ATOM 0 HD23 LEU A 37 7.473 21.982 4.838 1.00 0.00 H new ATOM 588 N THR A 38 8.835 20.850 6.906 1.00 0.00 N ATOM 589 CA THR A 38 10.143 21.013 6.282 1.00 0.00 C ATOM 590 C THR A 38 11.170 20.066 6.895 1.00 0.00 C ATOM 591 O THR A 38 12.372 20.214 6.677 1.00 0.00 O ATOM 592 CB THR A 38 10.619 22.461 6.427 1.00 0.00 C ATOM 593 OG1 THR A 38 11.958 22.564 5.968 1.00 0.00 O ATOM 594 CG2 THR A 38 10.546 22.892 7.893 1.00 0.00 C ATOM 0 H THR A 38 8.795 21.104 7.893 1.00 0.00 H new ATOM 0 HA THR A 38 10.043 20.769 5.224 1.00 0.00 H new ATOM 0 HB THR A 38 9.976 23.111 5.833 1.00 0.00 H new ATOM 0 HG1 THR A 38 12.534 21.982 6.507 1.00 0.00 H new ATOM 0 HG21 THR A 38 10.887 23.923 7.986 1.00 0.00 H new ATOM 0 HG22 THR A 38 9.517 22.817 8.244 1.00 0.00 H new ATOM 0 HG23 THR A 38 11.183 22.244 8.495 1.00 0.00 H new ATOM 602 N ASN A 39 10.690 19.093 7.665 1.00 0.00 N ATOM 603 CA ASN A 39 11.583 18.133 8.306 1.00 0.00 C ATOM 604 C ASN A 39 12.564 18.864 9.217 1.00 0.00 C ATOM 605 O ASN A 39 12.231 19.901 9.791 1.00 0.00 O ATOM 606 CB ASN A 39 12.356 17.347 7.247 1.00 0.00 C ATOM 607 CG ASN A 39 12.785 16.000 7.816 1.00 0.00 C ATOM 608 OD1 ASN A 39 11.970 15.281 8.392 1.00 0.00 O ATOM 609 ND2 ASN A 39 14.025 15.616 7.686 1.00 0.00 N ATOM 0 H ASN A 39 9.699 18.949 7.859 1.00 0.00 H new ATOM 0 HA ASN A 39 10.986 17.441 8.900 1.00 0.00 H new ATOM 0 HB2 ASN A 39 11.733 17.198 6.365 1.00 0.00 H new ATOM 0 HB3 ASN A 39 13.231 17.913 6.928 1.00 0.00 H new ATOM 0 HD21 ASN A 39 14.322 14.716 8.063 1.00 0.00 H new ATOM 0 HD22 ASN A 39 14.697 16.216 7.208 1.00 0.00 H new ATOM 616 N SER A 40 13.774 18.326 9.345 1.00 0.00 N ATOM 617 CA SER A 40 14.787 18.952 10.184 1.00 0.00 C ATOM 618 C SER A 40 15.319 20.215 9.511 1.00 0.00 C ATOM 619 O SER A 40 15.244 20.356 8.292 1.00 0.00 O ATOM 620 CB SER A 40 15.940 17.974 10.428 1.00 0.00 C ATOM 621 OG SER A 40 16.870 18.064 9.357 1.00 0.00 O ATOM 0 H SER A 40 14.073 17.467 8.883 1.00 0.00 H new ATOM 0 HA SER A 40 14.335 19.221 11.139 1.00 0.00 H new ATOM 0 HB2 SER A 40 16.433 18.204 11.373 1.00 0.00 H new ATOM 0 HB3 SER A 40 15.558 16.956 10.508 1.00 0.00 H new ATOM 0 HG SER A 40 17.609 17.440 9.512 1.00 0.00 H new ATOM 627 N ASP A 41 15.856 21.127 10.312 1.00 0.00 N ATOM 628 CA ASP A 41 16.398 22.375 9.785 1.00 0.00 C ATOM 629 C ASP A 41 16.356 23.456 10.855 1.00 0.00 C ATOM 630 O ASP A 41 15.466 23.464 11.705 1.00 0.00 O ATOM 631 CB ASP A 41 15.596 22.838 8.566 1.00 0.00 C ATOM 632 CG ASP A 41 16.270 22.350 7.287 1.00 0.00 C ATOM 633 OD1 ASP A 41 17.424 22.687 7.085 1.00 0.00 O ATOM 634 OD2 ASP A 41 15.621 21.648 6.528 1.00 0.00 O1- ATOM 0 H ASP A 41 15.928 21.028 11.325 1.00 0.00 H new ATOM 0 HA ASP A 41 17.431 22.199 9.485 1.00 0.00 H new ATOM 0 HB2 ASP A 41 14.578 22.452 8.621 1.00 0.00 H new ATOM 0 HB3 ASP A 41 15.525 23.926 8.558 1.00 0.00 H new ATOM 639 N PRO A 42 17.292 24.363 10.830 1.00 0.00 N ATOM 640 CA PRO A 42 17.355 25.470 11.822 1.00 0.00 C ATOM 641 C PRO A 42 16.274 26.522 11.578 1.00 0.00 C ATOM 642 O PRO A 42 15.152 26.396 12.066 1.00 0.00 O ATOM 643 CB PRO A 42 18.755 26.053 11.625 1.00 0.00 C ATOM 644 CG PRO A 42 19.129 25.725 10.218 1.00 0.00 C ATOM 645 CD PRO A 42 18.393 24.433 9.855 1.00 0.00 C ATOM 0 HA PRO A 42 17.178 25.123 12.840 1.00 0.00 H new ATOM 0 HB2 PRO A 42 18.758 27.130 11.791 1.00 0.00 H new ATOM 0 HB3 PRO A 42 19.464 25.619 12.331 1.00 0.00 H new ATOM 0 HG2 PRO A 42 18.846 26.534 9.544 1.00 0.00 H new ATOM 0 HG3 PRO A 42 20.207 25.595 10.125 1.00 0.00 H new ATOM 0 HD2 PRO A 42 18.019 24.461 8.832 1.00 0.00 H new ATOM 0 HD3 PRO A 42 19.049 23.566 9.931 1.00 0.00 H new ATOM 653 N ILE A 43 16.616 27.554 10.814 1.00 0.00 N ATOM 654 CA ILE A 43 15.659 28.614 10.509 1.00 0.00 C ATOM 655 C ILE A 43 14.962 28.322 9.190 1.00 0.00 C ATOM 656 O ILE A 43 13.937 28.924 8.873 1.00 0.00 O ATOM 657 CB ILE A 43 16.372 29.973 10.430 1.00 0.00 C ATOM 658 CG1 ILE A 43 17.085 30.107 9.076 1.00 0.00 C ATOM 659 CG2 ILE A 43 17.394 30.084 11.568 1.00 0.00 C ATOM 660 CD1 ILE A 43 17.837 31.441 9.002 1.00 0.00 C ATOM 0 H ILE A 43 17.539 27.680 10.398 1.00 0.00 H new ATOM 0 HA ILE A 43 14.917 28.652 11.307 1.00 0.00 H new ATOM 0 HB ILE A 43 15.637 30.772 10.527 1.00 0.00 H new ATOM 0 HG12 ILE A 43 17.782 29.280 8.941 1.00 0.00 H new ATOM 0 HG13 ILE A 43 16.358 30.046 8.266 1.00 0.00 H new ATOM 0 HG21 ILE A 43 17.899 31.048 11.511 1.00 0.00 H new ATOM 0 HG22 ILE A 43 16.882 29.999 12.526 1.00 0.00 H new ATOM 0 HG23 ILE A 43 18.129 29.284 11.477 1.00 0.00 H new ATOM 0 HD11 ILE A 43 18.338 31.523 8.037 1.00 0.00 H new ATOM 0 HD12 ILE A 43 17.131 32.264 9.116 1.00 0.00 H new ATOM 0 HD13 ILE A 43 18.578 31.486 9.800 1.00 0.00 H new ATOM 672 N MET A 44 15.521 27.389 8.425 1.00 0.00 N ATOM 673 CA MET A 44 14.929 27.030 7.146 1.00 0.00 C ATOM 674 C MET A 44 13.622 26.296 7.383 1.00 0.00 C ATOM 675 O MET A 44 13.596 25.075 7.534 1.00 0.00 O ATOM 676 CB MET A 44 15.885 26.141 6.346 1.00 0.00 C ATOM 677 CG MET A 44 15.479 26.143 4.869 1.00 0.00 C ATOM 678 SD MET A 44 14.247 24.850 4.576 1.00 0.00 S ATOM 679 CE MET A 44 13.004 25.901 3.785 1.00 0.00 C ATOM 0 H MET A 44 16.370 26.876 8.665 1.00 0.00 H new ATOM 0 HA MET A 44 14.740 27.939 6.575 1.00 0.00 H new ATOM 0 HB2 MET A 44 16.908 26.503 6.452 1.00 0.00 H new ATOM 0 HB3 MET A 44 15.864 25.124 6.737 1.00 0.00 H new ATOM 0 HG2 MET A 44 15.072 27.116 4.595 1.00 0.00 H new ATOM 0 HG3 MET A 44 16.354 25.975 4.241 1.00 0.00 H new ATOM 0 HE1 MET A 44 12.238 25.276 3.326 1.00 0.00 H new ATOM 0 HE2 MET A 44 12.545 26.547 4.533 1.00 0.00 H new ATOM 0 HE3 MET A 44 13.480 26.514 3.019 1.00 0.00 H new ATOM 689 N ASN A 45 12.539 27.057 7.424 1.00 0.00 N ATOM 690 CA ASN A 45 11.228 26.481 7.654 1.00 0.00 C ATOM 691 C ASN A 45 10.298 26.801 6.494 1.00 0.00 C ATOM 692 O ASN A 45 9.496 27.729 6.570 1.00 0.00 O ATOM 693 CB ASN A 45 10.647 27.036 8.956 1.00 0.00 C ATOM 694 CG ASN A 45 11.576 26.708 10.122 1.00 0.00 C ATOM 695 OD1 ASN A 45 11.868 25.539 10.375 1.00 0.00 O ATOM 696 ND2 ASN A 45 12.074 27.677 10.844 1.00 0.00 N ATOM 0 H ASN A 45 12.544 28.070 7.301 1.00 0.00 H new ATOM 0 HA ASN A 45 11.325 25.398 7.732 1.00 0.00 H new ATOM 0 HB2 ASN A 45 10.518 28.115 8.875 1.00 0.00 H new ATOM 0 HB3 ASN A 45 9.660 26.609 9.135 1.00 0.00 H new ATOM 0 HD21 ASN A 45 12.705 27.465 11.617 1.00 0.00 H new ATOM 0 HD22 ASN A 45 11.832 28.645 10.634 1.00 0.00 H new ATOM 703 N GLN A 46 10.433 26.042 5.411 1.00 0.00 N ATOM 704 CA GLN A 46 9.617 26.261 4.221 1.00 0.00 C ATOM 705 C GLN A 46 9.607 27.744 3.869 1.00 0.00 C ATOM 706 O GLN A 46 8.556 28.382 3.811 1.00 0.00 O ATOM 707 CB GLN A 46 8.185 25.740 4.430 1.00 0.00 C ATOM 708 CG GLN A 46 7.527 26.407 5.647 1.00 0.00 C ATOM 709 CD GLN A 46 6.059 25.996 5.752 1.00 0.00 C ATOM 710 OE1 GLN A 46 5.667 25.348 6.722 1.00 0.00 O ATOM 711 NE2 GLN A 46 5.220 26.339 4.815 1.00 0.00 N ATOM 0 H GLN A 46 11.097 25.272 5.332 1.00 0.00 H new ATOM 0 HA GLN A 46 10.053 25.704 3.392 1.00 0.00 H new ATOM 0 HB2 GLN A 46 7.590 25.935 3.538 1.00 0.00 H new ATOM 0 HB3 GLN A 46 8.205 24.659 4.570 1.00 0.00 H new ATOM 0 HG2 GLN A 46 8.057 26.122 6.556 1.00 0.00 H new ATOM 0 HG3 GLN A 46 7.602 27.491 5.560 1.00 0.00 H new ATOM 0 HE21 GLN A 46 5.545 26.876 4.011 1.00 0.00 H new ATOM 0 HE22 GLN A 46 4.239 26.070 4.886 1.00 0.00 H new ATOM 720 N LEU A 47 10.803 28.278 3.643 1.00 0.00 N ATOM 721 CA LEU A 47 10.954 29.689 3.311 1.00 0.00 C ATOM 722 C LEU A 47 10.090 30.072 2.110 1.00 0.00 C ATOM 723 O LEU A 47 9.419 31.102 2.126 1.00 0.00 O ATOM 724 CB LEU A 47 12.415 30.002 2.980 1.00 0.00 C ATOM 725 CG LEU A 47 13.318 29.612 4.148 1.00 0.00 C ATOM 726 CD1 LEU A 47 14.768 29.951 3.796 1.00 0.00 C ATOM 727 CD2 LEU A 47 12.907 30.391 5.399 1.00 0.00 C ATOM 0 H LEU A 47 11.679 27.756 3.684 1.00 0.00 H new ATOM 0 HA LEU A 47 10.634 30.264 4.180 1.00 0.00 H new ATOM 0 HB2 LEU A 47 12.716 29.461 2.083 1.00 0.00 H new ATOM 0 HB3 LEU A 47 12.527 31.065 2.764 1.00 0.00 H new ATOM 0 HG LEU A 47 13.223 28.543 4.340 1.00 0.00 H new ATOM 0 HD11 LEU A 47 15.418 29.675 4.626 1.00 0.00 H new ATOM 0 HD12 LEU A 47 15.064 29.399 2.904 1.00 0.00 H new ATOM 0 HD13 LEU A 47 14.856 31.021 3.607 1.00 0.00 H new ATOM 0 HD21 LEU A 47 13.553 30.111 6.231 1.00 0.00 H new ATOM 0 HD22 LEU A 47 13.003 31.460 5.210 1.00 0.00 H new ATOM 0 HD23 LEU A 47 11.872 30.158 5.649 1.00 0.00 H new ATOM 739 N ASP A 48 10.133 29.255 1.061 1.00 0.00 N ATOM 740 CA ASP A 48 9.374 29.549 -0.152 1.00 0.00 C ATOM 741 C ASP A 48 7.879 29.647 0.126 1.00 0.00 C ATOM 742 O ASP A 48 7.233 30.621 -0.264 1.00 0.00 O ATOM 743 CB ASP A 48 9.615 28.458 -1.196 1.00 0.00 C ATOM 744 CG ASP A 48 11.031 28.568 -1.751 1.00 0.00 C ATOM 745 OD1 ASP A 48 11.742 29.465 -1.330 1.00 0.00 O ATOM 746 OD2 ASP A 48 11.380 27.759 -2.595 1.00 0.00 O1- ATOM 0 H ASP A 48 10.678 28.394 1.025 1.00 0.00 H new ATOM 0 HA ASP A 48 9.719 30.513 -0.526 1.00 0.00 H new ATOM 0 HB2 ASP A 48 9.467 27.476 -0.748 1.00 0.00 H new ATOM 0 HB3 ASP A 48 8.891 28.551 -2.005 1.00 0.00 H new ATOM 751 N LEU A 49 7.329 28.645 0.798 1.00 0.00 N ATOM 752 CA LEU A 49 5.905 28.658 1.110 1.00 0.00 C ATOM 753 C LEU A 49 5.605 29.751 2.124 1.00 0.00 C ATOM 754 O LEU A 49 4.583 30.433 2.038 1.00 0.00 O ATOM 755 CB LEU A 49 5.481 27.309 1.677 1.00 0.00 C ATOM 756 CG LEU A 49 5.640 26.230 0.606 1.00 0.00 C ATOM 757 CD1 LEU A 49 7.125 25.935 0.394 1.00 0.00 C ATOM 758 CD2 LEU A 49 4.929 24.953 1.062 1.00 0.00 C ATOM 0 H LEU A 49 7.836 27.826 1.133 1.00 0.00 H new ATOM 0 HA LEU A 49 5.348 28.853 0.194 1.00 0.00 H new ATOM 0 HB2 LEU A 49 6.087 27.063 2.549 1.00 0.00 H new ATOM 0 HB3 LEU A 49 4.445 27.353 2.012 1.00 0.00 H new ATOM 0 HG LEU A 49 5.202 26.579 -0.329 1.00 0.00 H new ATOM 0 HD11 LEU A 49 7.238 25.166 -0.370 1.00 0.00 H new ATOM 0 HD12 LEU A 49 7.634 26.843 0.072 1.00 0.00 H new ATOM 0 HD13 LEU A 49 7.564 25.585 1.329 1.00 0.00 H new ATOM 0 HD21 LEU A 49 5.041 24.182 0.300 1.00 0.00 H new ATOM 0 HD22 LEU A 49 5.369 24.606 1.997 1.00 0.00 H new ATOM 0 HD23 LEU A 49 3.870 25.161 1.215 1.00 0.00 H new ATOM 770 N LEU A 50 6.500 29.892 3.095 1.00 0.00 N ATOM 771 CA LEU A 50 6.323 30.889 4.139 1.00 0.00 C ATOM 772 C LEU A 50 6.217 32.271 3.510 1.00 0.00 C ATOM 773 O LEU A 50 5.347 33.061 3.875 1.00 0.00 O ATOM 774 CB LEU A 50 7.525 30.851 5.091 1.00 0.00 C ATOM 775 CG LEU A 50 7.179 31.544 6.413 1.00 0.00 C ATOM 776 CD1 LEU A 50 8.344 31.368 7.393 1.00 0.00 C ATOM 777 CD2 LEU A 50 6.940 33.035 6.174 1.00 0.00 C ATOM 0 H LEU A 50 7.349 29.332 3.180 1.00 0.00 H new ATOM 0 HA LEU A 50 5.411 30.673 4.696 1.00 0.00 H new ATOM 0 HB2 LEU A 50 7.816 29.817 5.280 1.00 0.00 H new ATOM 0 HB3 LEU A 50 8.380 31.343 4.628 1.00 0.00 H new ATOM 0 HG LEU A 50 6.274 31.099 6.827 1.00 0.00 H new ATOM 0 HD11 LEU A 50 8.104 31.859 8.336 1.00 0.00 H new ATOM 0 HD12 LEU A 50 8.513 30.306 7.570 1.00 0.00 H new ATOM 0 HD13 LEU A 50 9.245 31.814 6.971 1.00 0.00 H new ATOM 0 HD21 LEU A 50 6.695 33.520 7.119 1.00 0.00 H new ATOM 0 HD22 LEU A 50 7.841 33.486 5.758 1.00 0.00 H new ATOM 0 HD23 LEU A 50 6.114 33.164 5.475 1.00 0.00 H new ATOM 789 N HIS A 51 7.099 32.550 2.555 1.00 0.00 N ATOM 790 CA HIS A 51 7.095 33.835 1.873 1.00 0.00 C ATOM 791 C HIS A 51 5.768 34.081 1.165 1.00 0.00 C ATOM 792 O HIS A 51 5.183 35.155 1.296 1.00 0.00 O ATOM 793 CB HIS A 51 8.237 33.881 0.859 1.00 0.00 C ATOM 794 CG HIS A 51 9.549 33.946 1.593 1.00 0.00 C ATOM 795 ND1 HIS A 51 10.746 34.232 0.952 1.00 0.00 N ATOM 796 CD2 HIS A 51 9.866 33.770 2.916 1.00 0.00 C ATOM 797 CE1 HIS A 51 11.717 34.222 1.885 1.00 0.00 C ATOM 798 NE2 HIS A 51 11.234 33.946 3.099 1.00 0.00 N ATOM 0 H HIS A 51 7.822 31.904 2.238 1.00 0.00 H new ATOM 0 HA HIS A 51 7.231 34.618 2.619 1.00 0.00 H new ATOM 0 HB2 HIS A 51 8.208 32.998 0.220 1.00 0.00 H new ATOM 0 HB3 HIS A 51 8.127 34.749 0.209 1.00 0.00 H new ATOM 0 HD2 HIS A 51 9.160 33.531 3.698 1.00 0.00 H new ATOM 0 HE1 HIS A 51 12.759 34.414 1.677 1.00 0.00 H new ATOM 0 HE2 HIS A 51 11.756 33.879 3.973 1.00 0.00 H new ATOM 807 N LYS A 52 5.286 33.087 0.420 1.00 0.00 N ATOM 808 CA LYS A 52 4.018 33.248 -0.285 1.00 0.00 C ATOM 809 C LYS A 52 2.891 33.482 0.714 1.00 0.00 C ATOM 810 O LYS A 52 2.100 34.412 0.560 1.00 0.00 O ATOM 811 CB LYS A 52 3.720 32.013 -1.141 1.00 0.00 C ATOM 812 CG LYS A 52 4.692 31.981 -2.322 1.00 0.00 C ATOM 813 CD LYS A 52 4.353 30.803 -3.238 1.00 0.00 C ATOM 814 CE LYS A 52 3.057 31.099 -3.993 1.00 0.00 C ATOM 815 NZ LYS A 52 1.949 30.288 -3.417 1.00 0.00 N1+ ATOM 0 H LYS A 52 5.742 32.184 0.291 1.00 0.00 H new ATOM 0 HA LYS A 52 4.092 34.114 -0.943 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.823 31.107 -0.544 1.00 0.00 H new ATOM 0 HB3 LYS A 52 2.691 32.043 -1.500 1.00 0.00 H new ATOM 0 HG2 LYS A 52 4.633 32.916 -2.879 1.00 0.00 H new ATOM 0 HG3 LYS A 52 5.716 31.890 -1.960 1.00 0.00 H new ATOM 0 HD2 LYS A 52 5.166 30.632 -3.943 1.00 0.00 H new ATOM 0 HD3 LYS A 52 4.244 29.892 -2.650 1.00 0.00 H new ATOM 0 HE2 LYS A 52 2.818 32.160 -3.925 1.00 0.00 H new ATOM 0 HE3 LYS A 52 3.179 30.867 -5.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 1.044 30.776 -3.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 1.925 29.356 -3.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 2.103 30.165 -2.396 1.00 0.00 H new ATOM 829 N TRP A 53 2.838 32.650 1.750 1.00 0.00 N ATOM 830 CA TRP A 53 1.817 32.792 2.783 1.00 0.00 C ATOM 831 C TRP A 53 1.895 34.192 3.381 1.00 0.00 C ATOM 832 O TRP A 53 0.902 34.922 3.437 1.00 0.00 O ATOM 833 CB TRP A 53 2.074 31.741 3.870 1.00 0.00 C ATOM 834 CG TRP A 53 0.953 31.702 4.861 1.00 0.00 C ATOM 835 CD1 TRP A 53 -0.112 30.870 4.798 1.00 0.00 C ATOM 836 CD2 TRP A 53 0.782 32.494 6.074 1.00 0.00 C ATOM 837 NE1 TRP A 53 -0.923 31.098 5.896 1.00 0.00 N ATOM 838 CE2 TRP A 53 -0.416 32.089 6.710 1.00 0.00 C ATOM 839 CE3 TRP A 53 1.544 33.511 6.679 1.00 0.00 C ATOM 840 CZ2 TRP A 53 -0.844 32.673 7.904 1.00 0.00 C ATOM 841 CZ3 TRP A 53 1.114 34.102 7.879 1.00 0.00 C ATOM 842 CH2 TRP A 53 -0.075 33.683 8.490 1.00 0.00 C ATOM 0 H TRP A 53 3.485 31.875 1.896 1.00 0.00 H new ATOM 0 HA TRP A 53 0.824 32.645 2.358 1.00 0.00 H new ATOM 0 HB2 TRP A 53 2.191 30.760 3.410 1.00 0.00 H new ATOM 0 HB3 TRP A 53 3.009 31.966 4.383 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -0.299 30.146 4.018 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -1.790 30.594 6.081 1.00 0.00 H new ATOM 0 HE3 TRP A 53 2.464 33.839 6.218 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -1.762 32.347 8.371 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 1.704 34.884 8.333 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -0.398 34.140 9.414 1.00 0.00 H new ATOM 853 N LEU A 54 3.093 34.558 3.818 1.00 0.00 N ATOM 854 CA LEU A 54 3.316 35.870 4.408 1.00 0.00 C ATOM 855 C LEU A 54 2.904 36.962 3.427 1.00 0.00 C ATOM 856 O LEU A 54 2.127 37.853 3.764 1.00 0.00 O ATOM 857 CB LEU A 54 4.799 36.037 4.747 1.00 0.00 C ATOM 858 CG LEU A 54 5.005 37.338 5.520 1.00 0.00 C ATOM 859 CD1 LEU A 54 4.524 37.159 6.962 1.00 0.00 C ATOM 860 CD2 LEU A 54 6.492 37.705 5.519 1.00 0.00 C ATOM 0 H LEU A 54 3.923 33.966 3.775 1.00 0.00 H new ATOM 0 HA LEU A 54 2.718 35.953 5.315 1.00 0.00 H new ATOM 0 HB2 LEU A 54 5.144 35.191 5.341 1.00 0.00 H new ATOM 0 HB3 LEU A 54 5.392 36.048 3.833 1.00 0.00 H new ATOM 0 HG LEU A 54 4.434 38.135 5.044 1.00 0.00 H new ATOM 0 HD11 LEU A 54 4.671 38.088 7.513 1.00 0.00 H new ATOM 0 HD12 LEU A 54 3.465 36.901 6.963 1.00 0.00 H new ATOM 0 HD13 LEU A 54 5.093 36.360 7.439 1.00 0.00 H new ATOM 0 HD21 LEU A 54 6.638 38.634 6.071 1.00 0.00 H new ATOM 0 HD22 LEU A 54 7.064 36.907 5.993 1.00 0.00 H new ATOM 0 HD23 LEU A 54 6.834 37.836 4.492 1.00 0.00 H new ATOM 872 N ASP A 55 3.438 36.885 2.211 1.00 0.00 N ATOM 873 CA ASP A 55 3.130 37.872 1.185 1.00 0.00 C ATOM 874 C ASP A 55 1.628 37.972 0.951 1.00 0.00 C ATOM 875 O ASP A 55 1.091 39.066 0.783 1.00 0.00 O ATOM 876 CB ASP A 55 3.822 37.492 -0.122 1.00 0.00 C ATOM 877 CG ASP A 55 5.333 37.537 0.061 1.00 0.00 C ATOM 878 OD1 ASP A 55 5.772 38.088 1.057 1.00 0.00 O1- ATOM 879 OD2 ASP A 55 6.031 37.018 -0.794 1.00 0.00 O ATOM 0 H ASP A 55 4.083 36.152 1.915 1.00 0.00 H new ATOM 0 HA ASP A 55 3.492 38.841 1.529 1.00 0.00 H new ATOM 0 HB2 ASP A 55 3.514 36.493 -0.430 1.00 0.00 H new ATOM 0 HB3 ASP A 55 3.522 38.177 -0.915 1.00 0.00 H new ATOM 884 N ARG A 56 0.954 36.827 0.932 1.00 0.00 N ATOM 885 CA ARG A 56 -0.487 36.793 0.710 1.00 0.00 C ATOM 886 C ARG A 56 -1.232 37.573 1.788 1.00 0.00 C ATOM 887 O ARG A 56 -2.272 38.173 1.519 1.00 0.00 O ATOM 888 CB ARG A 56 -0.971 35.340 0.700 1.00 0.00 C ATOM 889 CG ARG A 56 -2.454 35.294 0.327 1.00 0.00 C ATOM 890 CD ARG A 56 -2.859 33.849 0.029 1.00 0.00 C ATOM 891 NE ARG A 56 -2.940 33.081 1.265 1.00 0.00 N ATOM 892 CZ ARG A 56 -4.100 32.910 1.887 1.00 0.00 C ATOM 893 NH1 ARG A 56 -5.181 33.469 1.415 1.00 0.00 N ATOM 894 NH2 ARG A 56 -4.157 32.199 2.979 1.00 0.00 N1+ ATOM 0 H ARG A 56 1.382 35.911 1.068 1.00 0.00 H new ATOM 0 HA ARG A 56 -0.694 37.260 -0.253 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -0.388 34.757 -0.013 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -0.818 34.889 1.680 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -3.058 35.692 1.143 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -2.641 35.923 -0.544 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -3.822 33.832 -0.481 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -2.133 33.392 -0.644 1.00 0.00 H new ATOM 0 HE ARG A 56 -2.093 32.669 1.658 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -5.134 34.037 0.569 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -6.073 33.338 1.892 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -3.310 31.774 3.356 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -5.049 32.068 3.456 1.00 0.00 H new ATOM 908 N HIS A 57 -0.705 37.559 3.008 1.00 0.00 N ATOM 909 CA HIS A 57 -1.352 38.271 4.104 1.00 0.00 C ATOM 910 C HIS A 57 -0.486 39.420 4.612 1.00 0.00 C ATOM 911 O HIS A 57 -0.666 39.889 5.732 1.00 0.00 O ATOM 912 CB HIS A 57 -1.659 37.311 5.253 1.00 0.00 C ATOM 913 CG HIS A 57 -2.674 36.299 4.798 1.00 0.00 C ATOM 914 ND1 HIS A 57 -3.903 36.671 4.276 1.00 0.00 N ATOM 915 CD2 HIS A 57 -2.660 34.928 4.788 1.00 0.00 C ATOM 916 CE1 HIS A 57 -4.573 35.543 3.978 1.00 0.00 C ATOM 917 NE2 HIS A 57 -3.860 34.451 4.270 1.00 0.00 N ATOM 0 H HIS A 57 0.154 37.071 3.261 1.00 0.00 H new ATOM 0 HA HIS A 57 -2.283 38.689 3.721 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -0.747 36.809 5.576 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -2.039 37.864 6.112 1.00 0.00 H new ATOM 0 HD1 HIS A 57 -4.238 37.625 4.142 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -1.842 34.312 5.130 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -5.566 35.522 3.554 1.00 0.00 H new ATOM 926 N ARG A 58 0.438 39.879 3.779 1.00 0.00 N ATOM 927 CA ARG A 58 1.312 40.989 4.151 1.00 0.00 C ATOM 928 C ARG A 58 0.486 42.186 4.615 1.00 0.00 C ATOM 929 O ARG A 58 0.892 42.931 5.505 1.00 0.00 O ATOM 930 CB ARG A 58 2.161 41.393 2.949 1.00 0.00 C ATOM 931 CG ARG A 58 1.243 41.900 1.837 1.00 0.00 C ATOM 932 CD ARG A 58 2.015 41.954 0.518 1.00 0.00 C ATOM 933 NE ARG A 58 3.232 42.742 0.673 1.00 0.00 N ATOM 934 CZ ARG A 58 4.217 42.662 -0.214 1.00 0.00 C ATOM 935 NH1 ARG A 58 4.109 41.862 -1.240 1.00 0.00 N ATOM 936 NH2 ARG A 58 5.294 43.385 -0.061 1.00 0.00 N1+ ATOM 0 H ARG A 58 0.603 39.504 2.845 1.00 0.00 H new ATOM 0 HA ARG A 58 1.958 40.669 4.969 1.00 0.00 H new ATOM 0 HB2 ARG A 58 2.871 42.169 3.234 1.00 0.00 H new ATOM 0 HB3 ARG A 58 2.744 40.542 2.597 1.00 0.00 H new ATOM 0 HG2 ARG A 58 0.379 41.243 1.737 1.00 0.00 H new ATOM 0 HG3 ARG A 58 0.863 42.890 2.088 1.00 0.00 H new ATOM 0 HD2 ARG A 58 2.267 40.944 0.195 1.00 0.00 H new ATOM 0 HD3 ARG A 58 1.388 42.390 -0.260 1.00 0.00 H new ATOM 0 HE ARG A 58 3.328 43.364 1.475 1.00 0.00 H new ATOM 0 HH11 ARG A 58 3.268 41.298 -1.361 1.00 0.00 H new ATOM 0 HH12 ARG A 58 4.866 41.801 -1.921 1.00 0.00 H new ATOM 0 HH21 ARG A 58 5.378 44.011 0.740 1.00 0.00 H new ATOM 0 HH22 ARG A 58 6.051 43.324 -0.742 1.00 0.00 H new ATOM 950 N ASP A 59 -0.675 42.352 3.996 1.00 0.00 N ATOM 951 CA ASP A 59 -1.571 43.455 4.334 1.00 0.00 C ATOM 952 C ASP A 59 -1.939 43.404 5.813 1.00 0.00 C ATOM 953 O ASP A 59 -2.218 44.429 6.435 1.00 0.00 O ATOM 954 CB ASP A 59 -2.842 43.374 3.487 1.00 0.00 C ATOM 955 CG ASP A 59 -3.652 44.658 3.638 1.00 0.00 C ATOM 956 OD1 ASP A 59 -3.233 45.517 4.397 1.00 0.00 O1- ATOM 957 OD2 ASP A 59 -4.682 44.763 2.992 1.00 0.00 O ATOM 0 H ASP A 59 -1.020 41.739 3.258 1.00 0.00 H new ATOM 0 HA ASP A 59 -1.059 44.395 4.128 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -2.582 43.219 2.440 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -3.441 42.518 3.796 1.00 0.00 H new ATOM 962 N MET A 60 -1.947 42.197 6.360 1.00 0.00 N ATOM 963 CA MET A 60 -2.291 41.997 7.762 1.00 0.00 C ATOM 964 C MET A 60 -1.333 42.758 8.682 1.00 0.00 C ATOM 965 O MET A 60 -1.694 43.123 9.797 1.00 0.00 O ATOM 966 CB MET A 60 -2.238 40.503 8.095 1.00 0.00 C ATOM 967 CG MET A 60 -0.788 40.090 8.372 1.00 0.00 C ATOM 968 SD MET A 60 -0.611 38.307 8.107 1.00 0.00 S ATOM 969 CE MET A 60 1.196 38.255 8.056 1.00 0.00 C ATOM 0 H MET A 60 -1.719 41.341 5.855 1.00 0.00 H new ATOM 0 HA MET A 60 -3.299 42.380 7.923 1.00 0.00 H new ATOM 0 HB2 MET A 60 -2.860 40.292 8.965 1.00 0.00 H new ATOM 0 HB3 MET A 60 -2.641 39.921 7.266 1.00 0.00 H new ATOM 0 HG2 MET A 60 -0.111 40.636 7.715 1.00 0.00 H new ATOM 0 HG3 MET A 60 -0.514 40.346 9.396 1.00 0.00 H new ATOM 0 HE1 MET A 60 1.535 37.232 8.219 1.00 0.00 H new ATOM 0 HE2 MET A 60 1.543 38.601 7.082 1.00 0.00 H new ATOM 0 HE3 MET A 60 1.601 38.900 8.836 1.00 0.00 H new ATOM 979 N CYS A 61 -0.109 42.975 8.211 1.00 0.00 N ATOM 980 CA CYS A 61 0.913 43.663 9.004 1.00 0.00 C ATOM 981 C CYS A 61 0.521 45.099 9.353 1.00 0.00 C ATOM 982 O CYS A 61 0.965 45.634 10.369 1.00 0.00 O ATOM 983 CB CYS A 61 2.233 43.679 8.232 1.00 0.00 C ATOM 984 SG CYS A 61 2.123 44.868 6.872 1.00 0.00 S ATOM 0 H CYS A 61 0.203 42.685 7.284 1.00 0.00 H new ATOM 0 HA CYS A 61 1.017 43.114 9.940 1.00 0.00 H new ATOM 0 HB2 CYS A 61 3.053 43.947 8.898 1.00 0.00 H new ATOM 0 HB3 CYS A 61 2.451 42.684 7.843 1.00 0.00 H new ATOM 0 HG CYS A 61 1.643 44.278 5.818 1.00 0.00 H new ATOM 990 N GLU A 62 -0.282 45.727 8.508 1.00 0.00 N ATOM 991 CA GLU A 62 -0.690 47.109 8.750 1.00 0.00 C ATOM 992 C GLU A 62 -1.716 47.200 9.877 1.00 0.00 C ATOM 993 O GLU A 62 -2.027 48.291 10.354 1.00 0.00 O ATOM 994 CB GLU A 62 -1.268 47.716 7.471 1.00 0.00 C ATOM 995 CG GLU A 62 -0.188 47.730 6.388 1.00 0.00 C ATOM 996 CD GLU A 62 1.047 48.472 6.893 1.00 0.00 C ATOM 997 OE1 GLU A 62 0.906 49.618 7.285 1.00 0.00 O ATOM 998 OE2 GLU A 62 2.115 47.879 6.886 1.00 0.00 O1- ATOM 0 H GLU A 62 -0.662 45.311 7.658 1.00 0.00 H new ATOM 0 HA GLU A 62 0.194 47.670 9.053 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -2.128 47.137 7.136 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -1.621 48.729 7.662 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.078 46.709 6.114 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -0.570 48.212 5.488 1.00 0.00 H new ATOM 1005 N LYS A 63 -2.255 46.058 10.287 1.00 0.00 N ATOM 1006 CA LYS A 63 -3.259 46.036 11.345 1.00 0.00 C ATOM 1007 C LYS A 63 -2.617 45.994 12.735 1.00 0.00 C ATOM 1008 O LYS A 63 -3.279 45.662 13.717 1.00 0.00 O ATOM 1009 CB LYS A 63 -4.150 44.810 11.165 1.00 0.00 C ATOM 1010 CG LYS A 63 -4.733 44.819 9.750 1.00 0.00 C ATOM 1011 CD LYS A 63 -5.542 43.544 9.523 1.00 0.00 C ATOM 1012 CE LYS A 63 -6.717 43.504 10.500 1.00 0.00 C ATOM 1013 NZ LYS A 63 -6.330 42.702 11.694 1.00 0.00 N1+ ATOM 0 H LYS A 63 -2.017 45.142 9.907 1.00 0.00 H new ATOM 0 HA LYS A 63 -3.847 46.951 11.273 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -3.574 43.899 11.329 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -4.953 44.817 11.903 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -5.368 45.694 9.613 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -3.931 44.889 9.015 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.908 43.511 8.497 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -4.908 42.669 9.664 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -6.992 44.515 10.799 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -7.591 43.065 10.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -6.918 41.845 11.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -5.329 42.431 11.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -6.473 43.269 12.554 1.00 0.00 H new ATOM 1027 N TRP A 64 -1.339 46.359 12.821 1.00 0.00 N ATOM 1028 CA TRP A 64 -0.651 46.378 14.114 1.00 0.00 C ATOM 1029 C TRP A 64 0.698 47.088 14.016 1.00 0.00 C ATOM 1030 O TRP A 64 1.044 47.899 14.875 1.00 0.00 O ATOM 1031 CB TRP A 64 -0.442 44.956 14.644 1.00 0.00 C ATOM 1032 CG TRP A 64 -0.743 43.960 13.574 1.00 0.00 C ATOM 1033 CD1 TRP A 64 -0.029 43.808 12.438 1.00 0.00 C ATOM 1034 CD2 TRP A 64 -1.813 42.972 13.521 1.00 0.00 C ATOM 1035 NE1 TRP A 64 -0.589 42.788 11.692 1.00 0.00 N ATOM 1036 CE2 TRP A 64 -1.692 42.244 12.315 1.00 0.00 C ATOM 1037 CE3 TRP A 64 -2.865 42.638 14.392 1.00 0.00 C ATOM 1038 CZ2 TRP A 64 -2.582 41.225 11.983 1.00 0.00 C ATOM 1039 CZ3 TRP A 64 -3.764 41.611 14.059 1.00 0.00 C ATOM 1040 CH2 TRP A 64 -3.621 40.906 12.857 1.00 0.00 C ATOM 0 H TRP A 64 -0.765 46.641 12.026 1.00 0.00 H new ATOM 0 HA TRP A 64 -1.286 46.928 14.808 1.00 0.00 H new ATOM 0 HB2 TRP A 64 0.586 44.834 14.986 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -1.087 44.782 15.505 1.00 0.00 H new ATOM 0 HD1 TRP A 64 0.838 44.388 12.158 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -0.230 42.476 10.790 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -2.983 43.174 15.322 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -2.468 40.685 11.054 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -4.570 41.364 14.734 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -4.314 40.116 12.607 1.00 0.00 H new ATOM 1051 N LYS A 65 1.459 46.767 12.974 1.00 0.00 N ATOM 1052 CA LYS A 65 2.775 47.368 12.778 1.00 0.00 C ATOM 1053 C LYS A 65 3.764 46.841 13.816 1.00 0.00 C ATOM 1054 O LYS A 65 4.977 46.930 13.631 1.00 0.00 O ATOM 1055 CB LYS A 65 2.680 48.896 12.873 1.00 0.00 C ATOM 1056 CG LYS A 65 3.983 49.521 12.363 1.00 0.00 C ATOM 1057 CD LYS A 65 3.803 51.034 12.201 1.00 0.00 C ATOM 1058 CE LYS A 65 3.761 51.704 13.576 1.00 0.00 C ATOM 1059 NZ LYS A 65 4.065 53.156 13.426 1.00 0.00 N1+ ATOM 0 H LYS A 65 1.189 46.097 12.254 1.00 0.00 H new ATOM 0 HA LYS A 65 3.133 47.096 11.785 1.00 0.00 H new ATOM 0 HB2 LYS A 65 1.836 49.256 12.284 1.00 0.00 H new ATOM 0 HB3 LYS A 65 2.499 49.196 13.905 1.00 0.00 H new ATOM 0 HG2 LYS A 65 4.794 49.315 13.061 1.00 0.00 H new ATOM 0 HG3 LYS A 65 4.262 49.074 11.409 1.00 0.00 H new ATOM 0 HD2 LYS A 65 4.622 51.445 11.611 1.00 0.00 H new ATOM 0 HD3 LYS A 65 2.882 51.243 11.657 1.00 0.00 H new ATOM 0 HE2 LYS A 65 2.778 51.571 14.028 1.00 0.00 H new ATOM 0 HE3 LYS A 65 4.485 51.236 14.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 4.037 53.615 14.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 5.012 53.271 13.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 3.358 53.596 12.803 1.00 0.00 H new ATOM 1073 N SER A 66 3.238 46.288 14.909 1.00 0.00 N ATOM 1074 CA SER A 66 4.093 45.749 15.965 1.00 0.00 C ATOM 1075 C SER A 66 4.428 44.282 15.704 1.00 0.00 C ATOM 1076 O SER A 66 3.575 43.493 15.284 1.00 0.00 O ATOM 1077 CB SER A 66 3.406 45.890 17.321 1.00 0.00 C ATOM 1078 OG SER A 66 2.258 45.056 17.357 1.00 0.00 O ATOM 0 H SER A 66 2.237 46.202 15.085 1.00 0.00 H new ATOM 0 HA SER A 66 5.023 46.318 15.971 1.00 0.00 H new ATOM 0 HB2 SER A 66 4.094 45.615 18.120 1.00 0.00 H new ATOM 0 HB3 SER A 66 3.120 46.928 17.490 1.00 0.00 H new ATOM 0 HG SER A 66 1.554 45.491 17.882 1.00 0.00 H new ATOM 1084 N LYS A 67 5.688 43.935 15.951 1.00 0.00 N ATOM 1085 CA LYS A 67 6.169 42.575 15.734 1.00 0.00 C ATOM 1086 C LYS A 67 5.530 41.555 16.670 1.00 0.00 C ATOM 1087 O LYS A 67 5.053 40.519 16.222 1.00 0.00 O ATOM 1088 CB LYS A 67 7.684 42.525 15.933 1.00 0.00 C ATOM 1089 CG LYS A 67 8.169 41.079 15.799 1.00 0.00 C ATOM 1090 CD LYS A 67 9.679 41.021 16.028 1.00 0.00 C ATOM 1091 CE LYS A 67 10.165 39.576 15.905 1.00 0.00 C ATOM 1092 NZ LYS A 67 9.982 38.874 17.207 1.00 0.00 N1+ ATOM 0 H LYS A 67 6.396 44.580 16.303 1.00 0.00 H new ATOM 0 HA LYS A 67 5.892 42.311 14.713 1.00 0.00 H new ATOM 0 HB2 LYS A 67 8.179 43.156 15.195 1.00 0.00 H new ATOM 0 HB3 LYS A 67 7.946 42.918 16.915 1.00 0.00 H new ATOM 0 HG2 LYS A 67 7.657 40.445 16.522 1.00 0.00 H new ATOM 0 HG3 LYS A 67 7.926 40.694 14.809 1.00 0.00 H new ATOM 0 HD2 LYS A 67 10.191 41.650 15.300 1.00 0.00 H new ATOM 0 HD3 LYS A 67 9.922 41.414 17.015 1.00 0.00 H new ATOM 0 HE2 LYS A 67 9.610 39.061 15.121 1.00 0.00 H new ATOM 0 HE3 LYS A 67 11.216 39.559 15.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 9.797 37.865 17.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 10.844 38.975 17.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 9.177 39.291 17.716 1.00 0.00 H new ATOM 1106 N GLU A 68 5.556 41.826 17.968 1.00 0.00 N ATOM 1107 CA GLU A 68 5.018 40.875 18.935 1.00 0.00 C ATOM 1108 C GLU A 68 3.539 40.598 18.698 1.00 0.00 C ATOM 1109 O GLU A 68 3.087 39.460 18.846 1.00 0.00 O ATOM 1110 CB GLU A 68 5.229 41.393 20.360 1.00 0.00 C ATOM 1111 CG GLU A 68 6.730 41.517 20.642 1.00 0.00 C ATOM 1112 CD GLU A 68 6.961 41.851 22.112 1.00 0.00 C ATOM 1113 OE1 GLU A 68 5.994 42.171 22.783 1.00 0.00 O ATOM 1114 OE2 GLU A 68 8.099 41.777 22.546 1.00 0.00 O1- ATOM 0 H GLU A 68 5.937 42.681 18.372 1.00 0.00 H new ATOM 0 HA GLU A 68 5.557 39.937 18.804 1.00 0.00 H new ATOM 0 HB2 GLU A 68 4.744 42.362 20.482 1.00 0.00 H new ATOM 0 HB3 GLU A 68 4.768 40.714 21.077 1.00 0.00 H new ATOM 0 HG2 GLU A 68 7.234 40.584 20.390 1.00 0.00 H new ATOM 0 HG3 GLU A 68 7.163 42.294 20.012 1.00 0.00 H new ATOM 1121 N ASP A 69 2.783 41.619 18.321 1.00 0.00 N ATOM 1122 CA ASP A 69 1.364 41.414 18.071 1.00 0.00 C ATOM 1123 C ASP A 69 1.181 40.474 16.889 1.00 0.00 C ATOM 1124 O ASP A 69 0.395 39.527 16.945 1.00 0.00 O ATOM 1125 CB ASP A 69 0.664 42.741 17.779 1.00 0.00 C ATOM 1126 CG ASP A 69 0.728 43.648 19.004 1.00 0.00 C ATOM 1127 OD1 ASP A 69 1.064 43.153 20.068 1.00 0.00 O1- ATOM 1128 OD2 ASP A 69 0.441 44.825 18.861 1.00 0.00 O ATOM 0 H ASP A 69 3.116 42.573 18.184 1.00 0.00 H new ATOM 0 HA ASP A 69 0.919 40.975 18.964 1.00 0.00 H new ATOM 0 HB2 ASP A 69 1.138 43.231 16.929 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -0.375 42.560 17.505 1.00 0.00 H new ATOM 1133 N ILE A 70 1.909 40.744 15.811 1.00 0.00 N ATOM 1134 CA ILE A 70 1.801 39.910 14.622 1.00 0.00 C ATOM 1135 C ILE A 70 2.175 38.465 14.936 1.00 0.00 C ATOM 1136 O ILE A 70 1.493 37.541 14.504 1.00 0.00 O ATOM 1137 CB ILE A 70 2.697 40.456 13.508 1.00 0.00 C ATOM 1138 CG1 ILE A 70 2.228 41.865 13.152 1.00 0.00 C ATOM 1139 CG2 ILE A 70 2.582 39.563 12.269 1.00 0.00 C ATOM 1140 CD1 ILE A 70 3.275 42.557 12.279 1.00 0.00 C ATOM 0 H ILE A 70 2.568 41.519 15.736 1.00 0.00 H new ATOM 0 HA ILE A 70 0.765 39.931 14.285 1.00 0.00 H new ATOM 0 HB ILE A 70 3.734 40.474 13.845 1.00 0.00 H new ATOM 0 HG12 ILE A 70 1.275 41.818 12.624 1.00 0.00 H new ATOM 0 HG13 ILE A 70 2.061 42.443 14.061 1.00 0.00 H new ATOM 0 HG21 ILE A 70 3.221 39.955 11.478 1.00 0.00 H new ATOM 0 HG22 ILE A 70 2.895 38.550 12.520 1.00 0.00 H new ATOM 0 HG23 ILE A 70 1.548 39.548 11.926 1.00 0.00 H new ATOM 0 HD11 ILE A 70 2.934 43.562 12.029 1.00 0.00 H new ATOM 0 HD12 ILE A 70 4.218 42.619 12.822 1.00 0.00 H new ATOM 0 HD13 ILE A 70 3.421 41.985 11.363 1.00 0.00 H new ATOM 1152 N LEU A 71 3.251 38.271 15.694 1.00 0.00 N ATOM 1153 CA LEU A 71 3.680 36.922 16.044 1.00 0.00 C ATOM 1154 C LEU A 71 2.535 36.146 16.677 1.00 0.00 C ATOM 1155 O LEU A 71 2.328 34.969 16.375 1.00 0.00 O ATOM 1156 CB LEU A 71 4.853 36.974 17.026 1.00 0.00 C ATOM 1157 CG LEU A 71 6.081 37.590 16.350 1.00 0.00 C ATOM 1158 CD1 LEU A 71 7.258 37.586 17.326 1.00 0.00 C ATOM 1159 CD2 LEU A 71 6.452 36.770 15.115 1.00 0.00 C ATOM 0 H LEU A 71 3.833 39.018 16.072 1.00 0.00 H new ATOM 0 HA LEU A 71 3.994 36.420 15.129 1.00 0.00 H new ATOM 0 HB2 LEU A 71 4.578 37.562 17.902 1.00 0.00 H new ATOM 0 HB3 LEU A 71 5.088 35.969 17.377 1.00 0.00 H new ATOM 0 HG LEU A 71 5.852 38.614 16.055 1.00 0.00 H new ATOM 0 HD11 LEU A 71 8.132 38.025 16.844 1.00 0.00 H new ATOM 0 HD12 LEU A 71 7.000 38.169 18.210 1.00 0.00 H new ATOM 0 HD13 LEU A 71 7.483 36.561 17.621 1.00 0.00 H new ATOM 0 HD21 LEU A 71 7.326 37.210 14.635 1.00 0.00 H new ATOM 0 HD22 LEU A 71 6.678 35.746 15.413 1.00 0.00 H new ATOM 0 HD23 LEU A 71 5.616 36.768 14.415 1.00 0.00 H new ATOM 1171 N HIS A 72 1.794 36.807 17.554 1.00 0.00 N ATOM 1172 CA HIS A 72 0.670 36.162 18.223 1.00 0.00 C ATOM 1173 C HIS A 72 -0.350 35.672 17.199 1.00 0.00 C ATOM 1174 O HIS A 72 -0.859 34.555 17.298 1.00 0.00 O ATOM 1175 CB HIS A 72 0.001 37.147 19.182 1.00 0.00 C ATOM 1176 CG HIS A 72 -1.148 36.473 19.883 1.00 0.00 C ATOM 1177 ND1 HIS A 72 -2.335 36.166 19.235 1.00 0.00 N ATOM 1178 CD2 HIS A 72 -1.304 36.040 21.176 1.00 0.00 C ATOM 1179 CE1 HIS A 72 -3.146 35.577 20.133 1.00 0.00 C ATOM 1180 NE2 HIS A 72 -2.566 35.476 21.332 1.00 0.00 N ATOM 0 H HIS A 72 1.947 37.780 17.818 1.00 0.00 H new ATOM 0 HA HIS A 72 1.045 35.306 18.785 1.00 0.00 H new ATOM 0 HB2 HIS A 72 0.725 37.506 19.913 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -0.356 38.018 18.633 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -0.560 36.124 21.954 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -4.144 35.229 19.911 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -2.963 35.072 22.180 1.00 0.00 H new ATOM 1189 N LYS A 73 -0.645 36.514 16.215 1.00 0.00 N ATOM 1190 CA LYS A 73 -1.609 36.151 15.177 1.00 0.00 C ATOM 1191 C LYS A 73 -1.102 34.969 14.347 1.00 0.00 C ATOM 1192 O LYS A 73 -1.821 33.989 14.154 1.00 0.00 O ATOM 1193 CB LYS A 73 -1.877 37.351 14.267 1.00 0.00 C ATOM 1194 CG LYS A 73 -2.858 38.319 14.947 1.00 0.00 C ATOM 1195 CD LYS A 73 -2.546 38.427 16.443 1.00 0.00 C ATOM 1196 CE LYS A 73 -3.261 39.641 17.032 1.00 0.00 C ATOM 1197 NZ LYS A 73 -3.166 39.588 18.518 1.00 0.00 N1+ ATOM 0 H LYS A 73 -0.237 37.443 16.112 1.00 0.00 H new ATOM 0 HA LYS A 73 -2.538 35.854 15.664 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -0.942 37.865 14.045 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -2.288 37.012 13.316 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -2.790 39.303 14.482 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -3.881 37.970 14.806 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -2.865 37.520 16.957 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -1.470 38.518 16.594 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -2.810 40.561 16.659 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -4.306 39.649 16.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -3.651 40.412 18.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -3.615 38.716 18.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -2.166 39.599 18.803 1.00 0.00 H new ATOM 1211 N LEU A 74 0.128 35.065 13.851 1.00 0.00 N ATOM 1212 CA LEU A 74 0.686 33.983 13.043 1.00 0.00 C ATOM 1213 C LEU A 74 0.678 32.673 13.817 1.00 0.00 C ATOM 1214 O LEU A 74 0.379 31.620 13.253 1.00 0.00 O ATOM 1215 CB LEU A 74 2.112 34.313 12.595 1.00 0.00 C ATOM 1216 CG LEU A 74 2.067 35.201 11.350 1.00 0.00 C ATOM 1217 CD1 LEU A 74 1.070 36.341 11.559 1.00 0.00 C ATOM 1218 CD2 LEU A 74 3.460 35.776 11.086 1.00 0.00 C ATOM 0 H LEU A 74 0.748 35.863 13.990 1.00 0.00 H new ATOM 0 HA LEU A 74 0.059 33.873 12.158 1.00 0.00 H new ATOM 0 HB2 LEU A 74 2.647 34.821 13.397 1.00 0.00 H new ATOM 0 HB3 LEU A 74 2.658 33.394 12.379 1.00 0.00 H new ATOM 0 HG LEU A 74 1.750 34.605 10.494 1.00 0.00 H new ATOM 0 HD11 LEU A 74 1.043 36.969 10.668 1.00 0.00 H new ATOM 0 HD12 LEU A 74 0.078 35.928 11.741 1.00 0.00 H new ATOM 0 HD13 LEU A 74 1.377 36.940 12.416 1.00 0.00 H new ATOM 0 HD21 LEU A 74 3.430 36.409 10.199 1.00 0.00 H new ATOM 0 HD22 LEU A 74 3.778 36.368 11.944 1.00 0.00 H new ATOM 0 HD23 LEU A 74 4.166 34.961 10.926 1.00 0.00 H new ATOM 1230 N ASN A 75 0.989 32.736 15.107 1.00 0.00 N ATOM 1231 CA ASN A 75 0.990 31.530 15.923 1.00 0.00 C ATOM 1232 C ASN A 75 -0.390 30.882 15.875 1.00 0.00 C ATOM 1233 O ASN A 75 -0.520 29.674 15.674 1.00 0.00 O ATOM 1234 CB ASN A 75 1.333 31.877 17.375 1.00 0.00 C ATOM 1235 CG ASN A 75 2.700 32.550 17.450 1.00 0.00 C ATOM 1236 OD1 ASN A 75 3.463 32.523 16.485 1.00 0.00 O ATOM 1237 ND2 ASN A 75 3.058 33.155 18.552 1.00 0.00 N ATOM 0 H ASN A 75 1.239 33.592 15.602 1.00 0.00 H new ATOM 0 HA ASN A 75 1.737 30.839 15.533 1.00 0.00 H new ATOM 0 HB2 ASN A 75 0.571 32.539 17.788 1.00 0.00 H new ATOM 0 HB3 ASN A 75 1.332 30.972 17.982 1.00 0.00 H new ATOM 0 HD21 ASN A 75 3.971 33.606 18.613 1.00 0.00 H new ATOM 0 HD22 ASN A 75 2.424 33.176 19.351 1.00 0.00 H new ATOM 1244 N GLU A 76 -1.418 31.706 16.061 1.00 0.00 N ATOM 1245 CA GLU A 76 -2.797 31.228 16.044 1.00 0.00 C ATOM 1246 C GLU A 76 -3.173 30.681 14.670 1.00 0.00 C ATOM 1247 O GLU A 76 -3.837 29.650 14.562 1.00 0.00 O ATOM 1248 CB GLU A 76 -3.739 32.379 16.400 1.00 0.00 C ATOM 1249 CG GLU A 76 -5.166 31.851 16.551 1.00 0.00 C ATOM 1250 CD GLU A 76 -6.134 33.017 16.716 1.00 0.00 C ATOM 1251 OE1 GLU A 76 -5.680 34.149 16.674 1.00 0.00 O1- ATOM 1252 OE2 GLU A 76 -7.316 32.762 16.877 1.00 0.00 O ATOM 0 H GLU A 76 -1.322 32.708 16.225 1.00 0.00 H new ATOM 0 HA GLU A 76 -2.889 30.424 16.775 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -3.416 32.852 17.327 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -3.704 33.143 15.624 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -5.439 31.261 15.676 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -5.229 31.189 17.415 1.00 0.00 H new ATOM 1259 N GLN A 77 -2.749 31.380 13.623 1.00 0.00 N ATOM 1260 CA GLN A 77 -3.055 30.961 12.261 1.00 0.00 C ATOM 1261 C GLN A 77 -2.312 29.681 11.913 1.00 0.00 C ATOM 1262 O GLN A 77 -2.877 28.765 11.316 1.00 0.00 O ATOM 1263 CB GLN A 77 -2.649 32.063 11.288 1.00 0.00 C ATOM 1264 CG GLN A 77 -3.505 33.302 11.543 1.00 0.00 C ATOM 1265 CD GLN A 77 -3.045 34.446 10.648 1.00 0.00 C ATOM 1266 OE1 GLN A 77 -2.695 34.228 9.489 1.00 0.00 O ATOM 1267 NE2 GLN A 77 -3.019 35.660 11.124 1.00 0.00 N ATOM 0 H GLN A 77 -2.196 32.234 13.691 1.00 0.00 H new ATOM 0 HA GLN A 77 -4.126 30.774 12.186 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -1.593 32.304 11.413 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -2.778 31.723 10.261 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -4.553 33.076 11.349 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -3.431 33.596 12.590 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -3.310 35.837 12.085 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -2.708 36.432 10.535 1.00 0.00 H new ATOM 1276 N TRP A 78 -1.045 29.619 12.294 1.00 0.00 N ATOM 1277 CA TRP A 78 -0.241 28.440 12.019 1.00 0.00 C ATOM 1278 C TRP A 78 -0.917 27.197 12.587 1.00 0.00 C ATOM 1279 O TRP A 78 -1.001 26.162 11.924 1.00 0.00 O ATOM 1280 CB TRP A 78 1.139 28.607 12.652 1.00 0.00 C ATOM 1281 CG TRP A 78 2.177 28.005 11.764 1.00 0.00 C ATOM 1282 CD1 TRP A 78 2.277 26.690 11.462 1.00 0.00 C ATOM 1283 CD2 TRP A 78 3.265 28.672 11.065 1.00 0.00 C ATOM 1284 NE1 TRP A 78 3.359 26.510 10.619 1.00 0.00 N ATOM 1285 CE2 TRP A 78 3.998 27.703 10.345 1.00 0.00 C ATOM 1286 CE3 TRP A 78 3.681 30.014 10.982 1.00 0.00 C ATOM 1287 CZ2 TRP A 78 5.108 28.048 9.575 1.00 0.00 C ATOM 1288 CZ3 TRP A 78 4.798 30.364 10.208 1.00 0.00 C ATOM 1289 CH2 TRP A 78 5.509 29.383 9.505 1.00 0.00 C ATOM 0 H TRP A 78 -0.556 30.364 12.790 1.00 0.00 H new ATOM 0 HA TRP A 78 -0.138 28.324 10.940 1.00 0.00 H new ATOM 0 HB2 TRP A 78 1.351 29.664 12.811 1.00 0.00 H new ATOM 0 HB3 TRP A 78 1.161 28.127 13.630 1.00 0.00 H new ATOM 0 HD1 TRP A 78 1.621 25.910 11.820 1.00 0.00 H new ATOM 0 HE1 TRP A 78 3.649 25.606 10.245 1.00 0.00 H new ATOM 0 HE3 TRP A 78 3.138 30.779 11.517 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 5.654 27.287 9.036 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 5.111 31.396 10.154 1.00 0.00 H new ATOM 0 HH2 TRP A 78 6.367 29.659 8.909 1.00 0.00 H new ATOM 1300 N ASN A 79 -1.398 27.310 13.823 1.00 0.00 N ATOM 1301 CA ASN A 79 -2.068 26.195 14.483 1.00 0.00 C ATOM 1302 C ASN A 79 -3.383 25.857 13.784 1.00 0.00 C ATOM 1303 O ASN A 79 -3.713 24.686 13.592 1.00 0.00 O ATOM 1304 CB ASN A 79 -2.356 26.552 15.945 1.00 0.00 C ATOM 1305 CG ASN A 79 -1.052 26.786 16.699 1.00 0.00 C ATOM 1306 OD1 ASN A 79 0.076 26.785 16.047 1.00 0.00 O flip ATOM 1307 ND2 ASN A 79 -1.064 26.979 17.915 1.00 0.00 N flip ATOM 0 H ASN A 79 -1.336 28.159 14.385 1.00 0.00 H new ATOM 0 HA ASN A 79 -1.409 25.328 14.434 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -2.977 27.447 15.992 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -2.919 25.748 16.419 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -1.949 26.979 18.423 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -0.189 27.139 18.415 1.00 0.00 H new ATOM 1314 N LYS A 80 -4.137 26.892 13.420 1.00 0.00 N ATOM 1315 CA LYS A 80 -5.425 26.694 12.759 1.00 0.00 C ATOM 1316 C LYS A 80 -5.271 26.623 11.241 1.00 0.00 C ATOM 1317 O LYS A 80 -6.241 26.375 10.525 1.00 0.00 O ATOM 1318 CB LYS A 80 -6.374 27.840 13.118 1.00 0.00 C ATOM 1319 CG LYS A 80 -6.661 27.821 14.621 1.00 0.00 C ATOM 1320 CD LYS A 80 -7.725 28.873 14.947 1.00 0.00 C ATOM 1321 CE LYS A 80 -7.993 28.887 16.452 1.00 0.00 C ATOM 1322 NZ LYS A 80 -9.392 29.337 16.701 1.00 0.00 N1+ ATOM 0 H LYS A 80 -3.882 27.868 13.570 1.00 0.00 H new ATOM 0 HA LYS A 80 -5.835 25.746 13.106 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -5.930 28.795 12.835 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -7.305 27.743 12.559 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -7.006 26.832 14.924 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -5.748 28.026 15.180 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -7.390 29.857 14.619 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -8.645 28.653 14.406 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -7.840 27.892 16.869 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -7.290 29.554 16.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -9.576 29.347 17.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -9.522 30.294 16.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -10.055 28.684 16.236 1.00 0.00 H new ATOM 1336 N ASP A 81 -4.056 26.844 10.752 1.00 0.00 N ATOM 1337 CA ASP A 81 -3.807 26.803 9.316 1.00 0.00 C ATOM 1338 C ASP A 81 -4.572 25.652 8.670 1.00 0.00 C ATOM 1339 O ASP A 81 -5.016 24.781 9.398 1.00 0.00 O ATOM 1340 CB ASP A 81 -2.311 26.640 9.055 1.00 0.00 C ATOM 1341 CG ASP A 81 -1.836 25.287 9.574 1.00 0.00 C ATOM 1342 OD1 ASP A 81 -2.674 24.422 9.766 1.00 0.00 O1- ATOM 1343 OD2 ASP A 81 -0.641 25.135 9.767 1.00 0.00 O ATOM 1344 OXT ASP A 81 -4.705 25.662 7.457 1.00 0.00 O ATOM 0 H ASP A 81 -3.236 27.051 11.322 1.00 0.00 H new ATOM 0 HA ASP A 81 -4.152 27.739 8.877 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -2.109 26.721 7.987 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -1.758 27.441 9.545 1.00 0.00 H new TER 1349 ASP A 81