USER MOD reduce.3.24.130724 H: found=0, std=0, add=390, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 390 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 63:sc= 0.957 USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=-0.0013) USER MOD Single : A 30 LYS NZ :NH3+ 161:sc= -0.133 (180deg=-0.821) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ -119:sc= -1.05 (180deg=-2.67!) USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.256 USER MOD Single : A 48 ASN : amide:sc= -14.3! C(o=-14!,f=-16!) USER MOD Single : A 49 ASN : amide:sc= -12.1! K(o=-12!,f=-1.5) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0872) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0.117 USER MOD Single : A 57 SER OG : rot -39:sc= 0.949 USER MOD Single : A 58 THR OG1 : rot -160:sc= -0.283 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -1.15 K(o=-1.1,f=-3.4!) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 21 0.745 19.589 -5.164 1.00 0.00 N ATOM 2 CA LYS A 21 -0.172 18.401 -5.225 1.00 0.00 C ATOM 3 C LYS A 21 -0.394 18.090 -6.691 1.00 0.00 C ATOM 4 O LYS A 21 -0.397 16.963 -7.140 1.00 0.00 O ATOM 5 CB LYS A 21 -1.541 18.726 -4.584 1.00 0.00 C ATOM 6 CG LYS A 21 -1.481 18.713 -3.045 1.00 0.00 C ATOM 7 CD LYS A 21 -1.008 17.340 -2.525 1.00 0.00 C ATOM 8 CE LYS A 21 -1.576 17.086 -1.124 1.00 0.00 C ATOM 9 NZ LYS A 21 -0.817 15.982 -0.472 1.00 0.00 N ATOM 0 HA LYS A 21 0.271 17.564 -4.686 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -1.876 19.706 -4.924 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -2.280 18.001 -4.923 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -0.803 19.492 -2.697 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -2.465 18.942 -2.637 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -1.332 16.553 -3.206 1.00 0.00 H new ATOM 0 HD3 LYS A 21 0.081 17.308 -2.496 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -1.508 17.993 -0.523 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -2.632 16.826 -1.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -1.202 15.810 0.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -0.904 15.117 -1.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 0.186 16.248 -0.396 1.00 0.00 H new ATOM 23 N LEU A 22 -0.564 19.129 -7.407 1.00 0.00 N ATOM 24 CA LEU A 22 -0.789 19.084 -8.861 1.00 0.00 C ATOM 25 C LEU A 22 0.123 18.058 -9.546 1.00 0.00 C ATOM 26 O LEU A 22 -0.338 17.125 -10.160 1.00 0.00 O ATOM 27 CB LEU A 22 -0.409 20.482 -9.320 1.00 0.00 C ATOM 28 CG LEU A 22 -0.153 20.551 -10.830 1.00 0.00 C ATOM 29 CD1 LEU A 22 -1.326 19.924 -11.597 1.00 0.00 C ATOM 30 CD2 LEU A 22 0.001 22.018 -11.241 1.00 0.00 C ATOM 0 H LEU A 22 -0.557 20.075 -7.025 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.811 18.795 -9.106 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.206 21.177 -9.057 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.485 20.806 -8.787 1.00 0.00 H new ATOM 0 HG LEU A 22 0.756 19.999 -11.068 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.132 19.980 -12.668 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -1.437 18.881 -11.302 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.243 20.466 -11.366 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.184 22.078 -12.314 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.912 22.562 -10.997 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.841 22.460 -10.705 1.00 0.00 H new ATOM 42 N LEU A 23 1.409 18.241 -9.476 1.00 0.00 N ATOM 43 CA LEU A 23 2.336 17.293 -10.157 1.00 0.00 C ATOM 44 C LEU A 23 2.613 16.140 -9.225 1.00 0.00 C ATOM 45 O LEU A 23 2.786 15.012 -9.631 1.00 0.00 O ATOM 46 CB LEU A 23 3.622 18.046 -10.500 1.00 0.00 C ATOM 47 CG LEU A 23 4.660 17.120 -11.149 1.00 0.00 C ATOM 48 CD1 LEU A 23 4.159 16.642 -12.519 1.00 0.00 C ATOM 49 CD2 LEU A 23 5.967 17.897 -11.334 1.00 0.00 C ATOM 0 H LEU A 23 1.861 19.007 -8.976 1.00 0.00 H new ATOM 0 HA LEU A 23 1.901 16.900 -11.076 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.393 18.869 -11.177 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.040 18.485 -9.594 1.00 0.00 H new ATOM 0 HG LEU A 23 4.822 16.253 -10.508 1.00 0.00 H new ATOM 0 HD11 LEU A 23 4.903 15.986 -12.970 1.00 0.00 H new ATOM 0 HD12 LEU A 23 3.223 16.097 -12.394 1.00 0.00 H new ATOM 0 HD13 LEU A 23 3.994 17.503 -13.167 1.00 0.00 H new ATOM 0 HD21 LEU A 23 6.713 17.250 -11.795 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.790 18.760 -11.976 1.00 0.00 H new ATOM 0 HD23 LEU A 23 6.330 18.235 -10.363 1.00 0.00 H new ATOM 61 N ILE A 24 2.631 16.417 -7.971 1.00 0.00 N ATOM 62 CA ILE A 24 2.875 15.349 -6.990 1.00 0.00 C ATOM 63 C ILE A 24 1.708 14.372 -7.111 1.00 0.00 C ATOM 64 O ILE A 24 1.744 13.262 -6.620 1.00 0.00 O ATOM 65 CB ILE A 24 2.952 15.957 -5.573 1.00 0.00 C ATOM 66 CG1 ILE A 24 3.616 17.392 -5.618 1.00 0.00 C ATOM 67 CG2 ILE A 24 3.732 14.995 -4.659 1.00 0.00 C ATOM 68 CD1 ILE A 24 4.902 17.461 -4.778 1.00 0.00 C ATOM 0 H ILE A 24 2.486 17.346 -7.576 1.00 0.00 H new ATOM 0 HA ILE A 24 3.818 14.835 -7.174 1.00 0.00 H new ATOM 0 HB ILE A 24 1.948 16.085 -5.169 1.00 0.00 H new ATOM 0 HG12 ILE A 24 3.844 17.653 -6.651 1.00 0.00 H new ATOM 0 HG13 ILE A 24 2.904 18.132 -5.252 1.00 0.00 H new ATOM 0 HG21 ILE A 24 3.792 15.415 -3.655 1.00 0.00 H new ATOM 0 HG22 ILE A 24 3.219 14.034 -4.620 1.00 0.00 H new ATOM 0 HG23 ILE A 24 4.738 14.853 -5.054 1.00 0.00 H new ATOM 0 HD11 ILE A 24 5.323 18.465 -4.839 1.00 0.00 H new ATOM 0 HD12 ILE A 24 4.671 17.227 -3.739 1.00 0.00 H new ATOM 0 HD13 ILE A 24 5.625 16.741 -5.160 1.00 0.00 H new ATOM 80 N THR A 25 0.663 14.801 -7.781 1.00 0.00 N ATOM 81 CA THR A 25 -0.537 13.932 -7.971 1.00 0.00 C ATOM 82 C THR A 25 -0.492 13.272 -9.356 1.00 0.00 C ATOM 83 O THR A 25 -0.860 12.124 -9.515 1.00 0.00 O ATOM 84 CB THR A 25 -1.795 14.796 -7.876 1.00 0.00 C ATOM 85 OG1 THR A 25 -1.932 15.290 -6.550 1.00 0.00 O ATOM 86 CG2 THR A 25 -3.029 13.964 -8.238 1.00 0.00 C ATOM 0 H THR A 25 0.593 15.725 -8.207 1.00 0.00 H new ATOM 0 HA THR A 25 -0.548 13.159 -7.202 1.00 0.00 H new ATOM 0 HB THR A 25 -1.708 15.631 -8.572 1.00 0.00 H new ATOM 0 HG1 THR A 25 -1.168 15.865 -6.334 1.00 0.00 H new ATOM 0 HG21 THR A 25 -3.921 14.587 -8.168 1.00 0.00 H new ATOM 0 HG22 THR A 25 -2.928 13.588 -9.256 1.00 0.00 H new ATOM 0 HG23 THR A 25 -3.117 13.125 -7.548 1.00 0.00 H new ATOM 94 N ILE A 26 -0.054 13.985 -10.362 1.00 0.00 N ATOM 95 CA ILE A 26 -0.005 13.385 -11.731 1.00 0.00 C ATOM 96 C ILE A 26 1.161 12.434 -11.788 1.00 0.00 C ATOM 97 O ILE A 26 1.065 11.288 -12.169 1.00 0.00 O ATOM 98 CB ILE A 26 0.228 14.514 -12.766 1.00 0.00 C ATOM 99 CG1 ILE A 26 -1.119 15.125 -13.229 1.00 0.00 C ATOM 100 CG2 ILE A 26 0.964 13.971 -14.012 1.00 0.00 C ATOM 101 CD1 ILE A 26 -2.114 15.281 -12.070 1.00 0.00 C ATOM 0 H ILE A 26 0.270 14.950 -10.297 1.00 0.00 H new ATOM 0 HA ILE A 26 -0.937 12.864 -11.950 1.00 0.00 H new ATOM 0 HB ILE A 26 0.834 15.278 -12.279 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -0.937 16.099 -13.683 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -1.558 14.491 -13.999 1.00 0.00 H new ATOM 0 HG21 ILE A 26 1.117 14.781 -14.726 1.00 0.00 H new ATOM 0 HG22 ILE A 26 1.930 13.562 -13.715 1.00 0.00 H new ATOM 0 HG23 ILE A 26 0.365 13.187 -14.476 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -3.043 15.713 -12.443 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -2.318 14.304 -11.632 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -1.688 15.937 -11.311 1.00 0.00 H new ATOM 113 N HIS A 27 2.259 12.951 -11.436 1.00 0.00 N ATOM 114 CA HIS A 27 3.509 12.181 -11.468 1.00 0.00 C ATOM 115 C HIS A 27 3.369 10.922 -10.602 1.00 0.00 C ATOM 116 O HIS A 27 4.193 10.030 -10.656 1.00 0.00 O ATOM 117 CB HIS A 27 4.616 13.111 -10.962 1.00 0.00 C ATOM 118 CG HIS A 27 5.878 12.894 -11.740 1.00 0.00 C ATOM 119 ND1 HIS A 27 6.972 12.209 -11.240 1.00 0.00 N ATOM 120 CD2 HIS A 27 6.216 13.282 -13.006 1.00 0.00 C ATOM 121 CE1 HIS A 27 7.916 12.207 -12.201 1.00 0.00 C ATOM 122 NE2 HIS A 27 7.505 12.850 -13.300 1.00 0.00 N ATOM 0 H HIS A 27 2.361 13.913 -11.112 1.00 0.00 H new ATOM 0 HA HIS A 27 3.750 11.839 -12.475 1.00 0.00 H new ATOM 0 HB2 HIS A 27 4.298 14.149 -11.055 1.00 0.00 H new ATOM 0 HB3 HIS A 27 4.798 12.927 -9.903 1.00 0.00 H new ATOM 0 HD2 HIS A 27 5.579 13.840 -13.677 1.00 0.00 H new ATOM 0 HE1 HIS A 27 8.886 11.743 -12.097 1.00 0.00 H new ATOM 0 HE2 HIS A 27 8.025 12.993 -14.166 1.00 0.00 H new ATOM 130 N ASP A 28 2.327 10.839 -9.813 1.00 0.00 N ATOM 131 CA ASP A 28 2.124 9.632 -8.952 1.00 0.00 C ATOM 132 C ASP A 28 1.120 8.684 -9.615 1.00 0.00 C ATOM 133 O ASP A 28 1.243 7.479 -9.523 1.00 0.00 O ATOM 134 CB ASP A 28 1.580 10.058 -7.588 1.00 0.00 C ATOM 135 CG ASP A 28 2.664 10.813 -6.817 1.00 0.00 C ATOM 136 OD1 ASP A 28 3.595 11.283 -7.451 1.00 0.00 O ATOM 137 OD2 ASP A 28 2.546 10.910 -5.607 1.00 0.00 O ATOM 0 H ASP A 28 1.607 11.556 -9.727 1.00 0.00 H new ATOM 0 HA ASP A 28 3.080 9.123 -8.825 1.00 0.00 H new ATOM 0 HB2 ASP A 28 0.703 10.692 -7.717 1.00 0.00 H new ATOM 0 HB3 ASP A 28 1.260 9.182 -7.023 1.00 0.00 H new ATOM 142 N ARG A 29 0.121 9.210 -10.278 1.00 0.00 N ATOM 143 CA ARG A 29 -0.882 8.316 -10.929 1.00 0.00 C ATOM 144 C ARG A 29 -0.151 7.268 -11.772 1.00 0.00 C ATOM 145 O ARG A 29 -0.715 6.268 -12.169 1.00 0.00 O ATOM 146 CB ARG A 29 -1.856 9.145 -11.796 1.00 0.00 C ATOM 147 CG ARG A 29 -1.297 9.368 -13.210 1.00 0.00 C ATOM 148 CD ARG A 29 -2.123 10.441 -13.921 1.00 0.00 C ATOM 149 NE ARG A 29 -1.766 10.466 -15.367 1.00 0.00 N ATOM 150 CZ ARG A 29 -2.536 11.086 -16.219 1.00 0.00 C ATOM 151 NH1 ARG A 29 -3.619 11.685 -15.803 1.00 0.00 N ATOM 152 NH2 ARG A 29 -2.224 11.106 -17.486 1.00 0.00 N ATOM 0 H ARG A 29 -0.042 10.210 -10.396 1.00 0.00 H new ATOM 0 HA ARG A 29 -1.469 7.806 -10.165 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -2.816 8.632 -11.859 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -2.040 10.108 -11.320 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -0.252 9.675 -13.156 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -1.327 8.437 -13.776 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -3.187 10.235 -13.802 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -1.935 11.416 -13.472 1.00 0.00 H new ATOM 0 HE ARG A 29 -0.919 9.998 -15.691 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -3.863 11.668 -14.813 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -4.221 12.170 -16.468 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -1.378 10.637 -17.810 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -2.826 11.591 -18.152 1.00 0.00 H new ATOM 166 N LYS A 30 1.106 7.490 -12.039 1.00 0.00 N ATOM 167 CA LYS A 30 1.880 6.507 -12.845 1.00 0.00 C ATOM 168 C LYS A 30 1.708 5.124 -12.224 1.00 0.00 C ATOM 169 O LYS A 30 1.420 4.157 -12.900 1.00 0.00 O ATOM 170 CB LYS A 30 3.362 6.892 -12.842 1.00 0.00 C ATOM 171 CG LYS A 30 4.113 6.037 -13.864 1.00 0.00 C ATOM 172 CD LYS A 30 5.607 6.356 -13.798 1.00 0.00 C ATOM 173 CE LYS A 30 6.379 5.376 -14.683 1.00 0.00 C ATOM 174 NZ LYS A 30 5.682 5.235 -15.994 1.00 0.00 N ATOM 0 H LYS A 30 1.630 8.310 -11.734 1.00 0.00 H new ATOM 0 HA LYS A 30 1.518 6.501 -13.873 1.00 0.00 H new ATOM 0 HB2 LYS A 30 3.475 7.949 -13.083 1.00 0.00 H new ATOM 0 HB3 LYS A 30 3.785 6.745 -11.848 1.00 0.00 H new ATOM 0 HG2 LYS A 30 3.947 4.979 -13.661 1.00 0.00 H new ATOM 0 HG3 LYS A 30 3.733 6.232 -14.867 1.00 0.00 H new ATOM 0 HD2 LYS A 30 5.786 7.379 -14.129 1.00 0.00 H new ATOM 0 HD3 LYS A 30 5.959 6.287 -12.769 1.00 0.00 H new ATOM 0 HE2 LYS A 30 7.397 5.733 -14.837 1.00 0.00 H new ATOM 0 HE3 LYS A 30 6.452 4.406 -14.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 6.341 4.845 -16.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 4.870 4.594 -15.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 5.348 6.167 -16.312 1.00 0.00 H new ATOM 188 N GLU A 31 1.870 5.028 -10.932 1.00 0.00 N ATOM 189 CA GLU A 31 1.702 3.716 -10.252 1.00 0.00 C ATOM 190 C GLU A 31 0.212 3.478 -10.005 1.00 0.00 C ATOM 191 O GLU A 31 -0.308 2.409 -10.256 1.00 0.00 O ATOM 192 CB GLU A 31 2.442 3.737 -8.912 1.00 0.00 C ATOM 193 CG GLU A 31 3.828 4.355 -9.105 1.00 0.00 C ATOM 194 CD GLU A 31 4.648 4.180 -7.825 1.00 0.00 C ATOM 195 OE1 GLU A 31 5.282 3.146 -7.689 1.00 0.00 O ATOM 196 OE2 GLU A 31 4.627 5.081 -7.003 1.00 0.00 O ATOM 0 H GLU A 31 2.112 5.806 -10.318 1.00 0.00 H new ATOM 0 HA GLU A 31 2.109 2.920 -10.875 1.00 0.00 H new ATOM 0 HB2 GLU A 31 1.875 4.312 -8.180 1.00 0.00 H new ATOM 0 HB3 GLU A 31 2.535 2.724 -8.520 1.00 0.00 H new ATOM 0 HG2 GLU A 31 4.337 3.879 -9.943 1.00 0.00 H new ATOM 0 HG3 GLU A 31 3.735 5.413 -9.348 1.00 0.00 H new ATOM 203 N PHE A 32 -0.477 4.473 -9.516 1.00 0.00 N ATOM 204 CA PHE A 32 -1.932 4.313 -9.256 1.00 0.00 C ATOM 205 C PHE A 32 -2.609 3.862 -10.544 1.00 0.00 C ATOM 206 O PHE A 32 -3.475 3.010 -10.553 1.00 0.00 O ATOM 207 CB PHE A 32 -2.513 5.665 -8.776 1.00 0.00 C ATOM 208 CG PHE A 32 -3.521 5.444 -7.662 1.00 0.00 C ATOM 209 CD1 PHE A 32 -4.567 4.529 -7.837 1.00 0.00 C ATOM 210 CD2 PHE A 32 -3.407 6.155 -6.460 1.00 0.00 C ATOM 211 CE1 PHE A 32 -5.497 4.325 -6.812 1.00 0.00 C ATOM 212 CE2 PHE A 32 -4.338 5.949 -5.434 1.00 0.00 C ATOM 213 CZ PHE A 32 -5.383 5.034 -5.611 1.00 0.00 C ATOM 0 H PHE A 32 -0.093 5.390 -9.286 1.00 0.00 H new ATOM 0 HA PHE A 32 -2.105 3.566 -8.481 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -1.708 6.309 -8.423 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -2.991 6.179 -9.610 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -4.656 3.981 -8.763 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -2.602 6.862 -6.325 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -6.304 3.620 -6.948 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -4.250 6.496 -4.507 1.00 0.00 H new ATOM 0 HZ PHE A 32 -6.101 4.875 -4.820 1.00 0.00 H new ATOM 223 N ALA A 33 -2.198 4.431 -11.626 1.00 0.00 N ATOM 224 CA ALA A 33 -2.781 4.060 -12.944 1.00 0.00 C ATOM 225 C ALA A 33 -2.309 2.657 -13.324 1.00 0.00 C ATOM 226 O ALA A 33 -2.932 1.974 -14.106 1.00 0.00 O ATOM 227 CB ALA A 33 -2.324 5.061 -14.006 1.00 0.00 C ATOM 0 H ALA A 33 -1.474 5.148 -11.663 1.00 0.00 H new ATOM 0 HA ALA A 33 -3.869 4.075 -12.881 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -2.752 4.788 -14.971 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -2.658 6.061 -13.731 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -1.236 5.048 -14.074 1.00 0.00 H new ATOM 233 N LYS A 34 -1.208 2.216 -12.774 1.00 0.00 N ATOM 234 CA LYS A 34 -0.703 0.850 -13.105 1.00 0.00 C ATOM 235 C LYS A 34 -1.401 -0.170 -12.193 1.00 0.00 C ATOM 236 O LYS A 34 -2.109 -1.044 -12.653 1.00 0.00 O ATOM 237 CB LYS A 34 0.832 0.808 -12.894 1.00 0.00 C ATOM 238 CG LYS A 34 1.530 0.096 -14.071 1.00 0.00 C ATOM 239 CD LYS A 34 1.153 -1.396 -14.098 1.00 0.00 C ATOM 240 CE LYS A 34 2.034 -2.190 -13.125 1.00 0.00 C ATOM 241 NZ LYS A 34 1.776 -3.648 -13.303 1.00 0.00 N ATOM 0 H LYS A 34 -0.637 2.741 -12.111 1.00 0.00 H new ATOM 0 HA LYS A 34 -0.919 0.606 -14.145 1.00 0.00 H new ATOM 0 HB2 LYS A 34 1.218 1.823 -12.797 1.00 0.00 H new ATOM 0 HB3 LYS A 34 1.061 0.290 -11.963 1.00 0.00 H new ATOM 0 HG2 LYS A 34 1.242 0.567 -15.011 1.00 0.00 H new ATOM 0 HG3 LYS A 34 2.611 0.203 -13.979 1.00 0.00 H new ATOM 0 HD2 LYS A 34 0.104 -1.517 -13.829 1.00 0.00 H new ATOM 0 HD3 LYS A 34 1.271 -1.789 -15.108 1.00 0.00 H new ATOM 0 HE2 LYS A 34 3.086 -1.970 -13.307 1.00 0.00 H new ATOM 0 HE3 LYS A 34 1.820 -1.894 -12.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 2.372 -4.189 -12.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 0.774 -3.850 -13.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 2.001 -3.924 -14.280 1.00 0.00 H new ATOM 255 N PHE A 35 -1.207 -0.062 -10.906 1.00 0.00 N ATOM 256 CA PHE A 35 -1.863 -1.025 -9.976 1.00 0.00 C ATOM 257 C PHE A 35 -3.361 -1.051 -10.256 1.00 0.00 C ATOM 258 O PHE A 35 -4.083 -1.903 -9.782 1.00 0.00 O ATOM 259 CB PHE A 35 -1.615 -0.596 -8.527 1.00 0.00 C ATOM 260 CG PHE A 35 -0.195 -0.935 -8.134 1.00 0.00 C ATOM 261 CD1 PHE A 35 0.123 -2.231 -7.712 1.00 0.00 C ATOM 262 CD2 PHE A 35 0.800 0.047 -8.192 1.00 0.00 C ATOM 263 CE1 PHE A 35 1.437 -2.546 -7.347 1.00 0.00 C ATOM 264 CE2 PHE A 35 2.116 -0.268 -7.827 1.00 0.00 C ATOM 265 CZ PHE A 35 2.433 -1.564 -7.405 1.00 0.00 C ATOM 0 H PHE A 35 -0.626 0.648 -10.460 1.00 0.00 H new ATOM 0 HA PHE A 35 -1.446 -2.021 -10.128 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -1.787 0.475 -8.420 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -2.317 -1.100 -7.863 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -0.646 -2.988 -7.668 1.00 0.00 H new ATOM 0 HD2 PHE A 35 0.554 1.047 -8.518 1.00 0.00 H new ATOM 0 HE1 PHE A 35 1.682 -3.546 -7.021 1.00 0.00 H new ATOM 0 HE2 PHE A 35 2.885 0.489 -7.871 1.00 0.00 H new ATOM 0 HZ PHE A 35 3.447 -1.807 -7.124 1.00 0.00 H new ATOM 275 N GLU A 36 -3.831 -0.121 -11.025 1.00 0.00 N ATOM 276 CA GLU A 36 -5.280 -0.078 -11.348 1.00 0.00 C ATOM 277 C GLU A 36 -5.756 -1.455 -11.801 1.00 0.00 C ATOM 278 O GLU A 36 -6.818 -1.914 -11.447 1.00 0.00 O ATOM 279 CB GLU A 36 -5.520 0.992 -12.425 1.00 0.00 C ATOM 280 CG GLU A 36 -5.222 0.427 -13.804 1.00 0.00 C ATOM 281 CD GLU A 36 -5.379 1.526 -14.858 1.00 0.00 C ATOM 282 OE1 GLU A 36 -6.209 2.398 -14.656 1.00 0.00 O ATOM 283 OE2 GLU A 36 -4.668 1.476 -15.847 1.00 0.00 O ATOM 0 H GLU A 36 -3.272 0.619 -11.449 1.00 0.00 H new ATOM 0 HA GLU A 36 -5.856 0.189 -10.462 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -6.553 1.337 -12.381 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -4.886 1.858 -12.235 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -4.209 0.025 -13.832 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -5.898 -0.399 -14.023 1.00 0.00 H new ATOM 290 N GLU A 37 -4.972 -2.093 -12.597 1.00 0.00 N ATOM 291 CA GLU A 37 -5.346 -3.440 -13.125 1.00 0.00 C ATOM 292 C GLU A 37 -5.627 -4.423 -11.980 1.00 0.00 C ATOM 293 O GLU A 37 -6.435 -5.320 -12.111 1.00 0.00 O ATOM 294 CB GLU A 37 -4.200 -3.982 -13.981 1.00 0.00 C ATOM 295 CG GLU A 37 -4.628 -5.297 -14.637 1.00 0.00 C ATOM 296 CD GLU A 37 -3.535 -5.769 -15.597 1.00 0.00 C ATOM 297 OE1 GLU A 37 -2.420 -5.290 -15.475 1.00 0.00 O ATOM 298 OE2 GLU A 37 -3.832 -6.603 -16.436 1.00 0.00 O ATOM 0 H GLU A 37 -4.069 -1.744 -12.918 1.00 0.00 H new ATOM 0 HA GLU A 37 -6.251 -3.337 -13.723 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -3.928 -3.254 -14.745 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -3.316 -4.142 -13.364 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -4.808 -6.054 -13.874 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -5.565 -5.158 -15.176 1.00 0.00 H new ATOM 305 N GLU A 38 -4.961 -4.278 -10.868 1.00 0.00 N ATOM 306 CA GLU A 38 -5.174 -5.206 -9.740 1.00 0.00 C ATOM 307 C GLU A 38 -6.515 -4.923 -9.055 1.00 0.00 C ATOM 308 O GLU A 38 -7.369 -5.780 -8.942 1.00 0.00 O ATOM 309 CB GLU A 38 -4.043 -4.969 -8.747 1.00 0.00 C ATOM 310 CG GLU A 38 -2.744 -5.564 -9.296 1.00 0.00 C ATOM 311 CD GLU A 38 -2.797 -7.089 -9.192 1.00 0.00 C ATOM 312 OE1 GLU A 38 -2.630 -7.595 -8.095 1.00 0.00 O ATOM 313 OE2 GLU A 38 -3.004 -7.726 -10.212 1.00 0.00 O ATOM 0 H GLU A 38 -4.272 -3.545 -10.698 1.00 0.00 H new ATOM 0 HA GLU A 38 -5.186 -6.236 -10.096 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -3.919 -3.901 -8.570 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -4.287 -5.425 -7.787 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.605 -5.264 -10.335 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -1.891 -5.180 -8.737 1.00 0.00 H new ATOM 320 N ARG A 39 -6.682 -3.725 -8.580 1.00 0.00 N ATOM 321 CA ARG A 39 -7.935 -3.328 -7.866 1.00 0.00 C ATOM 322 C ARG A 39 -8.873 -2.574 -8.792 1.00 0.00 C ATOM 323 O ARG A 39 -9.781 -1.950 -8.311 1.00 0.00 O ATOM 324 CB ARG A 39 -7.604 -2.472 -6.639 1.00 0.00 C ATOM 325 CG ARG A 39 -6.368 -1.603 -6.926 1.00 0.00 C ATOM 326 CD ARG A 39 -6.502 -0.272 -6.190 1.00 0.00 C ATOM 327 NE ARG A 39 -7.252 -0.470 -4.907 1.00 0.00 N ATOM 328 CZ ARG A 39 -7.189 0.447 -3.978 1.00 0.00 C ATOM 329 NH1 ARG A 39 -6.456 1.511 -4.165 1.00 0.00 N ATOM 330 NH2 ARG A 39 -7.854 0.304 -2.866 1.00 0.00 N ATOM 0 H ARG A 39 -5.988 -2.981 -8.656 1.00 0.00 H new ATOM 0 HA ARG A 39 -8.437 -4.238 -7.536 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -8.454 -1.838 -6.386 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -7.417 -3.113 -5.777 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -5.464 -2.120 -6.604 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -6.272 -1.430 -7.998 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -5.514 0.140 -5.984 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -7.024 0.450 -6.818 1.00 0.00 H new ATOM 0 HE ARG A 39 -7.807 -1.313 -4.760 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -5.935 1.625 -5.034 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -6.405 2.229 -3.442 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -8.427 -0.527 -2.718 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -7.801 1.023 -2.144 1.00 0.00 H new ATOM 344 N ALA A 40 -8.649 -2.599 -10.090 1.00 0.00 N ATOM 345 CA ALA A 40 -9.538 -1.880 -11.115 1.00 0.00 C ATOM 346 C ALA A 40 -11.004 -1.728 -10.666 1.00 0.00 C ATOM 347 O ALA A 40 -11.889 -1.426 -11.438 1.00 0.00 O ATOM 348 CB ALA A 40 -9.495 -2.639 -12.445 1.00 0.00 C ATOM 0 H ALA A 40 -7.866 -3.100 -10.510 1.00 0.00 H new ATOM 0 HA ALA A 40 -9.137 -0.872 -11.221 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -10.125 -2.131 -13.175 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -8.469 -2.672 -12.812 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -9.860 -3.655 -12.296 1.00 0.00 H new ATOM 354 N ARG A 41 -11.237 -1.941 -9.445 1.00 0.00 N ATOM 355 CA ARG A 41 -12.542 -1.835 -8.834 1.00 0.00 C ATOM 356 C ARG A 41 -12.709 -0.425 -8.281 1.00 0.00 C ATOM 357 O ARG A 41 -13.794 0.004 -7.996 1.00 0.00 O ATOM 358 CB ARG A 41 -12.499 -2.816 -7.693 1.00 0.00 C ATOM 359 CG ARG A 41 -12.267 -4.267 -8.234 1.00 0.00 C ATOM 360 CD ARG A 41 -11.217 -5.049 -7.392 1.00 0.00 C ATOM 361 NE ARG A 41 -10.247 -5.749 -8.301 1.00 0.00 N ATOM 362 CZ ARG A 41 -10.656 -6.443 -9.334 1.00 0.00 C ATOM 363 NH1 ARG A 41 -11.929 -6.619 -9.552 1.00 0.00 N ATOM 364 NH2 ARG A 41 -9.781 -6.985 -10.136 1.00 0.00 N ATOM 0 H ARG A 41 -10.507 -2.209 -8.786 1.00 0.00 H new ATOM 0 HA ARG A 41 -13.359 -2.034 -9.528 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -11.700 -2.546 -7.002 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -13.433 -2.774 -7.133 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -13.212 -4.810 -8.228 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -11.934 -4.217 -9.271 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -10.682 -4.363 -6.735 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -11.719 -5.776 -6.754 1.00 0.00 H new ATOM 0 HE ARG A 41 -9.247 -5.682 -8.109 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -12.616 -6.215 -8.916 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -12.238 -7.161 -10.359 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -8.784 -6.867 -9.957 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -10.094 -7.526 -10.942 1.00 0.00 H new ATOM 378 N ALA A 42 -11.634 0.297 -8.104 1.00 0.00 N ATOM 379 CA ALA A 42 -11.765 1.672 -7.522 1.00 0.00 C ATOM 380 C ALA A 42 -12.737 2.488 -8.335 1.00 0.00 C ATOM 381 O ALA A 42 -13.578 3.202 -7.827 1.00 0.00 O ATOM 382 CB ALA A 42 -10.399 2.360 -7.497 1.00 0.00 C ATOM 0 H ALA A 42 -10.684 0.004 -8.332 1.00 0.00 H new ATOM 0 HA ALA A 42 -12.140 1.589 -6.502 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -10.502 3.359 -7.073 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -9.709 1.777 -6.888 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -10.011 2.436 -8.513 1.00 0.00 H new ATOM 388 N LYS A 43 -12.613 2.366 -9.585 1.00 0.00 N ATOM 389 CA LYS A 43 -13.491 3.092 -10.525 1.00 0.00 C ATOM 390 C LYS A 43 -14.953 2.735 -10.333 1.00 0.00 C ATOM 391 O LYS A 43 -15.826 3.488 -10.715 1.00 0.00 O ATOM 392 CB LYS A 43 -13.072 2.732 -11.942 1.00 0.00 C ATOM 393 CG LYS A 43 -12.566 1.259 -12.023 1.00 0.00 C ATOM 394 CD LYS A 43 -11.088 1.226 -12.478 1.00 0.00 C ATOM 395 CE LYS A 43 -10.929 1.892 -13.863 1.00 0.00 C ATOM 396 NZ LYS A 43 -10.384 3.269 -13.690 1.00 0.00 N ATOM 0 H LYS A 43 -11.915 1.772 -10.033 1.00 0.00 H new ATOM 0 HA LYS A 43 -13.387 4.161 -10.338 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -13.915 2.867 -12.619 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -12.285 3.409 -12.274 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -12.665 0.779 -11.050 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -13.182 0.693 -12.722 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -10.465 1.742 -11.747 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -10.739 0.194 -12.523 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -10.261 1.300 -14.489 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -11.892 1.931 -14.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -11.064 3.961 -14.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -10.222 3.454 -12.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -9.485 3.354 -14.206 1.00 0.00 H new ATOM 410 N TRP A 44 -15.241 1.614 -9.761 1.00 0.00 N ATOM 411 CA TRP A 44 -16.689 1.257 -9.571 1.00 0.00 C ATOM 412 C TRP A 44 -16.876 0.401 -8.325 1.00 0.00 C ATOM 413 O TRP A 44 -17.852 -0.308 -8.180 1.00 0.00 O ATOM 414 CB TRP A 44 -17.237 0.519 -10.795 1.00 0.00 C ATOM 415 CG TRP A 44 -16.219 -0.413 -11.266 1.00 0.00 C ATOM 416 CD1 TRP A 44 -15.360 -0.111 -12.213 1.00 0.00 C ATOM 417 CD2 TRP A 44 -15.928 -1.771 -10.842 1.00 0.00 C ATOM 418 NE1 TRP A 44 -14.502 -1.167 -12.395 1.00 0.00 N ATOM 419 CE2 TRP A 44 -14.813 -2.222 -11.572 1.00 0.00 C ATOM 420 CE3 TRP A 44 -16.500 -2.637 -9.902 1.00 0.00 C ATOM 421 CZ2 TRP A 44 -14.270 -3.485 -11.375 1.00 0.00 C ATOM 422 CZ3 TRP A 44 -15.965 -3.922 -9.703 1.00 0.00 C ATOM 423 CH2 TRP A 44 -14.845 -4.342 -10.435 1.00 0.00 C ATOM 0 H TRP A 44 -14.565 0.932 -9.418 1.00 0.00 H new ATOM 0 HA TRP A 44 -17.245 2.186 -9.447 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -18.151 -0.016 -10.537 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -17.494 1.228 -11.582 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -15.333 0.819 -12.761 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -13.728 -1.168 -13.060 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -17.356 -2.316 -9.327 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -13.409 -3.802 -11.945 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -16.418 -4.588 -8.984 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -14.429 -5.325 -10.272 1.00 0.00 H new ATOM 434 N ASP A 45 -15.935 0.446 -7.442 1.00 0.00 N ATOM 435 CA ASP A 45 -16.030 -0.385 -6.202 1.00 0.00 C ATOM 436 C ASP A 45 -14.892 -0.067 -5.258 1.00 0.00 C ATOM 437 O ASP A 45 -15.088 0.419 -4.164 1.00 0.00 O ATOM 438 CB ASP A 45 -15.948 -1.878 -6.593 1.00 0.00 C ATOM 439 CG ASP A 45 -17.341 -2.538 -6.524 1.00 0.00 C ATOM 440 OD1 ASP A 45 -18.117 -2.163 -5.659 1.00 0.00 O ATOM 441 OD2 ASP A 45 -17.601 -3.416 -7.328 1.00 0.00 O ATOM 0 H ASP A 45 -15.096 1.021 -7.515 1.00 0.00 H new ATOM 0 HA ASP A 45 -16.975 -0.167 -5.704 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -15.545 -1.973 -7.601 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -15.261 -2.397 -5.924 1.00 0.00 H new ATOM 446 N THR A 46 -13.727 -0.414 -5.670 1.00 0.00 N ATOM 447 CA THR A 46 -12.516 -0.239 -4.836 1.00 0.00 C ATOM 448 C THR A 46 -12.484 -1.397 -3.887 1.00 0.00 C ATOM 449 O THR A 46 -11.462 -1.989 -3.651 1.00 0.00 O ATOM 450 CB THR A 46 -12.516 1.138 -4.111 1.00 0.00 C ATOM 451 OG1 THR A 46 -11.257 1.760 -4.328 1.00 0.00 O ATOM 452 CG2 THR A 46 -12.742 1.012 -2.593 1.00 0.00 C ATOM 0 H THR A 46 -13.549 -0.829 -6.585 1.00 0.00 H new ATOM 0 HA THR A 46 -11.612 -0.231 -5.445 1.00 0.00 H new ATOM 0 HB THR A 46 -13.338 1.726 -4.519 1.00 0.00 H new ATOM 0 HG1 THR A 46 -11.241 2.631 -3.879 1.00 0.00 H new ATOM 0 HG21 THR A 46 -12.732 2.003 -2.140 1.00 0.00 H new ATOM 0 HG22 THR A 46 -13.705 0.538 -2.407 1.00 0.00 H new ATOM 0 HG23 THR A 46 -11.949 0.406 -2.156 1.00 0.00 H new ATOM 460 N ALA A 47 -13.616 -1.739 -3.369 1.00 0.00 N ATOM 461 CA ALA A 47 -13.703 -2.903 -2.437 1.00 0.00 C ATOM 462 C ALA A 47 -14.410 -4.064 -3.110 1.00 0.00 C ATOM 463 O ALA A 47 -14.026 -5.204 -2.947 1.00 0.00 O ATOM 464 CB ALA A 47 -14.455 -2.499 -1.168 1.00 0.00 C ATOM 0 H ALA A 47 -14.501 -1.263 -3.547 1.00 0.00 H new ATOM 0 HA ALA A 47 -12.693 -3.215 -2.170 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -14.515 -3.353 -0.493 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -13.926 -1.683 -0.676 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -15.461 -2.173 -1.430 1.00 0.00 H new ATOM 470 N ASN A 48 -15.445 -3.777 -3.850 1.00 0.00 N ATOM 471 CA ASN A 48 -16.224 -4.865 -4.539 1.00 0.00 C ATOM 472 C ASN A 48 -16.304 -6.095 -3.627 1.00 0.00 C ATOM 473 O ASN A 48 -17.149 -6.219 -2.763 1.00 0.00 O ATOM 474 CB ASN A 48 -15.528 -5.269 -5.858 1.00 0.00 C ATOM 475 CG ASN A 48 -14.030 -5.493 -5.620 1.00 0.00 C ATOM 476 OD1 ASN A 48 -13.580 -6.621 -5.590 1.00 0.00 O ATOM 477 ND2 ASN A 48 -13.234 -4.478 -5.446 1.00 0.00 N ATOM 0 H ASN A 48 -15.793 -2.832 -4.013 1.00 0.00 H new ATOM 0 HA ASN A 48 -17.225 -4.493 -4.756 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -15.981 -6.179 -6.253 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -15.672 -4.490 -6.607 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -12.239 -4.632 -5.286 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -13.606 -3.528 -5.470 1.00 0.00 H new ATOM 484 N ASN A 49 -15.386 -6.977 -3.836 1.00 0.00 N ATOM 485 CA ASN A 49 -15.244 -8.216 -3.080 1.00 0.00 C ATOM 486 C ASN A 49 -13.866 -8.081 -2.420 1.00 0.00 C ATOM 487 O ASN A 49 -13.033 -7.400 -2.981 1.00 0.00 O ATOM 488 CB ASN A 49 -15.242 -9.306 -4.143 1.00 0.00 C ATOM 489 CG ASN A 49 -14.723 -10.610 -3.583 1.00 0.00 C ATOM 490 OD1 ASN A 49 -15.468 -11.550 -3.383 1.00 0.00 O ATOM 491 ND2 ASN A 49 -13.467 -10.705 -3.321 1.00 0.00 N ATOM 0 H ASN A 49 -14.677 -6.869 -4.562 1.00 0.00 H new ATOM 0 HA ASN A 49 -16.008 -8.427 -2.332 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -16.253 -9.447 -4.525 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -14.623 -8.996 -4.985 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -13.089 -11.574 -2.943 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -12.849 -9.912 -3.492 1.00 0.00 H new ATOM 498 N PRO A 50 -13.629 -8.670 -1.267 1.00 0.00 N ATOM 499 CA PRO A 50 -12.307 -8.537 -0.611 1.00 0.00 C ATOM 500 C PRO A 50 -11.153 -8.684 -1.611 1.00 0.00 C ATOM 501 O PRO A 50 -10.017 -8.383 -1.320 1.00 0.00 O ATOM 502 CB PRO A 50 -12.305 -9.612 0.491 1.00 0.00 C ATOM 503 CG PRO A 50 -13.775 -10.120 0.632 1.00 0.00 C ATOM 504 CD PRO A 50 -14.605 -9.487 -0.516 1.00 0.00 C ATOM 0 HA PRO A 50 -12.151 -7.545 -0.186 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -11.636 -10.432 0.229 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -11.947 -9.198 1.434 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -13.811 -11.208 0.575 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -14.186 -9.838 1.601 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -15.055 -10.251 -1.150 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -15.419 -8.876 -0.127 1.00 0.00 H new ATOM 512 N LEU A 51 -11.477 -9.062 -2.794 1.00 0.00 N ATOM 513 CA LEU A 51 -10.507 -9.164 -3.909 1.00 0.00 C ATOM 514 C LEU A 51 -9.505 -8.027 -3.840 1.00 0.00 C ATOM 515 O LEU A 51 -8.305 -8.186 -3.868 1.00 0.00 O ATOM 516 CB LEU A 51 -11.350 -8.944 -5.153 1.00 0.00 C ATOM 517 CG LEU A 51 -10.676 -9.500 -6.427 1.00 0.00 C ATOM 518 CD1 LEU A 51 -9.198 -9.097 -6.492 1.00 0.00 C ATOM 519 CD2 LEU A 51 -10.785 -11.032 -6.467 1.00 0.00 C ATOM 0 H LEU A 51 -12.428 -9.321 -3.055 1.00 0.00 H new ATOM 0 HA LEU A 51 -9.967 -10.111 -3.888 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -12.320 -9.422 -5.020 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -11.535 -7.877 -5.279 1.00 0.00 H new ATOM 0 HG LEU A 51 -11.195 -9.075 -7.286 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -8.750 -9.502 -7.399 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -9.117 -8.010 -6.502 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -8.675 -9.492 -5.621 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -10.305 -11.407 -7.371 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -10.292 -11.455 -5.592 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -11.836 -11.322 -6.467 1.00 0.00 H new ATOM 531 N TYR A 52 -10.065 -6.881 -3.785 1.00 0.00 N ATOM 532 CA TYR A 52 -9.309 -5.625 -3.749 1.00 0.00 C ATOM 533 C TYR A 52 -8.368 -5.717 -2.563 1.00 0.00 C ATOM 534 O TYR A 52 -7.233 -5.281 -2.595 1.00 0.00 O ATOM 535 CB TYR A 52 -10.327 -4.466 -3.617 1.00 0.00 C ATOM 536 CG TYR A 52 -10.129 -3.741 -2.291 1.00 0.00 C ATOM 537 CD1 TYR A 52 -10.664 -4.279 -1.113 1.00 0.00 C ATOM 538 CD2 TYR A 52 -9.394 -2.550 -2.244 1.00 0.00 C ATOM 539 CE1 TYR A 52 -10.470 -3.622 0.109 1.00 0.00 C ATOM 540 CE2 TYR A 52 -9.198 -1.896 -1.021 1.00 0.00 C ATOM 541 CZ TYR A 52 -9.738 -2.432 0.155 1.00 0.00 C ATOM 542 OH TYR A 52 -9.543 -1.786 1.359 1.00 0.00 O ATOM 0 H TYR A 52 -11.077 -6.753 -3.762 1.00 0.00 H new ATOM 0 HA TYR A 52 -8.719 -5.445 -4.648 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -10.203 -3.767 -4.444 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -11.343 -4.856 -3.679 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -11.226 -5.201 -1.147 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -8.978 -2.136 -3.151 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -10.886 -4.035 1.016 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -8.630 -0.978 -0.985 1.00 0.00 H new ATOM 0 HH TYR A 52 -9.012 -0.975 1.213 1.00 0.00 H new ATOM 552 N LYS A 53 -8.854 -6.314 -1.517 1.00 0.00 N ATOM 553 CA LYS A 53 -8.033 -6.491 -0.304 1.00 0.00 C ATOM 554 C LYS A 53 -7.185 -7.739 -0.499 1.00 0.00 C ATOM 555 O LYS A 53 -6.148 -7.905 0.109 1.00 0.00 O ATOM 556 CB LYS A 53 -8.964 -6.643 0.918 1.00 0.00 C ATOM 557 CG LYS A 53 -8.322 -6.022 2.167 1.00 0.00 C ATOM 558 CD LYS A 53 -6.971 -6.692 2.445 1.00 0.00 C ATOM 559 CE LYS A 53 -6.561 -6.443 3.899 1.00 0.00 C ATOM 560 NZ LYS A 53 -6.356 -4.983 4.116 1.00 0.00 N ATOM 0 H LYS A 53 -9.800 -6.691 -1.454 1.00 0.00 H new ATOM 0 HA LYS A 53 -7.385 -5.631 -0.133 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -9.920 -6.160 0.716 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -9.171 -7.698 1.095 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -8.184 -4.951 2.021 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -8.982 -6.144 3.025 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -7.039 -7.763 2.255 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -6.212 -6.296 1.770 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -7.331 -6.817 4.574 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -5.645 -6.987 4.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -5.917 -4.829 5.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -5.734 -4.606 3.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -7.274 -4.495 4.081 1.00 0.00 H new ATOM 574 N GLU A 54 -7.619 -8.619 -1.358 1.00 0.00 N ATOM 575 CA GLU A 54 -6.810 -9.867 -1.592 1.00 0.00 C ATOM 576 C GLU A 54 -5.764 -9.612 -2.668 1.00 0.00 C ATOM 577 O GLU A 54 -4.755 -10.283 -2.748 1.00 0.00 O ATOM 578 CB GLU A 54 -7.704 -11.030 -2.017 1.00 0.00 C ATOM 579 CG GLU A 54 -8.755 -11.307 -0.932 1.00 0.00 C ATOM 580 CD GLU A 54 -8.146 -12.170 0.177 1.00 0.00 C ATOM 581 OE1 GLU A 54 -8.038 -13.367 -0.023 1.00 0.00 O ATOM 582 OE2 GLU A 54 -7.799 -11.615 1.207 1.00 0.00 O ATOM 0 H GLU A 54 -8.478 -8.540 -1.902 1.00 0.00 H new ATOM 0 HA GLU A 54 -6.319 -10.132 -0.656 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -8.196 -10.795 -2.961 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -7.100 -11.921 -2.186 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -9.117 -10.367 -0.516 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -9.615 -11.814 -1.368 1.00 0.00 H new ATOM 589 N ALA A 55 -6.009 -8.651 -3.498 1.00 0.00 N ATOM 590 CA ALA A 55 -5.047 -8.339 -4.590 1.00 0.00 C ATOM 591 C ALA A 55 -3.669 -8.071 -3.988 1.00 0.00 C ATOM 592 O ALA A 55 -2.654 -8.301 -4.613 1.00 0.00 O ATOM 593 CB ALA A 55 -5.527 -7.105 -5.356 1.00 0.00 C ATOM 0 H ALA A 55 -6.840 -8.060 -3.472 1.00 0.00 H new ATOM 0 HA ALA A 55 -4.984 -9.184 -5.276 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -4.823 -6.876 -6.156 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -6.510 -7.302 -5.784 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -5.591 -6.256 -4.675 1.00 0.00 H new ATOM 599 N THR A 56 -3.624 -7.600 -2.773 1.00 0.00 N ATOM 600 CA THR A 56 -2.319 -7.333 -2.130 1.00 0.00 C ATOM 601 C THR A 56 -1.774 -8.654 -1.609 1.00 0.00 C ATOM 602 O THR A 56 -0.585 -8.909 -1.615 1.00 0.00 O ATOM 603 CB THR A 56 -2.532 -6.344 -0.975 1.00 0.00 C ATOM 604 OG1 THR A 56 -3.893 -6.387 -0.570 1.00 0.00 O ATOM 605 CG2 THR A 56 -2.180 -4.917 -1.415 1.00 0.00 C ATOM 0 H THR A 56 -4.441 -7.389 -2.200 1.00 0.00 H new ATOM 0 HA THR A 56 -1.610 -6.900 -2.836 1.00 0.00 H new ATOM 0 HB THR A 56 -1.883 -6.625 -0.146 1.00 0.00 H new ATOM 0 HG1 THR A 56 -4.035 -5.759 0.169 1.00 0.00 H new ATOM 0 HG21 THR A 56 -2.337 -4.231 -0.583 1.00 0.00 H new ATOM 0 HG22 THR A 56 -1.136 -4.879 -1.724 1.00 0.00 H new ATOM 0 HG23 THR A 56 -2.817 -4.626 -2.251 1.00 0.00 H new ATOM 613 N SER A 57 -2.651 -9.495 -1.178 1.00 0.00 N ATOM 614 CA SER A 57 -2.227 -10.822 -0.666 1.00 0.00 C ATOM 615 C SER A 57 -1.754 -11.654 -1.852 1.00 0.00 C ATOM 616 O SER A 57 -0.983 -12.581 -1.712 1.00 0.00 O ATOM 617 CB SER A 57 -3.408 -11.515 0.015 1.00 0.00 C ATOM 618 OG SER A 57 -4.316 -11.977 -0.976 1.00 0.00 O ATOM 0 H SER A 57 -3.656 -9.324 -1.155 1.00 0.00 H new ATOM 0 HA SER A 57 -1.424 -10.709 0.062 1.00 0.00 H new ATOM 0 HB2 SER A 57 -3.055 -12.351 0.619 1.00 0.00 H new ATOM 0 HB3 SER A 57 -3.910 -10.823 0.691 1.00 0.00 H new ATOM 0 HG SER A 57 -4.381 -11.314 -1.695 1.00 0.00 H new ATOM 624 N THR A 58 -2.207 -11.311 -3.026 1.00 0.00 N ATOM 625 CA THR A 58 -1.792 -12.052 -4.232 1.00 0.00 C ATOM 626 C THR A 58 -0.286 -11.887 -4.396 1.00 0.00 C ATOM 627 O THR A 58 0.363 -12.616 -5.120 1.00 0.00 O ATOM 628 CB THR A 58 -2.512 -11.484 -5.458 1.00 0.00 C ATOM 629 OG1 THR A 58 -3.890 -11.317 -5.160 1.00 0.00 O ATOM 630 CG2 THR A 58 -2.355 -12.447 -6.636 1.00 0.00 C ATOM 0 H THR A 58 -2.853 -10.540 -3.195 1.00 0.00 H new ATOM 0 HA THR A 58 -2.046 -13.107 -4.134 1.00 0.00 H new ATOM 0 HB THR A 58 -2.078 -10.519 -5.721 1.00 0.00 H new ATOM 0 HG1 THR A 58 -4.401 -11.265 -5.994 1.00 0.00 H new ATOM 0 HG21 THR A 58 -2.868 -12.042 -7.508 1.00 0.00 H new ATOM 0 HG22 THR A 58 -1.297 -12.574 -6.864 1.00 0.00 H new ATOM 0 HG23 THR A 58 -2.788 -13.413 -6.377 1.00 0.00 H new ATOM 638 N PHE A 59 0.266 -10.921 -3.718 1.00 0.00 N ATOM 639 CA PHE A 59 1.730 -10.673 -3.810 1.00 0.00 C ATOM 640 C PHE A 59 2.455 -11.620 -2.874 1.00 0.00 C ATOM 641 O PHE A 59 3.421 -12.271 -3.221 1.00 0.00 O ATOM 642 CB PHE A 59 1.995 -9.233 -3.372 1.00 0.00 C ATOM 643 CG PHE A 59 3.347 -8.782 -3.871 1.00 0.00 C ATOM 644 CD1 PHE A 59 3.475 -8.245 -5.158 1.00 0.00 C ATOM 645 CD2 PHE A 59 4.473 -8.899 -3.047 1.00 0.00 C ATOM 646 CE1 PHE A 59 4.728 -7.827 -5.621 1.00 0.00 C ATOM 647 CE2 PHE A 59 5.726 -8.482 -3.511 1.00 0.00 C ATOM 648 CZ PHE A 59 5.854 -7.945 -4.797 1.00 0.00 C ATOM 0 H PHE A 59 -0.239 -10.287 -3.099 1.00 0.00 H new ATOM 0 HA PHE A 59 2.081 -10.832 -4.830 1.00 0.00 H new ATOM 0 HB2 PHE A 59 1.217 -8.577 -3.762 1.00 0.00 H new ATOM 0 HB3 PHE A 59 1.957 -9.162 -2.285 1.00 0.00 H new ATOM 0 HD1 PHE A 59 2.607 -8.153 -5.794 1.00 0.00 H new ATOM 0 HD2 PHE A 59 4.375 -9.311 -2.054 1.00 0.00 H new ATOM 0 HE1 PHE A 59 4.826 -7.413 -6.614 1.00 0.00 H new ATOM 0 HE2 PHE A 59 6.595 -8.575 -2.876 1.00 0.00 H new ATOM 0 HZ PHE A 59 6.821 -7.622 -5.154 1.00 0.00 H new ATOM 658 N THR A 60 1.977 -11.676 -1.685 1.00 0.00 N ATOM 659 CA THR A 60 2.586 -12.553 -0.650 1.00 0.00 C ATOM 660 C THR A 60 2.113 -13.990 -0.870 1.00 0.00 C ATOM 661 O THR A 60 2.746 -14.939 -0.461 1.00 0.00 O ATOM 662 CB THR A 60 2.178 -12.010 0.739 1.00 0.00 C ATOM 663 OG1 THR A 60 3.304 -11.396 1.347 1.00 0.00 O ATOM 664 CG2 THR A 60 1.654 -13.117 1.663 1.00 0.00 C ATOM 0 H THR A 60 1.169 -11.141 -1.367 1.00 0.00 H new ATOM 0 HA THR A 60 3.674 -12.554 -0.715 1.00 0.00 H new ATOM 0 HB THR A 60 1.373 -11.290 0.590 1.00 0.00 H new ATOM 0 HG1 THR A 60 3.051 -11.048 2.228 1.00 0.00 H new ATOM 0 HG21 THR A 60 1.380 -12.687 2.627 1.00 0.00 H new ATOM 0 HG22 THR A 60 0.778 -13.584 1.212 1.00 0.00 H new ATOM 0 HG23 THR A 60 2.431 -13.868 1.808 1.00 0.00 H new ATOM 672 N ASN A 61 1.004 -14.143 -1.515 1.00 0.00 N ATOM 673 CA ASN A 61 0.471 -15.511 -1.775 1.00 0.00 C ATOM 674 C ASN A 61 1.461 -16.278 -2.644 1.00 0.00 C ATOM 675 O ASN A 61 1.340 -17.469 -2.847 1.00 0.00 O ATOM 676 CB ASN A 61 -0.862 -15.406 -2.510 1.00 0.00 C ATOM 677 CG ASN A 61 -1.411 -16.809 -2.779 1.00 0.00 C ATOM 678 OD1 ASN A 61 -0.991 -17.766 -2.160 1.00 0.00 O ATOM 679 ND2 ASN A 61 -2.338 -16.971 -3.683 1.00 0.00 N ATOM 0 H ASN A 61 0.434 -13.380 -1.879 1.00 0.00 H new ATOM 0 HA ASN A 61 0.327 -16.032 -0.829 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -1.573 -14.834 -1.914 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -0.730 -14.870 -3.450 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -2.711 -17.902 -3.870 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -2.690 -16.167 -4.202 1.00 0.00 H new ATOM 686 N ILE A 62 2.441 -15.592 -3.157 1.00 0.00 N ATOM 687 CA ILE A 62 3.471 -16.245 -4.028 1.00 0.00 C ATOM 688 C ILE A 62 4.736 -16.434 -3.201 1.00 0.00 C ATOM 689 O ILE A 62 5.594 -17.236 -3.509 1.00 0.00 O ATOM 690 CB ILE A 62 3.764 -15.341 -5.251 1.00 0.00 C ATOM 691 CG1 ILE A 62 2.545 -14.459 -5.533 1.00 0.00 C ATOM 692 CG2 ILE A 62 4.064 -16.198 -6.487 1.00 0.00 C ATOM 693 CD1 ILE A 62 2.797 -13.627 -6.791 1.00 0.00 C ATOM 0 H ILE A 62 2.579 -14.592 -3.011 1.00 0.00 H new ATOM 0 HA ILE A 62 3.113 -17.209 -4.388 1.00 0.00 H new ATOM 0 HB ILE A 62 4.632 -14.719 -5.031 1.00 0.00 H new ATOM 0 HG12 ILE A 62 1.658 -15.078 -5.665 1.00 0.00 H new ATOM 0 HG13 ILE A 62 2.353 -13.804 -4.683 1.00 0.00 H new ATOM 0 HG21 ILE A 62 4.268 -15.549 -7.339 1.00 0.00 H new ATOM 0 HG22 ILE A 62 4.934 -16.825 -6.292 1.00 0.00 H new ATOM 0 HG23 ILE A 62 3.204 -16.829 -6.710 1.00 0.00 H new ATOM 0 HD11 ILE A 62 1.929 -12.999 -6.992 1.00 0.00 H new ATOM 0 HD12 ILE A 62 3.674 -12.997 -6.641 1.00 0.00 H new ATOM 0 HD13 ILE A 62 2.968 -14.291 -7.638 1.00 0.00 H new ATOM 705 N THR A 63 4.831 -15.689 -2.143 1.00 0.00 N ATOM 706 CA THR A 63 6.014 -15.778 -1.236 1.00 0.00 C ATOM 707 C THR A 63 5.584 -16.527 0.022 1.00 0.00 C ATOM 708 O THR A 63 6.390 -16.987 0.805 1.00 0.00 O ATOM 709 CB THR A 63 6.495 -14.356 -0.921 1.00 0.00 C ATOM 710 OG1 THR A 63 7.582 -14.035 -1.775 1.00 0.00 O ATOM 711 CG2 THR A 63 6.943 -14.204 0.542 1.00 0.00 C ATOM 0 H THR A 63 4.128 -15.007 -1.858 1.00 0.00 H new ATOM 0 HA THR A 63 6.842 -16.318 -1.696 1.00 0.00 H new ATOM 0 HB THR A 63 5.657 -13.678 -1.084 1.00 0.00 H new ATOM 0 HG1 THR A 63 7.894 -13.126 -1.580 1.00 0.00 H new ATOM 0 HG21 THR A 63 7.275 -13.180 0.716 1.00 0.00 H new ATOM 0 HG22 THR A 63 6.108 -14.433 1.204 1.00 0.00 H new ATOM 0 HG23 THR A 63 7.765 -14.891 0.744 1.00 0.00 H new ATOM 719 N TYR A 64 4.306 -16.643 0.208 1.00 0.00 N ATOM 720 CA TYR A 64 3.779 -17.355 1.406 1.00 0.00 C ATOM 721 C TYR A 64 4.467 -18.715 1.554 1.00 0.00 C ATOM 722 O TYR A 64 4.319 -19.391 2.553 1.00 0.00 O ATOM 723 CB TYR A 64 2.256 -17.543 1.281 1.00 0.00 C ATOM 724 CG TYR A 64 1.919 -18.728 0.374 1.00 0.00 C ATOM 725 CD1 TYR A 64 2.530 -18.883 -0.892 1.00 0.00 C ATOM 726 CD2 TYR A 64 0.985 -19.682 0.808 1.00 0.00 C ATOM 727 CE1 TYR A 64 2.198 -19.979 -1.698 1.00 0.00 C ATOM 728 CE2 TYR A 64 0.661 -20.774 -0.005 1.00 0.00 C ATOM 729 CZ TYR A 64 1.266 -20.923 -1.256 1.00 0.00 C ATOM 730 OH TYR A 64 0.944 -22.001 -2.054 1.00 0.00 O ATOM 0 H TYR A 64 3.594 -16.273 -0.422 1.00 0.00 H new ATOM 0 HA TYR A 64 3.988 -16.756 2.293 1.00 0.00 H new ATOM 0 HB2 TYR A 64 1.824 -17.703 2.269 1.00 0.00 H new ATOM 0 HB3 TYR A 64 1.806 -16.635 0.880 1.00 0.00 H new ATOM 0 HD1 TYR A 64 3.252 -18.157 -1.237 1.00 0.00 H new ATOM 0 HD2 TYR A 64 0.514 -19.573 1.774 1.00 0.00 H new ATOM 0 HE1 TYR A 64 2.664 -20.096 -2.665 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -0.059 -21.504 0.335 1.00 0.00 H new ATOM 0 HH TYR A 64 0.282 -22.560 -1.597 1.00 0.00 H new ATOM 740 N ARG A 65 5.213 -19.119 0.570 1.00 0.00 N ATOM 741 CA ARG A 65 5.905 -20.434 0.656 1.00 0.00 C ATOM 742 C ARG A 65 6.997 -20.360 1.718 1.00 0.00 C ATOM 743 O ARG A 65 7.565 -21.357 2.117 1.00 0.00 O ATOM 744 CB ARG A 65 6.534 -20.775 -0.696 1.00 0.00 C ATOM 745 CG ARG A 65 5.448 -20.789 -1.785 1.00 0.00 C ATOM 746 CD ARG A 65 6.085 -20.745 -3.197 1.00 0.00 C ATOM 747 NE ARG A 65 5.501 -21.821 -4.069 1.00 0.00 N ATOM 748 CZ ARG A 65 5.513 -23.079 -3.711 1.00 0.00 C ATOM 749 NH1 ARG A 65 6.121 -23.446 -2.616 1.00 0.00 N ATOM 750 NH2 ARG A 65 4.938 -23.974 -4.466 1.00 0.00 N ATOM 0 H ARG A 65 5.375 -18.597 -0.291 1.00 0.00 H new ATOM 0 HA ARG A 65 5.184 -21.206 0.923 1.00 0.00 H new ATOM 0 HB2 ARG A 65 7.303 -20.043 -0.945 1.00 0.00 H new ATOM 0 HB3 ARG A 65 7.024 -21.747 -0.645 1.00 0.00 H new ATOM 0 HG2 ARG A 65 4.837 -21.686 -1.684 1.00 0.00 H new ATOM 0 HG3 ARG A 65 4.784 -19.935 -1.654 1.00 0.00 H new ATOM 0 HD2 ARG A 65 5.914 -19.768 -3.650 1.00 0.00 H new ATOM 0 HD3 ARG A 65 7.164 -20.876 -3.120 1.00 0.00 H new ATOM 0 HE ARG A 65 5.084 -21.563 -4.964 1.00 0.00 H new ATOM 0 HH11 ARG A 65 6.590 -22.751 -2.035 1.00 0.00 H new ATOM 0 HH12 ARG A 65 6.128 -24.428 -2.341 1.00 0.00 H new ATOM 0 HH21 ARG A 65 4.481 -23.692 -5.333 1.00 0.00 H new ATOM 0 HH22 ARG A 65 4.946 -24.956 -4.189 1.00 0.00 H new ATOM 764 N GLY A 66 7.289 -19.181 2.177 1.00 0.00 N ATOM 765 CA GLY A 66 8.343 -19.021 3.217 1.00 0.00 C ATOM 766 C GLY A 66 7.826 -19.556 4.553 1.00 0.00 C ATOM 767 O GLY A 66 8.390 -19.295 5.597 1.00 0.00 O ATOM 0 H GLY A 66 6.842 -18.314 1.877 1.00 0.00 H new ATOM 0 HA2 GLY A 66 9.244 -19.558 2.922 1.00 0.00 H new ATOM 0 HA3 GLY A 66 8.616 -17.970 3.315 1.00 0.00 H new ATOM 771 N THR A 67 6.756 -20.303 4.529 1.00 0.00 N ATOM 772 CA THR A 67 6.204 -20.855 5.799 1.00 0.00 C ATOM 773 C THR A 67 5.986 -19.716 6.797 1.00 0.00 C ATOM 774 O THR A 67 5.029 -18.979 6.625 1.00 0.00 O ATOM 775 CB THR A 67 7.189 -21.868 6.386 1.00 0.00 C ATOM 776 OG1 THR A 67 7.514 -22.837 5.401 1.00 0.00 O ATOM 777 CG2 THR A 67 6.554 -22.558 7.594 1.00 0.00 C ATOM 778 OXT THR A 67 6.780 -19.600 7.715 1.00 0.00 O ATOM 0 H THR A 67 6.240 -20.555 3.686 1.00 0.00 H new ATOM 0 HA THR A 67 5.253 -21.349 5.598 1.00 0.00 H new ATOM 0 HB THR A 67 8.096 -21.352 6.700 1.00 0.00 H new ATOM 0 HG1 THR A 67 8.146 -23.485 5.776 1.00 0.00 H new ATOM 0 HG21 THR A 67 7.256 -23.279 8.012 1.00 0.00 H new ATOM 0 HG22 THR A 67 6.307 -21.813 8.350 1.00 0.00 H new ATOM 0 HG23 THR A 67 5.646 -23.074 7.282 1.00 0.00 H new TER 786 THR A 67