USER MOD reduce.3.24.130724 H: found=0, std=0, add=612, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 610 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -178:sc= 0.373 (180deg=0.368) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=-0.023) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.244 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=-0.0058) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0784) USER MOD Single : A 24 GLN : amide:sc= -0.101 K(o=-0.1,f=-1.5!) USER MOD Single : A 26 MET CE :methyl 168:sc=-0.00597 (180deg=-0.185) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 MET CE :methyl 178:sc= -0.005 (180deg=-0.0272) USER MOD Single : A 36 GLN : amide:sc= 0.475 X(o=0.48,f=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 ASN : amide:sc= 0.34 K(o=0.34,f=-6.6!) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 71:sc= 1.06 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 98:sc= 0.00448 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 15.162 9.559 3.873 1.00 0.00 N ATOM 2 CA MET A 1 14.725 8.376 4.639 1.00 0.00 C ATOM 3 C MET A 1 14.122 7.283 3.756 1.00 0.00 C ATOM 4 O MET A 1 14.198 6.117 4.144 1.00 0.00 O ATOM 5 CB MET A 1 13.756 8.747 5.774 1.00 0.00 C ATOM 6 CG MET A 1 14.513 9.004 7.081 1.00 0.00 C ATOM 7 SD MET A 1 15.754 10.318 6.993 1.00 0.00 S ATOM 8 CE MET A 1 16.472 10.189 8.652 1.00 0.00 C ATOM 0 H1 MET A 1 15.593 10.251 4.519 1.00 0.00 H new ATOM 0 H2 MET A 1 15.860 9.271 3.158 1.00 0.00 H new ATOM 0 H3 MET A 1 14.341 9.990 3.401 1.00 0.00 H new ATOM 0 HA MET A 1 15.632 7.967 5.085 1.00 0.00 H new ATOM 0 HB2 MET A 1 13.189 9.636 5.497 1.00 0.00 H new ATOM 0 HB3 MET A 1 13.035 7.942 5.919 1.00 0.00 H new ATOM 0 HG2 MET A 1 13.792 9.256 7.859 1.00 0.00 H new ATOM 0 HG3 MET A 1 15.003 8.080 7.388 1.00 0.00 H new ATOM 0 HE1 MET A 1 17.259 10.934 8.767 1.00 0.00 H new ATOM 0 HE2 MET A 1 15.697 10.362 9.398 1.00 0.00 H new ATOM 0 HE3 MET A 1 16.892 9.193 8.790 1.00 0.00 H new ATOM 18 N LYS A 2 13.481 7.615 2.622 1.00 0.00 N ATOM 19 CA LYS A 2 12.667 6.751 1.759 1.00 0.00 C ATOM 20 C LYS A 2 11.409 6.267 2.475 1.00 0.00 C ATOM 21 O LYS A 2 10.302 6.558 2.029 1.00 0.00 O ATOM 22 CB LYS A 2 13.500 5.605 1.153 1.00 0.00 C ATOM 23 CG LYS A 2 12.819 4.854 -0.006 1.00 0.00 C ATOM 24 CD LYS A 2 12.763 5.668 -1.309 1.00 0.00 C ATOM 25 CE LYS A 2 12.353 4.772 -2.485 1.00 0.00 C ATOM 26 NZ LYS A 2 12.672 5.371 -3.802 1.00 0.00 N ATOM 0 H LYS A 2 13.524 8.568 2.260 1.00 0.00 H new ATOM 0 HA LYS A 2 12.323 7.350 0.916 1.00 0.00 H new ATOM 0 HB2 LYS A 2 14.447 6.012 0.797 1.00 0.00 H new ATOM 0 HB3 LYS A 2 13.736 4.890 1.941 1.00 0.00 H new ATOM 0 HG2 LYS A 2 13.354 3.923 -0.190 1.00 0.00 H new ATOM 0 HG3 LYS A 2 11.805 4.586 0.290 1.00 0.00 H new ATOM 0 HD2 LYS A 2 12.052 6.487 -1.203 1.00 0.00 H new ATOM 0 HD3 LYS A 2 13.737 6.115 -1.507 1.00 0.00 H new ATOM 0 HE2 LYS A 2 12.858 3.810 -2.396 1.00 0.00 H new ATOM 0 HE3 LYS A 2 11.282 4.576 -2.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 12.374 4.724 -4.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 12.170 6.276 -3.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 13.697 5.534 -3.870 1.00 0.00 H new ATOM 40 N ALA A 3 11.568 5.502 3.552 1.00 0.00 N ATOM 41 CA ALA A 3 10.530 5.042 4.442 1.00 0.00 C ATOM 42 C ALA A 3 10.867 5.562 5.831 1.00 0.00 C ATOM 43 O ALA A 3 10.182 6.428 6.355 1.00 0.00 O ATOM 44 CB ALA A 3 10.475 3.512 4.394 1.00 0.00 C ATOM 0 H ALA A 3 12.490 5.171 3.836 1.00 0.00 H new ATOM 0 HA ALA A 3 9.545 5.410 4.154 1.00 0.00 H new ATOM 0 HB1 ALA A 3 9.693 3.155 5.064 1.00 0.00 H new ATOM 0 HB2 ALA A 3 10.257 3.187 3.376 1.00 0.00 H new ATOM 0 HB3 ALA A 3 11.436 3.103 4.707 1.00 0.00 H new ATOM 50 N SER A 4 11.903 4.979 6.433 1.00 0.00 N ATOM 51 CA SER A 4 12.095 4.758 7.851 1.00 0.00 C ATOM 52 C SER A 4 10.935 3.916 8.351 1.00 0.00 C ATOM 53 O SER A 4 11.071 2.713 8.554 1.00 0.00 O ATOM 54 CB SER A 4 12.347 6.078 8.598 1.00 0.00 C ATOM 55 OG SER A 4 12.906 5.798 9.861 1.00 0.00 O ATOM 0 H SER A 4 12.689 4.623 5.890 1.00 0.00 H new ATOM 0 HA SER A 4 13.004 4.192 8.055 1.00 0.00 H new ATOM 0 HB2 SER A 4 13.020 6.713 8.022 1.00 0.00 H new ATOM 0 HB3 SER A 4 11.413 6.628 8.714 1.00 0.00 H new ATOM 0 HG SER A 4 13.070 6.637 10.340 1.00 0.00 H new ATOM 61 N GLU A 5 9.773 4.535 8.385 1.00 0.00 N ATOM 62 CA GLU A 5 8.572 4.099 9.094 1.00 0.00 C ATOM 63 C GLU A 5 8.091 2.758 8.523 1.00 0.00 C ATOM 64 O GLU A 5 7.914 1.763 9.208 1.00 0.00 O ATOM 65 CB GLU A 5 7.529 5.238 9.025 1.00 0.00 C ATOM 66 CG GLU A 5 6.893 5.460 7.636 1.00 0.00 C ATOM 67 CD GLU A 5 6.348 6.865 7.358 1.00 0.00 C ATOM 68 OE1 GLU A 5 6.249 7.676 8.306 1.00 0.00 O ATOM 69 OE2 GLU A 5 6.023 7.135 6.173 1.00 0.00 O ATOM 0 H GLU A 5 9.625 5.414 7.888 1.00 0.00 H new ATOM 0 HA GLU A 5 8.766 3.910 10.150 1.00 0.00 H new ATOM 0 HB2 GLU A 5 6.735 5.027 9.741 1.00 0.00 H new ATOM 0 HB3 GLU A 5 8.005 6.166 9.342 1.00 0.00 H new ATOM 0 HG2 GLU A 5 7.639 5.225 6.876 1.00 0.00 H new ATOM 0 HG3 GLU A 5 6.078 4.746 7.514 1.00 0.00 H new ATOM 76 N LEU A 6 8.001 2.677 7.204 1.00 0.00 N ATOM 77 CA LEU A 6 7.507 1.517 6.475 1.00 0.00 C ATOM 78 C LEU A 6 8.559 0.441 6.284 1.00 0.00 C ATOM 79 O LEU A 6 8.246 -0.674 5.884 1.00 0.00 O ATOM 80 CB LEU A 6 7.086 2.026 5.104 1.00 0.00 C ATOM 81 CG LEU A 6 5.734 2.751 5.126 1.00 0.00 C ATOM 82 CD1 LEU A 6 5.562 3.450 3.784 1.00 0.00 C ATOM 83 CD2 LEU A 6 4.545 1.857 5.511 1.00 0.00 C ATOM 0 H LEU A 6 8.279 3.443 6.590 1.00 0.00 H new ATOM 0 HA LEU A 6 6.694 1.063 7.041 1.00 0.00 H new ATOM 0 HB2 LEU A 6 7.850 2.704 4.723 1.00 0.00 H new ATOM 0 HB3 LEU A 6 7.031 1.186 4.411 1.00 0.00 H new ATOM 0 HG LEU A 6 5.741 3.490 5.927 1.00 0.00 H new ATOM 0 HD11 LEU A 6 4.608 3.976 3.768 1.00 0.00 H new ATOM 0 HD12 LEU A 6 6.373 4.164 3.639 1.00 0.00 H new ATOM 0 HD13 LEU A 6 5.582 2.711 2.983 1.00 0.00 H new ATOM 0 HD21 LEU A 6 3.628 2.447 5.502 1.00 0.00 H new ATOM 0 HD22 LEU A 6 4.457 1.040 4.795 1.00 0.00 H new ATOM 0 HD23 LEU A 6 4.705 1.449 6.509 1.00 0.00 H new ATOM 95 N ARG A 7 9.824 0.766 6.513 1.00 0.00 N ATOM 96 CA ARG A 7 10.901 -0.179 6.623 1.00 0.00 C ATOM 97 C ARG A 7 10.971 -0.731 8.055 1.00 0.00 C ATOM 98 O ARG A 7 11.741 -1.657 8.295 1.00 0.00 O ATOM 99 CB ARG A 7 12.136 0.610 6.147 1.00 0.00 C ATOM 100 CG ARG A 7 13.466 -0.061 6.433 1.00 0.00 C ATOM 101 CD ARG A 7 14.009 0.318 7.823 1.00 0.00 C ATOM 102 NE ARG A 7 14.557 -0.842 8.543 1.00 0.00 N ATOM 103 CZ ARG A 7 15.796 -0.974 9.028 1.00 0.00 C ATOM 104 NH1 ARG A 7 16.693 0.001 8.870 1.00 0.00 N ATOM 105 NH2 ARG A 7 16.137 -2.076 9.678 1.00 0.00 N ATOM 0 H ARG A 7 10.128 1.733 6.630 1.00 0.00 H new ATOM 0 HA ARG A 7 10.793 -1.078 6.016 1.00 0.00 H new ATOM 0 HB2 ARG A 7 12.052 0.776 5.073 1.00 0.00 H new ATOM 0 HB3 ARG A 7 12.129 1.591 6.623 1.00 0.00 H new ATOM 0 HG2 ARG A 7 13.348 -1.143 6.371 1.00 0.00 H new ATOM 0 HG3 ARG A 7 14.189 0.225 5.669 1.00 0.00 H new ATOM 0 HD2 ARG A 7 14.786 1.075 7.713 1.00 0.00 H new ATOM 0 HD3 ARG A 7 13.209 0.765 8.414 1.00 0.00 H new ATOM 0 HE ARG A 7 13.925 -1.629 8.688 1.00 0.00 H new ATOM 0 HH11 ARG A 7 16.436 0.856 8.376 1.00 0.00 H new ATOM 0 HH12 ARG A 7 17.636 -0.108 9.243 1.00 0.00 H new ATOM 0 HH21 ARG A 7 15.455 -2.823 9.808 1.00 0.00 H new ATOM 0 HH22 ARG A 7 17.082 -2.178 10.048 1.00 0.00 H new ATOM 119 N ASN A 8 10.211 -0.158 8.988 1.00 0.00 N ATOM 120 CA ASN A 8 10.385 -0.393 10.420 1.00 0.00 C ATOM 121 C ASN A 8 9.597 -1.598 10.928 1.00 0.00 C ATOM 122 O ASN A 8 9.915 -2.093 12.007 1.00 0.00 O ATOM 123 CB ASN A 8 9.951 0.857 11.201 1.00 0.00 C ATOM 124 CG ASN A 8 10.693 1.022 12.511 1.00 0.00 C ATOM 125 OD1 ASN A 8 11.920 1.092 12.544 1.00 0.00 O ATOM 126 ND2 ASN A 8 9.984 1.233 13.595 1.00 0.00 N ATOM 0 H ASN A 8 9.452 0.487 8.769 1.00 0.00 H new ATOM 0 HA ASN A 8 11.442 -0.606 10.580 1.00 0.00 H new ATOM 0 HB2 ASN A 8 10.115 1.740 10.583 1.00 0.00 H new ATOM 0 HB3 ASN A 8 8.881 0.801 11.400 1.00 0.00 H new ATOM 0 HD21 ASN A 8 10.451 1.457 14.474 1.00 0.00 H new ATOM 0 HD22 ASN A 8 8.966 1.173 13.559 1.00 0.00 H new ATOM 133 N TYR A 9 8.577 -2.057 10.189 1.00 0.00 N ATOM 134 CA TYR A 9 7.739 -3.166 10.567 1.00 0.00 C ATOM 135 C TYR A 9 8.551 -4.475 10.516 1.00 0.00 C ATOM 136 O TYR A 9 9.653 -4.512 9.957 1.00 0.00 O ATOM 137 CB TYR A 9 6.434 -3.089 9.748 1.00 0.00 C ATOM 138 CG TYR A 9 5.567 -1.879 10.021 1.00 0.00 C ATOM 139 CD1 TYR A 9 4.670 -1.866 11.100 1.00 0.00 C ATOM 140 CD2 TYR A 9 5.627 -0.775 9.148 1.00 0.00 C ATOM 141 CE1 TYR A 9 3.866 -0.737 11.336 1.00 0.00 C ATOM 142 CE2 TYR A 9 4.803 0.344 9.358 1.00 0.00 C ATOM 143 CZ TYR A 9 3.922 0.368 10.459 1.00 0.00 C ATOM 144 OH TYR A 9 3.106 1.440 10.655 1.00 0.00 O ATOM 0 H TYR A 9 8.319 -1.646 9.292 1.00 0.00 H new ATOM 0 HA TYR A 9 7.409 -3.129 11.605 1.00 0.00 H new ATOM 0 HB2 TYR A 9 6.689 -3.101 8.688 1.00 0.00 H new ATOM 0 HB3 TYR A 9 5.848 -3.987 9.945 1.00 0.00 H new ATOM 0 HD1 TYR A 9 4.597 -2.725 11.751 1.00 0.00 H new ATOM 0 HD2 TYR A 9 6.311 -0.789 8.312 1.00 0.00 H new ATOM 0 HE1 TYR A 9 3.205 -0.715 12.189 1.00 0.00 H new ATOM 0 HE2 TYR A 9 4.844 1.183 8.679 1.00 0.00 H new ATOM 0 HH TYR A 9 3.275 2.111 9.961 1.00 0.00 H new ATOM 154 N THR A 10 8.063 -5.547 11.135 1.00 0.00 N ATOM 155 CA THR A 10 8.710 -6.854 11.088 1.00 0.00 C ATOM 156 C THR A 10 8.350 -7.591 9.805 1.00 0.00 C ATOM 157 O THR A 10 7.398 -7.200 9.148 1.00 0.00 O ATOM 158 CB THR A 10 8.270 -7.702 12.273 1.00 0.00 C ATOM 159 OG1 THR A 10 6.901 -8.047 12.210 1.00 0.00 O ATOM 160 CG2 THR A 10 8.512 -6.989 13.605 1.00 0.00 C ATOM 0 H THR A 10 7.204 -5.533 11.685 1.00 0.00 H new ATOM 0 HA THR A 10 9.787 -6.692 11.123 1.00 0.00 H new ATOM 0 HB THR A 10 8.876 -8.607 12.218 1.00 0.00 H new ATOM 0 HG1 THR A 10 6.665 -8.592 12.989 1.00 0.00 H new ATOM 0 HG21 THR A 10 8.184 -7.628 14.425 1.00 0.00 H new ATOM 0 HG22 THR A 10 9.575 -6.774 13.715 1.00 0.00 H new ATOM 0 HG23 THR A 10 7.949 -6.056 13.626 1.00 0.00 H new ATOM 168 N ASP A 11 9.032 -8.688 9.459 1.00 0.00 N ATOM 169 CA ASP A 11 8.755 -9.429 8.221 1.00 0.00 C ATOM 170 C ASP A 11 7.268 -9.742 8.077 1.00 0.00 C ATOM 171 O ASP A 11 6.729 -9.572 6.984 1.00 0.00 O ATOM 172 CB ASP A 11 9.572 -10.724 8.128 1.00 0.00 C ATOM 173 CG ASP A 11 11.031 -10.469 7.775 1.00 0.00 C ATOM 174 OD1 ASP A 11 11.326 -9.975 6.672 1.00 0.00 O ATOM 175 OD2 ASP A 11 11.922 -10.662 8.634 1.00 0.00 O ATOM 0 H ASP A 11 9.784 -9.085 10.022 1.00 0.00 H new ATOM 0 HA ASP A 11 9.057 -8.779 7.400 1.00 0.00 H new ATOM 0 HB2 ASP A 11 9.519 -11.252 9.080 1.00 0.00 H new ATOM 0 HB3 ASP A 11 9.128 -11.376 7.376 1.00 0.00 H new ATOM 180 N GLU A 12 6.621 -10.132 9.180 1.00 0.00 N ATOM 181 CA GLU A 12 5.191 -10.384 9.264 1.00 0.00 C ATOM 182 C GLU A 12 4.352 -9.103 9.226 1.00 0.00 C ATOM 183 O GLU A 12 3.323 -9.060 8.552 1.00 0.00 O ATOM 184 CB GLU A 12 4.878 -11.131 10.565 1.00 0.00 C ATOM 185 CG GLU A 12 5.418 -12.564 10.630 1.00 0.00 C ATOM 186 CD GLU A 12 6.690 -12.696 11.471 1.00 0.00 C ATOM 187 OE1 GLU A 12 6.601 -12.737 12.721 1.00 0.00 O ATOM 188 OE2 GLU A 12 7.782 -12.932 10.903 1.00 0.00 O ATOM 0 H GLU A 12 7.102 -10.284 10.067 1.00 0.00 H new ATOM 0 HA GLU A 12 4.927 -10.979 8.390 1.00 0.00 H new ATOM 0 HB2 GLU A 12 5.289 -10.565 11.401 1.00 0.00 H new ATOM 0 HB3 GLU A 12 3.797 -11.159 10.700 1.00 0.00 H new ATOM 0 HG2 GLU A 12 4.649 -13.216 11.043 1.00 0.00 H new ATOM 0 HG3 GLU A 12 5.622 -12.914 9.618 1.00 0.00 H new ATOM 195 N GLU A 13 4.716 -8.075 9.990 1.00 0.00 N ATOM 196 CA GLU A 13 3.942 -6.836 10.064 1.00 0.00 C ATOM 197 C GLU A 13 3.977 -6.105 8.728 1.00 0.00 C ATOM 198 O GLU A 13 2.965 -5.565 8.309 1.00 0.00 O ATOM 199 CB GLU A 13 4.497 -5.945 11.176 1.00 0.00 C ATOM 200 CG GLU A 13 3.993 -6.343 12.567 1.00 0.00 C ATOM 201 CD GLU A 13 2.921 -5.371 13.053 1.00 0.00 C ATOM 202 OE1 GLU A 13 3.294 -4.219 13.370 1.00 0.00 O ATOM 203 OE2 GLU A 13 1.722 -5.729 13.098 1.00 0.00 O ATOM 0 H GLU A 13 5.553 -8.076 10.574 1.00 0.00 H new ATOM 0 HA GLU A 13 2.904 -7.080 10.291 1.00 0.00 H new ATOM 0 HB2 GLU A 13 5.586 -5.992 11.163 1.00 0.00 H new ATOM 0 HB3 GLU A 13 4.220 -4.910 10.977 1.00 0.00 H new ATOM 0 HG2 GLU A 13 3.587 -7.354 12.536 1.00 0.00 H new ATOM 0 HG3 GLU A 13 4.825 -6.355 13.271 1.00 0.00 H new ATOM 210 N LEU A 14 5.121 -6.115 8.043 1.00 0.00 N ATOM 211 CA LEU A 14 5.382 -5.475 6.771 1.00 0.00 C ATOM 212 C LEU A 14 4.356 -6.000 5.789 1.00 0.00 C ATOM 213 O LEU A 14 3.490 -5.233 5.389 1.00 0.00 O ATOM 214 CB LEU A 14 6.833 -5.734 6.304 1.00 0.00 C ATOM 215 CG LEU A 14 7.918 -5.044 7.151 1.00 0.00 C ATOM 216 CD1 LEU A 14 9.276 -5.744 7.071 1.00 0.00 C ATOM 217 CD2 LEU A 14 8.140 -3.573 6.836 1.00 0.00 C ATOM 0 H LEU A 14 5.942 -6.608 8.395 1.00 0.00 H new ATOM 0 HA LEU A 14 5.291 -4.392 6.852 1.00 0.00 H new ATOM 0 HB2 LEU A 14 7.015 -6.809 6.311 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.932 -5.401 5.271 1.00 0.00 H new ATOM 0 HG LEU A 14 7.509 -5.121 8.158 1.00 0.00 H new ATOM 0 HD11 LEU A 14 9.998 -5.210 7.689 1.00 0.00 H new ATOM 0 HD12 LEU A 14 9.179 -6.769 7.430 1.00 0.00 H new ATOM 0 HD13 LEU A 14 9.620 -5.753 6.037 1.00 0.00 H new ATOM 0 HD21 LEU A 14 8.922 -3.176 7.483 1.00 0.00 H new ATOM 0 HD22 LEU A 14 8.442 -3.466 5.794 1.00 0.00 H new ATOM 0 HD23 LEU A 14 7.215 -3.021 7.004 1.00 0.00 H new ATOM 229 N LYS A 15 4.373 -7.287 5.429 1.00 0.00 N ATOM 230 CA LYS A 15 3.395 -7.840 4.510 1.00 0.00 C ATOM 231 C LYS A 15 2.006 -7.456 4.955 1.00 0.00 C ATOM 232 O LYS A 15 1.292 -6.863 4.171 1.00 0.00 O ATOM 233 CB LYS A 15 3.515 -9.355 4.357 1.00 0.00 C ATOM 234 CG LYS A 15 3.570 -10.131 5.683 1.00 0.00 C ATOM 235 CD LYS A 15 3.611 -11.650 5.475 1.00 0.00 C ATOM 236 CE LYS A 15 2.248 -12.250 5.849 1.00 0.00 C ATOM 237 NZ LYS A 15 2.245 -13.727 5.842 1.00 0.00 N ATOM 0 H LYS A 15 5.060 -7.961 5.766 1.00 0.00 H new ATOM 0 HA LYS A 15 3.595 -7.417 3.526 1.00 0.00 H new ATOM 0 HB2 LYS A 15 2.667 -9.716 3.775 1.00 0.00 H new ATOM 0 HB3 LYS A 15 4.414 -9.579 3.783 1.00 0.00 H new ATOM 0 HG2 LYS A 15 4.451 -9.821 6.245 1.00 0.00 H new ATOM 0 HG3 LYS A 15 2.700 -9.874 6.287 1.00 0.00 H new ATOM 0 HD2 LYS A 15 3.850 -11.880 4.437 1.00 0.00 H new ATOM 0 HD3 LYS A 15 4.396 -12.092 6.088 1.00 0.00 H new ATOM 0 HE2 LYS A 15 1.961 -11.896 6.839 1.00 0.00 H new ATOM 0 HE3 LYS A 15 1.494 -11.888 5.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 1.299 -14.073 6.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 2.490 -14.070 4.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 2.943 -14.079 6.528 1.00 0.00 H new ATOM 251 N ASN A 16 1.650 -7.683 6.212 1.00 0.00 N ATOM 252 CA ASN A 16 0.277 -7.537 6.664 1.00 0.00 C ATOM 253 C ASN A 16 -0.220 -6.087 6.664 1.00 0.00 C ATOM 254 O ASN A 16 -1.417 -5.827 6.793 1.00 0.00 O ATOM 255 CB ASN A 16 0.210 -8.135 8.063 1.00 0.00 C ATOM 256 CG ASN A 16 -1.229 -8.478 8.435 1.00 0.00 C ATOM 257 OD1 ASN A 16 -1.837 -9.340 7.800 1.00 0.00 O ATOM 258 ND2 ASN A 16 -1.784 -7.877 9.466 1.00 0.00 N ATOM 0 H ASN A 16 2.302 -7.972 6.942 1.00 0.00 H new ATOM 0 HA ASN A 16 -0.383 -8.055 5.969 1.00 0.00 H new ATOM 0 HB2 ASN A 16 0.827 -9.033 8.110 1.00 0.00 H new ATOM 0 HB3 ASN A 16 0.619 -7.429 8.786 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -2.732 -8.123 9.750 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -1.266 -7.165 9.981 1.00 0.00 H new ATOM 265 N LEU A 17 0.702 -5.145 6.483 1.00 0.00 N ATOM 266 CA LEU A 17 0.457 -3.712 6.380 1.00 0.00 C ATOM 267 C LEU A 17 0.413 -3.334 4.905 1.00 0.00 C ATOM 268 O LEU A 17 -0.444 -2.564 4.478 1.00 0.00 O ATOM 269 CB LEU A 17 1.607 -2.941 7.068 1.00 0.00 C ATOM 270 CG LEU A 17 1.478 -2.562 8.559 1.00 0.00 C ATOM 271 CD1 LEU A 17 1.087 -1.090 8.709 1.00 0.00 C ATOM 272 CD2 LEU A 17 0.510 -3.441 9.353 1.00 0.00 C ATOM 0 H LEU A 17 1.692 -5.375 6.400 1.00 0.00 H new ATOM 0 HA LEU A 17 -0.487 -3.459 6.864 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.512 -3.538 6.959 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.764 -2.019 6.508 1.00 0.00 H new ATOM 0 HG LEU A 17 2.465 -2.736 8.987 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.001 -0.842 9.767 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.851 -0.462 8.250 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.130 -0.916 8.217 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.480 -3.105 10.390 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.487 -3.368 8.919 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.846 -4.477 9.317 1.00 0.00 H new ATOM 284 N LEU A 18 1.378 -3.804 4.122 1.00 0.00 N ATOM 285 CA LEU A 18 1.583 -3.382 2.753 1.00 0.00 C ATOM 286 C LEU A 18 0.588 -4.073 1.839 1.00 0.00 C ATOM 287 O LEU A 18 0.097 -3.461 0.887 1.00 0.00 O ATOM 288 CB LEU A 18 3.021 -3.684 2.278 1.00 0.00 C ATOM 289 CG LEU A 18 4.232 -3.381 3.196 1.00 0.00 C ATOM 290 CD1 LEU A 18 5.420 -2.909 2.387 1.00 0.00 C ATOM 291 CD2 LEU A 18 4.033 -2.368 4.338 1.00 0.00 C ATOM 0 H LEU A 18 2.051 -4.504 4.434 1.00 0.00 H new ATOM 0 HA LEU A 18 1.430 -2.304 2.712 1.00 0.00 H new ATOM 0 HB2 LEU A 18 3.062 -4.745 2.031 1.00 0.00 H new ATOM 0 HB3 LEU A 18 3.175 -3.134 1.350 1.00 0.00 H new ATOM 0 HG LEU A 18 4.388 -4.347 3.677 1.00 0.00 H new ATOM 0 HD11 LEU A 18 6.256 -2.703 3.055 1.00 0.00 H new ATOM 0 HD12 LEU A 18 5.706 -3.683 1.675 1.00 0.00 H new ATOM 0 HD13 LEU A 18 5.155 -2.000 1.847 1.00 0.00 H new ATOM 0 HD21 LEU A 18 4.964 -2.259 4.894 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.743 -1.403 3.922 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.250 -2.724 5.008 1.00 0.00 H new ATOM 303 N GLU A 19 0.279 -5.326 2.161 1.00 0.00 N ATOM 304 CA GLU A 19 -0.798 -6.089 1.571 1.00 0.00 C ATOM 305 C GLU A 19 -2.118 -5.343 1.790 1.00 0.00 C ATOM 306 O GLU A 19 -2.933 -5.304 0.874 1.00 0.00 O ATOM 307 CB GLU A 19 -0.759 -7.535 2.117 1.00 0.00 C ATOM 308 CG GLU A 19 -1.503 -7.797 3.430 1.00 0.00 C ATOM 309 CD GLU A 19 -3.002 -8.001 3.147 1.00 0.00 C ATOM 310 OE1 GLU A 19 -3.352 -8.922 2.364 1.00 0.00 O ATOM 311 OE2 GLU A 19 -3.834 -7.281 3.721 1.00 0.00 O ATOM 0 H GLU A 19 0.796 -5.850 2.867 1.00 0.00 H new ATOM 0 HA GLU A 19 -0.689 -6.184 0.491 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -1.171 -8.197 1.355 1.00 0.00 H new ATOM 0 HB3 GLU A 19 0.284 -7.818 2.255 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -1.093 -8.679 3.921 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -1.363 -6.958 4.112 1.00 0.00 H new ATOM 318 N GLU A 20 -2.293 -4.697 2.954 1.00 0.00 N ATOM 319 CA GLU A 20 -3.518 -3.999 3.320 1.00 0.00 C ATOM 320 C GLU A 20 -3.721 -2.813 2.377 1.00 0.00 C ATOM 321 O GLU A 20 -4.760 -2.707 1.743 1.00 0.00 O ATOM 322 CB GLU A 20 -3.512 -3.584 4.804 1.00 0.00 C ATOM 323 CG GLU A 20 -4.866 -3.051 5.304 1.00 0.00 C ATOM 324 CD GLU A 20 -5.998 -4.070 5.156 1.00 0.00 C ATOM 325 OE1 GLU A 20 -5.902 -5.161 5.758 1.00 0.00 O ATOM 326 OE2 GLU A 20 -6.984 -3.766 4.443 1.00 0.00 O ATOM 0 H GLU A 20 -1.571 -4.649 3.673 1.00 0.00 H new ATOM 0 HA GLU A 20 -4.367 -4.674 3.207 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -3.223 -4.442 5.411 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -2.752 -2.817 4.954 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -4.774 -2.767 6.352 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -5.122 -2.148 4.750 1.00 0.00 H new ATOM 333 N LYS A 21 -2.729 -1.938 2.194 1.00 0.00 N ATOM 334 CA LYS A 21 -2.753 -0.859 1.233 1.00 0.00 C ATOM 335 C LYS A 21 -3.042 -1.461 -0.143 1.00 0.00 C ATOM 336 O LYS A 21 -4.030 -1.081 -0.773 1.00 0.00 O ATOM 337 CB LYS A 21 -1.417 -0.096 1.363 1.00 0.00 C ATOM 338 CG LYS A 21 -1.169 0.492 2.769 1.00 0.00 C ATOM 339 CD LYS A 21 -2.169 1.514 3.328 1.00 0.00 C ATOM 340 CE LYS A 21 -1.997 2.937 2.772 1.00 0.00 C ATOM 341 NZ LYS A 21 -2.761 3.897 3.594 1.00 0.00 N ATOM 0 H LYS A 21 -1.864 -1.972 2.734 1.00 0.00 H new ATOM 0 HA LYS A 21 -3.540 -0.125 1.404 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -0.598 -0.770 1.112 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -1.399 0.713 0.633 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -1.120 -0.340 3.471 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -0.185 0.962 2.762 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -3.181 1.171 3.110 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -2.070 1.546 4.413 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -0.942 3.209 2.767 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -2.341 2.976 1.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -2.639 4.856 3.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -3.769 3.643 3.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -2.413 3.869 4.574 1.00 0.00 H new ATOM 355 N LYS A 22 -2.205 -2.385 -0.637 1.00 0.00 N ATOM 356 CA LYS A 22 -2.404 -3.038 -1.933 1.00 0.00 C ATOM 357 C LYS A 22 -3.847 -3.501 -2.136 1.00 0.00 C ATOM 358 O LYS A 22 -4.387 -3.170 -3.196 1.00 0.00 O ATOM 359 CB LYS A 22 -1.362 -4.165 -2.082 1.00 0.00 C ATOM 360 CG LYS A 22 -1.434 -5.002 -3.372 1.00 0.00 C ATOM 361 CD LYS A 22 -2.522 -6.096 -3.338 1.00 0.00 C ATOM 362 CE LYS A 22 -2.241 -7.276 -4.276 1.00 0.00 C ATOM 363 NZ LYS A 22 -1.109 -8.102 -3.813 1.00 0.00 N ATOM 0 H LYS A 22 -1.369 -2.699 -0.145 1.00 0.00 H new ATOM 0 HA LYS A 22 -2.242 -2.318 -2.735 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -0.368 -3.721 -2.018 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -1.465 -4.839 -1.232 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -1.624 -4.338 -4.216 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -0.465 -5.470 -3.546 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -2.618 -6.469 -2.318 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -3.480 -5.651 -3.606 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -3.134 -7.897 -4.353 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -2.028 -6.899 -5.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -1.063 -8.975 -4.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -0.222 -7.570 -3.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -1.243 -8.344 -2.811 1.00 0.00 H new ATOM 377 N ARG A 23 -4.460 -4.229 -1.193 1.00 0.00 N ATOM 378 CA ARG A 23 -5.870 -4.586 -1.313 1.00 0.00 C ATOM 379 C ARG A 23 -6.703 -3.322 -1.307 1.00 0.00 C ATOM 380 O ARG A 23 -7.404 -3.113 -2.285 1.00 0.00 O ATOM 381 CB ARG A 23 -6.357 -5.637 -0.291 1.00 0.00 C ATOM 382 CG ARG A 23 -6.352 -5.250 1.188 1.00 0.00 C ATOM 383 CD ARG A 23 -6.765 -6.372 2.140 1.00 0.00 C ATOM 384 NE ARG A 23 -8.157 -6.817 1.962 1.00 0.00 N ATOM 385 CZ ARG A 23 -8.652 -7.967 2.433 1.00 0.00 C ATOM 386 NH1 ARG A 23 -7.920 -8.743 3.222 1.00 0.00 N ATOM 387 NH2 ARG A 23 -9.899 -8.317 2.144 1.00 0.00 N ATOM 0 H ARG A 23 -4.003 -4.576 -0.350 1.00 0.00 H new ATOM 0 HA ARG A 23 -5.998 -5.096 -2.268 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -7.375 -5.919 -0.560 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -5.739 -6.527 -0.406 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -5.352 -4.912 1.458 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -7.024 -4.404 1.331 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -6.100 -7.223 1.995 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -6.630 -6.033 3.167 1.00 0.00 H new ATOM 0 HE ARG A 23 -8.788 -6.206 1.443 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -6.972 -8.464 3.474 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -8.306 -9.618 3.577 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -10.478 -7.710 1.564 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -10.279 -9.193 2.502 1.00 0.00 H new ATOM 401 N GLN A 24 -6.630 -2.472 -0.278 1.00 0.00 N ATOM 402 CA GLN A 24 -7.495 -1.336 -0.046 1.00 0.00 C ATOM 403 C GLN A 24 -7.687 -0.517 -1.296 1.00 0.00 C ATOM 404 O GLN A 24 -8.817 -0.157 -1.576 1.00 0.00 O ATOM 405 CB GLN A 24 -6.926 -0.416 1.034 1.00 0.00 C ATOM 406 CG GLN A 24 -7.277 -0.840 2.462 1.00 0.00 C ATOM 407 CD GLN A 24 -7.506 0.291 3.461 1.00 0.00 C ATOM 408 OE1 GLN A 24 -7.587 1.468 3.105 1.00 0.00 O ATOM 409 NE2 GLN A 24 -7.612 -0.050 4.734 1.00 0.00 N ATOM 0 H GLN A 24 -5.923 -2.573 0.450 1.00 0.00 H new ATOM 0 HA GLN A 24 -8.453 -1.745 0.276 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -5.841 -0.381 0.933 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -7.294 0.596 0.866 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -8.177 -1.454 2.426 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -6.474 -1.473 2.839 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -7.542 -1.030 5.007 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -7.764 0.667 5.443 1.00 0.00 H new ATOM 418 N LEU A 25 -6.642 -0.232 -2.073 1.00 0.00 N ATOM 419 CA LEU A 25 -6.845 0.469 -3.333 1.00 0.00 C ATOM 420 C LEU A 25 -7.872 -0.256 -4.200 1.00 0.00 C ATOM 421 O LEU A 25 -8.857 0.339 -4.646 1.00 0.00 O ATOM 422 CB LEU A 25 -5.499 0.612 -4.035 1.00 0.00 C ATOM 423 CG LEU A 25 -5.485 1.110 -5.490 1.00 0.00 C ATOM 424 CD1 LEU A 25 -5.771 0.054 -6.564 1.00 0.00 C ATOM 425 CD2 LEU A 25 -6.410 2.317 -5.641 1.00 0.00 C ATOM 0 H LEU A 25 -5.674 -0.469 -1.858 1.00 0.00 H new ATOM 0 HA LEU A 25 -7.248 1.464 -3.145 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.887 1.294 -3.444 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -5.007 -0.360 -4.012 1.00 0.00 H new ATOM 0 HG LEU A 25 -4.451 1.398 -5.679 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -5.735 0.518 -7.549 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -5.021 -0.735 -6.507 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -6.760 -0.373 -6.400 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -6.393 2.662 -6.675 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -7.427 2.032 -5.370 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -6.071 3.119 -4.985 1.00 0.00 H new ATOM 437 N MET A 26 -7.630 -1.537 -4.448 1.00 0.00 N ATOM 438 CA MET A 26 -8.514 -2.356 -5.257 1.00 0.00 C ATOM 439 C MET A 26 -9.924 -2.509 -4.654 1.00 0.00 C ATOM 440 O MET A 26 -10.839 -2.858 -5.405 1.00 0.00 O ATOM 441 CB MET A 26 -7.886 -3.739 -5.475 1.00 0.00 C ATOM 442 CG MET A 26 -6.486 -3.693 -6.100 1.00 0.00 C ATOM 443 SD MET A 26 -5.720 -5.309 -6.414 1.00 0.00 S ATOM 444 CE MET A 26 -6.828 -5.988 -7.672 1.00 0.00 C ATOM 0 H MET A 26 -6.814 -2.035 -4.092 1.00 0.00 H new ATOM 0 HA MET A 26 -8.636 -1.841 -6.210 1.00 0.00 H new ATOM 0 HB2 MET A 26 -7.829 -4.257 -4.517 1.00 0.00 H new ATOM 0 HB3 MET A 26 -8.541 -4.328 -6.117 1.00 0.00 H new ATOM 0 HG2 MET A 26 -6.545 -3.149 -7.042 1.00 0.00 H new ATOM 0 HG3 MET A 26 -5.831 -3.121 -5.442 1.00 0.00 H new ATOM 0 HE1 MET A 26 -6.375 -6.874 -8.116 1.00 0.00 H new ATOM 0 HE2 MET A 26 -7.779 -6.258 -7.212 1.00 0.00 H new ATOM 0 HE3 MET A 26 -6.999 -5.241 -8.447 1.00 0.00 H new ATOM 454 N GLU A 27 -10.127 -2.223 -3.359 1.00 0.00 N ATOM 455 CA GLU A 27 -11.392 -2.456 -2.641 1.00 0.00 C ATOM 456 C GLU A 27 -12.109 -1.133 -2.336 1.00 0.00 C ATOM 457 O GLU A 27 -13.311 -1.090 -2.091 1.00 0.00 O ATOM 458 CB GLU A 27 -11.207 -3.272 -1.344 1.00 0.00 C ATOM 459 CG GLU A 27 -10.025 -4.249 -1.366 1.00 0.00 C ATOM 460 CD GLU A 27 -10.219 -5.563 -0.631 1.00 0.00 C ATOM 461 OE1 GLU A 27 -10.263 -5.566 0.620 1.00 0.00 O ATOM 462 OE2 GLU A 27 -10.218 -6.612 -1.314 1.00 0.00 O ATOM 0 H GLU A 27 -9.402 -1.815 -2.768 1.00 0.00 H new ATOM 0 HA GLU A 27 -12.013 -3.052 -3.310 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -11.074 -2.581 -0.512 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -12.121 -3.833 -1.150 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -9.786 -4.472 -2.406 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -9.157 -3.745 -0.940 1.00 0.00 H new ATOM 469 N LEU A 28 -11.386 -0.019 -2.380 1.00 0.00 N ATOM 470 CA LEU A 28 -11.908 1.336 -2.375 1.00 0.00 C ATOM 471 C LEU A 28 -12.468 1.602 -3.757 1.00 0.00 C ATOM 472 O LEU A 28 -13.633 1.972 -3.898 1.00 0.00 O ATOM 473 CB LEU A 28 -10.798 2.340 -2.005 1.00 0.00 C ATOM 474 CG LEU A 28 -10.665 2.707 -0.510 1.00 0.00 C ATOM 475 CD1 LEU A 28 -10.898 1.566 0.483 1.00 0.00 C ATOM 476 CD2 LEU A 28 -9.263 3.268 -0.265 1.00 0.00 C ATOM 0 H LEU A 28 -10.367 -0.042 -2.422 1.00 0.00 H new ATOM 0 HA LEU A 28 -12.693 1.454 -1.628 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -9.845 1.933 -2.342 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -10.968 3.258 -2.567 1.00 0.00 H new ATOM 0 HG LEU A 28 -11.460 3.429 -0.324 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -10.779 1.939 1.500 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -11.907 1.174 0.356 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -10.174 0.772 0.301 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -9.155 3.531 0.787 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -8.519 2.516 -0.529 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -9.114 4.157 -0.879 1.00 0.00 H new ATOM 488 N ARG A 29 -11.674 1.355 -4.804 1.00 0.00 N ATOM 489 CA ARG A 29 -12.154 1.532 -6.173 1.00 0.00 C ATOM 490 C ARG A 29 -13.395 0.672 -6.426 1.00 0.00 C ATOM 491 O ARG A 29 -14.262 1.063 -7.201 1.00 0.00 O ATOM 492 CB ARG A 29 -11.049 1.307 -7.215 1.00 0.00 C ATOM 493 CG ARG A 29 -10.794 -0.174 -7.489 1.00 0.00 C ATOM 494 CD ARG A 29 -9.919 -0.416 -8.720 1.00 0.00 C ATOM 495 NE ARG A 29 -10.063 -1.807 -9.177 1.00 0.00 N ATOM 496 CZ ARG A 29 -11.127 -2.342 -9.802 1.00 0.00 C ATOM 497 NH1 ARG A 29 -12.126 -1.607 -10.280 1.00 0.00 N ATOM 498 NH2 ARG A 29 -11.227 -3.653 -9.934 1.00 0.00 N ATOM 0 H ARG A 29 -10.708 1.036 -4.729 1.00 0.00 H new ATOM 0 HA ARG A 29 -12.452 2.574 -6.290 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -11.326 1.803 -8.146 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -10.127 1.773 -6.868 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -10.316 -0.621 -6.618 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -11.749 -0.682 -7.624 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -10.204 0.269 -9.519 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -8.876 -0.210 -8.481 1.00 0.00 H new ATOM 0 HE ARG A 29 -9.275 -2.430 -9.002 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -12.106 -0.592 -10.180 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -12.913 -2.058 -10.747 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -10.497 -4.260 -9.562 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -12.034 -4.058 -10.408 1.00 0.00 H new ATOM 512 N PHE A 30 -13.489 -0.475 -5.748 1.00 0.00 N ATOM 513 CA PHE A 30 -14.627 -1.361 -5.830 1.00 0.00 C ATOM 514 C PHE A 30 -15.866 -0.648 -5.297 1.00 0.00 C ATOM 515 O PHE A 30 -16.928 -0.799 -5.892 1.00 0.00 O ATOM 516 CB PHE A 30 -14.312 -2.645 -5.051 1.00 0.00 C ATOM 517 CG PHE A 30 -15.456 -3.621 -4.901 1.00 0.00 C ATOM 518 CD1 PHE A 30 -16.459 -3.384 -3.943 1.00 0.00 C ATOM 519 CD2 PHE A 30 -15.505 -4.784 -5.689 1.00 0.00 C ATOM 520 CE1 PHE A 30 -17.536 -4.273 -3.812 1.00 0.00 C ATOM 521 CE2 PHE A 30 -16.573 -5.684 -5.545 1.00 0.00 C ATOM 522 CZ PHE A 30 -17.602 -5.411 -4.627 1.00 0.00 C ATOM 0 H PHE A 30 -12.758 -0.809 -5.120 1.00 0.00 H new ATOM 0 HA PHE A 30 -14.832 -1.637 -6.864 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -13.487 -3.155 -5.547 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -13.963 -2.368 -4.056 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -16.399 -2.514 -3.306 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -14.722 -4.985 -6.405 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -18.312 -4.081 -3.085 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -16.604 -6.585 -6.139 1.00 0.00 H new ATOM 0 HZ PHE A 30 -18.446 -6.080 -4.550 1.00 0.00 H new ATOM 532 N GLN A 31 -15.770 0.151 -4.224 1.00 0.00 N ATOM 533 CA GLN A 31 -16.931 0.773 -3.644 1.00 0.00 C ATOM 534 C GLN A 31 -17.305 1.956 -4.519 1.00 0.00 C ATOM 535 O GLN A 31 -18.465 2.331 -4.547 1.00 0.00 O ATOM 536 CB GLN A 31 -16.625 1.190 -2.201 1.00 0.00 C ATOM 537 CG GLN A 31 -16.648 -0.014 -1.248 1.00 0.00 C ATOM 538 CD GLN A 31 -17.488 0.284 -0.005 1.00 0.00 C ATOM 539 OE1 GLN A 31 -17.081 1.012 0.894 1.00 0.00 O ATOM 540 NE2 GLN A 31 -18.712 -0.215 0.051 1.00 0.00 N ATOM 0 H GLN A 31 -14.893 0.371 -3.753 1.00 0.00 H new ATOM 0 HA GLN A 31 -17.775 0.085 -3.602 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -15.647 1.669 -2.160 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -17.356 1.929 -1.872 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -17.054 -0.883 -1.765 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -15.630 -0.266 -0.951 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -19.051 -0.821 -0.697 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -19.317 0.006 0.842 1.00 0.00 H new ATOM 549 N LEU A 32 -16.364 2.541 -5.258 1.00 0.00 N ATOM 550 CA LEU A 32 -16.649 3.625 -6.182 1.00 0.00 C ATOM 551 C LEU A 32 -17.468 3.094 -7.346 1.00 0.00 C ATOM 552 O LEU A 32 -18.545 3.599 -7.641 1.00 0.00 O ATOM 553 CB LEU A 32 -15.323 4.205 -6.668 1.00 0.00 C ATOM 554 CG LEU A 32 -15.445 5.507 -7.457 1.00 0.00 C ATOM 555 CD1 LEU A 32 -16.113 5.428 -8.835 1.00 0.00 C ATOM 556 CD2 LEU A 32 -16.106 6.591 -6.590 1.00 0.00 C ATOM 0 H LEU A 32 -15.381 2.272 -5.229 1.00 0.00 H new ATOM 0 HA LEU A 32 -17.225 4.409 -5.691 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -14.680 4.378 -5.805 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -14.825 3.463 -7.293 1.00 0.00 H new ATOM 0 HG LEU A 32 -14.414 5.768 -7.696 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -16.135 6.420 -9.286 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -15.548 4.751 -9.475 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -17.132 5.057 -8.725 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -16.188 7.515 -7.162 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -17.100 6.261 -6.290 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -15.499 6.767 -5.702 1.00 0.00 H new ATOM 568 N ALA A 33 -16.941 2.046 -7.970 1.00 0.00 N ATOM 569 CA ALA A 33 -17.576 1.247 -9.003 1.00 0.00 C ATOM 570 C ALA A 33 -18.969 0.786 -8.567 1.00 0.00 C ATOM 571 O ALA A 33 -19.874 0.722 -9.404 1.00 0.00 O ATOM 572 CB ALA A 33 -16.683 0.039 -9.318 1.00 0.00 C ATOM 0 H ALA A 33 -16.001 1.714 -7.752 1.00 0.00 H new ATOM 0 HA ALA A 33 -17.699 1.856 -9.898 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -17.152 -0.568 -10.093 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -15.711 0.387 -9.667 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -16.552 -0.561 -8.418 1.00 0.00 H new ATOM 578 N MET A 34 -19.153 0.468 -7.282 1.00 0.00 N ATOM 579 CA MET A 34 -20.428 0.086 -6.727 1.00 0.00 C ATOM 580 C MET A 34 -21.348 1.284 -6.500 1.00 0.00 C ATOM 581 O MET A 34 -22.566 1.122 -6.457 1.00 0.00 O ATOM 582 CB MET A 34 -20.209 -0.626 -5.393 1.00 0.00 C ATOM 583 CG MET A 34 -19.614 -2.027 -5.503 1.00 0.00 C ATOM 584 SD MET A 34 -20.745 -3.425 -5.303 1.00 0.00 S ATOM 585 CE MET A 34 -21.830 -3.166 -6.719 1.00 0.00 C ATOM 0 H MET A 34 -18.398 0.473 -6.597 1.00 0.00 H new ATOM 0 HA MET A 34 -20.909 -0.574 -7.448 1.00 0.00 H new ATOM 0 HB2 MET A 34 -19.551 -0.015 -4.775 1.00 0.00 H new ATOM 0 HB3 MET A 34 -21.164 -0.692 -4.872 1.00 0.00 H new ATOM 0 HG2 MET A 34 -19.137 -2.116 -6.479 1.00 0.00 H new ATOM 0 HG3 MET A 34 -18.827 -2.119 -4.754 1.00 0.00 H new ATOM 0 HE1 MET A 34 -22.568 -3.967 -6.763 1.00 0.00 H new ATOM 0 HE2 MET A 34 -22.340 -2.208 -6.616 1.00 0.00 H new ATOM 0 HE3 MET A 34 -21.239 -3.166 -7.635 1.00 0.00 H new ATOM 595 N GLY A 35 -20.781 2.476 -6.351 1.00 0.00 N ATOM 596 CA GLY A 35 -21.448 3.742 -6.150 1.00 0.00 C ATOM 597 C GLY A 35 -21.663 3.997 -4.670 1.00 0.00 C ATOM 598 O GLY A 35 -22.775 4.299 -4.242 1.00 0.00 O ATOM 0 H GLY A 35 -19.767 2.582 -6.370 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -20.853 4.547 -6.581 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -22.407 3.742 -6.669 1.00 0.00 H new ATOM 602 N GLN A 36 -20.613 3.825 -3.867 1.00 0.00 N ATOM 603 CA GLN A 36 -20.678 3.861 -2.417 1.00 0.00 C ATOM 604 C GLN A 36 -19.554 4.753 -1.897 1.00 0.00 C ATOM 605 O GLN A 36 -19.811 5.702 -1.159 1.00 0.00 O ATOM 606 CB GLN A 36 -20.563 2.437 -1.844 1.00 0.00 C ATOM 607 CG GLN A 36 -21.503 1.402 -2.470 1.00 0.00 C ATOM 608 CD GLN A 36 -22.936 1.477 -1.948 1.00 0.00 C ATOM 609 OE1 GLN A 36 -23.253 0.953 -0.880 1.00 0.00 O ATOM 610 NE2 GLN A 36 -23.836 2.153 -2.646 1.00 0.00 N ATOM 0 H GLN A 36 -19.672 3.653 -4.222 1.00 0.00 H new ATOM 0 HA GLN A 36 -21.636 4.270 -2.097 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -19.536 2.094 -1.970 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -20.756 2.478 -0.772 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -21.512 1.540 -3.551 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -21.108 0.404 -2.279 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -23.574 2.587 -3.531 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -24.791 2.239 -2.299 1.00 0.00 H new ATOM 619 N LEU A 37 -18.308 4.468 -2.287 1.00 0.00 N ATOM 620 CA LEU A 37 -17.160 5.341 -2.048 1.00 0.00 C ATOM 621 C LEU A 37 -17.437 6.674 -2.725 1.00 0.00 C ATOM 622 O LEU A 37 -17.582 6.727 -3.943 1.00 0.00 O ATOM 623 CB LEU A 37 -15.842 4.663 -2.463 1.00 0.00 C ATOM 624 CG LEU A 37 -14.632 5.600 -2.590 1.00 0.00 C ATOM 625 CD1 LEU A 37 -14.347 6.437 -1.339 1.00 0.00 C ATOM 626 CD2 LEU A 37 -13.354 4.834 -2.897 1.00 0.00 C ATOM 0 H LEU A 37 -18.067 3.611 -2.785 1.00 0.00 H new ATOM 0 HA LEU A 37 -17.025 5.536 -0.984 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -15.606 3.889 -1.733 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -15.995 4.163 -3.419 1.00 0.00 H new ATOM 0 HG LEU A 37 -14.911 6.265 -3.407 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -13.477 7.070 -1.515 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -15.211 7.062 -1.115 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -14.150 5.775 -0.496 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -12.522 5.533 -2.979 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -13.154 4.124 -2.095 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -13.470 4.296 -3.838 1.00 0.00 H new ATOM 638 N LYS A 38 -17.539 7.739 -1.926 1.00 0.00 N ATOM 639 CA LYS A 38 -17.866 9.078 -2.384 1.00 0.00 C ATOM 640 C LYS A 38 -16.746 10.043 -1.986 1.00 0.00 C ATOM 641 O LYS A 38 -17.014 11.195 -1.646 1.00 0.00 O ATOM 642 CB LYS A 38 -19.292 9.463 -1.939 1.00 0.00 C ATOM 643 CG LYS A 38 -19.826 10.730 -2.643 1.00 0.00 C ATOM 644 CD LYS A 38 -21.342 10.898 -2.497 1.00 0.00 C ATOM 645 CE LYS A 38 -22.099 10.057 -3.531 1.00 0.00 C ATOM 646 NZ LYS A 38 -23.562 10.151 -3.370 1.00 0.00 N ATOM 0 H LYS A 38 -17.391 7.685 -0.918 1.00 0.00 H new ATOM 0 HA LYS A 38 -17.907 9.131 -3.472 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -19.966 8.631 -2.141 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -19.299 9.624 -0.861 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -19.327 11.607 -2.230 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -19.570 10.686 -3.702 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -21.647 10.604 -1.493 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -21.607 11.949 -2.616 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -21.825 10.385 -4.533 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -21.793 9.015 -3.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -24.029 9.566 -4.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -23.830 9.813 -2.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -23.861 11.141 -3.481 1.00 0.00 H new ATOM 660 N ASN A 39 -15.477 9.634 -2.078 1.00 0.00 N ATOM 661 CA ASN A 39 -14.385 10.584 -2.279 1.00 0.00 C ATOM 662 C ASN A 39 -13.319 9.981 -3.194 1.00 0.00 C ATOM 663 O ASN A 39 -12.499 9.166 -2.766 1.00 0.00 O ATOM 664 CB ASN A 39 -13.764 11.085 -0.963 1.00 0.00 C ATOM 665 CG ASN A 39 -12.854 12.281 -1.245 1.00 0.00 C ATOM 666 OD1 ASN A 39 -12.686 12.706 -2.384 1.00 0.00 O ATOM 667 ND2 ASN A 39 -12.251 12.872 -0.236 1.00 0.00 N ATOM 0 H ASN A 39 -15.185 8.659 -2.017 1.00 0.00 H new ATOM 0 HA ASN A 39 -14.817 11.462 -2.760 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -14.550 11.371 -0.264 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -13.194 10.285 -0.491 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -11.649 13.678 -0.403 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -12.386 12.524 0.713 1.00 0.00 H new ATOM 674 N THR A 40 -13.318 10.364 -4.469 1.00 0.00 N ATOM 675 CA THR A 40 -12.274 9.954 -5.407 1.00 0.00 C ATOM 676 C THR A 40 -10.882 10.462 -5.002 1.00 0.00 C ATOM 677 O THR A 40 -9.874 9.829 -5.336 1.00 0.00 O ATOM 678 CB THR A 40 -12.628 10.386 -6.840 1.00 0.00 C ATOM 679 OG1 THR A 40 -13.025 11.743 -6.960 1.00 0.00 O ATOM 680 CG2 THR A 40 -13.721 9.497 -7.439 1.00 0.00 C ATOM 0 H THR A 40 -14.035 10.963 -4.879 1.00 0.00 H new ATOM 0 HA THR A 40 -12.228 8.865 -5.375 1.00 0.00 H new ATOM 0 HB THR A 40 -11.697 10.271 -7.396 1.00 0.00 H new ATOM 0 HG1 THR A 40 -13.231 11.942 -7.897 1.00 0.00 H new ATOM 0 HG21 THR A 40 -13.947 9.830 -8.452 1.00 0.00 H new ATOM 0 HG22 THR A 40 -13.376 8.464 -7.466 1.00 0.00 H new ATOM 0 HG23 THR A 40 -14.620 9.563 -6.827 1.00 0.00 H new ATOM 688 N SER A 41 -10.795 11.554 -4.246 1.00 0.00 N ATOM 689 CA SER A 41 -9.531 12.116 -3.793 1.00 0.00 C ATOM 690 C SER A 41 -8.940 11.355 -2.610 1.00 0.00 C ATOM 691 O SER A 41 -7.729 11.418 -2.392 1.00 0.00 O ATOM 692 CB SER A 41 -9.750 13.585 -3.453 1.00 0.00 C ATOM 693 OG SER A 41 -10.403 14.229 -4.528 1.00 0.00 O ATOM 0 H SER A 41 -11.611 12.077 -3.929 1.00 0.00 H new ATOM 0 HA SER A 41 -8.800 12.023 -4.597 1.00 0.00 H new ATOM 0 HB2 SER A 41 -10.348 13.673 -2.546 1.00 0.00 H new ATOM 0 HB3 SER A 41 -8.794 14.069 -3.253 1.00 0.00 H new ATOM 0 HG SER A 41 -10.544 15.173 -4.307 1.00 0.00 H new ATOM 699 N LEU A 42 -9.753 10.563 -1.900 1.00 0.00 N ATOM 700 CA LEU A 42 -9.203 9.534 -1.025 1.00 0.00 C ATOM 701 C LEU A 42 -8.496 8.519 -1.912 1.00 0.00 C ATOM 702 O LEU A 42 -7.323 8.245 -1.685 1.00 0.00 O ATOM 703 CB LEU A 42 -10.276 8.885 -0.142 1.00 0.00 C ATOM 704 CG LEU A 42 -9.787 7.616 0.592 1.00 0.00 C ATOM 705 CD1 LEU A 42 -8.523 7.813 1.442 1.00 0.00 C ATOM 706 CD2 LEU A 42 -10.923 7.142 1.495 1.00 0.00 C ATOM 0 H LEU A 42 -10.772 10.616 -1.916 1.00 0.00 H new ATOM 0 HA LEU A 42 -8.496 9.978 -0.324 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -10.617 9.612 0.595 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -11.137 8.629 -0.759 1.00 0.00 H new ATOM 0 HG LEU A 42 -9.516 6.887 -0.172 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -8.255 6.870 1.919 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -7.703 8.143 0.804 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -8.713 8.566 2.207 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -10.612 6.245 2.030 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -11.169 7.925 2.212 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -11.800 6.917 0.888 1.00 0.00 H new ATOM 718 N ILE A 43 -9.160 8.001 -2.953 1.00 0.00 N ATOM 719 CA ILE A 43 -8.565 7.002 -3.841 1.00 0.00 C ATOM 720 C ILE A 43 -7.208 7.488 -4.361 1.00 0.00 C ATOM 721 O ILE A 43 -6.252 6.725 -4.282 1.00 0.00 O ATOM 722 CB ILE A 43 -9.558 6.552 -4.947 1.00 0.00 C ATOM 723 CG1 ILE A 43 -10.139 5.154 -4.636 1.00 0.00 C ATOM 724 CG2 ILE A 43 -8.968 6.582 -6.367 1.00 0.00 C ATOM 725 CD1 ILE A 43 -9.183 3.971 -4.843 1.00 0.00 C ATOM 0 H ILE A 43 -10.115 8.261 -3.199 1.00 0.00 H new ATOM 0 HA ILE A 43 -8.360 6.095 -3.273 1.00 0.00 H new ATOM 0 HB ILE A 43 -10.360 7.290 -4.935 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -10.479 5.145 -3.600 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -11.018 5.000 -5.261 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -9.723 6.254 -7.082 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -8.655 7.598 -6.610 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -8.107 5.915 -6.417 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -9.695 3.041 -4.595 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -8.861 3.941 -5.884 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -8.313 4.089 -4.197 1.00 0.00 H new ATOM 737 N LYS A 44 -7.073 8.734 -4.830 1.00 0.00 N ATOM 738 CA LYS A 44 -5.804 9.290 -5.284 1.00 0.00 C ATOM 739 C LYS A 44 -4.710 9.159 -4.223 1.00 0.00 C ATOM 740 O LYS A 44 -3.596 8.725 -4.527 1.00 0.00 O ATOM 741 CB LYS A 44 -6.040 10.751 -5.730 1.00 0.00 C ATOM 742 CG LYS A 44 -4.788 11.642 -5.845 1.00 0.00 C ATOM 743 CD LYS A 44 -3.630 11.011 -6.635 1.00 0.00 C ATOM 744 CE LYS A 44 -2.322 11.043 -5.821 1.00 0.00 C ATOM 745 NZ LYS A 44 -1.526 12.267 -6.071 1.00 0.00 N ATOM 0 H LYS A 44 -7.853 9.387 -4.904 1.00 0.00 H new ATOM 0 HA LYS A 44 -5.437 8.720 -6.138 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -6.539 10.736 -6.699 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -6.728 11.217 -5.024 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -5.068 12.581 -6.322 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -4.437 11.886 -4.842 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -3.878 9.981 -6.890 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -3.491 11.547 -7.574 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -2.558 10.978 -4.759 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -1.722 10.167 -6.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -0.657 12.239 -5.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -1.276 12.319 -7.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -2.085 13.104 -5.810 1.00 0.00 H new ATOM 759 N LEU A 45 -4.982 9.527 -2.978 1.00 0.00 N ATOM 760 CA LEU A 45 -4.016 9.506 -1.919 1.00 0.00 C ATOM 761 C LEU A 45 -3.777 8.047 -1.542 1.00 0.00 C ATOM 762 O LEU A 45 -2.666 7.686 -1.172 1.00 0.00 O ATOM 763 CB LEU A 45 -4.604 10.265 -0.747 1.00 0.00 C ATOM 764 CG LEU A 45 -4.457 11.795 -0.812 1.00 0.00 C ATOM 765 CD1 LEU A 45 -4.787 12.315 0.579 1.00 0.00 C ATOM 766 CD2 LEU A 45 -3.059 12.299 -1.206 1.00 0.00 C ATOM 0 H LEU A 45 -5.903 9.853 -2.683 1.00 0.00 H new ATOM 0 HA LEU A 45 -3.072 9.965 -2.213 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.664 10.022 -0.673 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -4.131 9.910 0.168 1.00 0.00 H new ATOM 0 HG LEU A 45 -5.124 12.158 -1.594 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -4.698 13.401 0.592 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -5.806 12.031 0.841 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -4.093 11.886 1.302 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.057 13.389 -1.224 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -2.327 11.947 -0.479 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.801 11.919 -2.195 1.00 0.00 H new ATOM 778 N THR A 46 -4.772 7.170 -1.711 1.00 0.00 N ATOM 779 CA THR A 46 -4.580 5.765 -1.445 1.00 0.00 C ATOM 780 C THR A 46 -3.595 5.261 -2.502 1.00 0.00 C ATOM 781 O THR A 46 -2.552 4.742 -2.151 1.00 0.00 O ATOM 782 CB THR A 46 -5.928 5.011 -1.384 1.00 0.00 C ATOM 783 OG1 THR A 46 -6.935 5.777 -0.757 1.00 0.00 O ATOM 784 CG2 THR A 46 -5.829 3.714 -0.565 1.00 0.00 C ATOM 0 H THR A 46 -5.709 7.419 -2.029 1.00 0.00 H new ATOM 0 HA THR A 46 -4.154 5.580 -0.459 1.00 0.00 H new ATOM 0 HB THR A 46 -6.176 4.804 -2.425 1.00 0.00 H new ATOM 0 HG1 THR A 46 -7.197 6.517 -1.344 1.00 0.00 H new ATOM 0 HG21 THR A 46 -6.800 3.218 -0.550 1.00 0.00 H new ATOM 0 HG22 THR A 46 -5.091 3.053 -1.019 1.00 0.00 H new ATOM 0 HG23 THR A 46 -5.526 3.950 0.455 1.00 0.00 H new ATOM 792 N LYS A 47 -3.821 5.491 -3.799 1.00 0.00 N ATOM 793 CA LYS A 47 -2.944 5.083 -4.901 1.00 0.00 C ATOM 794 C LYS A 47 -1.501 5.519 -4.731 1.00 0.00 C ATOM 795 O LYS A 47 -0.612 4.721 -5.042 1.00 0.00 O ATOM 796 CB LYS A 47 -3.432 5.764 -6.203 1.00 0.00 C ATOM 797 CG LYS A 47 -4.753 5.298 -6.809 1.00 0.00 C ATOM 798 CD LYS A 47 -4.551 4.031 -7.635 1.00 0.00 C ATOM 799 CE LYS A 47 -3.857 4.345 -8.954 1.00 0.00 C ATOM 800 NZ LYS A 47 -2.742 3.443 -9.268 1.00 0.00 N ATOM 0 H LYS A 47 -4.652 5.986 -4.123 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.985 3.994 -4.926 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -3.514 6.833 -6.009 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.656 5.635 -6.957 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -5.476 5.109 -6.016 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -5.168 6.086 -7.438 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -3.956 3.314 -7.069 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -5.515 3.562 -7.830 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -4.590 4.296 -9.760 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -3.486 5.369 -8.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -2.319 3.717 -10.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -2.023 3.506 -8.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -3.093 2.466 -9.330 1.00 0.00 H new ATOM 814 N ARG A 48 -1.244 6.769 -4.339 1.00 0.00 N ATOM 815 CA ARG A 48 0.129 7.246 -4.178 1.00 0.00 C ATOM 816 C ARG A 48 0.833 6.334 -3.175 1.00 0.00 C ATOM 817 O ARG A 48 1.925 5.829 -3.440 1.00 0.00 O ATOM 818 CB ARG A 48 0.136 8.745 -3.795 1.00 0.00 C ATOM 819 CG ARG A 48 0.174 9.017 -2.284 1.00 0.00 C ATOM 820 CD ARG A 48 -0.091 10.448 -1.831 1.00 0.00 C ATOM 821 NE ARG A 48 1.174 11.199 -1.695 1.00 0.00 N ATOM 822 CZ ARG A 48 2.099 11.051 -0.725 1.00 0.00 C ATOM 823 NH1 ARG A 48 1.954 10.180 0.276 1.00 0.00 N ATOM 824 NH2 ARG A 48 3.195 11.798 -0.761 1.00 0.00 N ATOM 0 H ARG A 48 -1.962 7.463 -4.129 1.00 0.00 H new ATOM 0 HA ARG A 48 0.687 7.192 -5.113 1.00 0.00 H new ATOM 0 HB2 ARG A 48 1.000 9.221 -4.259 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -0.752 9.218 -4.214 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -0.560 8.369 -1.805 1.00 0.00 H new ATOM 0 HG3 ARG A 48 1.154 8.720 -1.911 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -0.740 10.947 -2.550 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -0.619 10.440 -0.877 1.00 0.00 H new ATOM 0 HE ARG A 48 1.368 11.902 -2.408 1.00 0.00 H new ATOM 0 HH11 ARG A 48 1.120 9.596 0.327 1.00 0.00 H new ATOM 0 HH12 ARG A 48 2.678 10.099 0.990 1.00 0.00 H new ATOM 0 HH21 ARG A 48 3.328 12.472 -1.515 1.00 0.00 H new ATOM 0 HH22 ARG A 48 3.904 11.698 -0.035 1.00 0.00 H new ATOM 838 N ASP A 49 0.173 6.078 -2.051 1.00 0.00 N ATOM 839 CA ASP A 49 0.707 5.338 -0.938 1.00 0.00 C ATOM 840 C ASP A 49 0.713 3.872 -1.312 1.00 0.00 C ATOM 841 O ASP A 49 1.682 3.192 -1.032 1.00 0.00 O ATOM 842 CB ASP A 49 -0.184 5.570 0.293 1.00 0.00 C ATOM 843 CG ASP A 49 0.204 6.788 1.120 1.00 0.00 C ATOM 844 OD1 ASP A 49 0.432 7.881 0.549 1.00 0.00 O ATOM 845 OD2 ASP A 49 0.242 6.643 2.358 1.00 0.00 O ATOM 0 H ASP A 49 -0.783 6.397 -1.895 1.00 0.00 H new ATOM 0 HA ASP A 49 1.720 5.663 -0.703 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -1.217 5.681 -0.035 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -0.145 4.685 0.928 1.00 0.00 H new ATOM 850 N ILE A 50 -0.279 3.367 -2.040 1.00 0.00 N ATOM 851 CA ILE A 50 -0.286 1.973 -2.463 1.00 0.00 C ATOM 852 C ILE A 50 0.948 1.734 -3.256 1.00 0.00 C ATOM 853 O ILE A 50 1.625 0.754 -3.010 1.00 0.00 O ATOM 854 CB ILE A 50 -1.528 1.545 -3.280 1.00 0.00 C ATOM 855 CG1 ILE A 50 -2.457 0.848 -2.294 1.00 0.00 C ATOM 856 CG2 ILE A 50 -1.307 0.553 -4.446 1.00 0.00 C ATOM 857 CD1 ILE A 50 -3.225 1.876 -1.490 1.00 0.00 C ATOM 0 H ILE A 50 -1.089 3.905 -2.349 1.00 0.00 H new ATOM 0 HA ILE A 50 -0.324 1.365 -1.559 1.00 0.00 H new ATOM 0 HB ILE A 50 -1.900 2.457 -3.747 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -3.151 0.201 -2.831 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -1.879 0.210 -1.626 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -2.261 0.342 -4.929 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -0.622 0.991 -5.172 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -0.883 -0.374 -4.060 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -3.887 1.369 -0.788 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -2.525 2.504 -0.940 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -3.817 2.496 -2.163 1.00 0.00 H new ATOM 869 N ALA A 51 1.232 2.609 -4.203 1.00 0.00 N ATOM 870 CA ALA A 51 2.364 2.415 -5.040 1.00 0.00 C ATOM 871 C ALA A 51 3.632 2.502 -4.198 1.00 0.00 C ATOM 872 O ALA A 51 4.466 1.622 -4.350 1.00 0.00 O ATOM 873 CB ALA A 51 2.228 3.359 -6.217 1.00 0.00 C ATOM 0 H ALA A 51 0.689 3.450 -4.398 1.00 0.00 H new ATOM 0 HA ALA A 51 2.430 1.421 -5.483 1.00 0.00 H new ATOM 0 HB1 ALA A 51 3.083 3.237 -6.882 1.00 0.00 H new ATOM 0 HB2 ALA A 51 1.310 3.134 -6.760 1.00 0.00 H new ATOM 0 HB3 ALA A 51 2.193 4.387 -5.857 1.00 0.00 H new ATOM 879 N ARG A 52 3.748 3.444 -3.252 1.00 0.00 N ATOM 880 CA ARG A 52 4.886 3.541 -2.352 1.00 0.00 C ATOM 881 C ARG A 52 5.112 2.284 -1.524 1.00 0.00 C ATOM 882 O ARG A 52 6.162 1.645 -1.592 1.00 0.00 O ATOM 883 CB ARG A 52 4.801 4.850 -1.568 1.00 0.00 C ATOM 884 CG ARG A 52 4.193 5.075 -0.202 1.00 0.00 C ATOM 885 CD ARG A 52 5.121 4.738 0.962 1.00 0.00 C ATOM 886 NE ARG A 52 5.733 5.915 1.619 1.00 0.00 N ATOM 887 CZ ARG A 52 7.036 6.221 1.663 1.00 0.00 C ATOM 888 NH1 ARG A 52 7.910 5.565 0.908 1.00 0.00 N ATOM 889 NH2 ARG A 52 7.496 7.169 2.467 1.00 0.00 N ATOM 0 H ARG A 52 3.042 4.164 -3.095 1.00 0.00 H new ATOM 0 HA ARG A 52 5.805 3.589 -2.936 1.00 0.00 H new ATOM 0 HB2 ARG A 52 5.830 5.199 -1.483 1.00 0.00 H new ATOM 0 HB3 ARG A 52 4.283 5.545 -2.229 1.00 0.00 H new ATOM 0 HG2 ARG A 52 3.890 6.119 -0.119 1.00 0.00 H new ATOM 0 HG3 ARG A 52 3.288 4.473 -0.116 1.00 0.00 H new ATOM 0 HD2 ARG A 52 4.559 4.173 1.706 1.00 0.00 H new ATOM 0 HD3 ARG A 52 5.916 4.086 0.600 1.00 0.00 H new ATOM 0 HE ARG A 52 5.096 6.560 2.087 1.00 0.00 H new ATOM 0 HH11 ARG A 52 7.591 4.821 0.288 1.00 0.00 H new ATOM 0 HH12 ARG A 52 8.900 5.805 0.948 1.00 0.00 H new ATOM 0 HH21 ARG A 52 6.853 7.683 3.069 1.00 0.00 H new ATOM 0 HH22 ARG A 52 8.493 7.385 2.483 1.00 0.00 H new ATOM 903 N ILE A 53 4.114 1.973 -0.722 1.00 0.00 N ATOM 904 CA ILE A 53 3.998 0.811 0.135 1.00 0.00 C ATOM 905 C ILE A 53 4.198 -0.483 -0.638 1.00 0.00 C ATOM 906 O ILE A 53 5.099 -1.251 -0.322 1.00 0.00 O ATOM 907 CB ILE A 53 2.652 0.887 0.888 1.00 0.00 C ATOM 908 CG1 ILE A 53 2.744 1.912 2.039 1.00 0.00 C ATOM 909 CG2 ILE A 53 2.249 -0.463 1.464 1.00 0.00 C ATOM 910 CD1 ILE A 53 1.641 2.969 2.089 1.00 0.00 C ATOM 0 H ILE A 53 3.295 2.577 -0.647 1.00 0.00 H new ATOM 0 HA ILE A 53 4.797 0.811 0.876 1.00 0.00 H new ATOM 0 HB ILE A 53 1.896 1.196 0.166 1.00 0.00 H new ATOM 0 HG12 ILE A 53 2.741 1.368 2.984 1.00 0.00 H new ATOM 0 HG13 ILE A 53 3.705 2.422 1.968 1.00 0.00 H new ATOM 0 HG21 ILE A 53 1.297 -0.366 1.986 1.00 0.00 H new ATOM 0 HG22 ILE A 53 2.148 -1.188 0.656 1.00 0.00 H new ATOM 0 HG23 ILE A 53 3.013 -0.803 2.163 1.00 0.00 H new ATOM 0 HD11 ILE A 53 1.810 3.632 2.938 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.652 3.550 1.167 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.673 2.480 2.198 1.00 0.00 H new ATOM 922 N LYS A 54 3.390 -0.777 -1.646 1.00 0.00 N ATOM 923 CA LYS A 54 3.502 -2.056 -2.326 1.00 0.00 C ATOM 924 C LYS A 54 4.881 -2.169 -2.999 1.00 0.00 C ATOM 925 O LYS A 54 5.434 -3.268 -3.052 1.00 0.00 O ATOM 926 CB LYS A 54 2.270 -2.290 -3.230 1.00 0.00 C ATOM 927 CG LYS A 54 2.404 -1.607 -4.610 1.00 0.00 C ATOM 928 CD LYS A 54 3.147 -2.482 -5.636 1.00 0.00 C ATOM 929 CE LYS A 54 2.516 -2.307 -7.016 1.00 0.00 C ATOM 930 NZ LYS A 54 3.260 -3.058 -8.039 1.00 0.00 N ATOM 0 H LYS A 54 2.662 -0.159 -2.005 1.00 0.00 H new ATOM 0 HA LYS A 54 3.474 -2.888 -1.623 1.00 0.00 H new ATOM 0 HB2 LYS A 54 2.127 -3.361 -3.372 1.00 0.00 H new ATOM 0 HB3 LYS A 54 1.379 -1.913 -2.728 1.00 0.00 H new ATOM 0 HG2 LYS A 54 1.411 -1.370 -4.992 1.00 0.00 H new ATOM 0 HG3 LYS A 54 2.934 -0.662 -4.493 1.00 0.00 H new ATOM 0 HD2 LYS A 54 4.201 -2.205 -5.670 1.00 0.00 H new ATOM 0 HD3 LYS A 54 3.103 -3.529 -5.335 1.00 0.00 H new ATOM 0 HE2 LYS A 54 1.481 -2.648 -6.992 1.00 0.00 H new ATOM 0 HE3 LYS A 54 2.497 -1.249 -7.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 2.809 -2.921 -8.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 4.241 -2.715 -8.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 3.256 -4.070 -7.798 1.00 0.00 H new ATOM 944 N THR A 55 5.486 -1.049 -3.428 1.00 0.00 N ATOM 945 CA THR A 55 6.879 -1.036 -3.847 1.00 0.00 C ATOM 946 C THR A 55 7.811 -1.415 -2.698 1.00 0.00 C ATOM 947 O THR A 55 8.748 -2.149 -2.965 1.00 0.00 O ATOM 948 CB THR A 55 7.210 0.324 -4.472 1.00 0.00 C ATOM 949 OG1 THR A 55 6.829 0.292 -5.839 1.00 0.00 O ATOM 950 CG2 THR A 55 8.651 0.814 -4.345 1.00 0.00 C ATOM 0 H THR A 55 5.022 -0.143 -3.490 1.00 0.00 H new ATOM 0 HA THR A 55 7.038 -1.797 -4.611 1.00 0.00 H new ATOM 0 HB THR A 55 6.644 1.051 -3.889 1.00 0.00 H new ATOM 0 HG1 THR A 55 5.946 0.704 -5.942 1.00 0.00 H new ATOM 0 HG21 THR A 55 8.749 1.786 -4.829 1.00 0.00 H new ATOM 0 HG22 THR A 55 8.913 0.905 -3.291 1.00 0.00 H new ATOM 0 HG23 THR A 55 9.321 0.101 -4.825 1.00 0.00 H new ATOM 958 N ILE A 56 7.598 -0.989 -1.444 1.00 0.00 N ATOM 959 CA ILE A 56 8.457 -1.431 -0.332 1.00 0.00 C ATOM 960 C ILE A 56 8.538 -2.953 -0.318 1.00 0.00 C ATOM 961 O ILE A 56 9.639 -3.488 -0.280 1.00 0.00 O ATOM 962 CB ILE A 56 8.049 -0.866 1.047 1.00 0.00 C ATOM 963 CG1 ILE A 56 8.329 0.646 1.113 1.00 0.00 C ATOM 964 CG2 ILE A 56 8.708 -1.606 2.237 1.00 0.00 C ATOM 965 CD1 ILE A 56 9.718 1.031 1.625 1.00 0.00 C ATOM 0 H ILE A 56 6.851 -0.349 -1.175 1.00 0.00 H new ATOM 0 HA ILE A 56 9.448 -1.016 -0.515 1.00 0.00 H new ATOM 0 HB ILE A 56 6.977 -1.037 1.147 1.00 0.00 H new ATOM 0 HG12 ILE A 56 8.197 1.067 0.116 1.00 0.00 H new ATOM 0 HG13 ILE A 56 7.581 1.110 1.756 1.00 0.00 H new ATOM 0 HG21 ILE A 56 8.377 -1.157 3.173 1.00 0.00 H new ATOM 0 HG22 ILE A 56 8.419 -2.657 2.217 1.00 0.00 H new ATOM 0 HG23 ILE A 56 9.792 -1.526 2.160 1.00 0.00 H new ATOM 0 HD11 ILE A 56 9.815 2.117 1.633 1.00 0.00 H new ATOM 0 HD12 ILE A 56 9.852 0.647 2.636 1.00 0.00 H new ATOM 0 HD13 ILE A 56 10.478 0.604 0.971 1.00 0.00 H new ATOM 977 N LEU A 57 7.400 -3.642 -0.389 1.00 0.00 N ATOM 978 CA LEU A 57 7.350 -5.103 -0.459 1.00 0.00 C ATOM 979 C LEU A 57 8.200 -5.574 -1.638 1.00 0.00 C ATOM 980 O LEU A 57 9.164 -6.310 -1.457 1.00 0.00 O ATOM 981 CB LEU A 57 5.890 -5.583 -0.457 1.00 0.00 C ATOM 982 CG LEU A 57 5.664 -7.062 -0.807 1.00 0.00 C ATOM 983 CD1 LEU A 57 6.654 -8.038 -0.182 1.00 0.00 C ATOM 984 CD2 LEU A 57 4.254 -7.461 -0.350 1.00 0.00 C ATOM 0 H LEU A 57 6.481 -3.200 -0.400 1.00 0.00 H new ATOM 0 HA LEU A 57 7.790 -5.565 0.425 1.00 0.00 H new ATOM 0 HB2 LEU A 57 5.469 -5.396 0.531 1.00 0.00 H new ATOM 0 HB3 LEU A 57 5.327 -4.973 -1.164 1.00 0.00 H new ATOM 0 HG LEU A 57 5.805 -7.134 -1.886 1.00 0.00 H new ATOM 0 HD11 LEU A 57 6.408 -9.054 -0.491 1.00 0.00 H new ATOM 0 HD12 LEU A 57 7.664 -7.793 -0.512 1.00 0.00 H new ATOM 0 HD13 LEU A 57 6.600 -7.966 0.904 1.00 0.00 H new ATOM 0 HD21 LEU A 57 4.076 -8.509 -0.591 1.00 0.00 H new ATOM 0 HD22 LEU A 57 4.166 -7.316 0.727 1.00 0.00 H new ATOM 0 HD23 LEU A 57 3.517 -6.841 -0.861 1.00 0.00 H new ATOM 996 N ARG A 58 7.904 -5.075 -2.831 1.00 0.00 N ATOM 997 CA ARG A 58 8.621 -5.399 -4.067 1.00 0.00 C ATOM 998 C ARG A 58 10.136 -5.282 -3.872 1.00 0.00 C ATOM 999 O ARG A 58 10.887 -6.197 -4.187 1.00 0.00 O ATOM 1000 CB ARG A 58 8.127 -4.481 -5.204 1.00 0.00 C ATOM 1001 CG ARG A 58 7.932 -5.200 -6.546 1.00 0.00 C ATOM 1002 CD ARG A 58 9.191 -5.920 -7.054 1.00 0.00 C ATOM 1003 NE ARG A 58 9.631 -5.460 -8.381 1.00 0.00 N ATOM 1004 CZ ARG A 58 9.210 -5.950 -9.549 1.00 0.00 C ATOM 1005 NH1 ARG A 58 8.191 -6.803 -9.608 1.00 0.00 N ATOM 1006 NH2 ARG A 58 9.822 -5.581 -10.662 1.00 0.00 N ATOM 0 H ARG A 58 7.139 -4.416 -2.974 1.00 0.00 H new ATOM 0 HA ARG A 58 8.413 -6.434 -4.338 1.00 0.00 H new ATOM 0 HB2 ARG A 58 7.182 -4.027 -4.906 1.00 0.00 H new ATOM 0 HB3 ARG A 58 8.842 -3.669 -5.339 1.00 0.00 H new ATOM 0 HG2 ARG A 58 7.126 -5.926 -6.444 1.00 0.00 H new ATOM 0 HG3 ARG A 58 7.614 -4.473 -7.294 1.00 0.00 H new ATOM 0 HD2 ARG A 58 10.000 -5.770 -6.339 1.00 0.00 H new ATOM 0 HD3 ARG A 58 8.996 -6.992 -7.095 1.00 0.00 H new ATOM 0 HE ARG A 58 10.315 -4.704 -8.411 1.00 0.00 H new ATOM 0 HH11 ARG A 58 7.718 -7.093 -8.752 1.00 0.00 H new ATOM 0 HH12 ARG A 58 7.883 -7.167 -10.509 1.00 0.00 H new ATOM 0 HH21 ARG A 58 10.606 -4.929 -10.621 1.00 0.00 H new ATOM 0 HH22 ARG A 58 9.510 -5.948 -11.561 1.00 0.00 H new ATOM 1020 N GLU A 59 10.599 -4.161 -3.339 1.00 0.00 N ATOM 1021 CA GLU A 59 11.999 -3.827 -3.104 1.00 0.00 C ATOM 1022 C GLU A 59 12.642 -4.775 -2.086 1.00 0.00 C ATOM 1023 O GLU A 59 13.867 -4.839 -1.996 1.00 0.00 O ATOM 1024 CB GLU A 59 12.086 -2.390 -2.572 1.00 0.00 C ATOM 1025 CG GLU A 59 11.529 -1.339 -3.546 1.00 0.00 C ATOM 1026 CD GLU A 59 12.596 -0.578 -4.329 1.00 0.00 C ATOM 1027 OE1 GLU A 59 13.244 0.318 -3.731 1.00 0.00 O ATOM 1028 OE2 GLU A 59 12.755 -0.834 -5.545 1.00 0.00 O ATOM 0 H GLU A 59 9.971 -3.415 -3.041 1.00 0.00 H new ATOM 0 HA GLU A 59 12.536 -3.925 -4.047 1.00 0.00 H new ATOM 0 HB2 GLU A 59 11.540 -2.326 -1.631 1.00 0.00 H new ATOM 0 HB3 GLU A 59 13.128 -2.155 -2.353 1.00 0.00 H new ATOM 0 HG2 GLU A 59 10.861 -1.833 -4.251 1.00 0.00 H new ATOM 0 HG3 GLU A 59 10.928 -0.624 -2.985 1.00 0.00 H new ATOM 1035 N ARG A 60 11.853 -5.493 -1.288 1.00 0.00 N ATOM 1036 CA ARG A 60 12.356 -6.566 -0.429 1.00 0.00 C ATOM 1037 C ARG A 60 12.454 -7.884 -1.180 1.00 0.00 C ATOM 1038 O ARG A 60 13.396 -8.626 -0.919 1.00 0.00 O ATOM 1039 CB ARG A 60 11.500 -6.737 0.839 1.00 0.00 C ATOM 1040 CG ARG A 60 11.546 -5.478 1.707 1.00 0.00 C ATOM 1041 CD ARG A 60 10.866 -5.706 3.064 1.00 0.00 C ATOM 1042 NE ARG A 60 11.792 -6.335 4.013 1.00 0.00 N ATOM 1043 CZ ARG A 60 11.590 -7.380 4.822 1.00 0.00 C ATOM 1044 NH1 ARG A 60 10.453 -8.056 4.875 1.00 0.00 N ATOM 1045 NH2 ARG A 60 12.563 -7.776 5.620 1.00 0.00 N ATOM 0 H ARG A 60 10.846 -5.348 -1.218 1.00 0.00 H new ATOM 0 HA ARG A 60 13.359 -6.272 -0.120 1.00 0.00 H new ATOM 0 HB2 ARG A 60 10.469 -6.952 0.559 1.00 0.00 H new ATOM 0 HB3 ARG A 60 11.860 -7.591 1.412 1.00 0.00 H new ATOM 0 HG2 ARG A 60 12.583 -5.180 1.864 1.00 0.00 H new ATOM 0 HG3 ARG A 60 11.054 -4.657 1.186 1.00 0.00 H new ATOM 0 HD2 ARG A 60 10.518 -4.754 3.466 1.00 0.00 H new ATOM 0 HD3 ARG A 60 9.987 -6.338 2.934 1.00 0.00 H new ATOM 0 HE ARG A 60 12.721 -5.916 4.062 1.00 0.00 H new ATOM 0 HH11 ARG A 60 9.671 -7.787 4.277 1.00 0.00 H new ATOM 0 HH12 ARG A 60 10.359 -8.846 5.514 1.00 0.00 H new ATOM 0 HH21 ARG A 60 13.458 -7.286 5.615 1.00 0.00 H new ATOM 0 HH22 ARG A 60 12.421 -8.572 6.242 1.00 0.00 H new ATOM 1059 N GLU A 61 11.575 -8.135 -2.146 1.00 0.00 N ATOM 1060 CA GLU A 61 11.538 -9.345 -2.960 1.00 0.00 C ATOM 1061 C GLU A 61 12.877 -9.498 -3.682 1.00 0.00 C ATOM 1062 O GLU A 61 13.530 -10.528 -3.516 1.00 0.00 O ATOM 1063 CB GLU A 61 10.342 -9.390 -3.942 1.00 0.00 C ATOM 1064 CG GLU A 61 8.954 -9.267 -3.297 1.00 0.00 C ATOM 1065 CD GLU A 61 7.810 -9.611 -4.258 1.00 0.00 C ATOM 1066 OE1 GLU A 61 7.313 -8.730 -5.004 1.00 0.00 O ATOM 1067 OE2 GLU A 61 7.343 -10.776 -4.221 1.00 0.00 O ATOM 0 H GLU A 61 10.839 -7.473 -2.393 1.00 0.00 H new ATOM 0 HA GLU A 61 11.382 -10.194 -2.295 1.00 0.00 H new ATOM 0 HB2 GLU A 61 10.459 -8.585 -4.667 1.00 0.00 H new ATOM 0 HB3 GLU A 61 10.384 -10.327 -4.496 1.00 0.00 H new ATOM 0 HG2 GLU A 61 8.903 -9.927 -2.431 1.00 0.00 H new ATOM 0 HG3 GLU A 61 8.819 -8.249 -2.931 1.00 0.00 H new ATOM 1074 N LEU A 62 13.335 -8.485 -4.439 1.00 0.00 N ATOM 1075 CA LEU A 62 14.624 -8.579 -5.119 1.00 0.00 C ATOM 1076 C LEU A 62 15.797 -8.240 -4.190 1.00 0.00 C ATOM 1077 O LEU A 62 16.952 -8.412 -4.585 1.00 0.00 O ATOM 1078 CB LEU A 62 14.721 -7.643 -6.333 1.00 0.00 C ATOM 1079 CG LEU A 62 13.468 -7.194 -7.108 1.00 0.00 C ATOM 1080 CD1 LEU A 62 12.292 -8.169 -7.206 1.00 0.00 C ATOM 1081 CD2 LEU A 62 13.004 -5.825 -6.615 1.00 0.00 C ATOM 0 H LEU A 62 12.836 -7.608 -4.589 1.00 0.00 H new ATOM 0 HA LEU A 62 14.688 -9.617 -5.445 1.00 0.00 H new ATOM 0 HB2 LEU A 62 15.225 -6.738 -5.995 1.00 0.00 H new ATOM 0 HB3 LEU A 62 15.382 -8.126 -7.053 1.00 0.00 H new ATOM 0 HG LEU A 62 13.818 -7.151 -8.139 1.00 0.00 H new ATOM 0 HD11 LEU A 62 11.487 -7.711 -7.780 1.00 0.00 H new ATOM 0 HD12 LEU A 62 12.618 -9.083 -7.703 1.00 0.00 H new ATOM 0 HD13 LEU A 62 11.933 -8.408 -6.205 1.00 0.00 H new ATOM 0 HD21 LEU A 62 12.118 -5.519 -7.171 1.00 0.00 H new ATOM 0 HD22 LEU A 62 12.764 -5.883 -5.553 1.00 0.00 H new ATOM 0 HD23 LEU A 62 13.798 -5.095 -6.768 1.00 0.00 H new ATOM 1093 N GLY A 63 15.530 -7.707 -2.996 1.00 0.00 N ATOM 1094 CA GLY A 63 16.537 -7.144 -2.107 1.00 0.00 C ATOM 1095 C GLY A 63 17.228 -5.938 -2.723 1.00 0.00 C ATOM 1096 O GLY A 63 18.435 -5.948 -2.977 1.00 0.00 O ATOM 0 H GLY A 63 14.585 -7.656 -2.616 1.00 0.00 H new ATOM 0 HA2 GLY A 63 16.069 -6.853 -1.167 1.00 0.00 H new ATOM 0 HA3 GLY A 63 17.280 -7.906 -1.871 1.00 0.00 H new ATOM 1100 N ILE A 64 16.444 -4.899 -2.975 1.00 0.00 N ATOM 1101 CA ILE A 64 16.912 -3.588 -3.372 1.00 0.00 C ATOM 1102 C ILE A 64 17.319 -2.757 -2.148 1.00 0.00 C ATOM 1103 O ILE A 64 18.128 -1.836 -2.255 1.00 0.00 O ATOM 1104 CB ILE A 64 15.787 -2.925 -4.199 1.00 0.00 C ATOM 1105 CG1 ILE A 64 15.603 -3.566 -5.583 1.00 0.00 C ATOM 1106 CG2 ILE A 64 15.959 -1.417 -4.333 1.00 0.00 C ATOM 1107 CD1 ILE A 64 16.745 -3.306 -6.566 1.00 0.00 C ATOM 0 H ILE A 64 15.428 -4.953 -2.905 1.00 0.00 H new ATOM 0 HA ILE A 64 17.810 -3.662 -3.985 1.00 0.00 H new ATOM 0 HB ILE A 64 14.877 -3.106 -3.626 1.00 0.00 H new ATOM 0 HG12 ILE A 64 15.489 -4.643 -5.457 1.00 0.00 H new ATOM 0 HG13 ILE A 64 14.675 -3.196 -6.019 1.00 0.00 H new ATOM 0 HG21 ILE A 64 15.139 -1.008 -4.924 1.00 0.00 H new ATOM 0 HG22 ILE A 64 15.955 -0.961 -3.343 1.00 0.00 H new ATOM 0 HG23 ILE A 64 16.906 -1.201 -4.828 1.00 0.00 H new ATOM 0 HD11 ILE A 64 16.527 -3.797 -7.515 1.00 0.00 H new ATOM 0 HD12 ILE A 64 16.849 -2.233 -6.728 1.00 0.00 H new ATOM 0 HD13 ILE A 64 17.674 -3.703 -6.157 1.00 0.00 H new ATOM 1119 N ARG A 65 16.737 -3.044 -0.986 1.00 0.00 N ATOM 1120 CA ARG A 65 17.043 -2.413 0.288 1.00 0.00 C ATOM 1121 C ARG A 65 16.977 -3.478 1.372 1.00 0.00 C ATOM 1122 O ARG A 65 16.107 -3.420 2.240 1.00 0.00 O ATOM 1123 CB ARG A 65 16.140 -1.183 0.532 1.00 0.00 C ATOM 1124 CG ARG A 65 14.693 -1.222 -0.004 1.00 0.00 C ATOM 1125 CD ARG A 65 13.749 -2.222 0.683 1.00 0.00 C ATOM 1126 NE ARG A 65 13.159 -1.674 1.918 1.00 0.00 N ATOM 1127 CZ ARG A 65 12.970 -2.295 3.087 1.00 0.00 C ATOM 1128 NH1 ARG A 65 13.629 -3.391 3.421 1.00 0.00 N ATOM 1129 NH2 ARG A 65 12.067 -1.812 3.929 1.00 0.00 N ATOM 0 H ARG A 65 16.009 -3.754 -0.907 1.00 0.00 H new ATOM 0 HA ARG A 65 18.054 -2.005 0.295 1.00 0.00 H new ATOM 0 HB2 ARG A 65 16.092 -1.013 1.608 1.00 0.00 H new ATOM 0 HB3 ARG A 65 16.634 -0.315 0.094 1.00 0.00 H new ATOM 0 HG2 ARG A 65 14.264 -0.224 0.090 1.00 0.00 H new ATOM 0 HG3 ARG A 65 14.726 -1.456 -1.068 1.00 0.00 H new ATOM 0 HD2 ARG A 65 12.952 -2.499 -0.007 1.00 0.00 H new ATOM 0 HD3 ARG A 65 14.298 -3.134 0.918 1.00 0.00 H new ATOM 0 HE ARG A 65 12.858 -0.700 1.875 1.00 0.00 H new ATOM 0 HH11 ARG A 65 14.310 -3.793 2.777 1.00 0.00 H new ATOM 0 HH12 ARG A 65 13.456 -3.835 4.323 1.00 0.00 H new ATOM 0 HH21 ARG A 65 11.531 -0.981 3.680 1.00 0.00 H new ATOM 0 HH22 ARG A 65 11.908 -2.272 4.826 1.00 0.00 H new ATOM 1143 N ARG A 66 17.823 -4.498 1.257 1.00 0.00 N ATOM 1144 CA ARG A 66 17.791 -5.633 2.176 1.00 0.00 C ATOM 1145 C ARG A 66 17.819 -5.150 3.619 1.00 0.00 C ATOM 1146 O ARG A 66 16.970 -5.625 4.404 1.00 0.00 O ATOM 1147 CB ARG A 66 18.899 -6.672 1.888 1.00 0.00 C ATOM 1148 CG ARG A 66 18.263 -8.057 1.674 1.00 0.00 C ATOM 1149 CD ARG A 66 19.166 -9.265 1.962 1.00 0.00 C ATOM 1150 NE ARG A 66 18.394 -10.501 1.778 1.00 0.00 N ATOM 1151 CZ ARG A 66 18.821 -11.762 1.697 1.00 0.00 C ATOM 1152 NH1 ARG A 66 20.118 -12.048 1.709 1.00 0.00 N ATOM 1153 NH2 ARG A 66 17.917 -12.737 1.641 1.00 0.00 N ATOM 0 H ARG A 66 18.541 -4.562 0.535 1.00 0.00 H new ATOM 0 HA ARG A 66 16.850 -6.158 2.011 1.00 0.00 H new ATOM 0 HB2 ARG A 66 19.465 -6.380 1.004 1.00 0.00 H new ATOM 0 HB3 ARG A 66 19.603 -6.708 2.719 1.00 0.00 H new ATOM 0 HG2 ARG A 66 17.379 -8.130 2.307 1.00 0.00 H new ATOM 0 HG3 ARG A 66 17.921 -8.122 0.641 1.00 0.00 H new ATOM 0 HD2 ARG A 66 20.027 -9.257 1.294 1.00 0.00 H new ATOM 0 HD3 ARG A 66 19.552 -9.211 2.980 1.00 0.00 H new ATOM 0 HE ARG A 66 17.385 -10.377 1.701 1.00 0.00 H new ATOM 0 HH11 ARG A 66 20.805 -11.298 1.781 1.00 0.00 H new ATOM 0 HH12 ARG A 66 20.427 -13.018 1.646 1.00 0.00 H new ATOM 0 HH21 ARG A 66 16.922 -12.512 1.660 1.00 0.00 H new ATOM 0 HH22 ARG A 66 18.219 -13.709 1.579 1.00 0.00 H new TER 1167 ARG A 66