USER MOD reduce.3.24.130724 H: found=0, std=0, add=620, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 619 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 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 TYR OH : rot -7:sc= -1.75! USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot -100:sc= -3.14! USER MOD Single : A 29 LYS NZ :NH3+ 170:sc= -0.871 (180deg=-0.909) USER MOD Single : A 34 HIS : no HD1:sc= -0.403 K(o=-0.4,f=-1.4) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -4.5! C(o=-4.5!,f=-6.8!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 57:sc= 0.192 USER MOD Single : A 49 TYR OH : rot 105:sc= 0.681! USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=-0.084) USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= -1.01 K(o=-1,f=-0.18) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= -0.287 X(o=-0.29,f=-0.0033) USER MOD Single : A 72 SER OG : rot -160:sc= -0.757 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 20.622 7.801 2.600 1.00 0.00 N ATOM 2 CA ALA A 1 19.825 6.559 2.811 1.00 0.00 C ATOM 3 C ALA A 1 18.395 6.933 3.200 1.00 0.00 C ATOM 4 O ALA A 1 17.474 6.802 2.418 1.00 0.00 O ATOM 5 CB ALA A 1 20.459 5.732 3.931 1.00 0.00 C ATOM 0 H1 ALA A 1 21.595 7.548 2.335 1.00 0.00 H new ATOM 0 H2 ALA A 1 20.192 8.365 1.839 1.00 0.00 H new ATOM 0 H3 ALA A 1 20.636 8.358 3.478 1.00 0.00 H new ATOM 0 HA ALA A 1 19.810 5.974 1.891 1.00 0.00 H new ATOM 0 HB1 ALA A 1 19.877 4.823 4.086 1.00 0.00 H new ATOM 0 HB2 ALA A 1 21.479 5.467 3.654 1.00 0.00 H new ATOM 0 HB3 ALA A 1 20.473 6.316 4.851 1.00 0.00 H new ATOM 13 N GLU A 2 18.200 7.398 4.404 1.00 0.00 N ATOM 14 CA GLU A 2 16.827 7.781 4.836 1.00 0.00 C ATOM 15 C GLU A 2 15.881 6.601 4.623 1.00 0.00 C ATOM 16 O GLU A 2 14.757 6.764 4.192 1.00 0.00 O ATOM 17 CB GLU A 2 16.354 8.976 4.009 1.00 0.00 C ATOM 18 CG GLU A 2 17.409 10.083 4.073 1.00 0.00 C ATOM 19 CD GLU A 2 17.499 10.786 2.717 1.00 0.00 C ATOM 20 OE1 GLU A 2 16.696 10.472 1.855 1.00 0.00 O ATOM 21 OE2 GLU A 2 18.371 11.625 2.566 1.00 0.00 O ATOM 0 H GLU A 2 18.930 7.529 5.105 1.00 0.00 H new ATOM 0 HA GLU A 2 16.835 8.051 5.892 1.00 0.00 H new ATOM 0 HB2 GLU A 2 16.188 8.675 2.975 1.00 0.00 H new ATOM 0 HB3 GLU A 2 15.401 9.343 4.391 1.00 0.00 H new ATOM 0 HG2 GLU A 2 17.149 10.802 4.850 1.00 0.00 H new ATOM 0 HG3 GLU A 2 18.378 9.661 4.340 1.00 0.00 H new ATOM 28 N ILE A 3 16.323 5.412 4.927 1.00 0.00 N ATOM 29 CA ILE A 3 15.442 4.230 4.744 1.00 0.00 C ATOM 30 C ILE A 3 15.096 4.096 3.252 1.00 0.00 C ATOM 31 O ILE A 3 14.641 5.032 2.626 1.00 0.00 O ATOM 32 CB ILE A 3 14.181 4.423 5.615 1.00 0.00 C ATOM 33 CG1 ILE A 3 14.073 3.261 6.607 1.00 0.00 C ATOM 34 CG2 ILE A 3 12.909 4.489 4.762 1.00 0.00 C ATOM 35 CD1 ILE A 3 13.585 2.008 5.878 1.00 0.00 C ATOM 0 H ILE A 3 17.254 5.210 5.293 1.00 0.00 H new ATOM 0 HA ILE A 3 15.937 3.310 5.057 1.00 0.00 H new ATOM 0 HB ILE A 3 14.276 5.370 6.147 1.00 0.00 H new ATOM 0 HG12 ILE A 3 15.043 3.072 7.068 1.00 0.00 H new ATOM 0 HG13 ILE A 3 13.383 3.518 7.411 1.00 0.00 H new ATOM 0 HG21 ILE A 3 12.043 4.625 5.410 1.00 0.00 H new ATOM 0 HG22 ILE A 3 12.979 5.327 4.069 1.00 0.00 H new ATOM 0 HG23 ILE A 3 12.799 3.562 4.200 1.00 0.00 H new ATOM 0 HD11 ILE A 3 13.509 1.182 6.585 1.00 0.00 H new ATOM 0 HD12 ILE A 3 12.606 2.201 5.438 1.00 0.00 H new ATOM 0 HD13 ILE A 3 14.292 1.747 5.090 1.00 0.00 H new ATOM 47 N GLU A 4 15.318 2.942 2.681 1.00 0.00 N ATOM 48 CA GLU A 4 15.014 2.758 1.233 1.00 0.00 C ATOM 49 C GLU A 4 14.158 1.505 1.035 1.00 0.00 C ATOM 50 O GLU A 4 13.394 1.119 1.898 1.00 0.00 O ATOM 51 CB GLU A 4 16.323 2.610 0.453 1.00 0.00 C ATOM 52 CG GLU A 4 16.981 1.274 0.804 1.00 0.00 C ATOM 53 CD GLU A 4 18.426 1.515 1.248 1.00 0.00 C ATOM 54 OE1 GLU A 4 18.651 2.473 1.969 1.00 0.00 O ATOM 55 OE2 GLU A 4 19.282 0.737 0.859 1.00 0.00 O ATOM 0 H GLU A 4 15.696 2.121 3.154 1.00 0.00 H new ATOM 0 HA GLU A 4 14.466 3.627 0.868 1.00 0.00 H new ATOM 0 HB2 GLU A 4 16.128 2.660 -0.618 1.00 0.00 H new ATOM 0 HB3 GLU A 4 16.996 3.433 0.693 1.00 0.00 H new ATOM 0 HG2 GLU A 4 16.423 0.780 1.599 1.00 0.00 H new ATOM 0 HG3 GLU A 4 16.961 0.609 -0.060 1.00 0.00 H new ATOM 62 N VAL A 5 14.275 0.872 -0.102 1.00 0.00 N ATOM 63 CA VAL A 5 13.468 -0.353 -0.366 1.00 0.00 C ATOM 64 C VAL A 5 14.123 -1.560 0.314 1.00 0.00 C ATOM 65 O VAL A 5 15.276 -1.524 0.694 1.00 0.00 O ATOM 66 CB VAL A 5 13.378 -0.573 -1.887 1.00 0.00 C ATOM 67 CG1 VAL A 5 13.244 -2.066 -2.216 1.00 0.00 C ATOM 68 CG2 VAL A 5 12.153 0.166 -2.426 1.00 0.00 C ATOM 0 H VAL A 5 14.897 1.152 -0.861 1.00 0.00 H new ATOM 0 HA VAL A 5 12.463 -0.233 0.039 1.00 0.00 H new ATOM 0 HB VAL A 5 14.289 -0.193 -2.349 1.00 0.00 H new ATOM 0 HG11 VAL A 5 13.182 -2.196 -3.296 1.00 0.00 H new ATOM 0 HG12 VAL A 5 14.113 -2.602 -1.835 1.00 0.00 H new ATOM 0 HG13 VAL A 5 12.341 -2.462 -1.751 1.00 0.00 H new ATOM 0 HG21 VAL A 5 12.082 0.015 -3.503 1.00 0.00 H new ATOM 0 HG22 VAL A 5 11.254 -0.221 -1.945 1.00 0.00 H new ATOM 0 HG23 VAL A 5 12.248 1.231 -2.214 1.00 0.00 H new ATOM 78 N GLY A 6 13.391 -2.631 0.464 1.00 0.00 N ATOM 79 CA GLY A 6 13.963 -3.844 1.111 1.00 0.00 C ATOM 80 C GLY A 6 13.722 -3.786 2.619 1.00 0.00 C ATOM 81 O GLY A 6 14.320 -4.522 3.379 1.00 0.00 O ATOM 0 H GLY A 6 12.420 -2.717 0.165 1.00 0.00 H new ATOM 0 HA2 GLY A 6 13.505 -4.741 0.694 1.00 0.00 H new ATOM 0 HA3 GLY A 6 15.032 -3.908 0.906 1.00 0.00 H new ATOM 85 N ARG A 7 12.863 -2.911 3.065 1.00 0.00 N ATOM 86 CA ARG A 7 12.606 -2.807 4.527 1.00 0.00 C ATOM 87 C ARG A 7 11.099 -2.745 4.781 1.00 0.00 C ATOM 88 O ARG A 7 10.298 -2.877 3.877 1.00 0.00 O ATOM 89 CB ARG A 7 13.248 -1.529 5.077 1.00 0.00 C ATOM 90 CG ARG A 7 14.292 -0.986 4.096 1.00 0.00 C ATOM 91 CD ARG A 7 15.429 -0.320 4.874 1.00 0.00 C ATOM 92 NE ARG A 7 16.627 -1.207 4.855 1.00 0.00 N ATOM 93 CZ ARG A 7 17.663 -0.917 5.595 1.00 0.00 C ATOM 94 NH1 ARG A 7 18.582 -0.108 5.141 1.00 0.00 N ATOM 95 NH2 ARG A 7 17.784 -1.439 6.785 1.00 0.00 N ATOM 0 H ARG A 7 12.330 -2.266 2.482 1.00 0.00 H new ATOM 0 HA ARG A 7 13.033 -3.679 5.023 1.00 0.00 H new ATOM 0 HB2 ARG A 7 12.480 -0.776 5.253 1.00 0.00 H new ATOM 0 HB3 ARG A 7 13.717 -1.736 6.039 1.00 0.00 H new ATOM 0 HG2 ARG A 7 14.684 -1.796 3.481 1.00 0.00 H new ATOM 0 HG3 ARG A 7 13.831 -0.267 3.419 1.00 0.00 H new ATOM 0 HD2 ARG A 7 15.671 0.646 4.431 1.00 0.00 H new ATOM 0 HD3 ARG A 7 15.119 -0.131 5.902 1.00 0.00 H new ATOM 0 HE ARG A 7 16.637 -2.039 4.265 1.00 0.00 H new ATOM 0 HH11 ARG A 7 18.490 0.297 4.209 1.00 0.00 H new ATOM 0 HH12 ARG A 7 19.392 0.119 5.718 1.00 0.00 H new ATOM 0 HH21 ARG A 7 17.069 -2.075 7.138 1.00 0.00 H new ATOM 0 HH22 ARG A 7 18.594 -1.211 7.362 1.00 0.00 H new ATOM 109 N VAL A 8 10.712 -2.528 6.009 1.00 0.00 N ATOM 110 CA VAL A 8 9.262 -2.436 6.334 1.00 0.00 C ATOM 111 C VAL A 8 8.826 -0.975 6.200 1.00 0.00 C ATOM 112 O VAL A 8 9.494 -0.075 6.670 1.00 0.00 O ATOM 113 CB VAL A 8 9.034 -2.924 7.770 1.00 0.00 C ATOM 114 CG1 VAL A 8 7.700 -2.394 8.301 1.00 0.00 C ATOM 115 CG2 VAL A 8 9.015 -4.455 7.788 1.00 0.00 C ATOM 0 H VAL A 8 11.341 -2.410 6.803 1.00 0.00 H new ATOM 0 HA VAL A 8 8.679 -3.056 5.653 1.00 0.00 H new ATOM 0 HB VAL A 8 9.841 -2.556 8.404 1.00 0.00 H new ATOM 0 HG11 VAL A 8 7.549 -2.747 9.321 1.00 0.00 H new ATOM 0 HG12 VAL A 8 7.712 -1.304 8.292 1.00 0.00 H new ATOM 0 HG13 VAL A 8 6.888 -2.753 7.669 1.00 0.00 H new ATOM 0 HG21 VAL A 8 8.853 -4.805 8.808 1.00 0.00 H new ATOM 0 HG22 VAL A 8 8.210 -4.816 7.148 1.00 0.00 H new ATOM 0 HG23 VAL A 8 9.968 -4.835 7.421 1.00 0.00 H new ATOM 125 N TYR A 9 7.718 -0.726 5.559 1.00 0.00 N ATOM 126 CA TYR A 9 7.262 0.684 5.398 1.00 0.00 C ATOM 127 C TYR A 9 5.867 0.853 5.995 1.00 0.00 C ATOM 128 O TYR A 9 4.970 0.074 5.737 1.00 0.00 O ATOM 129 CB TYR A 9 7.204 1.041 3.912 1.00 0.00 C ATOM 130 CG TYR A 9 8.514 1.648 3.470 1.00 0.00 C ATOM 131 CD1 TYR A 9 9.712 0.940 3.632 1.00 0.00 C ATOM 132 CD2 TYR A 9 8.527 2.918 2.881 1.00 0.00 C ATOM 133 CE1 TYR A 9 10.919 1.503 3.206 1.00 0.00 C ATOM 134 CE2 TYR A 9 9.734 3.479 2.456 1.00 0.00 C ATOM 135 CZ TYR A 9 10.931 2.772 2.617 1.00 0.00 C ATOM 136 OH TYR A 9 12.122 3.328 2.195 1.00 0.00 O ATOM 0 H TYR A 9 7.112 -1.432 5.142 1.00 0.00 H new ATOM 0 HA TYR A 9 7.965 1.339 5.913 1.00 0.00 H new ATOM 0 HB2 TYR A 9 6.992 0.148 3.324 1.00 0.00 H new ATOM 0 HB3 TYR A 9 6.390 1.743 3.731 1.00 0.00 H new ATOM 0 HD1 TYR A 9 9.703 -0.040 4.086 1.00 0.00 H new ATOM 0 HD2 TYR A 9 7.604 3.464 2.755 1.00 0.00 H new ATOM 0 HE1 TYR A 9 11.843 0.958 3.332 1.00 0.00 H new ATOM 0 HE2 TYR A 9 9.743 4.459 2.003 1.00 0.00 H new ATOM 0 HH TYR A 9 12.868 2.759 2.480 1.00 0.00 H new ATOM 146 N THR A 10 5.669 1.879 6.769 1.00 0.00 N ATOM 147 CA THR A 10 4.324 2.117 7.355 1.00 0.00 C ATOM 148 C THR A 10 3.487 2.863 6.318 1.00 0.00 C ATOM 149 O THR A 10 3.665 4.044 6.095 1.00 0.00 O ATOM 150 CB THR A 10 4.451 2.961 8.625 1.00 0.00 C ATOM 151 OG1 THR A 10 5.578 2.524 9.371 1.00 0.00 O ATOM 152 CG2 THR A 10 3.185 2.802 9.468 1.00 0.00 C ATOM 0 H THR A 10 6.381 2.564 7.022 1.00 0.00 H new ATOM 0 HA THR A 10 3.851 1.171 7.617 1.00 0.00 H new ATOM 0 HB THR A 10 4.579 4.010 8.357 1.00 0.00 H new ATOM 0 HG1 THR A 10 5.662 3.065 10.184 1.00 0.00 H new ATOM 0 HG21 THR A 10 3.273 3.402 10.373 1.00 0.00 H new ATOM 0 HG22 THR A 10 2.321 3.136 8.894 1.00 0.00 H new ATOM 0 HG23 THR A 10 3.057 1.754 9.739 1.00 0.00 H new ATOM 160 N GLY A 11 2.596 2.177 5.660 1.00 0.00 N ATOM 161 CA GLY A 11 1.774 2.841 4.614 1.00 0.00 C ATOM 162 C GLY A 11 0.634 3.639 5.247 1.00 0.00 C ATOM 163 O GLY A 11 -0.224 3.098 5.916 1.00 0.00 O ATOM 0 H GLY A 11 2.402 1.186 5.802 1.00 0.00 H new ATOM 0 HA2 GLY A 11 2.401 3.504 4.018 1.00 0.00 H new ATOM 0 HA3 GLY A 11 1.367 2.092 3.935 1.00 0.00 H new ATOM 167 N LYS A 12 0.609 4.922 5.015 1.00 0.00 N ATOM 168 CA LYS A 12 -0.484 5.764 5.573 1.00 0.00 C ATOM 169 C LYS A 12 -1.621 5.780 4.558 1.00 0.00 C ATOM 170 O LYS A 12 -1.393 5.711 3.370 1.00 0.00 O ATOM 171 CB LYS A 12 0.012 7.199 5.788 1.00 0.00 C ATOM 172 CG LYS A 12 1.530 7.200 5.991 1.00 0.00 C ATOM 173 CD LYS A 12 1.914 8.300 6.983 1.00 0.00 C ATOM 174 CE LYS A 12 2.344 9.552 6.215 1.00 0.00 C ATOM 175 NZ LYS A 12 3.368 10.292 7.007 1.00 0.00 N ATOM 0 H LYS A 12 1.302 5.425 4.461 1.00 0.00 H new ATOM 0 HA LYS A 12 -0.815 5.360 6.530 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -0.249 7.816 4.928 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -0.480 7.637 6.656 1.00 0.00 H new ATOM 0 HG2 LYS A 12 1.858 6.230 6.364 1.00 0.00 H new ATOM 0 HG3 LYS A 12 2.034 7.363 5.039 1.00 0.00 H new ATOM 0 HD2 LYS A 12 1.069 8.531 7.632 1.00 0.00 H new ATOM 0 HD3 LYS A 12 2.725 7.958 7.626 1.00 0.00 H new ATOM 0 HE2 LYS A 12 2.751 9.274 5.243 1.00 0.00 H new ATOM 0 HE3 LYS A 12 1.481 10.191 6.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 3.661 11.143 6.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 2.964 10.569 7.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 4.194 9.680 7.164 1.00 0.00 H new ATOM 189 N VAL A 13 -2.840 5.879 4.992 1.00 0.00 N ATOM 190 CA VAL A 13 -3.946 5.891 4.003 1.00 0.00 C ATOM 191 C VAL A 13 -4.169 7.326 3.538 1.00 0.00 C ATOM 192 O VAL A 13 -4.489 8.203 4.315 1.00 0.00 O ATOM 193 CB VAL A 13 -5.226 5.355 4.641 1.00 0.00 C ATOM 194 CG1 VAL A 13 -6.228 4.996 3.543 1.00 0.00 C ATOM 195 CG2 VAL A 13 -4.901 4.108 5.468 1.00 0.00 C ATOM 0 H VAL A 13 -3.117 5.951 5.971 1.00 0.00 H new ATOM 0 HA VAL A 13 -3.686 5.258 3.155 1.00 0.00 H new ATOM 0 HB VAL A 13 -5.657 6.117 5.291 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -7.142 4.613 3.996 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -6.458 5.885 2.956 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -5.798 4.234 2.893 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -5.814 3.725 5.923 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -4.471 3.344 4.821 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -4.186 4.366 6.250 1.00 0.00 H new ATOM 205 N THR A 14 -3.974 7.576 2.275 1.00 0.00 N ATOM 206 CA THR A 14 -4.142 8.957 1.758 1.00 0.00 C ATOM 207 C THR A 14 -5.084 8.951 0.545 1.00 0.00 C ATOM 208 O THR A 14 -5.421 9.987 0.005 1.00 0.00 O ATOM 209 CB THR A 14 -2.764 9.504 1.366 1.00 0.00 C ATOM 210 OG1 THR A 14 -2.467 9.133 0.029 1.00 0.00 O ATOM 211 CG2 THR A 14 -1.700 8.926 2.303 1.00 0.00 C ATOM 0 H THR A 14 -3.705 6.881 1.579 1.00 0.00 H new ATOM 0 HA THR A 14 -4.581 9.594 2.526 1.00 0.00 H new ATOM 0 HB THR A 14 -2.770 10.591 1.447 1.00 0.00 H new ATOM 0 HG1 THR A 14 -1.867 8.358 0.030 1.00 0.00 H new ATOM 0 HG21 THR A 14 -0.720 9.315 2.025 1.00 0.00 H new ATOM 0 HG22 THR A 14 -1.926 9.212 3.330 1.00 0.00 H new ATOM 0 HG23 THR A 14 -1.696 7.839 2.222 1.00 0.00 H new ATOM 219 N ARG A 15 -5.522 7.791 0.119 1.00 0.00 N ATOM 220 CA ARG A 15 -6.453 7.722 -1.050 1.00 0.00 C ATOM 221 C ARG A 15 -6.935 6.280 -1.248 1.00 0.00 C ATOM 222 O ARG A 15 -6.242 5.332 -0.939 1.00 0.00 O ATOM 223 CB ARG A 15 -5.770 8.202 -2.348 1.00 0.00 C ATOM 224 CG ARG A 15 -4.248 8.314 -2.187 1.00 0.00 C ATOM 225 CD ARG A 15 -3.834 9.775 -2.367 1.00 0.00 C ATOM 226 NE ARG A 15 -2.721 9.855 -3.353 1.00 0.00 N ATOM 227 CZ ARG A 15 -1.522 10.180 -2.955 1.00 0.00 C ATOM 228 NH1 ARG A 15 -1.214 11.434 -2.772 1.00 0.00 N ATOM 229 NH2 ARG A 15 -0.632 9.249 -2.741 1.00 0.00 N ATOM 0 H ARG A 15 -5.275 6.891 0.530 1.00 0.00 H new ATOM 0 HA ARG A 15 -7.297 8.378 -0.838 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -5.999 7.508 -3.157 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -6.177 9.172 -2.635 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -3.946 7.956 -1.203 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -3.745 7.687 -2.923 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -4.683 10.365 -2.711 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -3.520 10.196 -1.412 1.00 0.00 H new ATOM 0 HE ARG A 15 -2.896 9.656 -4.338 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -1.910 12.160 -2.940 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -0.277 11.689 -2.461 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -0.875 8.269 -2.885 1.00 0.00 H new ATOM 0 HH22 ARG A 15 0.306 9.502 -2.430 1.00 0.00 H new ATOM 243 N ILE A 16 -8.124 6.115 -1.774 1.00 0.00 N ATOM 244 CA ILE A 16 -8.671 4.746 -2.017 1.00 0.00 C ATOM 245 C ILE A 16 -9.324 4.722 -3.404 1.00 0.00 C ATOM 246 O ILE A 16 -9.619 5.758 -3.967 1.00 0.00 O ATOM 247 CB ILE A 16 -9.709 4.406 -0.944 1.00 0.00 C ATOM 248 CG1 ILE A 16 -9.022 4.372 0.426 1.00 0.00 C ATOM 249 CG2 ILE A 16 -10.322 3.038 -1.250 1.00 0.00 C ATOM 250 CD1 ILE A 16 -9.977 3.796 1.475 1.00 0.00 C ATOM 0 H ILE A 16 -8.743 6.878 -2.047 1.00 0.00 H new ATOM 0 HA ILE A 16 -7.869 4.009 -1.972 1.00 0.00 H new ATOM 0 HB ILE A 16 -10.496 5.160 -0.936 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -8.117 3.766 0.374 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -8.716 5.378 0.714 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -11.062 2.792 -0.488 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -10.803 3.065 -2.228 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -9.538 2.280 -1.253 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -9.482 3.775 2.446 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -10.869 4.419 1.536 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -10.261 2.783 1.191 1.00 0.00 H new ATOM 262 N VAL A 17 -9.540 3.567 -3.979 1.00 0.00 N ATOM 263 CA VAL A 17 -10.156 3.539 -5.341 1.00 0.00 C ATOM 264 C VAL A 17 -11.180 2.393 -5.450 1.00 0.00 C ATOM 265 O VAL A 17 -11.080 1.384 -4.781 1.00 0.00 O ATOM 266 CB VAL A 17 -9.048 3.370 -6.405 1.00 0.00 C ATOM 267 CG1 VAL A 17 -7.701 3.823 -5.849 1.00 0.00 C ATOM 268 CG2 VAL A 17 -8.919 1.909 -6.813 1.00 0.00 C ATOM 0 H VAL A 17 -9.321 2.657 -3.574 1.00 0.00 H new ATOM 0 HA VAL A 17 -10.679 4.480 -5.512 1.00 0.00 H new ATOM 0 HB VAL A 17 -9.323 3.978 -7.267 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -6.932 3.697 -6.611 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -7.760 4.873 -5.563 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -7.448 3.223 -4.975 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -8.134 1.809 -7.563 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -8.665 1.308 -5.940 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -9.865 1.563 -7.229 1.00 0.00 H new ATOM 278 N ASP A 18 -12.152 2.531 -6.307 1.00 0.00 N ATOM 279 CA ASP A 18 -13.157 1.442 -6.465 1.00 0.00 C ATOM 280 C ASP A 18 -12.446 0.151 -6.885 1.00 0.00 C ATOM 281 O ASP A 18 -12.762 -0.924 -6.416 1.00 0.00 O ATOM 282 CB ASP A 18 -14.173 1.838 -7.538 1.00 0.00 C ATOM 283 CG ASP A 18 -15.411 2.440 -6.871 1.00 0.00 C ATOM 284 OD1 ASP A 18 -15.547 2.280 -5.668 1.00 0.00 O ATOM 285 OD2 ASP A 18 -16.200 3.050 -7.571 1.00 0.00 O ATOM 0 H ASP A 18 -12.295 3.347 -6.903 1.00 0.00 H new ATOM 0 HA ASP A 18 -13.673 1.282 -5.518 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -13.730 2.559 -8.225 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -14.453 0.966 -8.129 1.00 0.00 H new ATOM 290 N PHE A 19 -11.491 0.252 -7.770 1.00 0.00 N ATOM 291 CA PHE A 19 -10.758 -0.965 -8.230 1.00 0.00 C ATOM 292 C PHE A 19 -9.526 -1.201 -7.351 1.00 0.00 C ATOM 293 O PHE A 19 -8.542 -1.757 -7.797 1.00 0.00 O ATOM 294 CB PHE A 19 -10.296 -0.757 -9.675 1.00 0.00 C ATOM 295 CG PHE A 19 -9.614 0.583 -9.777 1.00 0.00 C ATOM 296 CD1 PHE A 19 -8.313 0.743 -9.285 1.00 0.00 C ATOM 297 CD2 PHE A 19 -10.288 1.672 -10.342 1.00 0.00 C ATOM 298 CE1 PHE A 19 -7.687 1.991 -9.359 1.00 0.00 C ATOM 299 CE2 PHE A 19 -9.661 2.921 -10.412 1.00 0.00 C ATOM 300 CZ PHE A 19 -8.361 3.078 -9.919 1.00 0.00 C ATOM 0 H PHE A 19 -11.185 1.127 -8.196 1.00 0.00 H new ATOM 0 HA PHE A 19 -11.423 -1.826 -8.163 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -9.612 -1.552 -9.971 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -11.148 -0.800 -10.354 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -7.793 -0.097 -8.849 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -11.291 1.548 -10.723 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -6.682 2.114 -8.983 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -10.180 3.763 -10.846 1.00 0.00 H new ATOM 0 HZ PHE A 19 -7.878 4.042 -9.972 1.00 0.00 H new ATOM 310 N GLY A 20 -9.554 -0.786 -6.112 1.00 0.00 N ATOM 311 CA GLY A 20 -8.358 -1.004 -5.247 1.00 0.00 C ATOM 312 C GLY A 20 -8.236 0.104 -4.197 1.00 0.00 C ATOM 313 O GLY A 20 -9.211 0.662 -3.740 1.00 0.00 O ATOM 0 H GLY A 20 -10.340 -0.313 -5.667 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -8.433 -1.973 -4.753 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -7.459 -1.029 -5.862 1.00 0.00 H new ATOM 317 N ALA A 21 -7.035 0.424 -3.805 1.00 0.00 N ATOM 318 CA ALA A 21 -6.841 1.487 -2.791 1.00 0.00 C ATOM 319 C ALA A 21 -5.464 2.113 -2.976 1.00 0.00 C ATOM 320 O ALA A 21 -4.526 1.461 -3.379 1.00 0.00 O ATOM 321 CB ALA A 21 -6.923 0.887 -1.390 1.00 0.00 C ATOM 0 H ALA A 21 -6.177 -0.009 -4.147 1.00 0.00 H new ATOM 0 HA ALA A 21 -7.617 2.242 -2.912 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -6.780 1.673 -0.649 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -7.901 0.428 -1.248 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -6.147 0.131 -1.272 1.00 0.00 H new ATOM 327 N PHE A 22 -5.338 3.371 -2.687 1.00 0.00 N ATOM 328 CA PHE A 22 -4.029 4.050 -2.833 1.00 0.00 C ATOM 329 C PHE A 22 -3.439 4.303 -1.444 1.00 0.00 C ATOM 330 O PHE A 22 -4.146 4.325 -0.456 1.00 0.00 O ATOM 331 CB PHE A 22 -4.237 5.377 -3.559 1.00 0.00 C ATOM 332 CG PHE A 22 -4.507 5.123 -5.025 1.00 0.00 C ATOM 333 CD1 PHE A 22 -4.585 3.810 -5.520 1.00 0.00 C ATOM 334 CD2 PHE A 22 -4.668 6.205 -5.894 1.00 0.00 C ATOM 335 CE1 PHE A 22 -4.813 3.586 -6.878 1.00 0.00 C ATOM 336 CE2 PHE A 22 -4.903 5.979 -7.257 1.00 0.00 C ATOM 337 CZ PHE A 22 -4.972 4.668 -7.747 1.00 0.00 C ATOM 0 H PHE A 22 -6.096 3.966 -2.351 1.00 0.00 H new ATOM 0 HA PHE A 22 -3.343 3.427 -3.407 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -5.072 5.918 -3.115 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -3.354 6.006 -3.446 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -4.468 2.973 -4.848 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -4.611 7.215 -5.516 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -4.867 2.576 -7.257 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -5.031 6.815 -7.929 1.00 0.00 H new ATOM 0 HZ PHE A 22 -5.148 4.494 -8.798 1.00 0.00 H new ATOM 347 N VAL A 23 -2.153 4.483 -1.359 1.00 0.00 N ATOM 348 CA VAL A 23 -1.526 4.721 -0.030 1.00 0.00 C ATOM 349 C VAL A 23 -0.281 5.597 -0.210 1.00 0.00 C ATOM 350 O VAL A 23 0.240 5.732 -1.297 1.00 0.00 O ATOM 351 CB VAL A 23 -1.146 3.366 0.581 1.00 0.00 C ATOM 352 CG1 VAL A 23 -0.121 3.555 1.697 1.00 0.00 C ATOM 353 CG2 VAL A 23 -2.399 2.707 1.161 1.00 0.00 C ATOM 0 H VAL A 23 -1.509 4.476 -2.150 1.00 0.00 H new ATOM 0 HA VAL A 23 -2.220 5.234 0.635 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.714 2.736 -0.197 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.139 2.585 2.121 1.00 0.00 H new ATOM 0 HG12 VAL A 23 0.775 4.026 1.292 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -0.544 4.190 2.476 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -2.135 1.743 1.597 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -2.824 3.349 1.932 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -3.132 2.558 0.368 1.00 0.00 H new ATOM 363 N ALA A 24 0.192 6.202 0.845 1.00 0.00 N ATOM 364 CA ALA A 24 1.396 7.074 0.730 1.00 0.00 C ATOM 365 C ALA A 24 2.377 6.745 1.864 1.00 0.00 C ATOM 366 O ALA A 24 1.983 6.578 2.999 1.00 0.00 O ATOM 367 CB ALA A 24 0.971 8.541 0.828 1.00 0.00 C ATOM 0 H ALA A 24 -0.203 6.130 1.783 1.00 0.00 H new ATOM 0 HA ALA A 24 1.883 6.900 -0.230 1.00 0.00 H new ATOM 0 HB1 ALA A 24 1.850 9.181 0.744 1.00 0.00 H new ATOM 0 HB2 ALA A 24 0.275 8.773 0.022 1.00 0.00 H new ATOM 0 HB3 ALA A 24 0.485 8.716 1.788 1.00 0.00 H new ATOM 373 N ILE A 25 3.651 6.651 1.573 1.00 0.00 N ATOM 374 CA ILE A 25 4.634 6.333 2.650 1.00 0.00 C ATOM 375 C ILE A 25 5.505 7.559 2.923 1.00 0.00 C ATOM 376 O ILE A 25 6.717 7.483 2.927 1.00 0.00 O ATOM 377 CB ILE A 25 5.522 5.163 2.211 1.00 0.00 C ATOM 378 CG1 ILE A 25 5.754 5.232 0.701 1.00 0.00 C ATOM 379 CG2 ILE A 25 4.841 3.839 2.559 1.00 0.00 C ATOM 380 CD1 ILE A 25 6.669 4.083 0.270 1.00 0.00 C ATOM 0 H ILE A 25 4.049 6.780 0.643 1.00 0.00 H new ATOM 0 HA ILE A 25 4.097 6.057 3.558 1.00 0.00 H new ATOM 0 HB ILE A 25 6.479 5.226 2.730 1.00 0.00 H new ATOM 0 HG12 ILE A 25 4.802 5.170 0.173 1.00 0.00 H new ATOM 0 HG13 ILE A 25 6.204 6.188 0.435 1.00 0.00 H new ATOM 0 HG21 ILE A 25 5.475 3.010 2.245 1.00 0.00 H new ATOM 0 HG22 ILE A 25 4.679 3.785 3.636 1.00 0.00 H new ATOM 0 HG23 ILE A 25 3.882 3.777 2.045 1.00 0.00 H new ATOM 0 HD11 ILE A 25 6.834 4.133 -0.806 1.00 0.00 H new ATOM 0 HD12 ILE A 25 7.625 4.165 0.788 1.00 0.00 H new ATOM 0 HD13 ILE A 25 6.201 3.131 0.521 1.00 0.00 H new ATOM 392 N GLY A 26 4.898 8.690 3.155 1.00 0.00 N ATOM 393 CA GLY A 26 5.695 9.919 3.429 1.00 0.00 C ATOM 394 C GLY A 26 5.364 10.985 2.384 1.00 0.00 C ATOM 395 O GLY A 26 4.404 10.870 1.648 1.00 0.00 O ATOM 0 H GLY A 26 3.886 8.816 3.167 1.00 0.00 H new ATOM 0 HA2 GLY A 26 5.474 10.293 4.429 1.00 0.00 H new ATOM 0 HA3 GLY A 26 6.760 9.688 3.404 1.00 0.00 H new ATOM 399 N GLY A 27 6.152 12.021 2.311 1.00 0.00 N ATOM 400 CA GLY A 27 5.883 13.093 1.312 1.00 0.00 C ATOM 401 C GLY A 27 6.867 12.966 0.148 1.00 0.00 C ATOM 402 O GLY A 27 7.094 13.904 -0.590 1.00 0.00 O ATOM 0 H GLY A 27 6.971 12.172 2.900 1.00 0.00 H new ATOM 0 HA2 GLY A 27 4.859 13.015 0.946 1.00 0.00 H new ATOM 0 HA3 GLY A 27 5.981 14.073 1.779 1.00 0.00 H new ATOM 406 N GLY A 28 7.454 11.813 -0.020 1.00 0.00 N ATOM 407 CA GLY A 28 8.424 11.627 -1.136 1.00 0.00 C ATOM 408 C GLY A 28 8.016 10.417 -1.979 1.00 0.00 C ATOM 409 O GLY A 28 8.160 10.414 -3.186 1.00 0.00 O ATOM 0 H GLY A 28 7.304 10.992 0.567 1.00 0.00 H new ATOM 0 HA2 GLY A 28 8.454 12.522 -1.758 1.00 0.00 H new ATOM 0 HA3 GLY A 28 9.428 11.482 -0.737 1.00 0.00 H new ATOM 413 N LYS A 29 7.510 9.386 -1.356 1.00 0.00 N ATOM 414 CA LYS A 29 7.100 8.179 -2.127 1.00 0.00 C ATOM 415 C LYS A 29 5.720 7.714 -1.653 1.00 0.00 C ATOM 416 O LYS A 29 5.374 7.834 -0.492 1.00 0.00 O ATOM 417 CB LYS A 29 8.125 7.066 -1.908 1.00 0.00 C ATOM 418 CG LYS A 29 9.387 7.378 -2.715 1.00 0.00 C ATOM 419 CD LYS A 29 9.076 7.281 -4.209 1.00 0.00 C ATOM 420 CE LYS A 29 9.678 5.993 -4.773 1.00 0.00 C ATOM 421 NZ LYS A 29 8.581 5.075 -5.188 1.00 0.00 N ATOM 0 H LYS A 29 7.364 9.329 -0.348 1.00 0.00 H new ATOM 0 HA LYS A 29 7.051 8.421 -3.189 1.00 0.00 H new ATOM 0 HB2 LYS A 29 8.368 6.982 -0.849 1.00 0.00 H new ATOM 0 HB3 LYS A 29 7.709 6.107 -2.217 1.00 0.00 H new ATOM 0 HG2 LYS A 29 9.748 8.377 -2.472 1.00 0.00 H new ATOM 0 HG3 LYS A 29 10.181 6.679 -2.452 1.00 0.00 H new ATOM 0 HD2 LYS A 29 7.998 7.291 -4.368 1.00 0.00 H new ATOM 0 HD3 LYS A 29 9.484 8.145 -4.733 1.00 0.00 H new ATOM 0 HE2 LYS A 29 10.319 6.221 -5.625 1.00 0.00 H new ATOM 0 HE3 LYS A 29 10.305 5.512 -4.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 8.980 4.277 -5.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 8.091 4.715 -4.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 7.905 5.590 -5.787 1.00 0.00 H new ATOM 435 N GLU A 30 4.918 7.186 -2.539 1.00 0.00 N ATOM 436 CA GLU A 30 3.566 6.732 -2.116 1.00 0.00 C ATOM 437 C GLU A 30 3.394 5.237 -2.390 1.00 0.00 C ATOM 438 O GLU A 30 3.955 4.689 -3.317 1.00 0.00 O ATOM 439 CB GLU A 30 2.490 7.511 -2.873 1.00 0.00 C ATOM 440 CG GLU A 30 2.930 8.966 -3.042 1.00 0.00 C ATOM 441 CD GLU A 30 3.242 9.238 -4.514 1.00 0.00 C ATOM 442 OE1 GLU A 30 4.329 8.886 -4.943 1.00 0.00 O ATOM 443 OE2 GLU A 30 2.391 9.795 -5.188 1.00 0.00 O ATOM 0 H GLU A 30 5.139 7.051 -3.526 1.00 0.00 H new ATOM 0 HA GLU A 30 3.463 6.914 -1.046 1.00 0.00 H new ATOM 0 HB2 GLU A 30 2.318 7.057 -3.849 1.00 0.00 H new ATOM 0 HB3 GLU A 30 1.546 7.467 -2.330 1.00 0.00 H new ATOM 0 HG2 GLU A 30 2.144 9.637 -2.696 1.00 0.00 H new ATOM 0 HG3 GLU A 30 3.810 9.164 -2.430 1.00 0.00 H new ATOM 450 N GLY A 31 2.601 4.582 -1.588 1.00 0.00 N ATOM 451 CA GLY A 31 2.358 3.128 -1.787 1.00 0.00 C ATOM 452 C GLY A 31 0.989 2.947 -2.440 1.00 0.00 C ATOM 453 O GLY A 31 0.307 3.906 -2.738 1.00 0.00 O ATOM 0 H GLY A 31 2.108 4.996 -0.797 1.00 0.00 H new ATOM 0 HA2 GLY A 31 3.137 2.697 -2.416 1.00 0.00 H new ATOM 0 HA3 GLY A 31 2.394 2.604 -0.832 1.00 0.00 H new ATOM 457 N LEU A 32 0.571 1.734 -2.665 1.00 0.00 N ATOM 458 CA LEU A 32 -0.762 1.531 -3.295 1.00 0.00 C ATOM 459 C LEU A 32 -1.399 0.235 -2.802 1.00 0.00 C ATOM 460 O LEU A 32 -0.880 -0.842 -3.014 1.00 0.00 O ATOM 461 CB LEU A 32 -0.627 1.449 -4.810 1.00 0.00 C ATOM 462 CG LEU A 32 -1.996 1.745 -5.417 1.00 0.00 C ATOM 463 CD1 LEU A 32 -1.948 3.079 -6.135 1.00 0.00 C ATOM 464 CD2 LEU A 32 -2.388 0.652 -6.407 1.00 0.00 C ATOM 0 H LEU A 32 1.088 0.883 -2.443 1.00 0.00 H new ATOM 0 HA LEU A 32 -1.389 2.379 -3.020 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.112 2.166 -5.167 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.282 0.459 -5.110 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.736 1.778 -4.618 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.924 3.294 -6.570 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -1.686 3.864 -5.426 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -1.199 3.040 -6.926 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.367 0.879 -6.830 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.649 0.603 -7.207 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.429 -0.308 -5.892 1.00 0.00 H new ATOM 476 N VAL A 33 -2.541 0.328 -2.184 1.00 0.00 N ATOM 477 CA VAL A 33 -3.232 -0.900 -1.726 1.00 0.00 C ATOM 478 C VAL A 33 -4.229 -1.311 -2.810 1.00 0.00 C ATOM 479 O VAL A 33 -5.427 -1.327 -2.601 1.00 0.00 O ATOM 480 CB VAL A 33 -3.983 -0.628 -0.422 1.00 0.00 C ATOM 481 CG1 VAL A 33 -4.653 -1.915 0.056 1.00 0.00 C ATOM 482 CG2 VAL A 33 -3.002 -0.136 0.644 1.00 0.00 C ATOM 0 H VAL A 33 -3.024 1.203 -1.978 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.505 -1.693 -1.548 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.741 0.136 -0.594 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -5.189 -1.723 0.986 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -5.355 -2.263 -0.702 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -3.894 -2.679 0.226 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -3.540 0.057 1.572 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -2.241 -0.897 0.817 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.525 0.783 0.303 1.00 0.00 H new ATOM 492 N HIS A 34 -3.750 -1.623 -3.981 1.00 0.00 N ATOM 493 CA HIS A 34 -4.685 -2.017 -5.063 1.00 0.00 C ATOM 494 C HIS A 34 -5.633 -3.098 -4.523 1.00 0.00 C ATOM 495 O HIS A 34 -5.345 -3.754 -3.541 1.00 0.00 O ATOM 496 CB HIS A 34 -3.904 -2.573 -6.254 1.00 0.00 C ATOM 497 CG HIS A 34 -4.731 -2.419 -7.501 1.00 0.00 C ATOM 498 ND1 HIS A 34 -5.053 -3.494 -8.314 1.00 0.00 N ATOM 499 CD2 HIS A 34 -5.318 -1.321 -8.083 1.00 0.00 C ATOM 500 CE1 HIS A 34 -5.800 -3.025 -9.330 1.00 0.00 C ATOM 501 NE2 HIS A 34 -5.991 -1.706 -9.238 1.00 0.00 N ATOM 0 H HIS A 34 -2.761 -1.622 -4.232 1.00 0.00 H new ATOM 0 HA HIS A 34 -5.254 -1.147 -5.391 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -2.957 -2.044 -6.363 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -3.665 -3.624 -6.089 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -5.265 -0.312 -7.701 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -6.197 -3.640 -10.124 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -6.517 -1.110 -9.877 1.00 0.00 H new ATOM 509 N ILE A 35 -6.760 -3.282 -5.150 1.00 0.00 N ATOM 510 CA ILE A 35 -7.735 -4.307 -4.680 1.00 0.00 C ATOM 511 C ILE A 35 -7.025 -5.643 -4.430 1.00 0.00 C ATOM 512 O ILE A 35 -7.150 -6.229 -3.371 1.00 0.00 O ATOM 513 CB ILE A 35 -8.818 -4.477 -5.753 1.00 0.00 C ATOM 514 CG1 ILE A 35 -9.697 -5.694 -5.433 1.00 0.00 C ATOM 515 CG2 ILE A 35 -8.154 -4.677 -7.117 1.00 0.00 C ATOM 516 CD1 ILE A 35 -10.761 -5.299 -4.408 1.00 0.00 C ATOM 0 H ILE A 35 -7.051 -2.761 -5.977 1.00 0.00 H new ATOM 0 HA ILE A 35 -8.187 -3.983 -3.743 1.00 0.00 H new ATOM 0 HB ILE A 35 -9.442 -3.583 -5.771 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -10.172 -6.062 -6.342 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -9.084 -6.506 -5.042 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -8.922 -4.798 -7.881 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -7.540 -3.808 -7.354 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -7.526 -5.568 -7.089 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -11.385 -6.163 -4.180 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -10.276 -4.951 -3.496 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -11.381 -4.501 -4.816 1.00 0.00 H new ATOM 528 N SER A 36 -6.297 -6.139 -5.394 1.00 0.00 N ATOM 529 CA SER A 36 -5.595 -7.443 -5.206 1.00 0.00 C ATOM 530 C SER A 36 -4.280 -7.241 -4.443 1.00 0.00 C ATOM 531 O SER A 36 -3.258 -7.788 -4.807 1.00 0.00 O ATOM 532 CB SER A 36 -5.299 -8.059 -6.573 1.00 0.00 C ATOM 533 OG SER A 36 -5.202 -9.472 -6.440 1.00 0.00 O ATOM 0 H SER A 36 -6.158 -5.698 -6.303 1.00 0.00 H new ATOM 0 HA SER A 36 -6.237 -8.108 -4.628 1.00 0.00 H new ATOM 0 HB2 SER A 36 -6.088 -7.802 -7.279 1.00 0.00 H new ATOM 0 HB3 SER A 36 -4.369 -7.655 -6.973 1.00 0.00 H new ATOM 0 HG SER A 36 -5.014 -9.871 -7.315 1.00 0.00 H new ATOM 539 N GLN A 37 -4.286 -6.468 -3.390 1.00 0.00 N ATOM 540 CA GLN A 37 -3.026 -6.250 -2.623 1.00 0.00 C ATOM 541 C GLN A 37 -3.352 -5.986 -1.150 1.00 0.00 C ATOM 542 O GLN A 37 -2.715 -5.178 -0.504 1.00 0.00 O ATOM 543 CB GLN A 37 -2.284 -5.042 -3.195 1.00 0.00 C ATOM 544 CG GLN A 37 -2.240 -5.140 -4.722 1.00 0.00 C ATOM 545 CD GLN A 37 -1.487 -3.935 -5.290 1.00 0.00 C ATOM 546 OE1 GLN A 37 -1.118 -3.037 -4.561 1.00 0.00 O ATOM 547 NE2 GLN A 37 -1.244 -3.880 -6.571 1.00 0.00 N ATOM 0 H GLN A 37 -5.106 -5.980 -3.029 1.00 0.00 H new ATOM 0 HA GLN A 37 -2.402 -7.140 -2.703 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -2.783 -4.121 -2.894 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -1.271 -5.002 -2.794 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -1.748 -6.065 -5.024 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -3.253 -5.172 -5.124 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -1.555 -4.635 -7.182 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -0.743 -3.082 -6.961 1.00 0.00 H new ATOM 556 N ILE A 38 -4.342 -6.646 -0.611 1.00 0.00 N ATOM 557 CA ILE A 38 -4.693 -6.407 0.818 1.00 0.00 C ATOM 558 C ILE A 38 -4.437 -7.668 1.645 1.00 0.00 C ATOM 559 O ILE A 38 -3.335 -7.926 2.086 1.00 0.00 O ATOM 560 CB ILE A 38 -6.168 -6.016 0.934 1.00 0.00 C ATOM 561 CG1 ILE A 38 -6.365 -4.598 0.395 1.00 0.00 C ATOM 562 CG2 ILE A 38 -6.584 -6.057 2.407 1.00 0.00 C ATOM 563 CD1 ILE A 38 -6.026 -4.565 -1.095 1.00 0.00 C ATOM 0 H ILE A 38 -4.919 -7.335 -1.094 1.00 0.00 H new ATOM 0 HA ILE A 38 -4.070 -5.597 1.198 1.00 0.00 H new ATOM 0 HB ILE A 38 -6.777 -6.712 0.357 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -7.395 -4.278 0.551 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -5.729 -3.900 0.939 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -7.634 -5.779 2.496 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -6.441 -7.064 2.798 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -5.974 -5.356 2.977 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -6.167 -3.554 -1.478 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -4.988 -4.866 -1.239 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -6.681 -5.251 -1.632 1.00 0.00 H new ATOM 575 N ALA A 39 -5.457 -8.444 1.870 1.00 0.00 N ATOM 576 CA ALA A 39 -5.299 -9.681 2.681 1.00 0.00 C ATOM 577 C ALA A 39 -5.126 -10.882 1.749 1.00 0.00 C ATOM 578 O ALA A 39 -5.817 -11.874 1.868 1.00 0.00 O ATOM 579 CB ALA A 39 -6.547 -9.873 3.546 1.00 0.00 C ATOM 0 H ALA A 39 -6.401 -8.273 1.524 1.00 0.00 H new ATOM 0 HA ALA A 39 -4.421 -9.595 3.321 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -6.440 -10.778 4.144 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -6.668 -9.014 4.206 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -7.424 -9.964 2.905 1.00 0.00 H new ATOM 585 N ASP A 40 -4.206 -10.791 0.826 1.00 0.00 N ATOM 586 CA ASP A 40 -3.967 -11.917 -0.124 1.00 0.00 C ATOM 587 C ASP A 40 -4.979 -11.861 -1.272 1.00 0.00 C ATOM 588 O ASP A 40 -4.634 -12.077 -2.417 1.00 0.00 O ATOM 589 CB ASP A 40 -4.095 -13.254 0.607 1.00 0.00 C ATOM 590 CG ASP A 40 -3.425 -13.152 1.978 1.00 0.00 C ATOM 591 OD1 ASP A 40 -2.237 -12.876 2.015 1.00 0.00 O ATOM 592 OD2 ASP A 40 -4.111 -13.352 2.967 1.00 0.00 O ATOM 0 H ASP A 40 -3.605 -9.978 0.688 1.00 0.00 H new ATOM 0 HA ASP A 40 -2.960 -11.824 -0.530 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -5.146 -13.518 0.723 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -3.630 -14.047 0.021 1.00 0.00 H new ATOM 597 N LYS A 41 -6.223 -11.581 -0.988 1.00 0.00 N ATOM 598 CA LYS A 41 -7.226 -11.528 -2.088 1.00 0.00 C ATOM 599 C LYS A 41 -8.647 -11.406 -1.523 1.00 0.00 C ATOM 600 O LYS A 41 -9.552 -10.962 -2.202 1.00 0.00 O ATOM 601 CB LYS A 41 -7.123 -12.815 -2.906 1.00 0.00 C ATOM 602 CG LYS A 41 -6.752 -12.479 -4.352 1.00 0.00 C ATOM 603 CD LYS A 41 -7.620 -13.303 -5.305 1.00 0.00 C ATOM 604 CE LYS A 41 -6.806 -14.476 -5.855 1.00 0.00 C ATOM 605 NZ LYS A 41 -7.224 -15.735 -5.177 1.00 0.00 N ATOM 0 H LYS A 41 -6.584 -11.389 -0.054 1.00 0.00 H new ATOM 0 HA LYS A 41 -7.024 -10.657 -2.712 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -6.372 -13.474 -2.471 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -8.072 -13.351 -2.879 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -6.898 -11.415 -4.538 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -5.697 -12.692 -4.527 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -8.502 -13.673 -4.782 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -7.974 -12.677 -6.124 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -6.956 -14.563 -6.931 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -5.742 -14.301 -5.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -6.670 -16.531 -5.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -7.059 -15.650 -4.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -8.235 -15.904 -5.352 1.00 0.00 H new ATOM 619 N ARG A 42 -8.863 -11.812 -0.302 1.00 0.00 N ATOM 620 CA ARG A 42 -10.237 -11.732 0.274 1.00 0.00 C ATOM 621 C ARG A 42 -10.554 -10.307 0.741 1.00 0.00 C ATOM 622 O ARG A 42 -10.530 -10.013 1.918 1.00 0.00 O ATOM 623 CB ARG A 42 -10.346 -12.691 1.460 1.00 0.00 C ATOM 624 CG ARG A 42 -11.246 -13.868 1.079 1.00 0.00 C ATOM 625 CD ARG A 42 -11.371 -14.828 2.264 1.00 0.00 C ATOM 626 NE ARG A 42 -10.108 -14.814 3.053 1.00 0.00 N ATOM 627 CZ ARG A 42 -10.155 -14.785 4.357 1.00 0.00 C ATOM 628 NH1 ARG A 42 -10.372 -15.885 5.025 1.00 0.00 N ATOM 629 NH2 ARG A 42 -9.992 -13.655 4.992 1.00 0.00 N ATOM 0 H ARG A 42 -8.151 -12.194 0.320 1.00 0.00 H new ATOM 0 HA ARG A 42 -10.953 -12.009 -0.499 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -9.357 -13.052 1.743 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -10.755 -12.171 2.326 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -12.232 -13.505 0.788 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -10.831 -14.391 0.217 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -12.210 -14.535 2.896 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -11.578 -15.837 1.907 1.00 0.00 H new ATOM 0 HE ARG A 42 -9.207 -14.827 2.575 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -10.505 -16.766 4.528 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -10.409 -15.864 6.044 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -9.828 -12.795 4.469 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -10.029 -13.633 6.011 1.00 0.00 H new ATOM 643 N VAL A 43 -10.876 -9.429 -0.172 1.00 0.00 N ATOM 644 CA VAL A 43 -11.226 -8.029 0.213 1.00 0.00 C ATOM 645 C VAL A 43 -12.329 -7.522 -0.722 1.00 0.00 C ATOM 646 O VAL A 43 -12.135 -6.597 -1.484 1.00 0.00 O ATOM 647 CB VAL A 43 -9.999 -7.128 0.092 1.00 0.00 C ATOM 648 CG1 VAL A 43 -10.415 -5.667 0.268 1.00 0.00 C ATOM 649 CG2 VAL A 43 -8.998 -7.503 1.179 1.00 0.00 C ATOM 0 H VAL A 43 -10.912 -9.622 -1.173 1.00 0.00 H new ATOM 0 HA VAL A 43 -11.573 -8.011 1.246 1.00 0.00 H new ATOM 0 HB VAL A 43 -9.545 -7.257 -0.891 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -9.538 -5.026 0.181 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -11.138 -5.399 -0.503 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -10.866 -5.533 1.251 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -8.118 -6.864 1.100 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -9.457 -7.369 2.158 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -8.702 -8.545 1.057 1.00 0.00 H new ATOM 659 N GLU A 44 -13.480 -8.139 -0.674 1.00 0.00 N ATOM 660 CA GLU A 44 -14.608 -7.724 -1.561 1.00 0.00 C ATOM 661 C GLU A 44 -14.650 -6.200 -1.699 1.00 0.00 C ATOM 662 O GLU A 44 -15.090 -5.673 -2.702 1.00 0.00 O ATOM 663 CB GLU A 44 -15.927 -8.210 -0.958 1.00 0.00 C ATOM 664 CG GLU A 44 -17.085 -7.832 -1.885 1.00 0.00 C ATOM 665 CD GLU A 44 -16.857 -8.446 -3.268 1.00 0.00 C ATOM 666 OE1 GLU A 44 -16.630 -9.643 -3.333 1.00 0.00 O ATOM 667 OE2 GLU A 44 -16.914 -7.709 -4.238 1.00 0.00 O ATOM 0 H GLU A 44 -13.689 -8.920 -0.052 1.00 0.00 H new ATOM 0 HA GLU A 44 -14.460 -8.163 -2.547 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -15.898 -9.291 -0.817 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -16.075 -7.764 0.026 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -18.028 -8.187 -1.469 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -17.161 -6.748 -1.965 1.00 0.00 H new ATOM 674 N LYS A 45 -14.208 -5.483 -0.705 1.00 0.00 N ATOM 675 CA LYS A 45 -14.241 -3.998 -0.796 1.00 0.00 C ATOM 676 C LYS A 45 -12.897 -3.418 -0.357 1.00 0.00 C ATOM 677 O LYS A 45 -12.363 -3.774 0.674 1.00 0.00 O ATOM 678 CB LYS A 45 -15.346 -3.460 0.114 1.00 0.00 C ATOM 679 CG LYS A 45 -16.603 -3.191 -0.713 1.00 0.00 C ATOM 680 CD LYS A 45 -17.265 -1.901 -0.223 1.00 0.00 C ATOM 681 CE LYS A 45 -18.785 -2.059 -0.261 1.00 0.00 C ATOM 682 NZ LYS A 45 -19.314 -1.482 -1.529 1.00 0.00 N ATOM 0 H LYS A 45 -13.827 -5.859 0.163 1.00 0.00 H new ATOM 0 HA LYS A 45 -14.437 -3.706 -1.828 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -15.564 -4.180 0.903 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -15.016 -2.543 0.602 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -16.346 -3.103 -1.769 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -17.297 -4.026 -0.623 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -16.938 -1.675 0.792 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -16.960 -1.063 -0.850 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -19.053 -3.113 -0.189 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -19.235 -1.556 0.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -20.348 -1.590 -1.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -19.070 -0.472 -1.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -18.894 -1.981 -2.339 1.00 0.00 H new ATOM 696 N VAL A 46 -12.356 -2.512 -1.125 1.00 0.00 N ATOM 697 CA VAL A 46 -11.050 -1.895 -0.737 1.00 0.00 C ATOM 698 C VAL A 46 -11.321 -0.824 0.317 1.00 0.00 C ATOM 699 O VAL A 46 -10.477 -0.506 1.136 1.00 0.00 O ATOM 700 CB VAL A 46 -10.348 -1.251 -1.951 1.00 0.00 C ATOM 701 CG1 VAL A 46 -8.990 -1.922 -2.171 1.00 0.00 C ATOM 702 CG2 VAL A 46 -11.191 -1.408 -3.221 1.00 0.00 C ATOM 0 H VAL A 46 -12.757 -2.172 -1.999 1.00 0.00 H new ATOM 0 HA VAL A 46 -10.394 -2.672 -0.345 1.00 0.00 H new ATOM 0 HB VAL A 46 -10.217 -0.189 -1.745 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -8.494 -1.467 -3.029 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -8.372 -1.792 -1.283 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -9.136 -2.986 -2.358 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -10.673 -0.945 -4.061 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -11.344 -2.467 -3.428 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -12.157 -0.923 -3.079 1.00 0.00 H new ATOM 712 N THR A 47 -12.508 -0.279 0.309 1.00 0.00 N ATOM 713 CA THR A 47 -12.865 0.763 1.310 1.00 0.00 C ATOM 714 C THR A 47 -13.160 0.094 2.656 1.00 0.00 C ATOM 715 O THR A 47 -13.549 0.741 3.608 1.00 0.00 O ATOM 716 CB THR A 47 -14.111 1.513 0.835 1.00 0.00 C ATOM 717 OG1 THR A 47 -15.067 0.579 0.352 1.00 0.00 O ATOM 718 CG2 THR A 47 -13.728 2.481 -0.285 1.00 0.00 C ATOM 0 H THR A 47 -13.248 -0.513 -0.352 1.00 0.00 H new ATOM 0 HA THR A 47 -12.036 1.462 1.423 1.00 0.00 H new ATOM 0 HB THR A 47 -14.539 2.074 1.666 1.00 0.00 H new ATOM 0 HG1 THR A 47 -15.269 -0.075 1.054 1.00 0.00 H new ATOM 0 HG21 THR A 47 -14.616 3.015 -0.623 1.00 0.00 H new ATOM 0 HG22 THR A 47 -12.994 3.196 0.087 1.00 0.00 H new ATOM 0 HG23 THR A 47 -13.301 1.923 -1.118 1.00 0.00 H new ATOM 726 N ASP A 48 -12.975 -1.197 2.746 1.00 0.00 N ATOM 727 CA ASP A 48 -13.239 -1.902 4.030 1.00 0.00 C ATOM 728 C ASP A 48 -11.903 -2.274 4.665 1.00 0.00 C ATOM 729 O ASP A 48 -11.770 -2.344 5.872 1.00 0.00 O ATOM 730 CB ASP A 48 -14.044 -3.177 3.763 1.00 0.00 C ATOM 731 CG ASP A 48 -15.305 -2.831 2.971 1.00 0.00 C ATOM 732 OD1 ASP A 48 -15.381 -1.721 2.471 1.00 0.00 O ATOM 733 OD2 ASP A 48 -16.173 -3.682 2.877 1.00 0.00 O ATOM 0 H ASP A 48 -12.652 -1.792 1.983 1.00 0.00 H new ATOM 0 HA ASP A 48 -13.806 -1.254 4.698 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -13.438 -3.892 3.207 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -14.314 -3.653 4.706 1.00 0.00 H new ATOM 738 N TYR A 49 -10.911 -2.509 3.855 1.00 0.00 N ATOM 739 CA TYR A 49 -9.577 -2.872 4.397 1.00 0.00 C ATOM 740 C TYR A 49 -8.742 -1.605 4.571 1.00 0.00 C ATOM 741 O TYR A 49 -7.909 -1.519 5.451 1.00 0.00 O ATOM 742 CB TYR A 49 -8.875 -3.823 3.432 1.00 0.00 C ATOM 743 CG TYR A 49 -9.553 -5.170 3.489 1.00 0.00 C ATOM 744 CD1 TYR A 49 -10.865 -5.307 3.022 1.00 0.00 C ATOM 745 CD2 TYR A 49 -8.881 -6.277 4.020 1.00 0.00 C ATOM 746 CE1 TYR A 49 -11.507 -6.547 3.086 1.00 0.00 C ATOM 747 CE2 TYR A 49 -9.524 -7.517 4.087 1.00 0.00 C ATOM 748 CZ TYR A 49 -10.837 -7.654 3.621 1.00 0.00 C ATOM 749 OH TYR A 49 -11.473 -8.876 3.692 1.00 0.00 O ATOM 0 H TYR A 49 -10.968 -2.465 2.838 1.00 0.00 H new ATOM 0 HA TYR A 49 -9.695 -3.364 5.362 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -8.912 -3.425 2.418 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -7.822 -3.920 3.698 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -11.383 -4.453 2.611 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -7.867 -6.174 4.378 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -12.519 -6.651 2.723 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -9.007 -8.371 4.499 1.00 0.00 H new ATOM 0 HH TYR A 49 -11.125 -9.467 2.992 1.00 0.00 H new ATOM 759 N LEU A 50 -8.957 -0.617 3.742 1.00 0.00 N ATOM 760 CA LEU A 50 -8.164 0.639 3.881 1.00 0.00 C ATOM 761 C LEU A 50 -9.044 1.739 4.475 1.00 0.00 C ATOM 762 O LEU A 50 -10.218 1.837 4.179 1.00 0.00 O ATOM 763 CB LEU A 50 -7.657 1.089 2.505 1.00 0.00 C ATOM 764 CG LEU A 50 -6.122 1.142 2.481 1.00 0.00 C ATOM 765 CD1 LEU A 50 -5.668 2.041 1.331 1.00 0.00 C ATOM 766 CD2 LEU A 50 -5.588 1.716 3.797 1.00 0.00 C ATOM 0 H LEU A 50 -9.639 -0.625 2.984 1.00 0.00 H new ATOM 0 HA LEU A 50 -7.315 0.452 4.539 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -8.014 0.402 1.738 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -8.063 2.072 2.266 1.00 0.00 H new ATOM 0 HG LEU A 50 -5.737 0.131 2.348 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -4.579 2.082 1.309 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -6.035 1.637 0.387 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -6.066 3.045 1.475 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.499 1.747 3.765 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -5.976 2.725 3.938 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -5.909 1.085 4.626 1.00 0.00 H new ATOM 778 N GLN A 51 -8.483 2.574 5.306 1.00 0.00 N ATOM 779 CA GLN A 51 -9.280 3.677 5.912 1.00 0.00 C ATOM 780 C GLN A 51 -8.517 4.990 5.748 1.00 0.00 C ATOM 781 O GLN A 51 -7.350 5.084 6.066 1.00 0.00 O ATOM 782 CB GLN A 51 -9.498 3.399 7.400 1.00 0.00 C ATOM 783 CG GLN A 51 -10.443 4.451 7.981 1.00 0.00 C ATOM 784 CD GLN A 51 -11.420 3.779 8.947 1.00 0.00 C ATOM 785 OE1 GLN A 51 -11.104 3.566 10.100 1.00 0.00 O ATOM 786 NE2 GLN A 51 -12.604 3.434 8.520 1.00 0.00 N ATOM 0 H GLN A 51 -7.504 2.539 5.592 1.00 0.00 H new ATOM 0 HA GLN A 51 -10.247 3.745 5.414 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -9.917 2.402 7.537 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -8.545 3.419 7.928 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -9.872 5.221 8.501 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -10.990 4.947 7.179 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -12.869 3.613 7.551 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -13.264 2.985 9.155 1.00 0.00 H new ATOM 795 N MET A 52 -9.163 6.005 5.248 1.00 0.00 N ATOM 796 CA MET A 52 -8.469 7.310 5.063 1.00 0.00 C ATOM 797 C MET A 52 -8.046 7.867 6.426 1.00 0.00 C ATOM 798 O MET A 52 -8.870 8.138 7.278 1.00 0.00 O ATOM 799 CB MET A 52 -9.416 8.298 4.380 1.00 0.00 C ATOM 800 CG MET A 52 -9.438 8.027 2.875 1.00 0.00 C ATOM 801 SD MET A 52 -9.811 9.562 1.992 1.00 0.00 S ATOM 802 CE MET A 52 -10.437 8.804 0.473 1.00 0.00 C ATOM 0 H MET A 52 -10.141 5.988 4.959 1.00 0.00 H new ATOM 0 HA MET A 52 -7.585 7.164 4.443 1.00 0.00 H new ATOM 0 HB2 MET A 52 -10.420 8.200 4.793 1.00 0.00 H new ATOM 0 HB3 MET A 52 -9.091 9.321 4.571 1.00 0.00 H new ATOM 0 HG2 MET A 52 -8.474 7.633 2.551 1.00 0.00 H new ATOM 0 HG3 MET A 52 -10.186 7.270 2.642 1.00 0.00 H new ATOM 0 HE1 MET A 52 -10.731 9.585 -0.229 1.00 0.00 H new ATOM 0 HE2 MET A 52 -9.657 8.189 0.025 1.00 0.00 H new ATOM 0 HE3 MET A 52 -11.301 8.181 0.706 1.00 0.00 H new ATOM 812 N GLY A 53 -6.770 8.041 6.639 1.00 0.00 N ATOM 813 CA GLY A 53 -6.298 8.583 7.946 1.00 0.00 C ATOM 814 C GLY A 53 -5.687 7.456 8.781 1.00 0.00 C ATOM 815 O GLY A 53 -4.887 7.690 9.665 1.00 0.00 O ATOM 0 H GLY A 53 -6.034 7.831 5.965 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -5.559 9.367 7.780 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -7.130 9.037 8.484 1.00 0.00 H new ATOM 819 N GLN A 54 -6.057 6.236 8.510 1.00 0.00 N ATOM 820 CA GLN A 54 -5.499 5.097 9.289 1.00 0.00 C ATOM 821 C GLN A 54 -4.046 4.855 8.877 1.00 0.00 C ATOM 822 O GLN A 54 -3.466 5.619 8.132 1.00 0.00 O ATOM 823 CB GLN A 54 -6.325 3.838 9.016 1.00 0.00 C ATOM 824 CG GLN A 54 -7.485 3.770 10.009 1.00 0.00 C ATOM 825 CD GLN A 54 -7.870 2.309 10.246 1.00 0.00 C ATOM 826 OE1 GLN A 54 -8.418 1.973 11.278 1.00 0.00 O ATOM 827 NE2 GLN A 54 -7.607 1.419 9.328 1.00 0.00 N ATOM 0 H GLN A 54 -6.723 5.978 7.781 1.00 0.00 H new ATOM 0 HA GLN A 54 -5.538 5.333 10.352 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -6.706 3.853 7.995 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -5.699 2.951 9.109 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -7.199 4.239 10.951 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -8.341 4.324 9.623 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -7.147 1.700 8.462 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -7.861 0.442 9.477 1.00 0.00 H new ATOM 836 N GLU A 55 -3.451 3.796 9.358 1.00 0.00 N ATOM 837 CA GLU A 55 -2.034 3.504 8.997 1.00 0.00 C ATOM 838 C GLU A 55 -1.758 2.007 9.176 1.00 0.00 C ATOM 839 O GLU A 55 -2.038 1.435 10.211 1.00 0.00 O ATOM 840 CB GLU A 55 -1.103 4.310 9.904 1.00 0.00 C ATOM 841 CG GLU A 55 -0.522 5.491 9.122 1.00 0.00 C ATOM 842 CD GLU A 55 0.490 6.232 9.995 1.00 0.00 C ATOM 843 OE1 GLU A 55 1.326 5.572 10.590 1.00 0.00 O ATOM 844 OE2 GLU A 55 0.411 7.449 10.056 1.00 0.00 O ATOM 0 H GLU A 55 -3.886 3.120 9.986 1.00 0.00 H new ATOM 0 HA GLU A 55 -1.858 3.781 7.958 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -1.650 4.671 10.775 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -0.298 3.674 10.274 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -0.041 5.136 8.211 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -1.321 6.168 8.818 1.00 0.00 H new ATOM 851 N VAL A 56 -1.213 1.368 8.175 1.00 0.00 N ATOM 852 CA VAL A 56 -0.923 -0.090 8.289 1.00 0.00 C ATOM 853 C VAL A 56 0.535 -0.359 7.902 1.00 0.00 C ATOM 854 O VAL A 56 1.074 0.296 7.031 1.00 0.00 O ATOM 855 CB VAL A 56 -1.844 -0.867 7.344 1.00 0.00 C ATOM 856 CG1 VAL A 56 -3.275 -0.825 7.879 1.00 0.00 C ATOM 857 CG2 VAL A 56 -1.800 -0.230 5.954 1.00 0.00 C ATOM 0 H VAL A 56 -0.956 1.793 7.284 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.092 -0.410 9.317 1.00 0.00 H new ATOM 0 HB VAL A 56 -1.511 -1.903 7.280 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -3.931 -1.378 7.207 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -3.306 -1.278 8.870 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -3.610 0.210 7.942 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -2.455 -0.782 5.280 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -2.134 0.806 6.018 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -0.779 -0.259 5.573 1.00 0.00 H new ATOM 867 N PRO A 57 1.129 -1.324 8.561 1.00 0.00 N ATOM 868 CA PRO A 57 2.525 -1.715 8.309 1.00 0.00 C ATOM 869 C PRO A 57 2.607 -2.607 7.068 1.00 0.00 C ATOM 870 O PRO A 57 1.768 -3.459 6.849 1.00 0.00 O ATOM 871 CB PRO A 57 2.911 -2.498 9.567 1.00 0.00 C ATOM 872 CG PRO A 57 1.588 -2.997 10.193 1.00 0.00 C ATOM 873 CD PRO A 57 0.464 -2.112 9.619 1.00 0.00 C ATOM 0 HA PRO A 57 3.184 -0.867 8.123 1.00 0.00 H new ATOM 0 HB2 PRO A 57 3.563 -3.335 9.319 1.00 0.00 H new ATOM 0 HB3 PRO A 57 3.457 -1.865 10.266 1.00 0.00 H new ATOM 0 HG2 PRO A 57 1.417 -4.046 9.950 1.00 0.00 H new ATOM 0 HG3 PRO A 57 1.622 -2.923 11.280 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -0.350 -2.714 9.215 1.00 0.00 H new ATOM 0 HD3 PRO A 57 0.034 -1.467 10.385 1.00 0.00 H new ATOM 881 N VAL A 58 3.607 -2.419 6.252 1.00 0.00 N ATOM 882 CA VAL A 58 3.730 -3.259 5.028 1.00 0.00 C ATOM 883 C VAL A 58 5.206 -3.578 4.764 1.00 0.00 C ATOM 884 O VAL A 58 6.084 -3.191 5.512 1.00 0.00 O ATOM 885 CB VAL A 58 3.129 -2.510 3.830 1.00 0.00 C ATOM 886 CG1 VAL A 58 1.943 -1.667 4.301 1.00 0.00 C ATOM 887 CG2 VAL A 58 4.182 -1.594 3.194 1.00 0.00 C ATOM 0 H VAL A 58 4.342 -1.723 6.379 1.00 0.00 H new ATOM 0 HA VAL A 58 3.188 -4.194 5.173 1.00 0.00 H new ATOM 0 HB VAL A 58 2.796 -3.237 3.089 1.00 0.00 H new ATOM 0 HG11 VAL A 58 1.515 -1.134 3.452 1.00 0.00 H new ATOM 0 HG12 VAL A 58 1.186 -2.317 4.740 1.00 0.00 H new ATOM 0 HG13 VAL A 58 2.281 -0.948 5.047 1.00 0.00 H new ATOM 0 HG21 VAL A 58 3.743 -1.069 2.346 1.00 0.00 H new ATOM 0 HG22 VAL A 58 4.526 -0.869 3.931 1.00 0.00 H new ATOM 0 HG23 VAL A 58 5.026 -2.193 2.852 1.00 0.00 H new ATOM 897 N LYS A 59 5.480 -4.276 3.697 1.00 0.00 N ATOM 898 CA LYS A 59 6.889 -4.623 3.369 1.00 0.00 C ATOM 899 C LYS A 59 7.200 -4.190 1.936 1.00 0.00 C ATOM 900 O LYS A 59 6.622 -4.686 0.990 1.00 0.00 O ATOM 901 CB LYS A 59 7.079 -6.134 3.484 1.00 0.00 C ATOM 902 CG LYS A 59 6.735 -6.592 4.902 1.00 0.00 C ATOM 903 CD LYS A 59 6.944 -8.104 5.008 1.00 0.00 C ATOM 904 CE LYS A 59 7.960 -8.403 6.111 1.00 0.00 C ATOM 905 NZ LYS A 59 9.339 -8.221 5.577 1.00 0.00 N ATOM 0 H LYS A 59 4.785 -4.622 3.036 1.00 0.00 H new ATOM 0 HA LYS A 59 7.558 -4.112 4.062 1.00 0.00 H new ATOM 0 HB2 LYS A 59 6.443 -6.646 2.762 1.00 0.00 H new ATOM 0 HB3 LYS A 59 8.109 -6.400 3.246 1.00 0.00 H new ATOM 0 HG2 LYS A 59 7.364 -6.074 5.627 1.00 0.00 H new ATOM 0 HG3 LYS A 59 5.702 -6.338 5.138 1.00 0.00 H new ATOM 0 HD2 LYS A 59 5.997 -8.598 5.227 1.00 0.00 H new ATOM 0 HD3 LYS A 59 7.298 -8.500 4.056 1.00 0.00 H new ATOM 0 HE2 LYS A 59 7.797 -7.740 6.960 1.00 0.00 H new ATOM 0 HE3 LYS A 59 7.830 -9.423 6.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 10.031 -8.424 6.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 9.491 -8.871 4.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 9.459 -7.240 5.252 1.00 0.00 H new ATOM 919 N VAL A 60 8.111 -3.275 1.765 1.00 0.00 N ATOM 920 CA VAL A 60 8.457 -2.822 0.391 1.00 0.00 C ATOM 921 C VAL A 60 8.759 -4.041 -0.484 1.00 0.00 C ATOM 922 O VAL A 60 9.840 -4.594 -0.443 1.00 0.00 O ATOM 923 CB VAL A 60 9.686 -1.917 0.451 1.00 0.00 C ATOM 924 CG1 VAL A 60 9.886 -1.231 -0.900 1.00 0.00 C ATOM 925 CG2 VAL A 60 9.475 -0.857 1.529 1.00 0.00 C ATOM 0 H VAL A 60 8.631 -2.822 2.517 1.00 0.00 H new ATOM 0 HA VAL A 60 7.620 -2.269 -0.035 1.00 0.00 H new ATOM 0 HB VAL A 60 10.567 -2.514 0.686 1.00 0.00 H new ATOM 0 HG11 VAL A 60 10.763 -0.586 -0.854 1.00 0.00 H new ATOM 0 HG12 VAL A 60 10.030 -1.985 -1.673 1.00 0.00 H new ATOM 0 HG13 VAL A 60 9.007 -0.632 -1.137 1.00 0.00 H new ATOM 0 HG21 VAL A 60 10.349 -0.208 1.577 1.00 0.00 H new ATOM 0 HG22 VAL A 60 8.594 -0.262 1.287 1.00 0.00 H new ATOM 0 HG23 VAL A 60 9.331 -1.343 2.494 1.00 0.00 H new ATOM 935 N LEU A 61 7.809 -4.466 -1.271 1.00 0.00 N ATOM 936 CA LEU A 61 8.035 -5.646 -2.138 1.00 0.00 C ATOM 937 C LEU A 61 8.911 -5.248 -3.327 1.00 0.00 C ATOM 938 O LEU A 61 9.455 -6.089 -4.015 1.00 0.00 O ATOM 939 CB LEU A 61 6.689 -6.155 -2.642 1.00 0.00 C ATOM 940 CG LEU A 61 6.806 -7.636 -3.002 1.00 0.00 C ATOM 941 CD1 LEU A 61 6.893 -8.463 -1.719 1.00 0.00 C ATOM 942 CD2 LEU A 61 5.574 -8.063 -3.803 1.00 0.00 C ATOM 0 H LEU A 61 6.884 -4.042 -1.348 1.00 0.00 H new ATOM 0 HA LEU A 61 8.537 -6.430 -1.571 1.00 0.00 H new ATOM 0 HB2 LEU A 61 5.926 -6.015 -1.877 1.00 0.00 H new ATOM 0 HB3 LEU A 61 6.375 -5.582 -3.514 1.00 0.00 H new ATOM 0 HG LEU A 61 7.702 -7.798 -3.601 1.00 0.00 H new ATOM 0 HD11 LEU A 61 6.977 -9.520 -1.972 1.00 0.00 H new ATOM 0 HD12 LEU A 61 7.769 -8.157 -1.147 1.00 0.00 H new ATOM 0 HD13 LEU A 61 5.996 -8.303 -1.121 1.00 0.00 H new ATOM 0 HD21 LEU A 61 5.656 -9.119 -4.061 1.00 0.00 H new ATOM 0 HD22 LEU A 61 4.677 -7.904 -3.204 1.00 0.00 H new ATOM 0 HD23 LEU A 61 5.510 -7.471 -4.716 1.00 0.00 H new ATOM 954 N GLU A 62 9.031 -3.966 -3.567 1.00 0.00 N ATOM 955 CA GLU A 62 9.859 -3.453 -4.708 1.00 0.00 C ATOM 956 C GLU A 62 8.969 -3.269 -5.937 1.00 0.00 C ATOM 957 O GLU A 62 7.771 -3.445 -5.875 1.00 0.00 O ATOM 958 CB GLU A 62 10.997 -4.424 -5.037 1.00 0.00 C ATOM 959 CG GLU A 62 12.203 -3.642 -5.561 1.00 0.00 C ATOM 960 CD GLU A 62 13.494 -4.335 -5.121 1.00 0.00 C ATOM 961 OE1 GLU A 62 13.467 -5.542 -4.949 1.00 0.00 O ATOM 962 OE2 GLU A 62 14.489 -3.645 -4.966 1.00 0.00 O ATOM 0 H GLU A 62 8.582 -3.238 -3.011 1.00 0.00 H new ATOM 0 HA GLU A 62 10.296 -2.497 -4.419 1.00 0.00 H new ATOM 0 HB2 GLU A 62 11.276 -4.989 -4.147 1.00 0.00 H new ATOM 0 HB3 GLU A 62 10.667 -5.147 -5.783 1.00 0.00 H new ATOM 0 HG2 GLU A 62 12.164 -3.580 -6.649 1.00 0.00 H new ATOM 0 HG3 GLU A 62 12.179 -2.620 -5.182 1.00 0.00 H new ATOM 969 N VAL A 63 9.538 -2.906 -7.054 1.00 0.00 N ATOM 970 CA VAL A 63 8.706 -2.703 -8.275 1.00 0.00 C ATOM 971 C VAL A 63 9.202 -3.616 -9.400 1.00 0.00 C ATOM 972 O VAL A 63 9.977 -4.525 -9.180 1.00 0.00 O ATOM 973 CB VAL A 63 8.799 -1.243 -8.725 1.00 0.00 C ATOM 974 CG1 VAL A 63 7.489 -0.833 -9.399 1.00 0.00 C ATOM 975 CG2 VAL A 63 9.047 -0.343 -7.509 1.00 0.00 C ATOM 0 H VAL A 63 10.537 -2.742 -7.174 1.00 0.00 H new ATOM 0 HA VAL A 63 7.669 -2.947 -8.044 1.00 0.00 H new ATOM 0 HB VAL A 63 9.623 -1.135 -9.430 1.00 0.00 H new ATOM 0 HG11 VAL A 63 7.555 0.207 -9.720 1.00 0.00 H new ATOM 0 HG12 VAL A 63 7.311 -1.470 -10.266 1.00 0.00 H new ATOM 0 HG13 VAL A 63 6.666 -0.944 -8.693 1.00 0.00 H new ATOM 0 HG21 VAL A 63 9.113 0.696 -7.833 1.00 0.00 H new ATOM 0 HG22 VAL A 63 8.224 -0.452 -6.802 1.00 0.00 H new ATOM 0 HG23 VAL A 63 9.981 -0.632 -7.026 1.00 0.00 H new ATOM 985 N ASP A 64 8.753 -3.381 -10.605 1.00 0.00 N ATOM 986 CA ASP A 64 9.189 -4.237 -11.745 1.00 0.00 C ATOM 987 C ASP A 64 9.541 -3.352 -12.950 1.00 0.00 C ATOM 988 O ASP A 64 10.145 -2.307 -12.805 1.00 0.00 O ATOM 989 CB ASP A 64 8.054 -5.196 -12.116 1.00 0.00 C ATOM 990 CG ASP A 64 6.870 -4.401 -12.669 1.00 0.00 C ATOM 991 OD1 ASP A 64 6.288 -3.640 -11.914 1.00 0.00 O ATOM 992 OD2 ASP A 64 6.563 -4.567 -13.838 1.00 0.00 O ATOM 0 H ASP A 64 8.103 -2.633 -10.848 1.00 0.00 H new ATOM 0 HA ASP A 64 10.070 -4.811 -11.458 1.00 0.00 H new ATOM 0 HB2 ASP A 64 8.400 -5.915 -12.858 1.00 0.00 H new ATOM 0 HB3 ASP A 64 7.745 -5.766 -11.240 1.00 0.00 H new ATOM 997 N ARG A 65 9.177 -3.764 -14.137 1.00 0.00 N ATOM 998 CA ARG A 65 9.499 -2.949 -15.343 1.00 0.00 C ATOM 999 C ARG A 65 8.705 -1.641 -15.315 1.00 0.00 C ATOM 1000 O ARG A 65 9.136 -0.631 -15.837 1.00 0.00 O ATOM 1001 CB ARG A 65 9.135 -3.742 -16.600 1.00 0.00 C ATOM 1002 CG ARG A 65 9.696 -3.033 -17.833 1.00 0.00 C ATOM 1003 CD ARG A 65 11.116 -3.532 -18.106 1.00 0.00 C ATOM 1004 NE ARG A 65 12.098 -2.617 -17.461 1.00 0.00 N ATOM 1005 CZ ARG A 65 13.220 -2.332 -18.065 1.00 0.00 C ATOM 1006 NH1 ARG A 65 13.224 -1.524 -19.090 1.00 0.00 N ATOM 1007 NH2 ARG A 65 14.338 -2.854 -17.643 1.00 0.00 N ATOM 0 H ARG A 65 8.671 -4.630 -14.322 1.00 0.00 H new ATOM 0 HA ARG A 65 10.564 -2.719 -15.349 1.00 0.00 H new ATOM 0 HB2 ARG A 65 9.538 -4.753 -16.534 1.00 0.00 H new ATOM 0 HB3 ARG A 65 8.052 -3.835 -16.683 1.00 0.00 H new ATOM 0 HG2 ARG A 65 9.059 -3.224 -18.697 1.00 0.00 H new ATOM 0 HG3 ARG A 65 9.702 -1.955 -17.674 1.00 0.00 H new ATOM 0 HD2 ARG A 65 11.238 -4.544 -17.719 1.00 0.00 H new ATOM 0 HD3 ARG A 65 11.296 -3.577 -19.180 1.00 0.00 H new ATOM 0 HE ARG A 65 11.894 -2.213 -16.547 1.00 0.00 H new ATOM 0 HH11 ARG A 65 12.350 -1.114 -19.420 1.00 0.00 H new ATOM 0 HH12 ARG A 65 14.101 -1.302 -19.561 1.00 0.00 H new ATOM 0 HH21 ARG A 65 14.336 -3.485 -16.841 1.00 0.00 H new ATOM 0 HH22 ARG A 65 15.215 -2.632 -18.115 1.00 0.00 H new ATOM 1021 N GLN A 66 7.547 -1.645 -14.713 1.00 0.00 N ATOM 1022 CA GLN A 66 6.733 -0.398 -14.659 1.00 0.00 C ATOM 1023 C GLN A 66 7.104 0.398 -13.407 1.00 0.00 C ATOM 1024 O GLN A 66 8.020 0.052 -12.688 1.00 0.00 O ATOM 1025 CB GLN A 66 5.246 -0.757 -14.619 1.00 0.00 C ATOM 1026 CG GLN A 66 4.462 0.204 -15.516 1.00 0.00 C ATOM 1027 CD GLN A 66 3.054 -0.346 -15.748 1.00 0.00 C ATOM 1028 OE1 GLN A 66 2.885 -1.372 -16.375 1.00 0.00 O ATOM 1029 NE2 GLN A 66 2.026 0.297 -15.264 1.00 0.00 N ATOM 0 H GLN A 66 7.130 -2.457 -14.257 1.00 0.00 H new ATOM 0 HA GLN A 66 6.933 0.205 -15.544 1.00 0.00 H new ATOM 0 HB2 GLN A 66 5.100 -1.784 -14.954 1.00 0.00 H new ATOM 0 HB3 GLN A 66 4.875 -0.700 -13.596 1.00 0.00 H new ATOM 0 HG2 GLN A 66 4.407 1.188 -15.051 1.00 0.00 H new ATOM 0 HG3 GLN A 66 4.976 0.330 -16.469 1.00 0.00 H new ATOM 0 HE21 GLN A 66 2.166 1.159 -14.737 1.00 0.00 H new ATOM 0 HE22 GLN A 66 1.083 -0.063 -15.413 1.00 0.00 H new ATOM 1038 N GLY A 67 6.402 1.466 -13.138 1.00 0.00 N ATOM 1039 CA GLY A 67 6.722 2.282 -11.933 1.00 0.00 C ATOM 1040 C GLY A 67 5.612 2.124 -10.892 1.00 0.00 C ATOM 1041 O GLY A 67 5.149 3.086 -10.313 1.00 0.00 O ATOM 0 H GLY A 67 5.622 1.808 -13.700 1.00 0.00 H new ATOM 0 HA2 GLY A 67 7.676 1.966 -11.511 1.00 0.00 H new ATOM 0 HA3 GLY A 67 6.827 3.331 -12.210 1.00 0.00 H new ATOM 1045 N ARG A 68 5.180 0.917 -10.648 1.00 0.00 N ATOM 1046 CA ARG A 68 4.103 0.701 -9.641 1.00 0.00 C ATOM 1047 C ARG A 68 4.709 0.117 -8.365 1.00 0.00 C ATOM 1048 O ARG A 68 4.831 -1.083 -8.218 1.00 0.00 O ATOM 1049 CB ARG A 68 3.066 -0.275 -10.203 1.00 0.00 C ATOM 1050 CG ARG A 68 2.835 0.016 -11.687 1.00 0.00 C ATOM 1051 CD ARG A 68 2.281 1.433 -11.851 1.00 0.00 C ATOM 1052 NE ARG A 68 1.285 1.703 -10.775 1.00 0.00 N ATOM 1053 CZ ARG A 68 1.221 2.885 -10.222 1.00 0.00 C ATOM 1054 NH1 ARG A 68 1.488 3.951 -10.926 1.00 0.00 N ATOM 1055 NH2 ARG A 68 0.886 3.000 -8.965 1.00 0.00 N ATOM 0 H ARG A 68 5.526 0.072 -11.102 1.00 0.00 H new ATOM 0 HA ARG A 68 3.622 1.653 -9.415 1.00 0.00 H new ATOM 0 HB2 ARG A 68 3.410 -1.301 -10.073 1.00 0.00 H new ATOM 0 HB3 ARG A 68 2.129 -0.181 -9.654 1.00 0.00 H new ATOM 0 HG2 ARG A 68 3.770 -0.086 -12.238 1.00 0.00 H new ATOM 0 HG3 ARG A 68 2.137 -0.709 -12.106 1.00 0.00 H new ATOM 0 HD2 ARG A 68 3.092 2.160 -11.802 1.00 0.00 H new ATOM 0 HD3 ARG A 68 1.814 1.542 -12.830 1.00 0.00 H new ATOM 0 HE ARG A 68 0.652 0.963 -10.470 1.00 0.00 H new ATOM 0 HH11 ARG A 68 1.747 3.862 -11.909 1.00 0.00 H new ATOM 0 HH12 ARG A 68 1.438 4.873 -10.494 1.00 0.00 H new ATOM 0 HH21 ARG A 68 0.674 2.167 -8.415 1.00 0.00 H new ATOM 0 HH22 ARG A 68 0.836 3.923 -8.533 1.00 0.00 H new ATOM 1069 N ILE A 69 5.090 0.953 -7.437 1.00 0.00 N ATOM 1070 CA ILE A 69 5.686 0.437 -6.172 1.00 0.00 C ATOM 1071 C ILE A 69 4.818 -0.699 -5.629 1.00 0.00 C ATOM 1072 O ILE A 69 3.653 -0.516 -5.337 1.00 0.00 O ATOM 1073 CB ILE A 69 5.747 1.559 -5.134 1.00 0.00 C ATOM 1074 CG1 ILE A 69 6.372 2.809 -5.757 1.00 0.00 C ATOM 1075 CG2 ILE A 69 6.597 1.107 -3.945 1.00 0.00 C ATOM 1076 CD1 ILE A 69 5.433 4.002 -5.559 1.00 0.00 C ATOM 0 H ILE A 69 5.014 1.968 -7.500 1.00 0.00 H new ATOM 0 HA ILE A 69 6.693 0.071 -6.373 1.00 0.00 H new ATOM 0 HB ILE A 69 4.737 1.791 -4.797 1.00 0.00 H new ATOM 0 HG12 ILE A 69 7.339 3.013 -5.297 1.00 0.00 H new ATOM 0 HG13 ILE A 69 6.553 2.647 -6.820 1.00 0.00 H new ATOM 0 HG21 ILE A 69 6.641 1.906 -3.205 1.00 0.00 H new ATOM 0 HG22 ILE A 69 6.151 0.220 -3.495 1.00 0.00 H new ATOM 0 HG23 ILE A 69 7.605 0.873 -4.287 1.00 0.00 H new ATOM 0 HD11 ILE A 69 5.878 4.893 -6.003 1.00 0.00 H new ATOM 0 HD12 ILE A 69 4.477 3.796 -6.040 1.00 0.00 H new ATOM 0 HD13 ILE A 69 5.275 4.168 -4.493 1.00 0.00 H new ATOM 1088 N ARG A 70 5.374 -1.872 -5.490 1.00 0.00 N ATOM 1089 CA ARG A 70 4.572 -3.011 -4.962 1.00 0.00 C ATOM 1090 C ARG A 70 4.776 -3.129 -3.450 1.00 0.00 C ATOM 1091 O ARG A 70 5.764 -3.662 -2.980 1.00 0.00 O ATOM 1092 CB ARG A 70 5.008 -4.313 -5.640 1.00 0.00 C ATOM 1093 CG ARG A 70 4.822 -4.187 -7.153 1.00 0.00 C ATOM 1094 CD ARG A 70 3.544 -4.916 -7.573 1.00 0.00 C ATOM 1095 NE ARG A 70 3.270 -4.650 -9.014 1.00 0.00 N ATOM 1096 CZ ARG A 70 2.181 -4.022 -9.368 1.00 0.00 C ATOM 1097 NH1 ARG A 70 2.042 -2.753 -9.100 1.00 0.00 N ATOM 1098 NH2 ARG A 70 1.232 -4.664 -9.994 1.00 0.00 N ATOM 0 H ARG A 70 6.344 -2.090 -5.718 1.00 0.00 H new ATOM 0 HA ARG A 70 3.518 -2.832 -5.172 1.00 0.00 H new ATOM 0 HB2 ARG A 70 6.052 -4.525 -5.408 1.00 0.00 H new ATOM 0 HB3 ARG A 70 4.421 -5.148 -5.259 1.00 0.00 H new ATOM 0 HG2 ARG A 70 4.764 -3.136 -7.437 1.00 0.00 H new ATOM 0 HG3 ARG A 70 5.682 -4.610 -7.672 1.00 0.00 H new ATOM 0 HD2 ARG A 70 3.652 -5.987 -7.404 1.00 0.00 H new ATOM 0 HD3 ARG A 70 2.704 -4.580 -6.964 1.00 0.00 H new ATOM 0 HE ARG A 70 3.934 -4.959 -9.724 1.00 0.00 H new ATOM 0 HH11 ARG A 70 2.784 -2.250 -8.614 1.00 0.00 H new ATOM 0 HH12 ARG A 70 1.191 -2.263 -9.377 1.00 0.00 H new ATOM 0 HH21 ARG A 70 1.341 -5.656 -10.206 1.00 0.00 H new ATOM 0 HH22 ARG A 70 0.381 -4.174 -10.271 1.00 0.00 H new ATOM 1112 N LEU A 71 3.841 -2.640 -2.683 1.00 0.00 N ATOM 1113 CA LEU A 71 3.970 -2.728 -1.205 1.00 0.00 C ATOM 1114 C LEU A 71 3.316 -4.025 -0.732 1.00 0.00 C ATOM 1115 O LEU A 71 2.347 -4.485 -1.302 1.00 0.00 O ATOM 1116 CB LEU A 71 3.277 -1.529 -0.556 1.00 0.00 C ATOM 1117 CG LEU A 71 4.279 -0.382 -0.414 1.00 0.00 C ATOM 1118 CD1 LEU A 71 3.598 0.813 0.255 1.00 0.00 C ATOM 1119 CD2 LEU A 71 5.460 -0.842 0.444 1.00 0.00 C ATOM 0 H LEU A 71 2.993 -2.183 -3.018 1.00 0.00 H new ATOM 0 HA LEU A 71 5.023 -2.722 -0.922 1.00 0.00 H new ATOM 0 HB2 LEU A 71 2.428 -1.213 -1.162 1.00 0.00 H new ATOM 0 HB3 LEU A 71 2.884 -1.807 0.422 1.00 0.00 H new ATOM 0 HG LEU A 71 4.637 -0.089 -1.401 1.00 0.00 H new ATOM 0 HD11 LEU A 71 4.313 1.630 0.356 1.00 0.00 H new ATOM 0 HD12 LEU A 71 2.756 1.141 -0.355 1.00 0.00 H new ATOM 0 HD13 LEU A 71 3.239 0.521 1.242 1.00 0.00 H new ATOM 0 HD21 LEU A 71 6.175 -0.026 0.546 1.00 0.00 H new ATOM 0 HD22 LEU A 71 5.101 -1.135 1.430 1.00 0.00 H new ATOM 0 HD23 LEU A 71 5.946 -1.693 -0.033 1.00 0.00 H new ATOM 1131 N SER A 72 3.842 -4.626 0.295 1.00 0.00 N ATOM 1132 CA SER A 72 3.255 -5.900 0.789 1.00 0.00 C ATOM 1133 C SER A 72 2.515 -5.661 2.108 1.00 0.00 C ATOM 1134 O SER A 72 3.081 -5.767 3.179 1.00 0.00 O ATOM 1135 CB SER A 72 4.372 -6.913 0.999 1.00 0.00 C ATOM 1136 OG SER A 72 4.139 -8.046 0.173 1.00 0.00 O ATOM 0 H SER A 72 4.653 -4.291 0.814 1.00 0.00 H new ATOM 0 HA SER A 72 2.545 -6.282 0.055 1.00 0.00 H new ATOM 0 HB2 SER A 72 5.336 -6.464 0.758 1.00 0.00 H new ATOM 0 HB3 SER A 72 4.414 -7.214 2.046 1.00 0.00 H new ATOM 0 HG SER A 72 4.645 -8.811 0.517 1.00 0.00 H new ATOM 1142 N ILE A 73 1.250 -5.346 2.037 1.00 0.00 N ATOM 1143 CA ILE A 73 0.463 -5.104 3.280 1.00 0.00 C ATOM 1144 C ILE A 73 0.683 -6.277 4.247 1.00 0.00 C ATOM 1145 O ILE A 73 0.617 -7.429 3.863 1.00 0.00 O ATOM 1146 CB ILE A 73 -1.029 -4.951 2.901 1.00 0.00 C ATOM 1147 CG1 ILE A 73 -1.491 -3.535 3.254 1.00 0.00 C ATOM 1148 CG2 ILE A 73 -1.914 -5.964 3.645 1.00 0.00 C ATOM 1149 CD1 ILE A 73 -3.000 -3.423 3.040 1.00 0.00 C ATOM 0 H ILE A 73 0.726 -5.245 1.168 1.00 0.00 H new ATOM 0 HA ILE A 73 0.787 -4.190 3.777 1.00 0.00 H new ATOM 0 HB ILE A 73 -1.126 -5.137 1.831 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -1.242 -3.308 4.291 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -0.970 -2.806 2.634 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -2.954 -5.823 3.351 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -1.599 -6.977 3.392 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -1.817 -5.811 4.720 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -3.329 -2.415 3.291 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -3.236 -3.632 1.997 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -3.512 -4.142 3.679 1.00 0.00 H new ATOM 1161 N LYS A 74 0.947 -5.993 5.494 1.00 0.00 N ATOM 1162 CA LYS A 74 1.171 -7.094 6.476 1.00 0.00 C ATOM 1163 C LYS A 74 -0.168 -7.753 6.812 1.00 0.00 C ATOM 1164 O LYS A 74 -1.221 -7.240 6.492 1.00 0.00 O ATOM 1165 CB LYS A 74 1.796 -6.524 7.753 1.00 0.00 C ATOM 1166 CG LYS A 74 2.946 -7.428 8.205 1.00 0.00 C ATOM 1167 CD LYS A 74 3.214 -7.208 9.695 1.00 0.00 C ATOM 1168 CE LYS A 74 4.148 -8.303 10.213 1.00 0.00 C ATOM 1169 NZ LYS A 74 5.538 -8.032 9.752 1.00 0.00 N ATOM 0 H LYS A 74 1.017 -5.049 5.875 1.00 0.00 H new ATOM 0 HA LYS A 74 1.844 -7.835 6.045 1.00 0.00 H new ATOM 0 HB2 LYS A 74 2.163 -5.514 7.572 1.00 0.00 H new ATOM 0 HB3 LYS A 74 1.044 -6.454 8.539 1.00 0.00 H new ATOM 0 HG2 LYS A 74 2.695 -8.473 8.020 1.00 0.00 H new ATOM 0 HG3 LYS A 74 3.844 -7.209 7.627 1.00 0.00 H new ATOM 0 HD2 LYS A 74 3.663 -6.227 9.854 1.00 0.00 H new ATOM 0 HD3 LYS A 74 2.276 -7.223 10.250 1.00 0.00 H new ATOM 0 HE2 LYS A 74 4.115 -8.338 11.302 1.00 0.00 H new ATOM 0 HE3 LYS A 74 3.818 -9.277 9.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 6.172 -8.777 10.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 5.563 -8.020 8.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 5.851 -7.110 10.117 1.00 0.00 H new ATOM 1183 N GLU A 75 -0.137 -8.887 7.457 1.00 0.00 N ATOM 1184 CA GLU A 75 -1.409 -9.575 7.811 1.00 0.00 C ATOM 1185 C GLU A 75 -2.398 -8.554 8.378 1.00 0.00 C ATOM 1186 O GLU A 75 -3.578 -8.592 8.093 1.00 0.00 O ATOM 1187 CB GLU A 75 -1.132 -10.657 8.856 1.00 0.00 C ATOM 1188 CG GLU A 75 -1.102 -12.027 8.175 1.00 0.00 C ATOM 1189 CD GLU A 75 -0.149 -12.955 8.932 1.00 0.00 C ATOM 1190 OE1 GLU A 75 0.010 -12.761 10.126 1.00 0.00 O ATOM 1191 OE2 GLU A 75 0.405 -13.843 8.305 1.00 0.00 O ATOM 0 H GLU A 75 0.713 -9.366 7.754 1.00 0.00 H new ATOM 0 HA GLU A 75 -1.834 -10.036 6.919 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -0.180 -10.464 9.351 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -1.902 -10.639 9.627 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -2.104 -12.456 8.154 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -0.778 -11.923 7.139 1.00 0.00 H new ATOM 1198 N ALA A 76 -1.924 -7.640 9.180 1.00 0.00 N ATOM 1199 CA ALA A 76 -2.836 -6.617 9.765 1.00 0.00 C ATOM 1200 C ALA A 76 -4.037 -7.312 10.410 1.00 0.00 C ATOM 1201 O ALA A 76 -3.912 -7.728 11.550 1.00 0.00 O ATOM 1202 CB ALA A 76 -3.322 -5.677 8.659 1.00 0.00 C ATOM 1203 OXT ALA A 76 -5.059 -7.415 9.753 1.00 0.00 O ATOM 0 H ALA A 76 -0.945 -7.558 9.455 1.00 0.00 H new ATOM 0 HA ALA A 76 -2.301 -6.043 10.521 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -3.989 -4.928 9.085 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -2.466 -5.182 8.200 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -3.857 -6.251 7.903 1.00 0.00 H new TER 1209 ALA A 76