USER MOD reduce.3.24.130724 H: found=0, std=0, add=620, rem=0, adj=9 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+ -124:sc= 0.0815 (180deg=0) USER MOD Single : A 9 TYR OH : rot 180:sc= -0.121 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 180:sc= -1.68 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 HIS : no HD1:sc= -0.436 K(o=-0.44,f=-1.8) USER MOD Single : A 36 SER OG : rot 180:sc= -0.275 USER MOD Single : A 37 GLN : amide:sc= -4.24! C(o=-4.2!,f=-4.6!) 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 180:sc= 0.0537 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -0.141 X(o=-0.14,f=-0.59) USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= -1.2! C(o=-1.2!,f=-2.6!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0.0018) USER MOD Single : A 72 SER OG : rot -140:sc= -0.727 USER MOD Single : A 74 LYS NZ :NH3+ -114:sc= -0.24 (180deg=-1.33) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 20.087 8.467 9.040 1.00 0.00 N ATOM 2 CA ALA A 1 19.783 7.015 9.186 1.00 0.00 C ATOM 3 C ALA A 1 19.919 6.326 7.827 1.00 0.00 C ATOM 4 O ALA A 1 20.535 6.843 6.916 1.00 0.00 O ATOM 5 CB ALA A 1 18.353 6.845 9.704 1.00 0.00 C ATOM 0 H1 ALA A 1 20.851 8.729 9.695 1.00 0.00 H new ATOM 0 H2 ALA A 1 20.386 8.663 8.063 1.00 0.00 H new ATOM 0 H3 ALA A 1 19.236 9.024 9.259 1.00 0.00 H new ATOM 0 HA ALA A 1 20.482 6.566 9.892 1.00 0.00 H new ATOM 0 HB1 ALA A 1 18.129 5.784 9.811 1.00 0.00 H new ATOM 0 HB2 ALA A 1 18.256 7.336 10.672 1.00 0.00 H new ATOM 0 HB3 ALA A 1 17.654 7.294 8.998 1.00 0.00 H new ATOM 13 N GLU A 2 19.352 5.160 7.683 1.00 0.00 N ATOM 14 CA GLU A 2 19.450 4.438 6.383 1.00 0.00 C ATOM 15 C GLU A 2 18.125 3.745 6.080 1.00 0.00 C ATOM 16 O GLU A 2 17.223 3.723 6.894 1.00 0.00 O ATOM 17 CB GLU A 2 20.568 3.395 6.462 1.00 0.00 C ATOM 18 CG GLU A 2 21.691 3.774 5.495 1.00 0.00 C ATOM 19 CD GLU A 2 23.033 3.302 6.058 1.00 0.00 C ATOM 20 OE1 GLU A 2 23.107 3.090 7.257 1.00 0.00 O ATOM 21 OE2 GLU A 2 23.961 3.159 5.280 1.00 0.00 O ATOM 0 H GLU A 2 18.825 4.676 8.410 1.00 0.00 H new ATOM 0 HA GLU A 2 19.673 5.151 5.589 1.00 0.00 H new ATOM 0 HB2 GLU A 2 20.954 3.337 7.480 1.00 0.00 H new ATOM 0 HB3 GLU A 2 20.177 2.408 6.213 1.00 0.00 H new ATOM 0 HG2 GLU A 2 21.514 3.320 4.520 1.00 0.00 H new ATOM 0 HG3 GLU A 2 21.707 4.854 5.345 1.00 0.00 H new ATOM 28 N ILE A 3 17.997 3.189 4.908 1.00 0.00 N ATOM 29 CA ILE A 3 16.728 2.507 4.542 1.00 0.00 C ATOM 30 C ILE A 3 16.752 2.157 3.046 1.00 0.00 C ATOM 31 O ILE A 3 17.025 2.993 2.208 1.00 0.00 O ATOM 32 CB ILE A 3 15.550 3.443 4.892 1.00 0.00 C ATOM 33 CG1 ILE A 3 14.620 2.734 5.882 1.00 0.00 C ATOM 34 CG2 ILE A 3 14.761 3.848 3.642 1.00 0.00 C ATOM 35 CD1 ILE A 3 13.771 1.699 5.141 1.00 0.00 C ATOM 0 H ILE A 3 18.719 3.178 4.187 1.00 0.00 H new ATOM 0 HA ILE A 3 16.609 1.577 5.098 1.00 0.00 H new ATOM 0 HB ILE A 3 15.955 4.351 5.339 1.00 0.00 H new ATOM 0 HG12 ILE A 3 15.206 2.247 6.662 1.00 0.00 H new ATOM 0 HG13 ILE A 3 13.975 3.462 6.375 1.00 0.00 H new ATOM 0 HG21 ILE A 3 13.940 4.506 3.927 1.00 0.00 H new ATOM 0 HG22 ILE A 3 15.421 4.370 2.949 1.00 0.00 H new ATOM 0 HG23 ILE A 3 14.360 2.956 3.160 1.00 0.00 H new ATOM 0 HD11 ILE A 3 13.111 1.197 5.848 1.00 0.00 H new ATOM 0 HD12 ILE A 3 13.173 2.198 4.378 1.00 0.00 H new ATOM 0 HD13 ILE A 3 14.423 0.964 4.669 1.00 0.00 H new ATOM 47 N GLU A 4 16.466 0.929 2.712 1.00 0.00 N ATOM 48 CA GLU A 4 16.469 0.523 1.278 1.00 0.00 C ATOM 49 C GLU A 4 15.325 -0.462 1.029 1.00 0.00 C ATOM 50 O GLU A 4 14.383 -0.537 1.793 1.00 0.00 O ATOM 51 CB GLU A 4 17.803 -0.150 0.941 1.00 0.00 C ATOM 52 CG GLU A 4 18.292 0.337 -0.425 1.00 0.00 C ATOM 53 CD GLU A 4 19.060 -0.786 -1.125 1.00 0.00 C ATOM 54 OE1 GLU A 4 18.835 -1.935 -0.782 1.00 0.00 O ATOM 55 OE2 GLU A 4 19.862 -0.477 -1.991 1.00 0.00 O ATOM 0 H GLU A 4 16.230 0.188 3.371 1.00 0.00 H new ATOM 0 HA GLU A 4 16.337 1.403 0.649 1.00 0.00 H new ATOM 0 HB2 GLU A 4 18.543 0.082 1.707 1.00 0.00 H new ATOM 0 HB3 GLU A 4 17.683 -1.233 0.931 1.00 0.00 H new ATOM 0 HG2 GLU A 4 17.445 0.648 -1.036 1.00 0.00 H new ATOM 0 HG3 GLU A 4 18.934 1.209 -0.303 1.00 0.00 H new ATOM 62 N VAL A 5 15.398 -1.221 -0.030 1.00 0.00 N ATOM 63 CA VAL A 5 14.313 -2.201 -0.319 1.00 0.00 C ATOM 64 C VAL A 5 14.397 -3.353 0.688 1.00 0.00 C ATOM 65 O VAL A 5 15.366 -3.493 1.407 1.00 0.00 O ATOM 66 CB VAL A 5 14.472 -2.727 -1.752 1.00 0.00 C ATOM 67 CG1 VAL A 5 13.807 -4.100 -1.898 1.00 0.00 C ATOM 68 CG2 VAL A 5 13.807 -1.746 -2.717 1.00 0.00 C ATOM 0 H VAL A 5 16.161 -1.205 -0.707 1.00 0.00 H new ATOM 0 HA VAL A 5 13.339 -1.721 -0.228 1.00 0.00 H new ATOM 0 HB VAL A 5 15.534 -2.824 -1.978 1.00 0.00 H new ATOM 0 HG11 VAL A 5 13.930 -4.457 -2.921 1.00 0.00 H new ATOM 0 HG12 VAL A 5 14.273 -4.805 -1.209 1.00 0.00 H new ATOM 0 HG13 VAL A 5 12.745 -4.016 -1.668 1.00 0.00 H new ATOM 0 HG21 VAL A 5 13.915 -2.111 -3.738 1.00 0.00 H new ATOM 0 HG22 VAL A 5 12.748 -1.657 -2.473 1.00 0.00 H new ATOM 0 HG23 VAL A 5 14.283 -0.769 -2.629 1.00 0.00 H new ATOM 78 N GLY A 6 13.385 -4.175 0.747 1.00 0.00 N ATOM 79 CA GLY A 6 13.406 -5.309 1.711 1.00 0.00 C ATOM 80 C GLY A 6 13.090 -4.785 3.112 1.00 0.00 C ATOM 81 O GLY A 6 13.086 -5.526 4.076 1.00 0.00 O ATOM 0 H GLY A 6 12.546 -4.110 0.170 1.00 0.00 H new ATOM 0 HA2 GLY A 6 12.676 -6.064 1.419 1.00 0.00 H new ATOM 0 HA3 GLY A 6 14.384 -5.791 1.702 1.00 0.00 H new ATOM 85 N ARG A 7 12.823 -3.513 3.234 1.00 0.00 N ATOM 86 CA ARG A 7 12.506 -2.948 4.574 1.00 0.00 C ATOM 87 C ARG A 7 10.995 -2.750 4.694 1.00 0.00 C ATOM 88 O ARG A 7 10.267 -2.863 3.729 1.00 0.00 O ATOM 89 CB ARG A 7 13.211 -1.601 4.744 1.00 0.00 C ATOM 90 CG ARG A 7 13.563 -1.397 6.217 1.00 0.00 C ATOM 91 CD ARG A 7 14.952 -0.766 6.328 1.00 0.00 C ATOM 92 NE ARG A 7 15.934 -1.799 6.764 1.00 0.00 N ATOM 93 CZ ARG A 7 17.183 -1.708 6.396 1.00 0.00 C ATOM 94 NH1 ARG A 7 17.871 -0.634 6.677 1.00 0.00 N ATOM 95 NH2 ARG A 7 17.743 -2.690 5.744 1.00 0.00 N ATOM 0 H ARG A 7 12.811 -2.843 2.465 1.00 0.00 H new ATOM 0 HA ARG A 7 12.849 -3.635 5.348 1.00 0.00 H new ATOM 0 HB2 ARG A 7 14.114 -1.571 4.135 1.00 0.00 H new ATOM 0 HB3 ARG A 7 12.566 -0.794 4.397 1.00 0.00 H new ATOM 0 HG2 ARG A 7 12.822 -0.756 6.693 1.00 0.00 H new ATOM 0 HG3 ARG A 7 13.543 -2.352 6.742 1.00 0.00 H new ATOM 0 HD2 ARG A 7 15.251 -0.348 5.367 1.00 0.00 H new ATOM 0 HD3 ARG A 7 14.933 0.057 7.042 1.00 0.00 H new ATOM 0 HE ARG A 7 15.630 -2.577 7.350 1.00 0.00 H new ATOM 0 HH11 ARG A 7 17.432 0.134 7.184 1.00 0.00 H new ATOM 0 HH12 ARG A 7 18.847 -0.564 6.389 1.00 0.00 H new ATOM 0 HH21 ARG A 7 17.205 -3.528 5.522 1.00 0.00 H new ATOM 0 HH22 ARG A 7 18.719 -2.620 5.456 1.00 0.00 H new ATOM 109 N VAL A 8 10.516 -2.454 5.871 1.00 0.00 N ATOM 110 CA VAL A 8 9.052 -2.249 6.047 1.00 0.00 C ATOM 111 C VAL A 8 8.752 -0.750 6.100 1.00 0.00 C ATOM 112 O VAL A 8 9.423 0.002 6.778 1.00 0.00 O ATOM 113 CB VAL A 8 8.600 -2.906 7.353 1.00 0.00 C ATOM 114 CG1 VAL A 8 7.177 -2.457 7.686 1.00 0.00 C ATOM 115 CG2 VAL A 8 8.631 -4.428 7.195 1.00 0.00 C ATOM 0 H VAL A 8 11.075 -2.345 6.717 1.00 0.00 H new ATOM 0 HA VAL A 8 8.517 -2.698 5.210 1.00 0.00 H new ATOM 0 HB VAL A 8 9.271 -2.610 8.159 1.00 0.00 H new ATOM 0 HG11 VAL A 8 6.856 -2.926 8.616 1.00 0.00 H new ATOM 0 HG12 VAL A 8 7.155 -1.373 7.799 1.00 0.00 H new ATOM 0 HG13 VAL A 8 6.505 -2.752 6.880 1.00 0.00 H new ATOM 0 HG21 VAL A 8 8.309 -4.897 8.125 1.00 0.00 H new ATOM 0 HG22 VAL A 8 7.960 -4.724 6.388 1.00 0.00 H new ATOM 0 HG23 VAL A 8 9.646 -4.749 6.959 1.00 0.00 H new ATOM 125 N TYR A 9 7.747 -0.308 5.395 1.00 0.00 N ATOM 126 CA TYR A 9 7.410 1.142 5.416 1.00 0.00 C ATOM 127 C TYR A 9 6.090 1.345 6.156 1.00 0.00 C ATOM 128 O TYR A 9 5.465 0.407 6.609 1.00 0.00 O ATOM 129 CB TYR A 9 7.253 1.665 3.984 1.00 0.00 C ATOM 130 CG TYR A 9 8.587 2.128 3.450 1.00 0.00 C ATOM 131 CD1 TYR A 9 9.750 1.390 3.707 1.00 0.00 C ATOM 132 CD2 TYR A 9 8.659 3.302 2.689 1.00 0.00 C ATOM 133 CE1 TYR A 9 10.983 1.828 3.203 1.00 0.00 C ATOM 134 CE2 TYR A 9 9.888 3.738 2.186 1.00 0.00 C ATOM 135 CZ TYR A 9 11.051 3.002 2.442 1.00 0.00 C ATOM 136 OH TYR A 9 12.265 3.434 1.945 1.00 0.00 O ATOM 0 H TYR A 9 7.147 -0.887 4.807 1.00 0.00 H new ATOM 0 HA TYR A 9 8.212 1.683 5.918 1.00 0.00 H new ATOM 0 HB2 TYR A 9 6.849 0.880 3.344 1.00 0.00 H new ATOM 0 HB3 TYR A 9 6.540 2.489 3.966 1.00 0.00 H new ATOM 0 HD1 TYR A 9 9.697 0.484 4.293 1.00 0.00 H new ATOM 0 HD2 TYR A 9 7.763 3.871 2.491 1.00 0.00 H new ATOM 0 HE1 TYR A 9 11.880 1.260 3.402 1.00 0.00 H new ATOM 0 HE2 TYR A 9 9.940 4.643 1.599 1.00 0.00 H new ATOM 0 HH TYR A 9 12.135 4.263 1.439 1.00 0.00 H new ATOM 146 N THR A 10 5.657 2.566 6.262 1.00 0.00 N ATOM 147 CA THR A 10 4.369 2.853 6.946 1.00 0.00 C ATOM 148 C THR A 10 3.614 3.877 6.109 1.00 0.00 C ATOM 149 O THR A 10 3.986 5.033 6.047 1.00 0.00 O ATOM 150 CB THR A 10 4.637 3.426 8.338 1.00 0.00 C ATOM 151 OG1 THR A 10 5.712 2.721 8.942 1.00 0.00 O ATOM 152 CG2 THR A 10 3.380 3.281 9.196 1.00 0.00 C ATOM 0 H THR A 10 6.145 3.386 5.901 1.00 0.00 H new ATOM 0 HA THR A 10 3.785 1.939 7.052 1.00 0.00 H new ATOM 0 HB THR A 10 4.900 4.481 8.255 1.00 0.00 H new ATOM 0 HG1 THR A 10 5.885 3.089 9.834 1.00 0.00 H new ATOM 0 HG21 THR A 10 3.568 3.689 10.189 1.00 0.00 H new ATOM 0 HG22 THR A 10 2.557 3.824 8.731 1.00 0.00 H new ATOM 0 HG23 THR A 10 3.117 2.227 9.281 1.00 0.00 H new ATOM 160 N GLY A 11 2.572 3.472 5.442 1.00 0.00 N ATOM 161 CA GLY A 11 1.834 4.445 4.595 1.00 0.00 C ATOM 162 C GLY A 11 0.473 4.753 5.206 1.00 0.00 C ATOM 163 O GLY A 11 -0.199 3.885 5.724 1.00 0.00 O ATOM 0 H GLY A 11 2.203 2.521 5.446 1.00 0.00 H new ATOM 0 HA2 GLY A 11 2.412 5.364 4.497 1.00 0.00 H new ATOM 0 HA3 GLY A 11 1.706 4.040 3.591 1.00 0.00 H new ATOM 167 N LYS A 12 0.052 5.984 5.129 1.00 0.00 N ATOM 168 CA LYS A 12 -1.274 6.353 5.681 1.00 0.00 C ATOM 169 C LYS A 12 -2.310 6.159 4.580 1.00 0.00 C ATOM 170 O LYS A 12 -1.975 6.066 3.414 1.00 0.00 O ATOM 171 CB LYS A 12 -1.271 7.824 6.116 1.00 0.00 C ATOM 172 CG LYS A 12 0.083 8.185 6.736 1.00 0.00 C ATOM 173 CD LYS A 12 0.160 9.699 6.942 1.00 0.00 C ATOM 174 CE LYS A 12 -0.746 10.104 8.107 1.00 0.00 C ATOM 175 NZ LYS A 12 -0.401 11.486 8.551 1.00 0.00 N ATOM 0 H LYS A 12 0.574 6.751 4.705 1.00 0.00 H new ATOM 0 HA LYS A 12 -1.505 5.731 6.546 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -1.470 8.466 5.258 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -2.069 8.000 6.837 1.00 0.00 H new ATOM 0 HG2 LYS A 12 0.208 7.670 7.689 1.00 0.00 H new ATOM 0 HG3 LYS A 12 0.893 7.854 6.086 1.00 0.00 H new ATOM 0 HD2 LYS A 12 1.188 9.997 7.147 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -0.146 10.216 6.033 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -1.791 10.060 7.801 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -0.626 9.405 8.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -1.017 11.760 9.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 0.592 11.514 8.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -0.537 12.149 7.761 1.00 0.00 H new ATOM 189 N VAL A 13 -3.563 6.111 4.924 1.00 0.00 N ATOM 190 CA VAL A 13 -4.593 5.932 3.872 1.00 0.00 C ATOM 191 C VAL A 13 -4.970 7.311 3.342 1.00 0.00 C ATOM 192 O VAL A 13 -5.695 8.056 3.972 1.00 0.00 O ATOM 193 CB VAL A 13 -5.831 5.256 4.461 1.00 0.00 C ATOM 194 CG1 VAL A 13 -6.912 5.152 3.384 1.00 0.00 C ATOM 195 CG2 VAL A 13 -5.462 3.855 4.954 1.00 0.00 C ATOM 0 H VAL A 13 -3.915 6.187 5.878 1.00 0.00 H new ATOM 0 HA VAL A 13 -4.203 5.306 3.069 1.00 0.00 H new ATOM 0 HB VAL A 13 -6.206 5.846 5.297 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -7.796 4.670 3.801 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -7.174 6.150 3.034 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -6.537 4.561 2.548 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -6.345 3.373 5.374 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -5.087 3.262 4.119 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -4.691 3.930 5.720 1.00 0.00 H new ATOM 205 N THR A 14 -4.459 7.666 2.200 1.00 0.00 N ATOM 206 CA THR A 14 -4.758 9.007 1.638 1.00 0.00 C ATOM 207 C THR A 14 -5.736 8.883 0.468 1.00 0.00 C ATOM 208 O THR A 14 -6.275 9.865 -0.003 1.00 0.00 O ATOM 209 CB THR A 14 -3.455 9.653 1.156 1.00 0.00 C ATOM 210 OG1 THR A 14 -3.217 9.285 -0.195 1.00 0.00 O ATOM 211 CG2 THR A 14 -2.291 9.178 2.029 1.00 0.00 C ATOM 0 H THR A 14 -3.846 7.083 1.630 1.00 0.00 H new ATOM 0 HA THR A 14 -5.213 9.627 2.410 1.00 0.00 H new ATOM 0 HB THR A 14 -3.540 10.737 1.228 1.00 0.00 H new ATOM 0 HG1 THR A 14 -2.385 9.699 -0.505 1.00 0.00 H new ATOM 0 HG21 THR A 14 -1.366 9.639 1.684 1.00 0.00 H new ATOM 0 HG22 THR A 14 -2.474 9.462 3.065 1.00 0.00 H new ATOM 0 HG23 THR A 14 -2.204 8.094 1.960 1.00 0.00 H new ATOM 219 N ARG A 15 -5.973 7.691 -0.012 1.00 0.00 N ATOM 220 CA ARG A 15 -6.917 7.536 -1.155 1.00 0.00 C ATOM 221 C ARG A 15 -7.405 6.086 -1.254 1.00 0.00 C ATOM 222 O ARG A 15 -6.754 5.165 -0.803 1.00 0.00 O ATOM 223 CB ARG A 15 -6.200 7.918 -2.455 1.00 0.00 C ATOM 224 CG ARG A 15 -6.252 9.436 -2.645 1.00 0.00 C ATOM 225 CD ARG A 15 -4.880 10.037 -2.335 1.00 0.00 C ATOM 226 NE ARG A 15 -4.468 10.934 -3.451 1.00 0.00 N ATOM 227 CZ ARG A 15 -3.797 10.452 -4.460 1.00 0.00 C ATOM 228 NH1 ARG A 15 -2.501 10.321 -4.378 1.00 0.00 N ATOM 229 NH2 ARG A 15 -4.420 10.103 -5.552 1.00 0.00 N ATOM 0 H ARG A 15 -5.558 6.826 0.334 1.00 0.00 H new ATOM 0 HA ARG A 15 -7.777 8.187 -0.995 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -5.164 7.581 -2.423 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -6.671 7.419 -3.302 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -6.543 9.675 -3.668 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -7.007 9.869 -1.989 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -4.919 10.596 -1.400 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -4.145 9.243 -2.202 1.00 0.00 H new ATOM 0 HE ARG A 15 -4.711 11.924 -3.426 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -2.014 10.596 -3.525 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -1.976 9.944 -5.167 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -5.433 10.207 -5.617 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -3.894 9.726 -6.341 1.00 0.00 H new ATOM 243 N ILE A 16 -8.548 5.886 -1.858 1.00 0.00 N ATOM 244 CA ILE A 16 -9.100 4.508 -2.022 1.00 0.00 C ATOM 245 C ILE A 16 -9.883 4.465 -3.337 1.00 0.00 C ATOM 246 O ILE A 16 -10.523 5.426 -3.712 1.00 0.00 O ATOM 247 CB ILE A 16 -10.028 4.165 -0.853 1.00 0.00 C ATOM 248 CG1 ILE A 16 -9.240 4.227 0.458 1.00 0.00 C ATOM 249 CG2 ILE A 16 -10.587 2.751 -1.041 1.00 0.00 C ATOM 250 CD1 ILE A 16 -10.109 3.707 1.603 1.00 0.00 C ATOM 0 H ILE A 16 -9.129 6.628 -2.249 1.00 0.00 H new ATOM 0 HA ILE A 16 -8.289 3.780 -2.037 1.00 0.00 H new ATOM 0 HB ILE A 16 -10.850 4.881 -0.821 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -8.332 3.630 0.377 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -8.930 5.252 0.660 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -11.247 2.507 -0.209 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -11.147 2.702 -1.975 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -9.765 2.036 -1.073 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -9.547 3.752 2.536 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -11.004 4.323 1.689 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -10.397 2.675 1.402 1.00 0.00 H new ATOM 262 N VAL A 17 -9.825 3.377 -4.055 1.00 0.00 N ATOM 263 CA VAL A 17 -10.555 3.316 -5.354 1.00 0.00 C ATOM 264 C VAL A 17 -11.576 2.164 -5.336 1.00 0.00 C ATOM 265 O VAL A 17 -11.445 1.212 -4.591 1.00 0.00 O ATOM 266 CB VAL A 17 -9.539 3.144 -6.513 1.00 0.00 C ATOM 267 CG1 VAL A 17 -8.126 3.428 -6.023 1.00 0.00 C ATOM 268 CG2 VAL A 17 -9.558 1.726 -7.076 1.00 0.00 C ATOM 0 H VAL A 17 -9.309 2.534 -3.802 1.00 0.00 H new ATOM 0 HA VAL A 17 -11.102 4.246 -5.508 1.00 0.00 H new ATOM 0 HB VAL A 17 -9.829 3.848 -7.293 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -7.423 3.303 -6.847 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -8.069 4.450 -5.649 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -7.872 2.734 -5.222 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -8.833 1.646 -7.886 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -9.301 1.018 -6.288 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -10.554 1.499 -7.457 1.00 0.00 H new ATOM 278 N ASP A 18 -12.577 2.228 -6.167 1.00 0.00 N ATOM 279 CA ASP A 18 -13.581 1.129 -6.203 1.00 0.00 C ATOM 280 C ASP A 18 -12.884 -0.188 -6.565 1.00 0.00 C ATOM 281 O ASP A 18 -13.197 -1.232 -6.028 1.00 0.00 O ATOM 282 CB ASP A 18 -14.652 1.447 -7.250 1.00 0.00 C ATOM 283 CG ASP A 18 -16.001 1.656 -6.556 1.00 0.00 C ATOM 284 OD1 ASP A 18 -16.403 0.778 -5.810 1.00 0.00 O ATOM 285 OD2 ASP A 18 -16.608 2.690 -6.782 1.00 0.00 O ATOM 0 H ASP A 18 -12.744 2.992 -6.822 1.00 0.00 H new ATOM 0 HA ASP A 18 -14.050 1.034 -5.224 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -14.376 2.342 -7.808 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -14.724 0.632 -7.970 1.00 0.00 H new ATOM 290 N PHE A 19 -11.945 -0.150 -7.472 1.00 0.00 N ATOM 291 CA PHE A 19 -11.234 -1.402 -7.865 1.00 0.00 C ATOM 292 C PHE A 19 -9.934 -1.545 -7.068 1.00 0.00 C ATOM 293 O PHE A 19 -8.992 -2.162 -7.523 1.00 0.00 O ATOM 294 CB PHE A 19 -10.893 -1.362 -9.360 1.00 0.00 C ATOM 295 CG PHE A 19 -10.282 -0.024 -9.705 1.00 0.00 C ATOM 296 CD1 PHE A 19 -8.964 0.262 -9.328 1.00 0.00 C ATOM 297 CD2 PHE A 19 -11.035 0.932 -10.399 1.00 0.00 C ATOM 298 CE1 PHE A 19 -8.400 1.508 -9.640 1.00 0.00 C ATOM 299 CE2 PHE A 19 -10.471 2.174 -10.714 1.00 0.00 C ATOM 300 CZ PHE A 19 -9.154 2.463 -10.333 1.00 0.00 C ATOM 0 H PHE A 19 -11.639 0.693 -7.958 1.00 0.00 H new ATOM 0 HA PHE A 19 -11.887 -2.249 -7.655 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -10.198 -2.165 -9.606 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -11.793 -1.526 -9.953 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -8.382 -0.477 -8.797 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -12.051 0.711 -10.691 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -7.385 1.731 -9.346 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -11.051 2.910 -11.251 1.00 0.00 H new ATOM 0 HZ PHE A 19 -8.720 3.422 -10.574 1.00 0.00 H new ATOM 310 N GLY A 20 -9.860 -0.987 -5.889 1.00 0.00 N ATOM 311 CA GLY A 20 -8.599 -1.119 -5.107 1.00 0.00 C ATOM 312 C GLY A 20 -8.491 -0.009 -4.058 1.00 0.00 C ATOM 313 O GLY A 20 -9.469 0.573 -3.642 1.00 0.00 O ATOM 0 H GLY A 20 -10.605 -0.454 -5.440 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -8.570 -2.092 -4.617 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -7.742 -1.075 -5.780 1.00 0.00 H new ATOM 317 N ALA A 21 -7.297 0.282 -3.625 1.00 0.00 N ATOM 318 CA ALA A 21 -7.111 1.346 -2.603 1.00 0.00 C ATOM 319 C ALA A 21 -5.757 2.009 -2.813 1.00 0.00 C ATOM 320 O ALA A 21 -4.802 1.374 -3.199 1.00 0.00 O ATOM 321 CB ALA A 21 -7.144 0.732 -1.203 1.00 0.00 C ATOM 0 H ALA A 21 -6.439 -0.173 -3.937 1.00 0.00 H new ATOM 0 HA ALA A 21 -7.911 2.080 -2.700 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -7.007 1.516 -0.458 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -8.105 0.243 -1.043 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -6.343 -0.002 -1.108 1.00 0.00 H new ATOM 327 N PHE A 22 -5.669 3.279 -2.563 1.00 0.00 N ATOM 328 CA PHE A 22 -4.376 3.991 -2.734 1.00 0.00 C ATOM 329 C PHE A 22 -3.796 4.295 -1.350 1.00 0.00 C ATOM 330 O PHE A 22 -4.507 4.321 -0.364 1.00 0.00 O ATOM 331 CB PHE A 22 -4.619 5.295 -3.494 1.00 0.00 C ATOM 332 CG PHE A 22 -4.857 5.003 -4.960 1.00 0.00 C ATOM 333 CD1 PHE A 22 -4.946 3.678 -5.420 1.00 0.00 C ATOM 334 CD2 PHE A 22 -4.982 6.062 -5.864 1.00 0.00 C ATOM 335 CE1 PHE A 22 -5.161 3.419 -6.776 1.00 0.00 C ATOM 336 CE2 PHE A 22 -5.195 5.802 -7.223 1.00 0.00 C ATOM 337 CZ PHE A 22 -5.284 4.480 -7.677 1.00 0.00 C ATOM 0 H PHE A 22 -6.443 3.862 -2.244 1.00 0.00 H new ATOM 0 HA PHE A 22 -3.675 3.374 -3.296 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -5.480 5.815 -3.074 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -3.760 5.957 -3.381 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -4.848 2.858 -4.724 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -4.914 7.081 -5.514 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -5.232 2.400 -7.127 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -5.291 6.620 -7.921 1.00 0.00 H new ATOM 0 HZ PHE A 22 -5.448 4.280 -8.726 1.00 0.00 H new ATOM 347 N VAL A 23 -2.515 4.514 -1.261 1.00 0.00 N ATOM 348 CA VAL A 23 -1.903 4.804 0.066 1.00 0.00 C ATOM 349 C VAL A 23 -0.701 5.734 -0.117 1.00 0.00 C ATOM 350 O VAL A 23 -0.210 5.917 -1.212 1.00 0.00 O ATOM 351 CB VAL A 23 -1.456 3.487 0.707 1.00 0.00 C ATOM 352 CG1 VAL A 23 -0.509 3.773 1.872 1.00 0.00 C ATOM 353 CG2 VAL A 23 -2.686 2.741 1.228 1.00 0.00 C ATOM 0 H VAL A 23 -1.866 4.505 -2.047 1.00 0.00 H new ATOM 0 HA VAL A 23 -2.631 5.293 0.713 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.939 2.880 -0.036 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -0.194 2.833 2.324 1.00 0.00 H new ATOM 0 HG12 VAL A 23 0.366 4.311 1.506 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -1.022 4.380 2.618 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -2.375 1.802 1.686 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -3.197 3.355 1.970 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -3.364 2.534 0.400 1.00 0.00 H new ATOM 363 N ALA A 24 -0.226 6.333 0.943 1.00 0.00 N ATOM 364 CA ALA A 24 0.938 7.257 0.805 1.00 0.00 C ATOM 365 C ALA A 24 1.975 6.961 1.896 1.00 0.00 C ATOM 366 O ALA A 24 1.639 6.484 2.956 1.00 0.00 O ATOM 367 CB ALA A 24 0.451 8.701 0.946 1.00 0.00 C ATOM 0 H ALA A 24 -0.589 6.224 1.890 1.00 0.00 H new ATOM 0 HA ALA A 24 1.399 7.114 -0.172 1.00 0.00 H new ATOM 0 HB1 ALA A 24 1.297 9.382 0.846 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -0.281 8.916 0.168 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -0.010 8.836 1.925 1.00 0.00 H new ATOM 373 N ILE A 25 3.236 7.244 1.658 1.00 0.00 N ATOM 374 CA ILE A 25 4.258 6.976 2.714 1.00 0.00 C ATOM 375 C ILE A 25 4.918 8.296 3.132 1.00 0.00 C ATOM 376 O ILE A 25 4.370 9.048 3.914 1.00 0.00 O ATOM 377 CB ILE A 25 5.320 6.004 2.189 1.00 0.00 C ATOM 378 CG1 ILE A 25 5.552 6.246 0.697 1.00 0.00 C ATOM 379 CG2 ILE A 25 4.843 4.568 2.398 1.00 0.00 C ATOM 380 CD1 ILE A 25 6.843 5.549 0.266 1.00 0.00 C ATOM 0 H ILE A 25 3.595 7.643 0.791 1.00 0.00 H new ATOM 0 HA ILE A 25 3.770 6.525 3.578 1.00 0.00 H new ATOM 0 HB ILE A 25 6.252 6.165 2.731 1.00 0.00 H new ATOM 0 HG12 ILE A 25 4.709 5.865 0.120 1.00 0.00 H new ATOM 0 HG13 ILE A 25 5.618 7.315 0.496 1.00 0.00 H new ATOM 0 HG21 ILE A 25 5.598 3.876 2.025 1.00 0.00 H new ATOM 0 HG22 ILE A 25 4.681 4.390 3.461 1.00 0.00 H new ATOM 0 HG23 ILE A 25 3.909 4.412 1.858 1.00 0.00 H new ATOM 0 HD11 ILE A 25 7.011 5.720 -0.797 1.00 0.00 H new ATOM 0 HD12 ILE A 25 7.681 5.951 0.835 1.00 0.00 H new ATOM 0 HD13 ILE A 25 6.758 4.478 0.453 1.00 0.00 H new ATOM 392 N GLY A 26 6.087 8.588 2.626 1.00 0.00 N ATOM 393 CA GLY A 26 6.763 9.861 3.006 1.00 0.00 C ATOM 394 C GLY A 26 5.927 11.049 2.525 1.00 0.00 C ATOM 395 O GLY A 26 4.746 11.141 2.798 1.00 0.00 O ATOM 0 H GLY A 26 6.601 8.002 1.968 1.00 0.00 H new ATOM 0 HA2 GLY A 26 6.891 9.908 4.087 1.00 0.00 H new ATOM 0 HA3 GLY A 26 7.759 9.902 2.565 1.00 0.00 H new ATOM 399 N GLY A 27 6.529 11.958 1.809 1.00 0.00 N ATOM 400 CA GLY A 27 5.770 13.139 1.308 1.00 0.00 C ATOM 401 C GLY A 27 5.777 13.135 -0.220 1.00 0.00 C ATOM 402 O GLY A 27 4.799 13.473 -0.856 1.00 0.00 O ATOM 0 H GLY A 27 7.515 11.934 1.549 1.00 0.00 H new ATOM 0 HA2 GLY A 27 4.745 13.110 1.678 1.00 0.00 H new ATOM 0 HA3 GLY A 27 6.219 14.059 1.682 1.00 0.00 H new ATOM 406 N GLY A 28 6.875 12.754 -0.815 1.00 0.00 N ATOM 407 CA GLY A 28 6.944 12.726 -2.303 1.00 0.00 C ATOM 408 C GLY A 28 6.738 11.294 -2.800 1.00 0.00 C ATOM 409 O GLY A 28 6.785 11.028 -3.984 1.00 0.00 O ATOM 0 H GLY A 28 7.726 12.461 -0.335 1.00 0.00 H new ATOM 0 HA2 GLY A 28 6.182 13.381 -2.725 1.00 0.00 H new ATOM 0 HA3 GLY A 28 7.910 13.103 -2.639 1.00 0.00 H new ATOM 413 N LYS A 29 6.508 10.369 -1.908 1.00 0.00 N ATOM 414 CA LYS A 29 6.300 8.961 -2.343 1.00 0.00 C ATOM 415 C LYS A 29 4.999 8.422 -1.748 1.00 0.00 C ATOM 416 O LYS A 29 4.633 8.726 -0.623 1.00 0.00 O ATOM 417 CB LYS A 29 7.473 8.099 -1.875 1.00 0.00 C ATOM 418 CG LYS A 29 8.626 8.223 -2.872 1.00 0.00 C ATOM 419 CD LYS A 29 9.668 9.204 -2.332 1.00 0.00 C ATOM 420 CE LYS A 29 10.754 9.424 -3.387 1.00 0.00 C ATOM 421 NZ LYS A 29 12.089 9.130 -2.794 1.00 0.00 N ATOM 0 H LYS A 29 6.456 10.527 -0.902 1.00 0.00 H new ATOM 0 HA LYS A 29 6.238 8.928 -3.431 1.00 0.00 H new ATOM 0 HB2 LYS A 29 7.799 8.416 -0.884 1.00 0.00 H new ATOM 0 HB3 LYS A 29 7.162 7.058 -1.790 1.00 0.00 H new ATOM 0 HG2 LYS A 29 9.082 7.247 -3.039 1.00 0.00 H new ATOM 0 HG3 LYS A 29 8.251 8.569 -3.836 1.00 0.00 H new ATOM 0 HD2 LYS A 29 9.194 10.152 -2.079 1.00 0.00 H new ATOM 0 HD3 LYS A 29 10.110 8.814 -1.415 1.00 0.00 H new ATOM 0 HE2 LYS A 29 10.576 8.779 -4.247 1.00 0.00 H new ATOM 0 HE3 LYS A 29 10.723 10.452 -3.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 12.828 9.279 -3.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 12.257 9.763 -1.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 12.115 8.142 -2.471 1.00 0.00 H new ATOM 435 N GLU A 30 4.290 7.621 -2.488 1.00 0.00 N ATOM 436 CA GLU A 30 3.019 7.074 -1.956 1.00 0.00 C ATOM 437 C GLU A 30 2.927 5.577 -2.244 1.00 0.00 C ATOM 438 O GLU A 30 3.503 5.078 -3.187 1.00 0.00 O ATOM 439 CB GLU A 30 1.837 7.797 -2.607 1.00 0.00 C ATOM 440 CG GLU A 30 2.083 9.306 -2.577 1.00 0.00 C ATOM 441 CD GLU A 30 0.742 10.041 -2.541 1.00 0.00 C ATOM 442 OE1 GLU A 30 -0.227 9.488 -3.035 1.00 0.00 O ATOM 443 OE2 GLU A 30 0.707 11.143 -2.020 1.00 0.00 O ATOM 0 H GLU A 30 4.535 7.324 -3.432 1.00 0.00 H new ATOM 0 HA GLU A 30 2.991 7.228 -0.877 1.00 0.00 H new ATOM 0 HB2 GLU A 30 1.712 7.459 -3.636 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.914 7.558 -2.078 1.00 0.00 H new ATOM 0 HG2 GLU A 30 2.678 9.571 -1.703 1.00 0.00 H new ATOM 0 HG3 GLU A 30 2.653 9.610 -3.455 1.00 0.00 H new ATOM 450 N GLY A 31 2.188 4.867 -1.440 1.00 0.00 N ATOM 451 CA GLY A 31 2.029 3.402 -1.655 1.00 0.00 C ATOM 452 C GLY A 31 0.680 3.155 -2.327 1.00 0.00 C ATOM 453 O GLY A 31 -0.032 4.084 -2.652 1.00 0.00 O ATOM 0 H GLY A 31 1.683 5.241 -0.637 1.00 0.00 H new ATOM 0 HA2 GLY A 31 2.838 3.020 -2.278 1.00 0.00 H new ATOM 0 HA3 GLY A 31 2.081 2.872 -0.704 1.00 0.00 H new ATOM 457 N LEU A 32 0.310 1.923 -2.532 1.00 0.00 N ATOM 458 CA LEU A 32 -1.007 1.659 -3.174 1.00 0.00 C ATOM 459 C LEU A 32 -1.585 0.333 -2.694 1.00 0.00 C ATOM 460 O LEU A 32 -1.019 -0.719 -2.914 1.00 0.00 O ATOM 461 CB LEU A 32 -0.862 1.588 -4.688 1.00 0.00 C ATOM 462 CG LEU A 32 -2.244 1.811 -5.294 1.00 0.00 C ATOM 463 CD1 LEU A 32 -2.260 3.143 -6.020 1.00 0.00 C ATOM 464 CD2 LEU A 32 -2.587 0.691 -6.273 1.00 0.00 C ATOM 0 H LEU A 32 0.855 1.096 -2.286 1.00 0.00 H new ATOM 0 HA LEU A 32 -1.672 2.478 -2.899 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.162 2.345 -5.042 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.463 0.619 -4.990 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.986 1.813 -4.495 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -3.245 3.308 -6.455 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -2.036 3.944 -5.316 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -1.510 3.135 -6.811 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.576 0.867 -6.695 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.849 0.670 -7.075 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.581 -0.265 -5.749 1.00 0.00 H new ATOM 476 N VAL A 33 -2.729 0.370 -2.078 1.00 0.00 N ATOM 477 CA VAL A 33 -3.364 -0.891 -1.629 1.00 0.00 C ATOM 478 C VAL A 33 -4.368 -1.320 -2.699 1.00 0.00 C ATOM 479 O VAL A 33 -5.559 -1.389 -2.459 1.00 0.00 O ATOM 480 CB VAL A 33 -4.100 -0.658 -0.316 1.00 0.00 C ATOM 481 CG1 VAL A 33 -4.658 -1.986 0.201 1.00 0.00 C ATOM 482 CG2 VAL A 33 -3.129 -0.072 0.710 1.00 0.00 C ATOM 0 H VAL A 33 -3.251 1.220 -1.867 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.607 -1.661 -1.479 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.923 0.038 -0.476 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -5.184 -1.818 1.141 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -5.349 -2.401 -0.533 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -3.839 -2.686 0.364 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -3.652 0.096 1.651 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -2.306 -0.769 0.872 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.736 0.875 0.339 1.00 0.00 H new ATOM 492 N HIS A 34 -3.908 -1.593 -3.887 1.00 0.00 N ATOM 493 CA HIS A 34 -4.858 -2.001 -4.950 1.00 0.00 C ATOM 494 C HIS A 34 -5.761 -3.109 -4.395 1.00 0.00 C ATOM 495 O HIS A 34 -5.441 -3.750 -3.415 1.00 0.00 O ATOM 496 CB HIS A 34 -4.096 -2.521 -6.170 1.00 0.00 C ATOM 497 CG HIS A 34 -4.980 -2.429 -7.385 1.00 0.00 C ATOM 498 ND1 HIS A 34 -5.083 -3.461 -8.304 1.00 0.00 N ATOM 499 CD2 HIS A 34 -5.814 -1.435 -7.844 1.00 0.00 C ATOM 500 CE1 HIS A 34 -5.947 -3.072 -9.259 1.00 0.00 C ATOM 501 NE2 HIS A 34 -6.422 -1.844 -9.026 1.00 0.00 N ATOM 0 H HIS A 34 -2.927 -1.551 -4.163 1.00 0.00 H new ATOM 0 HA HIS A 34 -5.457 -1.143 -5.256 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -3.188 -1.938 -6.322 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -3.788 -3.554 -6.008 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -5.972 -0.483 -7.360 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -6.223 -3.677 -10.110 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -7.088 -1.320 -9.594 1.00 0.00 H new ATOM 509 N ILE A 35 -6.890 -3.326 -5.004 1.00 0.00 N ATOM 510 CA ILE A 35 -7.824 -4.377 -4.509 1.00 0.00 C ATOM 511 C ILE A 35 -7.087 -5.711 -4.351 1.00 0.00 C ATOM 512 O ILE A 35 -7.183 -6.364 -3.332 1.00 0.00 O ATOM 513 CB ILE A 35 -8.966 -4.537 -5.515 1.00 0.00 C ATOM 514 CG1 ILE A 35 -9.826 -5.748 -5.136 1.00 0.00 C ATOM 515 CG2 ILE A 35 -8.383 -4.744 -6.913 1.00 0.00 C ATOM 516 CD1 ILE A 35 -10.729 -5.384 -3.955 1.00 0.00 C ATOM 0 H ILE A 35 -7.210 -2.818 -5.829 1.00 0.00 H new ATOM 0 HA ILE A 35 -8.220 -4.081 -3.538 1.00 0.00 H new ATOM 0 HB ILE A 35 -9.585 -3.640 -5.504 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -10.431 -6.058 -5.988 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -9.188 -6.592 -4.873 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -9.194 -4.858 -7.632 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -7.776 -3.881 -7.185 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -7.763 -5.641 -6.920 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -11.340 -6.245 -3.686 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -10.114 -5.095 -3.103 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -11.376 -4.553 -4.235 1.00 0.00 H new ATOM 528 N SER A 36 -6.364 -6.128 -5.355 1.00 0.00 N ATOM 529 CA SER A 36 -5.635 -7.427 -5.266 1.00 0.00 C ATOM 530 C SER A 36 -4.318 -7.255 -4.497 1.00 0.00 C ATOM 531 O SER A 36 -3.302 -7.805 -4.873 1.00 0.00 O ATOM 532 CB SER A 36 -5.333 -7.930 -6.678 1.00 0.00 C ATOM 533 OG SER A 36 -6.110 -7.194 -7.614 1.00 0.00 O ATOM 0 H SER A 36 -6.246 -5.625 -6.234 1.00 0.00 H new ATOM 0 HA SER A 36 -6.259 -8.146 -4.736 1.00 0.00 H new ATOM 0 HB2 SER A 36 -4.272 -7.815 -6.898 1.00 0.00 H new ATOM 0 HB3 SER A 36 -5.561 -8.993 -6.755 1.00 0.00 H new ATOM 0 HG SER A 36 -5.918 -7.512 -8.521 1.00 0.00 H new ATOM 539 N GLN A 37 -4.315 -6.504 -3.428 1.00 0.00 N ATOM 540 CA GLN A 37 -3.048 -6.321 -2.663 1.00 0.00 C ATOM 541 C GLN A 37 -3.349 -6.077 -1.181 1.00 0.00 C ATOM 542 O GLN A 37 -2.640 -5.352 -0.512 1.00 0.00 O ATOM 543 CB GLN A 37 -2.284 -5.124 -3.228 1.00 0.00 C ATOM 544 CG GLN A 37 -2.357 -5.145 -4.757 1.00 0.00 C ATOM 545 CD GLN A 37 -1.588 -3.948 -5.319 1.00 0.00 C ATOM 546 OE1 GLN A 37 -1.052 -3.152 -4.573 1.00 0.00 O ATOM 547 NE2 GLN A 37 -1.507 -3.784 -6.610 1.00 0.00 N ATOM 0 H GLN A 37 -5.127 -6.013 -3.054 1.00 0.00 H new ATOM 0 HA GLN A 37 -2.446 -7.225 -2.757 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -2.708 -4.195 -2.846 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -1.244 -5.157 -2.903 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -1.935 -6.074 -5.139 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -3.396 -5.109 -5.083 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -1.956 -4.451 -7.238 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -0.995 -2.989 -6.992 1.00 0.00 H new ATOM 556 N ILE A 38 -4.388 -6.671 -0.653 1.00 0.00 N ATOM 557 CA ILE A 38 -4.702 -6.452 0.789 1.00 0.00 C ATOM 558 C ILE A 38 -4.401 -7.718 1.592 1.00 0.00 C ATOM 559 O ILE A 38 -3.283 -7.953 2.007 1.00 0.00 O ATOM 560 CB ILE A 38 -6.176 -6.075 0.966 1.00 0.00 C ATOM 561 CG1 ILE A 38 -6.420 -4.674 0.398 1.00 0.00 C ATOM 562 CG2 ILE A 38 -6.507 -6.075 2.459 1.00 0.00 C ATOM 563 CD1 ILE A 38 -6.071 -4.654 -1.090 1.00 0.00 C ATOM 0 H ILE A 38 -5.026 -7.291 -1.152 1.00 0.00 H new ATOM 0 HA ILE A 38 -4.080 -5.635 1.154 1.00 0.00 H new ATOM 0 HB ILE A 38 -6.806 -6.793 0.440 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -7.462 -4.390 0.541 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -5.814 -3.943 0.934 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -7.554 -5.808 2.599 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -6.327 -7.068 2.872 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -5.876 -5.349 2.972 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -6.246 -3.656 -1.491 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -5.022 -4.919 -1.221 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -6.696 -5.373 -1.620 1.00 0.00 H new ATOM 575 N ALA A 39 -5.395 -8.521 1.833 1.00 0.00 N ATOM 576 CA ALA A 39 -5.184 -9.761 2.629 1.00 0.00 C ATOM 577 C ALA A 39 -4.883 -10.944 1.702 1.00 0.00 C ATOM 578 O ALA A 39 -5.442 -12.013 1.851 1.00 0.00 O ATOM 579 CB ALA A 39 -6.444 -10.053 3.444 1.00 0.00 C ATOM 0 H ALA A 39 -6.351 -8.372 1.511 1.00 0.00 H new ATOM 0 HA ALA A 39 -4.335 -9.618 3.298 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -6.296 -10.960 4.030 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -6.646 -9.217 4.114 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -7.290 -10.190 2.770 1.00 0.00 H new ATOM 585 N ASP A 40 -3.996 -10.760 0.758 1.00 0.00 N ATOM 586 CA ASP A 40 -3.633 -11.872 -0.175 1.00 0.00 C ATOM 587 C ASP A 40 -4.649 -11.966 -1.319 1.00 0.00 C ATOM 588 O ASP A 40 -4.284 -12.099 -2.471 1.00 0.00 O ATOM 589 CB ASP A 40 -3.599 -13.199 0.588 1.00 0.00 C ATOM 590 CG ASP A 40 -2.630 -14.162 -0.100 1.00 0.00 C ATOM 591 OD1 ASP A 40 -1.476 -13.799 -0.256 1.00 0.00 O ATOM 592 OD2 ASP A 40 -3.058 -15.247 -0.459 1.00 0.00 O ATOM 0 H ASP A 40 -3.504 -9.882 0.592 1.00 0.00 H new ATOM 0 HA ASP A 40 -2.648 -11.666 -0.594 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -3.288 -13.029 1.619 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -4.597 -13.635 0.624 1.00 0.00 H new ATOM 597 N LYS A 41 -5.919 -11.906 -1.021 1.00 0.00 N ATOM 598 CA LYS A 41 -6.936 -12.001 -2.110 1.00 0.00 C ATOM 599 C LYS A 41 -8.310 -11.579 -1.583 1.00 0.00 C ATOM 600 O LYS A 41 -9.110 -11.017 -2.303 1.00 0.00 O ATOM 601 CB LYS A 41 -7.008 -13.444 -2.614 1.00 0.00 C ATOM 602 CG LYS A 41 -7.289 -13.444 -4.119 1.00 0.00 C ATOM 603 CD LYS A 41 -5.965 -13.496 -4.885 1.00 0.00 C ATOM 604 CE LYS A 41 -5.488 -14.946 -4.984 1.00 0.00 C ATOM 605 NZ LYS A 41 -4.919 -15.190 -6.340 1.00 0.00 N ATOM 0 H LYS A 41 -6.295 -11.796 -0.079 1.00 0.00 H new ATOM 0 HA LYS A 41 -6.647 -11.339 -2.926 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -6.070 -13.960 -2.408 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -7.793 -13.986 -2.086 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -7.909 -14.301 -4.384 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -7.847 -12.549 -4.396 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -6.093 -13.076 -5.882 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -5.215 -12.889 -4.377 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -4.736 -15.146 -4.221 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -6.319 -15.627 -4.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -4.594 -16.176 -6.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -5.649 -15.015 -7.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -4.116 -14.549 -6.500 1.00 0.00 H new ATOM 619 N ARG A 42 -8.595 -11.850 -0.340 1.00 0.00 N ATOM 620 CA ARG A 42 -9.921 -11.462 0.218 1.00 0.00 C ATOM 621 C ARG A 42 -10.131 -9.956 0.046 1.00 0.00 C ATOM 622 O ARG A 42 -9.501 -9.320 -0.773 1.00 0.00 O ATOM 623 CB ARG A 42 -9.970 -11.814 1.706 1.00 0.00 C ATOM 624 CG ARG A 42 -9.331 -13.185 1.932 1.00 0.00 C ATOM 625 CD ARG A 42 -10.035 -13.890 3.093 1.00 0.00 C ATOM 626 NE ARG A 42 -11.398 -14.312 2.664 1.00 0.00 N ATOM 627 CZ ARG A 42 -12.038 -15.233 3.330 1.00 0.00 C ATOM 628 NH1 ARG A 42 -12.692 -14.918 4.414 1.00 0.00 N ATOM 629 NH2 ARG A 42 -12.022 -16.469 2.912 1.00 0.00 N ATOM 0 H ARG A 42 -7.969 -12.322 0.313 1.00 0.00 H new ATOM 0 HA ARG A 42 -10.707 -12.000 -0.312 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -9.443 -11.056 2.286 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -11.003 -11.821 2.054 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -9.407 -13.787 1.027 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -8.269 -13.072 2.151 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -9.457 -14.758 3.410 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -10.103 -13.221 3.951 1.00 0.00 H new ATOM 0 HE ARG A 42 -11.831 -13.880 1.848 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -12.703 -13.952 4.740 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -13.193 -15.638 4.935 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -11.509 -16.714 2.065 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -12.522 -17.190 3.432 1.00 0.00 H new ATOM 643 N VAL A 43 -11.014 -9.388 0.821 1.00 0.00 N ATOM 644 CA VAL A 43 -11.282 -7.924 0.725 1.00 0.00 C ATOM 645 C VAL A 43 -12.211 -7.633 -0.451 1.00 0.00 C ATOM 646 O VAL A 43 -11.904 -6.832 -1.311 1.00 0.00 O ATOM 647 CB VAL A 43 -9.976 -7.153 0.542 1.00 0.00 C ATOM 648 CG1 VAL A 43 -10.223 -5.666 0.802 1.00 0.00 C ATOM 649 CG2 VAL A 43 -8.941 -7.673 1.534 1.00 0.00 C ATOM 0 H VAL A 43 -11.567 -9.880 1.523 1.00 0.00 H new ATOM 0 HA VAL A 43 -11.760 -7.603 1.651 1.00 0.00 H new ATOM 0 HB VAL A 43 -9.610 -7.290 -0.476 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -9.292 -5.114 0.672 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -10.967 -5.292 0.099 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -10.586 -5.530 1.821 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -8.007 -7.125 1.406 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -9.308 -7.532 2.551 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -8.766 -8.734 1.355 1.00 0.00 H new ATOM 659 N GLU A 44 -13.355 -8.259 -0.492 1.00 0.00 N ATOM 660 CA GLU A 44 -14.298 -7.986 -1.609 1.00 0.00 C ATOM 661 C GLU A 44 -14.418 -6.472 -1.767 1.00 0.00 C ATOM 662 O GLU A 44 -14.707 -5.963 -2.831 1.00 0.00 O ATOM 663 CB GLU A 44 -15.670 -8.580 -1.288 1.00 0.00 C ATOM 664 CG GLU A 44 -15.536 -10.089 -1.080 1.00 0.00 C ATOM 665 CD GLU A 44 -15.585 -10.404 0.417 1.00 0.00 C ATOM 666 OE1 GLU A 44 -16.558 -10.029 1.050 1.00 0.00 O ATOM 667 OE2 GLU A 44 -14.647 -11.013 0.904 1.00 0.00 O ATOM 0 H GLU A 44 -13.674 -8.942 0.195 1.00 0.00 H new ATOM 0 HA GLU A 44 -13.931 -8.437 -2.531 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -16.080 -8.114 -0.392 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -16.366 -8.375 -2.101 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -16.340 -10.611 -1.599 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -14.598 -10.444 -1.507 1.00 0.00 H new ATOM 674 N LYS A 45 -14.182 -5.753 -0.704 1.00 0.00 N ATOM 675 CA LYS A 45 -14.263 -4.270 -0.766 1.00 0.00 C ATOM 676 C LYS A 45 -12.964 -3.683 -0.203 1.00 0.00 C ATOM 677 O LYS A 45 -12.566 -3.978 0.906 1.00 0.00 O ATOM 678 CB LYS A 45 -15.456 -3.790 0.061 1.00 0.00 C ATOM 679 CG LYS A 45 -16.757 -4.198 -0.636 1.00 0.00 C ATOM 680 CD LYS A 45 -17.480 -5.250 0.207 1.00 0.00 C ATOM 681 CE LYS A 45 -18.697 -4.616 0.882 1.00 0.00 C ATOM 682 NZ LYS A 45 -19.647 -5.684 1.303 1.00 0.00 N ATOM 0 H LYS A 45 -13.935 -6.134 0.210 1.00 0.00 H new ATOM 0 HA LYS A 45 -14.395 -3.943 -1.798 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -15.416 -4.221 1.061 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -15.418 -2.707 0.179 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -17.396 -3.326 -0.775 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -16.541 -4.597 -1.627 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -17.793 -6.083 -0.422 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -16.804 -5.656 0.960 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -18.383 -4.033 1.748 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -19.189 -3.927 0.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -20.474 -5.252 1.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -19.956 -6.222 0.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -19.175 -6.324 1.973 1.00 0.00 H new ATOM 696 N VAL A 46 -12.300 -2.862 -0.965 1.00 0.00 N ATOM 697 CA VAL A 46 -11.014 -2.259 -0.481 1.00 0.00 C ATOM 698 C VAL A 46 -11.319 -1.254 0.629 1.00 0.00 C ATOM 699 O VAL A 46 -10.497 -0.985 1.490 1.00 0.00 O ATOM 700 CB VAL A 46 -10.265 -1.544 -1.624 1.00 0.00 C ATOM 701 CG1 VAL A 46 -8.891 -2.194 -1.813 1.00 0.00 C ATOM 702 CG2 VAL A 46 -11.051 -1.644 -2.936 1.00 0.00 C ATOM 0 H VAL A 46 -12.586 -2.578 -1.902 1.00 0.00 H new ATOM 0 HA VAL A 46 -10.378 -3.060 -0.105 1.00 0.00 H new ATOM 0 HB VAL A 46 -10.153 -0.492 -1.361 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -8.359 -1.691 -2.620 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -8.317 -2.107 -0.890 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -9.018 -3.247 -2.063 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -10.504 -1.133 -3.728 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -11.181 -2.693 -3.203 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -12.028 -1.178 -2.811 1.00 0.00 H new ATOM 712 N THR A 47 -12.501 -0.704 0.622 1.00 0.00 N ATOM 713 CA THR A 47 -12.876 0.279 1.677 1.00 0.00 C ATOM 714 C THR A 47 -13.168 -0.454 2.993 1.00 0.00 C ATOM 715 O THR A 47 -13.577 0.146 3.965 1.00 0.00 O ATOM 716 CB THR A 47 -14.126 1.045 1.236 1.00 0.00 C ATOM 717 OG1 THR A 47 -15.035 0.147 0.613 1.00 0.00 O ATOM 718 CG2 THR A 47 -13.732 2.143 0.248 1.00 0.00 C ATOM 0 H THR A 47 -13.226 -0.893 -0.071 1.00 0.00 H new ATOM 0 HA THR A 47 -12.051 0.975 1.828 1.00 0.00 H new ATOM 0 HB THR A 47 -14.601 1.497 2.106 1.00 0.00 H new ATOM 0 HG1 THR A 47 -15.837 0.636 0.332 1.00 0.00 H new ATOM 0 HG21 THR A 47 -14.623 2.687 -0.065 1.00 0.00 H new ATOM 0 HG22 THR A 47 -13.036 2.831 0.727 1.00 0.00 H new ATOM 0 HG23 THR A 47 -13.256 1.694 -0.624 1.00 0.00 H new ATOM 726 N ASP A 48 -12.954 -1.743 3.038 1.00 0.00 N ATOM 727 CA ASP A 48 -13.213 -2.496 4.297 1.00 0.00 C ATOM 728 C ASP A 48 -11.884 -2.743 5.000 1.00 0.00 C ATOM 729 O ASP A 48 -11.796 -2.737 6.212 1.00 0.00 O ATOM 730 CB ASP A 48 -13.878 -3.839 3.978 1.00 0.00 C ATOM 731 CG ASP A 48 -15.207 -3.590 3.265 1.00 0.00 C ATOM 732 OD1 ASP A 48 -15.465 -2.450 2.915 1.00 0.00 O ATOM 733 OD2 ASP A 48 -15.946 -4.543 3.081 1.00 0.00 O ATOM 0 H ASP A 48 -12.612 -2.304 2.258 1.00 0.00 H new ATOM 0 HA ASP A 48 -13.877 -1.918 4.939 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -13.223 -4.442 3.349 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -14.045 -4.402 4.896 1.00 0.00 H new ATOM 738 N TYR A 49 -10.845 -2.952 4.243 1.00 0.00 N ATOM 739 CA TYR A 49 -9.517 -3.189 4.858 1.00 0.00 C ATOM 740 C TYR A 49 -8.814 -1.847 5.047 1.00 0.00 C ATOM 741 O TYR A 49 -8.085 -1.648 5.998 1.00 0.00 O ATOM 742 CB TYR A 49 -8.685 -4.092 3.952 1.00 0.00 C ATOM 743 CG TYR A 49 -9.236 -5.494 4.027 1.00 0.00 C ATOM 744 CD1 TYR A 49 -10.571 -5.733 3.682 1.00 0.00 C ATOM 745 CD2 TYR A 49 -8.423 -6.553 4.454 1.00 0.00 C ATOM 746 CE1 TYR A 49 -11.094 -7.024 3.762 1.00 0.00 C ATOM 747 CE2 TYR A 49 -8.950 -7.846 4.537 1.00 0.00 C ATOM 748 CZ TYR A 49 -10.286 -8.083 4.191 1.00 0.00 C ATOM 749 OH TYR A 49 -10.806 -9.359 4.271 1.00 0.00 O ATOM 0 H TYR A 49 -10.861 -2.968 3.223 1.00 0.00 H new ATOM 0 HA TYR A 49 -9.637 -3.678 5.825 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -8.716 -3.728 2.925 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -7.640 -4.080 4.263 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -11.197 -4.917 3.353 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -7.392 -6.371 4.718 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -12.124 -7.206 3.492 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -8.326 -8.663 4.868 1.00 0.00 H new ATOM 0 HH TYR A 49 -10.112 -9.976 4.585 1.00 0.00 H new ATOM 759 N LEU A 50 -9.027 -0.916 4.152 1.00 0.00 N ATOM 760 CA LEU A 50 -8.361 0.407 4.308 1.00 0.00 C ATOM 761 C LEU A 50 -9.351 1.441 4.842 1.00 0.00 C ATOM 762 O LEU A 50 -10.548 1.329 4.662 1.00 0.00 O ATOM 763 CB LEU A 50 -7.815 0.868 2.965 1.00 0.00 C ATOM 764 CG LEU A 50 -6.294 0.813 3.019 1.00 0.00 C ATOM 765 CD1 LEU A 50 -5.797 -0.290 2.094 1.00 0.00 C ATOM 766 CD2 LEU A 50 -5.721 2.154 2.575 1.00 0.00 C ATOM 0 H LEU A 50 -9.625 -1.014 3.332 1.00 0.00 H new ATOM 0 HA LEU A 50 -7.541 0.305 5.019 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -8.189 0.230 2.164 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -8.150 1.882 2.747 1.00 0.00 H new ATOM 0 HG LEU A 50 -5.970 0.604 4.039 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -4.708 -0.332 2.130 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -6.208 -1.247 2.415 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -6.118 -0.081 1.074 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.632 2.115 2.613 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -6.041 2.366 1.555 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -6.080 2.941 3.239 1.00 0.00 H new ATOM 778 N GLN A 51 -8.852 2.452 5.501 1.00 0.00 N ATOM 779 CA GLN A 51 -9.746 3.505 6.055 1.00 0.00 C ATOM 780 C GLN A 51 -9.060 4.866 5.922 1.00 0.00 C ATOM 781 O GLN A 51 -7.896 5.018 6.234 1.00 0.00 O ATOM 782 CB GLN A 51 -10.022 3.214 7.532 1.00 0.00 C ATOM 783 CG GLN A 51 -11.326 2.426 7.663 1.00 0.00 C ATOM 784 CD GLN A 51 -12.415 3.333 8.241 1.00 0.00 C ATOM 785 OE1 GLN A 51 -12.175 4.066 9.180 1.00 0.00 O ATOM 786 NE2 GLN A 51 -13.610 3.314 7.718 1.00 0.00 N ATOM 0 H GLN A 51 -7.858 2.593 5.679 1.00 0.00 H new ATOM 0 HA GLN A 51 -10.688 3.514 5.507 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -9.197 2.646 7.962 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -10.091 4.147 8.091 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -11.633 2.046 6.689 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -11.177 1.561 8.309 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -13.812 2.699 6.930 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -14.342 3.914 8.097 1.00 0.00 H new ATOM 795 N MET A 52 -9.771 5.856 5.457 1.00 0.00 N ATOM 796 CA MET A 52 -9.158 7.206 5.299 1.00 0.00 C ATOM 797 C MET A 52 -8.759 7.759 6.669 1.00 0.00 C ATOM 798 O MET A 52 -9.580 8.265 7.408 1.00 0.00 O ATOM 799 CB MET A 52 -10.170 8.149 4.645 1.00 0.00 C ATOM 800 CG MET A 52 -10.065 8.036 3.124 1.00 0.00 C ATOM 801 SD MET A 52 -11.556 8.725 2.363 1.00 0.00 S ATOM 802 CE MET A 52 -10.737 9.616 1.017 1.00 0.00 C ATOM 0 H MET A 52 -10.750 5.789 5.179 1.00 0.00 H new ATOM 0 HA MET A 52 -8.270 7.127 4.672 1.00 0.00 H new ATOM 0 HB2 MET A 52 -11.180 7.898 4.970 1.00 0.00 H new ATOM 0 HB3 MET A 52 -9.981 9.176 4.958 1.00 0.00 H new ATOM 0 HG2 MET A 52 -9.183 8.569 2.769 1.00 0.00 H new ATOM 0 HG3 MET A 52 -9.945 6.992 2.834 1.00 0.00 H new ATOM 0 HE1 MET A 52 -11.485 10.124 0.409 1.00 0.00 H new ATOM 0 HE2 MET A 52 -10.048 10.350 1.433 1.00 0.00 H new ATOM 0 HE3 MET A 52 -10.184 8.910 0.397 1.00 0.00 H new ATOM 812 N GLY A 53 -7.501 7.673 7.013 1.00 0.00 N ATOM 813 CA GLY A 53 -7.054 8.202 8.334 1.00 0.00 C ATOM 814 C GLY A 53 -6.223 7.143 9.065 1.00 0.00 C ATOM 815 O GLY A 53 -5.406 7.457 9.908 1.00 0.00 O ATOM 0 H GLY A 53 -6.766 7.261 6.438 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -6.463 9.107 8.192 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -7.919 8.478 8.937 1.00 0.00 H new ATOM 819 N GLN A 54 -6.427 5.892 8.753 1.00 0.00 N ATOM 820 CA GLN A 54 -5.651 4.818 9.435 1.00 0.00 C ATOM 821 C GLN A 54 -4.250 4.723 8.824 1.00 0.00 C ATOM 822 O GLN A 54 -4.019 5.142 7.707 1.00 0.00 O ATOM 823 CB GLN A 54 -6.371 3.479 9.258 1.00 0.00 C ATOM 824 CG GLN A 54 -7.642 3.466 10.108 1.00 0.00 C ATOM 825 CD GLN A 54 -7.275 3.660 11.580 1.00 0.00 C ATOM 826 OE1 GLN A 54 -7.048 4.771 12.020 1.00 0.00 O ATOM 827 NE2 GLN A 54 -7.205 2.622 12.366 1.00 0.00 N ATOM 0 H GLN A 54 -7.097 5.568 8.056 1.00 0.00 H new ATOM 0 HA GLN A 54 -5.568 5.054 10.496 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -6.621 3.325 8.208 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -5.715 2.660 9.553 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -8.317 4.258 9.783 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -8.171 2.522 9.976 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -7.395 1.690 11.998 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -6.960 2.742 13.349 1.00 0.00 H new ATOM 836 N GLU A 55 -3.316 4.167 9.547 1.00 0.00 N ATOM 837 CA GLU A 55 -1.933 4.035 9.007 1.00 0.00 C ATOM 838 C GLU A 55 -1.641 2.558 8.740 1.00 0.00 C ATOM 839 O GLU A 55 -1.541 1.761 9.652 1.00 0.00 O ATOM 840 CB GLU A 55 -0.930 4.577 10.029 1.00 0.00 C ATOM 841 CG GLU A 55 -1.118 6.088 10.180 1.00 0.00 C ATOM 842 CD GLU A 55 -0.579 6.534 11.540 1.00 0.00 C ATOM 843 OE1 GLU A 55 -0.939 5.918 12.529 1.00 0.00 O ATOM 844 OE2 GLU A 55 0.183 7.487 11.570 1.00 0.00 O ATOM 0 H GLU A 55 -3.451 3.798 10.488 1.00 0.00 H new ATOM 0 HA GLU A 55 -1.844 4.602 8.080 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -1.073 4.084 10.991 1.00 0.00 H new ATOM 0 HB3 GLU A 55 0.088 4.357 9.707 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -0.596 6.612 9.380 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -2.174 6.345 10.093 1.00 0.00 H new ATOM 851 N VAL A 56 -1.515 2.182 7.498 1.00 0.00 N ATOM 852 CA VAL A 56 -1.243 0.753 7.178 1.00 0.00 C ATOM 853 C VAL A 56 0.237 0.567 6.807 1.00 0.00 C ATOM 854 O VAL A 56 0.722 1.185 5.876 1.00 0.00 O ATOM 855 CB VAL A 56 -2.115 0.331 5.995 1.00 0.00 C ATOM 856 CG1 VAL A 56 -3.568 0.721 6.268 1.00 0.00 C ATOM 857 CG2 VAL A 56 -1.627 1.036 4.727 1.00 0.00 C ATOM 0 H VAL A 56 -1.589 2.802 6.691 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.472 0.140 8.050 1.00 0.00 H new ATOM 0 HB VAL A 56 -2.048 -0.749 5.860 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -4.190 0.420 5.425 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -3.915 0.221 7.172 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -3.636 1.801 6.402 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -2.247 0.736 3.882 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -1.695 2.115 4.862 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -0.591 0.759 4.532 1.00 0.00 H new ATOM 867 N PRO A 57 0.912 -0.287 7.541 1.00 0.00 N ATOM 868 CA PRO A 57 2.332 -0.587 7.302 1.00 0.00 C ATOM 869 C PRO A 57 2.471 -1.599 6.158 1.00 0.00 C ATOM 870 O PRO A 57 1.637 -2.466 5.975 1.00 0.00 O ATOM 871 CB PRO A 57 2.799 -1.202 8.623 1.00 0.00 C ATOM 872 CG PRO A 57 1.530 -1.743 9.324 1.00 0.00 C ATOM 873 CD PRO A 57 0.328 -1.021 8.684 1.00 0.00 C ATOM 0 HA PRO A 57 2.914 0.289 7.016 1.00 0.00 H new ATOM 0 HB2 PRO A 57 3.517 -2.003 8.446 1.00 0.00 H new ATOM 0 HB3 PRO A 57 3.298 -0.458 9.243 1.00 0.00 H new ATOM 0 HG2 PRO A 57 1.447 -2.822 9.195 1.00 0.00 H new ATOM 0 HG3 PRO A 57 1.569 -1.553 10.397 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -0.433 -1.729 8.356 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -0.151 -0.343 9.390 1.00 0.00 H new ATOM 881 N VAL A 58 3.517 -1.498 5.386 1.00 0.00 N ATOM 882 CA VAL A 58 3.701 -2.456 4.259 1.00 0.00 C ATOM 883 C VAL A 58 5.175 -2.851 4.155 1.00 0.00 C ATOM 884 O VAL A 58 5.973 -2.567 5.026 1.00 0.00 O ATOM 885 CB VAL A 58 3.233 -1.799 2.951 1.00 0.00 C ATOM 886 CG1 VAL A 58 2.064 -0.859 3.247 1.00 0.00 C ATOM 887 CG2 VAL A 58 4.376 -0.994 2.320 1.00 0.00 C ATOM 0 H VAL A 58 4.250 -0.796 5.486 1.00 0.00 H new ATOM 0 HA VAL A 58 3.109 -3.353 4.439 1.00 0.00 H new ATOM 0 HB VAL A 58 2.921 -2.579 2.257 1.00 0.00 H new ATOM 0 HG11 VAL A 58 1.730 -0.391 2.321 1.00 0.00 H new ATOM 0 HG12 VAL A 58 1.242 -1.427 3.684 1.00 0.00 H new ATOM 0 HG13 VAL A 58 2.385 -0.088 3.947 1.00 0.00 H new ATOM 0 HG21 VAL A 58 4.030 -0.534 1.394 1.00 0.00 H new ATOM 0 HG22 VAL A 58 4.699 -0.217 3.012 1.00 0.00 H new ATOM 0 HG23 VAL A 58 5.213 -1.658 2.104 1.00 0.00 H new ATOM 897 N LYS A 59 5.539 -3.503 3.087 1.00 0.00 N ATOM 898 CA LYS A 59 6.957 -3.917 2.914 1.00 0.00 C ATOM 899 C LYS A 59 7.439 -3.517 1.518 1.00 0.00 C ATOM 900 O LYS A 59 6.907 -3.960 0.521 1.00 0.00 O ATOM 901 CB LYS A 59 7.068 -5.435 3.069 1.00 0.00 C ATOM 902 CG LYS A 59 6.924 -5.815 4.544 1.00 0.00 C ATOM 903 CD LYS A 59 6.263 -7.191 4.652 1.00 0.00 C ATOM 904 CE LYS A 59 7.332 -8.251 4.923 1.00 0.00 C ATOM 905 NZ LYS A 59 6.759 -9.607 4.684 1.00 0.00 N ATOM 0 H LYS A 59 4.914 -3.767 2.325 1.00 0.00 H new ATOM 0 HA LYS A 59 7.571 -3.426 3.668 1.00 0.00 H new ATOM 0 HB2 LYS A 59 6.295 -5.928 2.479 1.00 0.00 H new ATOM 0 HB3 LYS A 59 8.029 -5.780 2.687 1.00 0.00 H new ATOM 0 HG2 LYS A 59 7.902 -5.831 5.024 1.00 0.00 H new ATOM 0 HG3 LYS A 59 6.325 -5.069 5.066 1.00 0.00 H new ATOM 0 HD2 LYS A 59 5.525 -7.190 5.454 1.00 0.00 H new ATOM 0 HD3 LYS A 59 5.731 -7.424 3.730 1.00 0.00 H new ATOM 0 HE2 LYS A 59 8.193 -8.089 4.274 1.00 0.00 H new ATOM 0 HE3 LYS A 59 7.687 -8.170 5.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 7.485 -10.328 4.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 5.951 -9.759 5.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 6.441 -9.680 3.697 1.00 0.00 H new ATOM 919 N VAL A 60 8.448 -2.691 1.442 1.00 0.00 N ATOM 920 CA VAL A 60 8.973 -2.273 0.111 1.00 0.00 C ATOM 921 C VAL A 60 9.311 -3.523 -0.699 1.00 0.00 C ATOM 922 O VAL A 60 10.416 -4.029 -0.650 1.00 0.00 O ATOM 923 CB VAL A 60 10.232 -1.424 0.308 1.00 0.00 C ATOM 924 CG1 VAL A 60 10.804 -1.026 -1.051 1.00 0.00 C ATOM 925 CG2 VAL A 60 9.874 -0.161 1.095 1.00 0.00 C ATOM 0 H VAL A 60 8.931 -2.288 2.245 1.00 0.00 H new ATOM 0 HA VAL A 60 8.225 -1.684 -0.420 1.00 0.00 H new ATOM 0 HB VAL A 60 10.974 -2.003 0.857 1.00 0.00 H new ATOM 0 HG11 VAL A 60 11.700 -0.422 -0.906 1.00 0.00 H new ATOM 0 HG12 VAL A 60 11.059 -1.923 -1.615 1.00 0.00 H new ATOM 0 HG13 VAL A 60 10.062 -0.448 -1.603 1.00 0.00 H new ATOM 0 HG21 VAL A 60 10.769 0.445 1.237 1.00 0.00 H new ATOM 0 HG22 VAL A 60 9.130 0.413 0.543 1.00 0.00 H new ATOM 0 HG23 VAL A 60 9.468 -0.441 2.067 1.00 0.00 H new ATOM 935 N LEU A 61 8.363 -4.035 -1.432 1.00 0.00 N ATOM 936 CA LEU A 61 8.613 -5.256 -2.231 1.00 0.00 C ATOM 937 C LEU A 61 9.583 -4.946 -3.372 1.00 0.00 C ATOM 938 O LEU A 61 10.265 -5.822 -3.865 1.00 0.00 O ATOM 939 CB LEU A 61 7.289 -5.771 -2.801 1.00 0.00 C ATOM 940 CG LEU A 61 7.409 -7.268 -3.094 1.00 0.00 C ATOM 941 CD1 LEU A 61 7.378 -8.048 -1.779 1.00 0.00 C ATOM 942 CD2 LEU A 61 6.237 -7.710 -3.975 1.00 0.00 C ATOM 0 H LEU A 61 7.420 -3.654 -1.509 1.00 0.00 H new ATOM 0 HA LEU A 61 9.055 -6.020 -1.591 1.00 0.00 H new ATOM 0 HB2 LEU A 61 6.481 -5.592 -2.092 1.00 0.00 H new ATOM 0 HB3 LEU A 61 7.038 -5.230 -3.713 1.00 0.00 H new ATOM 0 HG LEU A 61 8.348 -7.463 -3.612 1.00 0.00 H new ATOM 0 HD11 LEU A 61 7.463 -9.115 -1.987 1.00 0.00 H new ATOM 0 HD12 LEU A 61 8.210 -7.733 -1.149 1.00 0.00 H new ATOM 0 HD13 LEU A 61 6.438 -7.853 -1.262 1.00 0.00 H new ATOM 0 HD21 LEU A 61 6.321 -8.776 -4.185 1.00 0.00 H new ATOM 0 HD22 LEU A 61 5.298 -7.515 -3.456 1.00 0.00 H new ATOM 0 HD23 LEU A 61 6.256 -7.154 -4.912 1.00 0.00 H new ATOM 954 N GLU A 62 9.659 -3.713 -3.799 1.00 0.00 N ATOM 955 CA GLU A 62 10.603 -3.387 -4.909 1.00 0.00 C ATOM 956 C GLU A 62 10.305 -2.000 -5.489 1.00 0.00 C ATOM 957 O GLU A 62 9.172 -1.657 -5.771 1.00 0.00 O ATOM 958 CB GLU A 62 10.459 -4.432 -6.018 1.00 0.00 C ATOM 959 CG GLU A 62 11.778 -5.189 -6.182 1.00 0.00 C ATOM 960 CD GLU A 62 11.490 -6.672 -6.427 1.00 0.00 C ATOM 961 OE1 GLU A 62 10.712 -6.964 -7.321 1.00 0.00 O ATOM 962 OE2 GLU A 62 12.051 -7.489 -5.717 1.00 0.00 O ATOM 0 H GLU A 62 9.118 -2.929 -3.435 1.00 0.00 H new ATOM 0 HA GLU A 62 11.618 -3.391 -4.512 1.00 0.00 H new ATOM 0 HB2 GLU A 62 9.656 -5.128 -5.774 1.00 0.00 H new ATOM 0 HB3 GLU A 62 10.187 -3.947 -6.956 1.00 0.00 H new ATOM 0 HG2 GLU A 62 12.345 -4.775 -7.016 1.00 0.00 H new ATOM 0 HG3 GLU A 62 12.391 -5.070 -5.289 1.00 0.00 H new ATOM 969 N VAL A 63 11.326 -1.211 -5.686 1.00 0.00 N ATOM 970 CA VAL A 63 11.133 0.145 -6.271 1.00 0.00 C ATOM 971 C VAL A 63 12.401 0.541 -7.042 1.00 0.00 C ATOM 972 O VAL A 63 12.578 0.168 -8.184 1.00 0.00 O ATOM 973 CB VAL A 63 10.842 1.157 -5.159 1.00 0.00 C ATOM 974 CG1 VAL A 63 10.509 2.512 -5.786 1.00 0.00 C ATOM 975 CG2 VAL A 63 9.647 0.675 -4.336 1.00 0.00 C ATOM 0 H VAL A 63 12.293 -1.450 -5.465 1.00 0.00 H new ATOM 0 HA VAL A 63 10.284 0.136 -6.955 1.00 0.00 H new ATOM 0 HB VAL A 63 11.715 1.254 -4.514 1.00 0.00 H new ATOM 0 HG11 VAL A 63 10.301 3.236 -4.998 1.00 0.00 H new ATOM 0 HG12 VAL A 63 11.355 2.856 -6.381 1.00 0.00 H new ATOM 0 HG13 VAL A 63 9.633 2.411 -6.427 1.00 0.00 H new ATOM 0 HG21 VAL A 63 9.437 1.393 -3.544 1.00 0.00 H new ATOM 0 HG22 VAL A 63 8.774 0.582 -4.982 1.00 0.00 H new ATOM 0 HG23 VAL A 63 9.876 -0.295 -3.895 1.00 0.00 H new ATOM 985 N ASP A 64 13.290 1.280 -6.427 1.00 0.00 N ATOM 986 CA ASP A 64 14.550 1.684 -7.121 1.00 0.00 C ATOM 987 C ASP A 64 14.256 2.061 -8.575 1.00 0.00 C ATOM 988 O ASP A 64 13.128 2.314 -8.946 1.00 0.00 O ATOM 989 CB ASP A 64 15.540 0.518 -7.089 1.00 0.00 C ATOM 990 CG ASP A 64 15.012 -0.625 -7.959 1.00 0.00 C ATOM 991 OD1 ASP A 64 14.218 -1.405 -7.459 1.00 0.00 O ATOM 992 OD2 ASP A 64 15.411 -0.700 -9.110 1.00 0.00 O ATOM 0 H ASP A 64 13.196 1.622 -5.471 1.00 0.00 H new ATOM 0 HA ASP A 64 14.977 2.548 -6.611 1.00 0.00 H new ATOM 0 HB2 ASP A 64 16.515 0.845 -7.452 1.00 0.00 H new ATOM 0 HB3 ASP A 64 15.680 0.174 -6.064 1.00 0.00 H new ATOM 997 N ARG A 65 15.267 2.095 -9.402 1.00 0.00 N ATOM 998 CA ARG A 65 15.049 2.449 -10.833 1.00 0.00 C ATOM 999 C ARG A 65 13.925 1.581 -11.395 1.00 0.00 C ATOM 1000 O ARG A 65 12.885 2.070 -11.790 1.00 0.00 O ATOM 1001 CB ARG A 65 16.333 2.194 -11.625 1.00 0.00 C ATOM 1002 CG ARG A 65 17.438 3.129 -11.128 1.00 0.00 C ATOM 1003 CD ARG A 65 17.201 4.538 -11.675 1.00 0.00 C ATOM 1004 NE ARG A 65 18.257 5.456 -11.161 1.00 0.00 N ATOM 1005 CZ ARG A 65 18.413 6.635 -11.699 1.00 0.00 C ATOM 1006 NH1 ARG A 65 18.717 6.741 -12.964 1.00 0.00 N ATOM 1007 NH2 ARG A 65 18.264 7.709 -10.972 1.00 0.00 N ATOM 0 H ARG A 65 16.234 1.893 -9.148 1.00 0.00 H new ATOM 0 HA ARG A 65 14.779 3.502 -10.914 1.00 0.00 H new ATOM 0 HB2 ARG A 65 16.643 1.155 -11.510 1.00 0.00 H new ATOM 0 HB3 ARG A 65 16.155 2.358 -12.688 1.00 0.00 H new ATOM 0 HG2 ARG A 65 17.450 3.148 -10.038 1.00 0.00 H new ATOM 0 HG3 ARG A 65 18.412 2.761 -11.451 1.00 0.00 H new ATOM 0 HD2 ARG A 65 17.216 4.524 -12.765 1.00 0.00 H new ATOM 0 HD3 ARG A 65 16.216 4.895 -11.374 1.00 0.00 H new ATOM 0 HE ARG A 65 18.857 5.163 -10.390 1.00 0.00 H new ATOM 0 HH11 ARG A 65 18.833 5.902 -13.533 1.00 0.00 H new ATOM 0 HH12 ARG A 65 18.839 7.663 -13.384 1.00 0.00 H new ATOM 0 HH21 ARG A 65 18.026 7.627 -9.984 1.00 0.00 H new ATOM 0 HH22 ARG A 65 18.386 8.630 -11.392 1.00 0.00 H new ATOM 1021 N GLN A 66 14.122 0.292 -11.426 1.00 0.00 N ATOM 1022 CA GLN A 66 13.062 -0.612 -11.950 1.00 0.00 C ATOM 1023 C GLN A 66 12.151 -1.027 -10.794 1.00 0.00 C ATOM 1024 O GLN A 66 12.391 -2.008 -10.119 1.00 0.00 O ATOM 1025 CB GLN A 66 13.708 -1.853 -12.573 1.00 0.00 C ATOM 1026 CG GLN A 66 14.699 -2.464 -11.581 1.00 0.00 C ATOM 1027 CD GLN A 66 14.457 -3.971 -11.483 1.00 0.00 C ATOM 1028 OE1 GLN A 66 14.016 -4.461 -10.463 1.00 0.00 O ATOM 1029 NE2 GLN A 66 14.730 -4.732 -12.508 1.00 0.00 N ATOM 0 H GLN A 66 14.973 -0.174 -11.110 1.00 0.00 H new ATOM 0 HA GLN A 66 12.477 -0.097 -12.712 1.00 0.00 H new ATOM 0 HB2 GLN A 66 12.942 -2.583 -12.834 1.00 0.00 H new ATOM 0 HB3 GLN A 66 14.220 -1.584 -13.497 1.00 0.00 H new ATOM 0 HG2 GLN A 66 15.721 -2.269 -11.905 1.00 0.00 H new ATOM 0 HG3 GLN A 66 14.581 -2.001 -10.601 1.00 0.00 H new ATOM 0 HE21 GLN A 66 15.100 -4.320 -13.365 1.00 0.00 H new ATOM 0 HE22 GLN A 66 14.573 -5.738 -12.452 1.00 0.00 H new ATOM 1038 N GLY A 67 11.111 -0.276 -10.554 1.00 0.00 N ATOM 1039 CA GLY A 67 10.187 -0.608 -9.439 1.00 0.00 C ATOM 1040 C GLY A 67 9.260 0.584 -9.203 1.00 0.00 C ATOM 1041 O GLY A 67 9.635 1.565 -8.592 1.00 0.00 O ATOM 0 H GLY A 67 10.863 0.557 -11.087 1.00 0.00 H new ATOM 0 HA2 GLY A 67 9.605 -1.497 -9.682 1.00 0.00 H new ATOM 0 HA3 GLY A 67 10.751 -0.833 -8.534 1.00 0.00 H new ATOM 1045 N ARG A 68 8.059 0.508 -9.696 1.00 0.00 N ATOM 1046 CA ARG A 68 7.104 1.637 -9.520 1.00 0.00 C ATOM 1047 C ARG A 68 6.324 1.455 -8.217 1.00 0.00 C ATOM 1048 O ARG A 68 5.189 1.023 -8.212 1.00 0.00 O ATOM 1049 CB ARG A 68 6.126 1.663 -10.697 1.00 0.00 C ATOM 1050 CG ARG A 68 6.847 2.168 -11.949 1.00 0.00 C ATOM 1051 CD ARG A 68 5.824 2.431 -13.056 1.00 0.00 C ATOM 1052 NE ARG A 68 5.123 3.720 -12.791 1.00 0.00 N ATOM 1053 CZ ARG A 68 4.126 4.089 -13.548 1.00 0.00 C ATOM 1054 NH1 ARG A 68 4.255 4.079 -14.847 1.00 0.00 N ATOM 1055 NH2 ARG A 68 3.001 4.468 -13.007 1.00 0.00 N ATOM 0 H ARG A 68 7.694 -0.290 -10.216 1.00 0.00 H new ATOM 0 HA ARG A 68 7.658 2.575 -9.482 1.00 0.00 H new ATOM 0 HB2 ARG A 68 5.726 0.665 -10.873 1.00 0.00 H new ATOM 0 HB3 ARG A 68 5.280 2.310 -10.466 1.00 0.00 H new ATOM 0 HG2 ARG A 68 7.396 3.082 -11.722 1.00 0.00 H new ATOM 0 HG3 ARG A 68 7.578 1.432 -12.282 1.00 0.00 H new ATOM 0 HD2 ARG A 68 6.322 2.469 -14.025 1.00 0.00 H new ATOM 0 HD3 ARG A 68 5.103 1.615 -13.100 1.00 0.00 H new ATOM 0 HE ARG A 68 5.423 4.314 -12.018 1.00 0.00 H new ATOM 0 HH11 ARG A 68 5.135 3.783 -15.270 1.00 0.00 H new ATOM 0 HH12 ARG A 68 3.476 4.367 -15.439 1.00 0.00 H new ATOM 0 HH21 ARG A 68 2.900 4.476 -11.992 1.00 0.00 H new ATOM 0 HH22 ARG A 68 2.222 4.756 -13.599 1.00 0.00 H new ATOM 1069 N ILE A 69 6.928 1.795 -7.112 1.00 0.00 N ATOM 1070 CA ILE A 69 6.235 1.659 -5.803 1.00 0.00 C ATOM 1071 C ILE A 69 5.632 0.256 -5.666 1.00 0.00 C ATOM 1072 O ILE A 69 4.430 0.081 -5.703 1.00 0.00 O ATOM 1073 CB ILE A 69 5.127 2.712 -5.709 1.00 0.00 C ATOM 1074 CG1 ILE A 69 5.752 4.082 -5.431 1.00 0.00 C ATOM 1075 CG2 ILE A 69 4.161 2.356 -4.576 1.00 0.00 C ATOM 1076 CD1 ILE A 69 6.326 4.111 -4.012 1.00 0.00 C ATOM 0 H ILE A 69 7.878 2.163 -7.061 1.00 0.00 H new ATOM 0 HA ILE A 69 6.954 1.809 -4.997 1.00 0.00 H new ATOM 0 HB ILE A 69 4.579 2.740 -6.651 1.00 0.00 H new ATOM 0 HG12 ILE A 69 6.540 4.287 -6.156 1.00 0.00 H new ATOM 0 HG13 ILE A 69 5.002 4.864 -5.546 1.00 0.00 H new ATOM 0 HG21 ILE A 69 3.376 3.110 -4.516 1.00 0.00 H new ATOM 0 HG22 ILE A 69 3.714 1.382 -4.772 1.00 0.00 H new ATOM 0 HG23 ILE A 69 4.704 2.322 -3.632 1.00 0.00 H new ATOM 0 HD11 ILE A 69 6.770 5.088 -3.819 1.00 0.00 H new ATOM 0 HD12 ILE A 69 5.528 3.926 -3.293 1.00 0.00 H new ATOM 0 HD13 ILE A 69 7.090 3.340 -3.913 1.00 0.00 H new ATOM 1088 N ARG A 70 6.450 -0.743 -5.485 1.00 0.00 N ATOM 1089 CA ARG A 70 5.907 -2.119 -5.319 1.00 0.00 C ATOM 1090 C ARG A 70 5.842 -2.426 -3.822 1.00 0.00 C ATOM 1091 O ARG A 70 6.673 -3.131 -3.287 1.00 0.00 O ATOM 1092 CB ARG A 70 6.823 -3.128 -6.015 1.00 0.00 C ATOM 1093 CG ARG A 70 5.982 -4.078 -6.870 1.00 0.00 C ATOM 1094 CD ARG A 70 5.278 -3.282 -7.971 1.00 0.00 C ATOM 1095 NE ARG A 70 3.963 -3.911 -8.274 1.00 0.00 N ATOM 1096 CZ ARG A 70 3.801 -4.582 -9.382 1.00 0.00 C ATOM 1097 NH1 ARG A 70 4.793 -5.267 -9.879 1.00 0.00 N ATOM 1098 NH2 ARG A 70 2.646 -4.568 -9.990 1.00 0.00 N ATOM 0 H ARG A 70 7.466 -0.667 -5.445 1.00 0.00 H new ATOM 0 HA ARG A 70 4.914 -2.188 -5.764 1.00 0.00 H new ATOM 0 HB2 ARG A 70 7.548 -2.606 -6.639 1.00 0.00 H new ATOM 0 HB3 ARG A 70 7.388 -3.693 -5.274 1.00 0.00 H new ATOM 0 HG2 ARG A 70 6.617 -4.847 -7.311 1.00 0.00 H new ATOM 0 HG3 ARG A 70 5.247 -4.590 -6.249 1.00 0.00 H new ATOM 0 HD2 ARG A 70 5.135 -2.249 -7.653 1.00 0.00 H new ATOM 0 HD3 ARG A 70 5.896 -3.256 -8.868 1.00 0.00 H new ATOM 0 HE ARG A 70 3.189 -3.818 -7.616 1.00 0.00 H new ATOM 0 HH11 ARG A 70 5.695 -5.278 -9.402 1.00 0.00 H new ATOM 0 HH12 ARG A 70 4.667 -5.792 -10.745 1.00 0.00 H new ATOM 0 HH21 ARG A 70 1.870 -4.033 -9.599 1.00 0.00 H new ATOM 0 HH22 ARG A 70 2.519 -5.092 -10.856 1.00 0.00 H new ATOM 1112 N LEU A 71 4.873 -1.882 -3.139 1.00 0.00 N ATOM 1113 CA LEU A 71 4.768 -2.118 -1.671 1.00 0.00 C ATOM 1114 C LEU A 71 3.933 -3.369 -1.400 1.00 0.00 C ATOM 1115 O LEU A 71 3.086 -3.748 -2.184 1.00 0.00 O ATOM 1116 CB LEU A 71 4.097 -0.913 -1.012 1.00 0.00 C ATOM 1117 CG LEU A 71 4.998 0.314 -1.151 1.00 0.00 C ATOM 1118 CD1 LEU A 71 4.264 1.550 -0.629 1.00 0.00 C ATOM 1119 CD2 LEU A 71 6.278 0.100 -0.340 1.00 0.00 C ATOM 0 H LEU A 71 4.148 -1.283 -3.534 1.00 0.00 H new ATOM 0 HA LEU A 71 5.768 -2.258 -1.260 1.00 0.00 H new ATOM 0 HB2 LEU A 71 3.130 -0.722 -1.478 1.00 0.00 H new ATOM 0 HB3 LEU A 71 3.907 -1.120 0.041 1.00 0.00 H new ATOM 0 HG LEU A 71 5.252 0.461 -2.201 1.00 0.00 H new ATOM 0 HD11 LEU A 71 4.907 2.424 -0.729 1.00 0.00 H new ATOM 0 HD12 LEU A 71 3.352 1.703 -1.207 1.00 0.00 H new ATOM 0 HD13 LEU A 71 4.009 1.405 0.421 1.00 0.00 H new ATOM 0 HD21 LEU A 71 6.921 0.974 -0.438 1.00 0.00 H new ATOM 0 HD22 LEU A 71 6.023 -0.047 0.710 1.00 0.00 H new ATOM 0 HD23 LEU A 71 6.802 -0.780 -0.713 1.00 0.00 H new ATOM 1131 N SER A 72 4.169 -4.010 -0.289 1.00 0.00 N ATOM 1132 CA SER A 72 3.395 -5.237 0.047 1.00 0.00 C ATOM 1133 C SER A 72 2.588 -5.000 1.326 1.00 0.00 C ATOM 1134 O SER A 72 3.137 -4.837 2.397 1.00 0.00 O ATOM 1135 CB SER A 72 4.361 -6.397 0.261 1.00 0.00 C ATOM 1136 OG SER A 72 4.264 -7.297 -0.836 1.00 0.00 O ATOM 0 H SER A 72 4.867 -3.736 0.403 1.00 0.00 H new ATOM 0 HA SER A 72 2.713 -5.474 -0.770 1.00 0.00 H new ATOM 0 HB2 SER A 72 5.381 -6.024 0.351 1.00 0.00 H new ATOM 0 HB3 SER A 72 4.127 -6.913 1.192 1.00 0.00 H new ATOM 0 HG SER A 72 4.310 -8.219 -0.508 1.00 0.00 H new ATOM 1142 N ILE A 73 1.287 -4.982 1.220 1.00 0.00 N ATOM 1143 CA ILE A 73 0.440 -4.758 2.425 1.00 0.00 C ATOM 1144 C ILE A 73 0.927 -5.666 3.562 1.00 0.00 C ATOM 1145 O ILE A 73 0.973 -6.873 3.427 1.00 0.00 O ATOM 1146 CB ILE A 73 -1.030 -5.064 2.068 1.00 0.00 C ATOM 1147 CG1 ILE A 73 -1.736 -3.751 1.707 1.00 0.00 C ATOM 1148 CG2 ILE A 73 -1.760 -5.732 3.244 1.00 0.00 C ATOM 1149 CD1 ILE A 73 -2.122 -3.001 2.984 1.00 0.00 C ATOM 0 H ILE A 73 0.774 -5.113 0.348 1.00 0.00 H new ATOM 0 HA ILE A 73 0.513 -3.722 2.755 1.00 0.00 H new ATOM 0 HB ILE A 73 -1.049 -5.752 1.223 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -1.081 -3.132 1.095 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -2.626 -3.958 1.113 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -2.793 -5.935 2.963 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -1.262 -6.668 3.497 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -1.743 -5.067 4.108 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -2.623 -2.069 2.721 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -2.794 -3.619 3.580 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -1.224 -2.780 3.562 1.00 0.00 H new ATOM 1161 N LYS A 74 1.280 -5.097 4.683 1.00 0.00 N ATOM 1162 CA LYS A 74 1.748 -5.931 5.823 1.00 0.00 C ATOM 1163 C LYS A 74 0.537 -6.532 6.526 1.00 0.00 C ATOM 1164 O LYS A 74 0.645 -7.466 7.295 1.00 0.00 O ATOM 1165 CB LYS A 74 2.513 -5.053 6.809 1.00 0.00 C ATOM 1166 CG LYS A 74 2.914 -5.883 8.030 1.00 0.00 C ATOM 1167 CD LYS A 74 4.353 -5.552 8.427 1.00 0.00 C ATOM 1168 CE LYS A 74 4.353 -4.669 9.675 1.00 0.00 C ATOM 1169 NZ LYS A 74 3.730 -5.409 10.809 1.00 0.00 N ATOM 0 H LYS A 74 1.264 -4.092 4.857 1.00 0.00 H new ATOM 0 HA LYS A 74 2.399 -6.725 5.457 1.00 0.00 H new ATOM 0 HB2 LYS A 74 3.401 -4.639 6.330 1.00 0.00 H new ATOM 0 HB3 LYS A 74 1.894 -4.210 7.117 1.00 0.00 H new ATOM 0 HG2 LYS A 74 2.240 -5.675 8.861 1.00 0.00 H new ATOM 0 HG3 LYS A 74 2.824 -6.946 7.805 1.00 0.00 H new ATOM 0 HD2 LYS A 74 4.908 -6.470 8.619 1.00 0.00 H new ATOM 0 HD3 LYS A 74 4.858 -5.040 7.608 1.00 0.00 H new ATOM 0 HE2 LYS A 74 5.373 -4.383 9.931 1.00 0.00 H new ATOM 0 HE3 LYS A 74 3.803 -3.748 9.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 2.841 -4.943 11.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 3.532 -6.388 10.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 4.381 -5.414 11.620 1.00 0.00 H new ATOM 1183 N GLU A 75 -0.616 -5.990 6.270 1.00 0.00 N ATOM 1184 CA GLU A 75 -1.847 -6.508 6.920 1.00 0.00 C ATOM 1185 C GLU A 75 -1.776 -6.205 8.415 1.00 0.00 C ATOM 1186 O GLU A 75 -2.106 -7.027 9.247 1.00 0.00 O ATOM 1187 CB GLU A 75 -1.935 -8.015 6.694 1.00 0.00 C ATOM 1188 CG GLU A 75 -3.336 -8.377 6.194 1.00 0.00 C ATOM 1189 CD GLU A 75 -4.225 -8.743 7.382 1.00 0.00 C ATOM 1190 OE1 GLU A 75 -4.640 -7.839 8.088 1.00 0.00 O ATOM 1191 OE2 GLU A 75 -4.479 -9.923 7.567 1.00 0.00 O ATOM 0 H GLU A 75 -0.760 -5.205 5.634 1.00 0.00 H new ATOM 0 HA GLU A 75 -2.731 -6.032 6.495 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -1.186 -8.328 5.967 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -1.720 -8.545 7.622 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -3.767 -7.537 5.649 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -3.280 -9.214 5.497 1.00 0.00 H new ATOM 1198 N ALA A 76 -1.338 -5.025 8.758 1.00 0.00 N ATOM 1199 CA ALA A 76 -1.232 -4.653 10.195 1.00 0.00 C ATOM 1200 C ALA A 76 -2.117 -3.436 10.473 1.00 0.00 C ATOM 1201 O ALA A 76 -2.091 -2.952 11.593 1.00 0.00 O ATOM 1202 CB ALA A 76 0.226 -4.311 10.517 1.00 0.00 C ATOM 1203 OXT ALA A 76 -2.805 -3.008 9.561 1.00 0.00 O ATOM 0 H ALA A 76 -1.048 -4.300 8.101 1.00 0.00 H new ATOM 0 HA ALA A 76 -1.560 -5.486 10.817 1.00 0.00 H new ATOM 0 HB1 ALA A 76 0.312 -4.037 11.569 1.00 0.00 H new ATOM 0 HB2 ALA A 76 0.856 -5.177 10.315 1.00 0.00 H new ATOM 0 HB3 ALA A 76 0.549 -3.475 9.897 1.00 0.00 H new TER 1209 ALA A 76