USER MOD reduce.3.24.130724 H: found=0, std=0, add=620, rem=0, adj=12 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+ -179:sc= 0 (180deg=-0.00216) USER MOD Single : A 9 TYR OH : rot 168:sc= -2.05! USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 175:sc= 0.0526 (180deg=0.0501) USER MOD Single : A 14 THR OG1 : rot 180:sc= -1.05 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 HIS : no HE2:sc= -0.203 X(o=-0.2,f=-0.57) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN :FLIP amide:sc= -5.29! C(o=-7.7!,f=-5.3!) 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 46:sc= 0.0511 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= 0 K(o=0,f=-1.8!) USER MOD Single : A 52 MET CE :methyl -138:sc= -2.54! (180deg=-5.71!) USER MOD Single : A 54 GLN : amide:sc= -0.316 X(o=-0.32,f=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= -0.496 K(o=-0.5,f=-1.3) USER MOD Single : A 72 SER OG : rot -160:sc= -5.85! USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 15.546 10.041 2.703 1.00 0.00 N ATOM 2 CA ALA A 1 15.298 8.700 3.306 1.00 0.00 C ATOM 3 C ALA A 1 15.267 7.642 2.201 1.00 0.00 C ATOM 4 O ALA A 1 15.887 6.603 2.306 1.00 0.00 O ATOM 5 CB ALA A 1 13.955 8.711 4.040 1.00 0.00 C ATOM 0 H1 ALA A 1 15.584 10.758 3.455 1.00 0.00 H new ATOM 0 H2 ALA A 1 16.451 10.029 2.190 1.00 0.00 H new ATOM 0 H3 ALA A 1 14.777 10.272 2.043 1.00 0.00 H new ATOM 0 HA ALA A 1 16.095 8.466 4.011 1.00 0.00 H new ATOM 0 HB1 ALA A 1 13.773 7.731 4.481 1.00 0.00 H new ATOM 0 HB2 ALA A 1 13.977 9.465 4.827 1.00 0.00 H new ATOM 0 HB3 ALA A 1 13.157 8.945 3.335 1.00 0.00 H new ATOM 13 N GLU A 2 14.549 7.898 1.141 1.00 0.00 N ATOM 14 CA GLU A 2 14.477 6.905 0.031 1.00 0.00 C ATOM 15 C GLU A 2 13.818 5.627 0.537 1.00 0.00 C ATOM 16 O GLU A 2 13.355 5.557 1.659 1.00 0.00 O ATOM 17 CB GLU A 2 15.886 6.592 -0.474 1.00 0.00 C ATOM 18 CG GLU A 2 15.881 6.529 -2.003 1.00 0.00 C ATOM 19 CD GLU A 2 17.078 7.309 -2.550 1.00 0.00 C ATOM 20 OE1 GLU A 2 17.374 8.360 -2.006 1.00 0.00 O ATOM 21 OE2 GLU A 2 17.678 6.841 -3.504 1.00 0.00 O ATOM 0 H GLU A 2 14.009 8.751 0.996 1.00 0.00 H new ATOM 0 HA GLU A 2 13.888 7.319 -0.787 1.00 0.00 H new ATOM 0 HB2 GLU A 2 16.584 7.357 -0.134 1.00 0.00 H new ATOM 0 HB3 GLU A 2 16.228 5.643 -0.062 1.00 0.00 H new ATOM 0 HG2 GLU A 2 15.927 5.492 -2.335 1.00 0.00 H new ATOM 0 HG3 GLU A 2 14.953 6.947 -2.392 1.00 0.00 H new ATOM 28 N ILE A 3 13.750 4.617 -0.284 1.00 0.00 N ATOM 29 CA ILE A 3 13.098 3.360 0.158 1.00 0.00 C ATOM 30 C ILE A 3 13.951 2.156 -0.235 1.00 0.00 C ATOM 31 O ILE A 3 14.272 1.955 -1.389 1.00 0.00 O ATOM 32 CB ILE A 3 11.711 3.235 -0.486 1.00 0.00 C ATOM 33 CG1 ILE A 3 11.385 4.491 -1.305 1.00 0.00 C ATOM 34 CG2 ILE A 3 10.666 3.075 0.613 1.00 0.00 C ATOM 35 CD1 ILE A 3 11.109 5.662 -0.358 1.00 0.00 C ATOM 0 H ILE A 3 14.116 4.610 -1.236 1.00 0.00 H new ATOM 0 HA ILE A 3 12.993 3.385 1.243 1.00 0.00 H new ATOM 0 HB ILE A 3 11.704 2.368 -1.147 1.00 0.00 H new ATOM 0 HG12 ILE A 3 12.217 4.733 -1.966 1.00 0.00 H new ATOM 0 HG13 ILE A 3 10.517 4.310 -1.939 1.00 0.00 H new ATOM 0 HG21 ILE A 3 9.677 2.985 0.164 1.00 0.00 H new ATOM 0 HG22 ILE A 3 10.883 2.179 1.194 1.00 0.00 H new ATOM 0 HG23 ILE A 3 10.690 3.946 1.267 1.00 0.00 H new ATOM 0 HD11 ILE A 3 10.878 6.554 -0.940 1.00 0.00 H new ATOM 0 HD12 ILE A 3 10.263 5.419 0.285 1.00 0.00 H new ATOM 0 HD13 ILE A 3 11.990 5.848 0.257 1.00 0.00 H new ATOM 47 N GLU A 4 14.312 1.348 0.724 1.00 0.00 N ATOM 48 CA GLU A 4 15.135 0.146 0.422 1.00 0.00 C ATOM 49 C GLU A 4 14.215 -1.073 0.333 1.00 0.00 C ATOM 50 O GLU A 4 13.235 -1.175 1.046 1.00 0.00 O ATOM 51 CB GLU A 4 16.159 -0.067 1.539 1.00 0.00 C ATOM 52 CG GLU A 4 17.517 -0.420 0.929 1.00 0.00 C ATOM 53 CD GLU A 4 18.418 0.816 0.943 1.00 0.00 C ATOM 54 OE1 GLU A 4 17.891 1.909 0.822 1.00 0.00 O ATOM 55 OE2 GLU A 4 19.619 0.648 1.073 1.00 0.00 O ATOM 0 H GLU A 4 14.071 1.470 1.707 1.00 0.00 H new ATOM 0 HA GLU A 4 15.660 0.284 -0.523 1.00 0.00 H new ATOM 0 HB2 GLU A 4 16.244 0.835 2.145 1.00 0.00 H new ATOM 0 HB3 GLU A 4 15.828 -0.866 2.202 1.00 0.00 H new ATOM 0 HG2 GLU A 4 17.982 -1.229 1.493 1.00 0.00 H new ATOM 0 HG3 GLU A 4 17.387 -0.777 -0.093 1.00 0.00 H new ATOM 62 N VAL A 5 14.512 -1.995 -0.540 1.00 0.00 N ATOM 63 CA VAL A 5 13.645 -3.198 -0.672 1.00 0.00 C ATOM 64 C VAL A 5 13.903 -4.149 0.498 1.00 0.00 C ATOM 65 O VAL A 5 14.936 -4.099 1.136 1.00 0.00 O ATOM 66 CB VAL A 5 13.951 -3.897 -2.001 1.00 0.00 C ATOM 67 CG1 VAL A 5 13.488 -5.357 -1.956 1.00 0.00 C ATOM 68 CG2 VAL A 5 13.205 -3.171 -3.116 1.00 0.00 C ATOM 0 H VAL A 5 15.316 -1.967 -1.167 1.00 0.00 H new ATOM 0 HA VAL A 5 12.596 -2.900 -0.657 1.00 0.00 H new ATOM 0 HB VAL A 5 15.026 -3.875 -2.181 1.00 0.00 H new ATOM 0 HG11 VAL A 5 13.712 -5.839 -2.907 1.00 0.00 H new ATOM 0 HG12 VAL A 5 14.008 -5.879 -1.153 1.00 0.00 H new ATOM 0 HG13 VAL A 5 12.414 -5.393 -1.776 1.00 0.00 H new ATOM 0 HG21 VAL A 5 13.413 -3.657 -4.069 1.00 0.00 H new ATOM 0 HG22 VAL A 5 12.134 -3.203 -2.918 1.00 0.00 H new ATOM 0 HG23 VAL A 5 13.535 -2.133 -3.159 1.00 0.00 H new ATOM 78 N GLY A 6 12.965 -5.007 0.789 1.00 0.00 N ATOM 79 CA GLY A 6 13.149 -5.953 1.922 1.00 0.00 C ATOM 80 C GLY A 6 12.930 -5.208 3.238 1.00 0.00 C ATOM 81 O GLY A 6 13.066 -5.765 4.308 1.00 0.00 O ATOM 0 H GLY A 6 12.079 -5.093 0.290 1.00 0.00 H new ATOM 0 HA2 GLY A 6 12.446 -6.782 1.838 1.00 0.00 H new ATOM 0 HA3 GLY A 6 14.151 -6.381 1.895 1.00 0.00 H new ATOM 85 N ARG A 7 12.592 -3.948 3.167 1.00 0.00 N ATOM 86 CA ARG A 7 12.368 -3.170 4.418 1.00 0.00 C ATOM 87 C ARG A 7 10.869 -3.114 4.729 1.00 0.00 C ATOM 88 O ARG A 7 10.056 -3.653 4.006 1.00 0.00 O ATOM 89 CB ARG A 7 12.905 -1.749 4.237 1.00 0.00 C ATOM 90 CG ARG A 7 13.357 -1.196 5.589 1.00 0.00 C ATOM 91 CD ARG A 7 14.521 -0.227 5.380 1.00 0.00 C ATOM 92 NE ARG A 7 14.576 0.732 6.517 1.00 0.00 N ATOM 93 CZ ARG A 7 14.225 1.975 6.337 1.00 0.00 C ATOM 94 NH1 ARG A 7 15.091 2.838 5.882 1.00 0.00 N ATOM 95 NH2 ARG A 7 13.006 2.355 6.611 1.00 0.00 N ATOM 0 H ARG A 7 12.462 -3.426 2.300 1.00 0.00 H new ATOM 0 HA ARG A 7 12.890 -3.655 5.243 1.00 0.00 H new ATOM 0 HB2 ARG A 7 13.740 -1.751 3.536 1.00 0.00 H new ATOM 0 HB3 ARG A 7 12.133 -1.109 3.811 1.00 0.00 H new ATOM 0 HG2 ARG A 7 12.529 -0.686 6.080 1.00 0.00 H new ATOM 0 HG3 ARG A 7 13.662 -2.012 6.244 1.00 0.00 H new ATOM 0 HD2 ARG A 7 15.459 -0.778 5.309 1.00 0.00 H new ATOM 0 HD3 ARG A 7 14.396 0.312 4.441 1.00 0.00 H new ATOM 0 HE ARG A 7 14.888 0.417 7.436 1.00 0.00 H new ATOM 0 HH11 ARG A 7 16.043 2.541 5.667 1.00 0.00 H new ATOM 0 HH12 ARG A 7 14.816 3.810 5.741 1.00 0.00 H new ATOM 0 HH21 ARG A 7 12.329 1.680 6.966 1.00 0.00 H new ATOM 0 HH22 ARG A 7 12.731 3.327 6.470 1.00 0.00 H new ATOM 109 N VAL A 8 10.499 -2.466 5.800 1.00 0.00 N ATOM 110 CA VAL A 8 9.055 -2.370 6.158 1.00 0.00 C ATOM 111 C VAL A 8 8.643 -0.897 6.177 1.00 0.00 C ATOM 112 O VAL A 8 9.411 -0.038 6.563 1.00 0.00 O ATOM 113 CB VAL A 8 8.830 -2.985 7.543 1.00 0.00 C ATOM 114 CG1 VAL A 8 7.387 -2.740 7.987 1.00 0.00 C ATOM 115 CG2 VAL A 8 9.088 -4.491 7.479 1.00 0.00 C ATOM 0 H VAL A 8 11.136 -1.998 6.444 1.00 0.00 H new ATOM 0 HA VAL A 8 8.456 -2.909 5.424 1.00 0.00 H new ATOM 0 HB VAL A 8 9.513 -2.524 8.257 1.00 0.00 H new ATOM 0 HG11 VAL A 8 7.230 -3.179 8.972 1.00 0.00 H new ATOM 0 HG12 VAL A 8 7.198 -1.668 8.033 1.00 0.00 H new ATOM 0 HG13 VAL A 8 6.704 -3.199 7.273 1.00 0.00 H new ATOM 0 HG21 VAL A 8 8.928 -4.930 8.464 1.00 0.00 H new ATOM 0 HG22 VAL A 8 8.404 -4.947 6.763 1.00 0.00 H new ATOM 0 HG23 VAL A 8 10.116 -4.671 7.164 1.00 0.00 H new ATOM 125 N TYR A 9 7.445 -0.590 5.755 1.00 0.00 N ATOM 126 CA TYR A 9 7.015 0.838 5.750 1.00 0.00 C ATOM 127 C TYR A 9 5.590 0.976 6.279 1.00 0.00 C ATOM 128 O TYR A 9 4.677 0.317 5.823 1.00 0.00 O ATOM 129 CB TYR A 9 7.055 1.384 4.324 1.00 0.00 C ATOM 130 CG TYR A 9 8.443 1.873 4.008 1.00 0.00 C ATOM 131 CD1 TYR A 9 9.504 0.966 3.929 1.00 0.00 C ATOM 132 CD2 TYR A 9 8.668 3.237 3.799 1.00 0.00 C ATOM 133 CE1 TYR A 9 10.794 1.424 3.639 1.00 0.00 C ATOM 134 CE2 TYR A 9 9.955 3.696 3.513 1.00 0.00 C ATOM 135 CZ TYR A 9 11.019 2.790 3.432 1.00 0.00 C ATOM 136 OH TYR A 9 12.292 3.243 3.159 1.00 0.00 O ATOM 0 H TYR A 9 6.753 -1.258 5.417 1.00 0.00 H new ATOM 0 HA TYR A 9 7.695 1.398 6.391 1.00 0.00 H new ATOM 0 HB2 TYR A 9 6.763 0.606 3.618 1.00 0.00 H new ATOM 0 HB3 TYR A 9 6.338 2.198 4.216 1.00 0.00 H new ATOM 0 HD1 TYR A 9 9.328 -0.087 4.092 1.00 0.00 H new ATOM 0 HD2 TYR A 9 7.846 3.935 3.859 1.00 0.00 H new ATOM 0 HE1 TYR A 9 11.615 0.725 3.575 1.00 0.00 H new ATOM 0 HE2 TYR A 9 10.130 4.750 3.354 1.00 0.00 H new ATOM 0 HH TYR A 9 12.249 4.171 2.847 1.00 0.00 H new ATOM 146 N THR A 10 5.391 1.858 7.214 1.00 0.00 N ATOM 147 CA THR A 10 4.025 2.083 7.754 1.00 0.00 C ATOM 148 C THR A 10 3.440 3.298 7.038 1.00 0.00 C ATOM 149 O THR A 10 3.910 4.406 7.200 1.00 0.00 O ATOM 150 CB THR A 10 4.101 2.360 9.256 1.00 0.00 C ATOM 151 OG1 THR A 10 5.219 1.679 9.807 1.00 0.00 O ATOM 152 CG2 THR A 10 2.818 1.872 9.931 1.00 0.00 C ATOM 0 H THR A 10 6.121 2.437 7.630 1.00 0.00 H new ATOM 0 HA THR A 10 3.401 1.204 7.594 1.00 0.00 H new ATOM 0 HB THR A 10 4.212 3.431 9.423 1.00 0.00 H new ATOM 0 HG1 THR A 10 5.269 1.858 10.769 1.00 0.00 H new ATOM 0 HG21 THR A 10 2.872 2.069 11.002 1.00 0.00 H new ATOM 0 HG22 THR A 10 1.962 2.398 9.508 1.00 0.00 H new ATOM 0 HG23 THR A 10 2.704 0.801 9.765 1.00 0.00 H new ATOM 160 N GLY A 11 2.440 3.105 6.228 1.00 0.00 N ATOM 161 CA GLY A 11 1.870 4.265 5.492 1.00 0.00 C ATOM 162 C GLY A 11 0.447 4.552 5.962 1.00 0.00 C ATOM 163 O GLY A 11 -0.273 3.672 6.386 1.00 0.00 O ATOM 0 H GLY A 11 1.996 2.205 6.044 1.00 0.00 H new ATOM 0 HA2 GLY A 11 2.495 5.144 5.648 1.00 0.00 H new ATOM 0 HA3 GLY A 11 1.871 4.060 4.422 1.00 0.00 H new ATOM 167 N LYS A 12 0.036 5.784 5.863 1.00 0.00 N ATOM 168 CA LYS A 12 -1.343 6.146 6.274 1.00 0.00 C ATOM 169 C LYS A 12 -2.252 5.986 5.059 1.00 0.00 C ATOM 170 O LYS A 12 -1.793 5.942 3.935 1.00 0.00 O ATOM 171 CB LYS A 12 -1.384 7.606 6.743 1.00 0.00 C ATOM 172 CG LYS A 12 -0.028 8.006 7.334 1.00 0.00 C ATOM 173 CD LYS A 12 -0.110 9.434 7.874 1.00 0.00 C ATOM 174 CE LYS A 12 0.173 10.423 6.741 1.00 0.00 C ATOM 175 NZ LYS A 12 1.637 10.687 6.666 1.00 0.00 N ATOM 0 H LYS A 12 0.601 6.558 5.513 1.00 0.00 H new ATOM 0 HA LYS A 12 -1.670 5.504 7.092 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -1.632 8.259 5.906 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -2.167 7.735 7.490 1.00 0.00 H new ATOM 0 HG2 LYS A 12 0.250 7.319 8.133 1.00 0.00 H new ATOM 0 HG3 LYS A 12 0.748 7.938 6.571 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -1.098 9.619 8.295 1.00 0.00 H new ATOM 0 HD3 LYS A 12 0.611 9.572 8.680 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -0.183 10.019 5.794 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -0.367 11.354 6.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 1.839 11.292 5.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 1.948 11.167 7.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 2.148 9.786 6.567 1.00 0.00 H new ATOM 189 N VAL A 13 -3.532 5.908 5.262 1.00 0.00 N ATOM 190 CA VAL A 13 -4.442 5.760 4.101 1.00 0.00 C ATOM 191 C VAL A 13 -4.802 7.154 3.597 1.00 0.00 C ATOM 192 O VAL A 13 -5.668 7.817 4.132 1.00 0.00 O ATOM 193 CB VAL A 13 -5.711 5.028 4.535 1.00 0.00 C ATOM 194 CG1 VAL A 13 -6.628 4.841 3.329 1.00 0.00 C ATOM 195 CG2 VAL A 13 -5.343 3.663 5.117 1.00 0.00 C ATOM 0 H VAL A 13 -3.985 5.940 6.175 1.00 0.00 H new ATOM 0 HA VAL A 13 -3.957 5.187 3.311 1.00 0.00 H new ATOM 0 HB VAL A 13 -6.227 5.616 5.295 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -7.534 4.319 3.638 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -6.893 5.816 2.919 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -6.113 4.255 2.568 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -6.250 3.143 5.426 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -4.826 3.073 4.361 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -4.691 3.799 5.980 1.00 0.00 H new ATOM 205 N THR A 14 -4.123 7.612 2.585 1.00 0.00 N ATOM 206 CA THR A 14 -4.401 8.977 2.061 1.00 0.00 C ATOM 207 C THR A 14 -5.212 8.897 0.767 1.00 0.00 C ATOM 208 O THR A 14 -5.611 9.905 0.221 1.00 0.00 O ATOM 209 CB THR A 14 -3.075 9.691 1.789 1.00 0.00 C ATOM 210 OG1 THR A 14 -2.625 9.366 0.482 1.00 0.00 O ATOM 211 CG2 THR A 14 -2.031 9.247 2.816 1.00 0.00 C ATOM 0 H THR A 14 -3.387 7.101 2.098 1.00 0.00 H new ATOM 0 HA THR A 14 -4.977 9.531 2.802 1.00 0.00 H new ATOM 0 HB THR A 14 -3.220 10.768 1.867 1.00 0.00 H new ATOM 0 HG1 THR A 14 -1.777 9.824 0.305 1.00 0.00 H new ATOM 0 HG21 THR A 14 -1.088 9.757 2.620 1.00 0.00 H new ATOM 0 HG22 THR A 14 -2.377 9.498 3.819 1.00 0.00 H new ATOM 0 HG23 THR A 14 -1.883 8.170 2.742 1.00 0.00 H new ATOM 219 N ARG A 15 -5.460 7.716 0.262 1.00 0.00 N ATOM 220 CA ARG A 15 -6.244 7.615 -1.004 1.00 0.00 C ATOM 221 C ARG A 15 -6.770 6.188 -1.200 1.00 0.00 C ATOM 222 O ARG A 15 -6.195 5.228 -0.728 1.00 0.00 O ATOM 223 CB ARG A 15 -5.345 7.989 -2.186 1.00 0.00 C ATOM 224 CG ARG A 15 -5.442 9.494 -2.448 1.00 0.00 C ATOM 225 CD ARG A 15 -4.081 10.145 -2.189 1.00 0.00 C ATOM 226 NE ARG A 15 -3.404 10.411 -3.489 1.00 0.00 N ATOM 227 CZ ARG A 15 -2.355 9.716 -3.833 1.00 0.00 C ATOM 228 NH1 ARG A 15 -1.472 9.376 -2.934 1.00 0.00 N ATOM 229 NH2 ARG A 15 -2.188 9.359 -5.076 1.00 0.00 N ATOM 0 H ARG A 15 -5.158 6.829 0.665 1.00 0.00 H new ATOM 0 HA ARG A 15 -7.092 8.297 -0.947 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -4.312 7.713 -1.973 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -5.646 7.435 -3.075 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -5.754 9.676 -3.476 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -6.199 9.939 -1.802 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -4.210 11.076 -1.637 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -3.464 9.491 -1.572 1.00 0.00 H new ATOM 0 HE ARG A 15 -3.761 11.137 -4.110 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -1.602 9.654 -1.961 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -0.652 8.833 -3.204 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -2.878 9.623 -5.780 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -1.368 8.816 -5.345 1.00 0.00 H new ATOM 243 N ILE A 16 -7.854 6.052 -1.917 1.00 0.00 N ATOM 244 CA ILE A 16 -8.431 4.702 -2.185 1.00 0.00 C ATOM 245 C ILE A 16 -8.984 4.704 -3.611 1.00 0.00 C ATOM 246 O ILE A 16 -9.299 5.744 -4.152 1.00 0.00 O ATOM 247 CB ILE A 16 -9.554 4.399 -1.189 1.00 0.00 C ATOM 248 CG1 ILE A 16 -9.019 4.558 0.236 1.00 0.00 C ATOM 249 CG2 ILE A 16 -10.042 2.960 -1.395 1.00 0.00 C ATOM 250 CD1 ILE A 16 -10.073 4.081 1.237 1.00 0.00 C ATOM 0 H ILE A 16 -8.370 6.827 -2.333 1.00 0.00 H new ATOM 0 HA ILE A 16 -7.664 3.935 -2.074 1.00 0.00 H new ATOM 0 HB ILE A 16 -10.383 5.089 -1.348 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -8.101 3.982 0.357 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -8.768 5.601 0.427 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -10.842 2.742 -0.687 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -10.417 2.845 -2.412 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -9.215 2.269 -1.233 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -9.690 4.195 2.251 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -10.979 4.676 1.122 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -10.302 3.032 1.052 1.00 0.00 H new ATOM 262 N VAL A 17 -9.088 3.567 -4.238 1.00 0.00 N ATOM 263 CA VAL A 17 -9.603 3.558 -5.637 1.00 0.00 C ATOM 264 C VAL A 17 -10.626 2.424 -5.815 1.00 0.00 C ATOM 265 O VAL A 17 -10.601 1.433 -5.116 1.00 0.00 O ATOM 266 CB VAL A 17 -8.419 3.384 -6.617 1.00 0.00 C ATOM 267 CG1 VAL A 17 -7.113 3.814 -5.952 1.00 0.00 C ATOM 268 CG2 VAL A 17 -8.274 1.925 -7.021 1.00 0.00 C ATOM 0 H VAL A 17 -8.843 2.656 -3.851 1.00 0.00 H new ATOM 0 HA VAL A 17 -10.102 4.504 -5.849 1.00 0.00 H new ATOM 0 HB VAL A 17 -8.621 4.000 -7.493 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -6.288 3.686 -6.653 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -7.181 4.862 -5.659 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -6.936 3.201 -5.068 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -7.436 1.820 -7.711 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -8.092 1.318 -6.134 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -9.190 1.590 -7.508 1.00 0.00 H new ATOM 278 N ASP A 18 -11.520 2.553 -6.754 1.00 0.00 N ATOM 279 CA ASP A 18 -12.523 1.472 -6.970 1.00 0.00 C ATOM 280 C ASP A 18 -11.797 0.171 -7.329 1.00 0.00 C ATOM 281 O ASP A 18 -12.162 -0.899 -6.884 1.00 0.00 O ATOM 282 CB ASP A 18 -13.459 1.869 -8.112 1.00 0.00 C ATOM 283 CG ASP A 18 -14.813 1.185 -7.922 1.00 0.00 C ATOM 284 OD1 ASP A 18 -14.875 0.240 -7.153 1.00 0.00 O ATOM 285 OD2 ASP A 18 -15.766 1.617 -8.549 1.00 0.00 O ATOM 0 H ASP A 18 -11.601 3.355 -7.379 1.00 0.00 H new ATOM 0 HA ASP A 18 -13.105 1.324 -6.060 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -13.586 2.951 -8.133 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -13.025 1.581 -9.069 1.00 0.00 H new ATOM 290 N PHE A 19 -10.774 0.258 -8.136 1.00 0.00 N ATOM 291 CA PHE A 19 -10.020 -0.967 -8.536 1.00 0.00 C ATOM 292 C PHE A 19 -8.873 -1.230 -7.553 1.00 0.00 C ATOM 293 O PHE A 19 -7.903 -1.882 -7.890 1.00 0.00 O ATOM 294 CB PHE A 19 -9.430 -0.755 -9.934 1.00 0.00 C ATOM 295 CG PHE A 19 -8.784 0.608 -9.986 1.00 0.00 C ATOM 296 CD1 PHE A 19 -7.497 0.795 -9.463 1.00 0.00 C ATOM 297 CD2 PHE A 19 -9.479 1.691 -10.540 1.00 0.00 C ATOM 298 CE1 PHE A 19 -6.908 2.066 -9.493 1.00 0.00 C ATOM 299 CE2 PHE A 19 -8.889 2.960 -10.567 1.00 0.00 C ATOM 300 CZ PHE A 19 -7.605 3.146 -10.041 1.00 0.00 C ATOM 0 H PHE A 19 -10.426 1.129 -8.538 1.00 0.00 H new ATOM 0 HA PHE A 19 -10.700 -1.819 -8.532 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -8.696 -1.530 -10.156 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -10.212 -0.831 -10.690 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -6.960 -0.040 -9.037 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -10.469 1.547 -10.946 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -5.915 2.211 -9.093 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -9.424 3.795 -10.994 1.00 0.00 H new ATOM 0 HZ PHE A 19 -7.152 4.126 -10.059 1.00 0.00 H new ATOM 310 N GLY A 20 -8.958 -0.732 -6.346 1.00 0.00 N ATOM 311 CA GLY A 20 -7.847 -0.971 -5.377 1.00 0.00 C ATOM 312 C GLY A 20 -7.822 0.115 -4.290 1.00 0.00 C ATOM 313 O GLY A 20 -8.834 0.664 -3.915 1.00 0.00 O ATOM 0 H GLY A 20 -9.738 -0.177 -5.993 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -7.967 -1.951 -4.915 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -6.894 -0.983 -5.906 1.00 0.00 H new ATOM 317 N ALA A 21 -6.658 0.422 -3.777 1.00 0.00 N ATOM 318 CA ALA A 21 -6.551 1.464 -2.719 1.00 0.00 C ATOM 319 C ALA A 21 -5.157 2.082 -2.770 1.00 0.00 C ATOM 320 O ALA A 21 -4.194 1.425 -3.098 1.00 0.00 O ATOM 321 CB ALA A 21 -6.755 0.832 -1.341 1.00 0.00 C ATOM 0 H ALA A 21 -5.774 -0.008 -4.049 1.00 0.00 H new ATOM 0 HA ALA A 21 -7.313 2.225 -2.888 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -6.675 1.601 -0.573 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -7.743 0.373 -1.294 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -5.993 0.071 -1.173 1.00 0.00 H new ATOM 327 N PHE A 22 -5.045 3.342 -2.460 1.00 0.00 N ATOM 328 CA PHE A 22 -3.721 4.017 -2.485 1.00 0.00 C ATOM 329 C PHE A 22 -3.281 4.317 -1.046 1.00 0.00 C ATOM 330 O PHE A 22 -4.094 4.430 -0.151 1.00 0.00 O ATOM 331 CB PHE A 22 -3.853 5.332 -3.258 1.00 0.00 C ATOM 332 CG PHE A 22 -3.975 5.062 -4.744 1.00 0.00 C ATOM 333 CD1 PHE A 22 -4.037 3.748 -5.226 1.00 0.00 C ATOM 334 CD2 PHE A 22 -4.018 6.136 -5.638 1.00 0.00 C ATOM 335 CE1 PHE A 22 -4.142 3.510 -6.599 1.00 0.00 C ATOM 336 CE2 PHE A 22 -4.121 5.897 -7.014 1.00 0.00 C ATOM 337 CZ PHE A 22 -4.183 4.583 -7.494 1.00 0.00 C ATOM 0 H PHE A 22 -5.825 3.940 -2.187 1.00 0.00 H new ATOM 0 HA PHE A 22 -2.983 3.375 -2.966 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -4.728 5.880 -2.909 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -2.985 5.962 -3.067 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -4.004 2.918 -4.536 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -3.972 7.149 -5.268 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -4.191 2.497 -6.969 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -4.153 6.726 -7.705 1.00 0.00 H new ATOM 0 HZ PHE A 22 -4.262 4.399 -8.555 1.00 0.00 H new ATOM 347 N VAL A 23 -2.003 4.452 -0.813 1.00 0.00 N ATOM 348 CA VAL A 23 -1.525 4.749 0.570 1.00 0.00 C ATOM 349 C VAL A 23 -0.313 5.684 0.493 1.00 0.00 C ATOM 350 O VAL A 23 0.238 5.912 -0.566 1.00 0.00 O ATOM 351 CB VAL A 23 -1.147 3.438 1.274 1.00 0.00 C ATOM 352 CG1 VAL A 23 -0.204 3.719 2.447 1.00 0.00 C ATOM 353 CG2 VAL A 23 -2.417 2.775 1.804 1.00 0.00 C ATOM 0 H VAL A 23 -1.270 4.370 -1.518 1.00 0.00 H new ATOM 0 HA VAL A 23 -2.315 5.237 1.141 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.645 2.782 0.563 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.056 2.781 2.937 1.00 0.00 H new ATOM 0 HG12 VAL A 23 0.702 4.199 2.078 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -0.698 4.377 3.162 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -2.158 1.843 2.306 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -2.909 3.443 2.511 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -3.092 2.565 0.974 1.00 0.00 H new ATOM 363 N ALA A 24 0.099 6.242 1.602 1.00 0.00 N ATOM 364 CA ALA A 24 1.266 7.170 1.566 1.00 0.00 C ATOM 365 C ALA A 24 2.199 6.917 2.759 1.00 0.00 C ATOM 366 O ALA A 24 1.774 6.497 3.814 1.00 0.00 O ATOM 367 CB ALA A 24 0.756 8.611 1.614 1.00 0.00 C ATOM 0 H ALA A 24 -0.318 6.097 2.522 1.00 0.00 H new ATOM 0 HA ALA A 24 1.827 6.999 0.647 1.00 0.00 H new ATOM 0 HB1 ALA A 24 1.602 9.298 1.588 1.00 0.00 H new ATOM 0 HB2 ALA A 24 0.111 8.798 0.755 1.00 0.00 H new ATOM 0 HB3 ALA A 24 0.191 8.766 2.533 1.00 0.00 H new ATOM 373 N ILE A 25 3.474 7.181 2.597 1.00 0.00 N ATOM 374 CA ILE A 25 4.442 6.976 3.714 1.00 0.00 C ATOM 375 C ILE A 25 5.145 8.302 4.012 1.00 0.00 C ATOM 376 O ILE A 25 5.930 8.787 3.223 1.00 0.00 O ATOM 377 CB ILE A 25 5.494 5.940 3.308 1.00 0.00 C ATOM 378 CG1 ILE A 25 5.763 6.051 1.807 1.00 0.00 C ATOM 379 CG2 ILE A 25 4.989 4.535 3.628 1.00 0.00 C ATOM 380 CD1 ILE A 25 6.966 5.180 1.441 1.00 0.00 C ATOM 0 H ILE A 25 3.885 7.532 1.732 1.00 0.00 H new ATOM 0 HA ILE A 25 3.906 6.624 4.595 1.00 0.00 H new ATOM 0 HB ILE A 25 6.414 6.127 3.862 1.00 0.00 H new ATOM 0 HG12 ILE A 25 4.885 5.733 1.244 1.00 0.00 H new ATOM 0 HG13 ILE A 25 5.956 7.089 1.537 1.00 0.00 H new ATOM 0 HG21 ILE A 25 5.742 3.803 3.337 1.00 0.00 H new ATOM 0 HG22 ILE A 25 4.797 4.452 4.698 1.00 0.00 H new ATOM 0 HG23 ILE A 25 4.067 4.346 3.078 1.00 0.00 H new ATOM 0 HD11 ILE A 25 7.159 5.258 0.371 1.00 0.00 H new ATOM 0 HD12 ILE A 25 7.842 5.519 1.994 1.00 0.00 H new ATOM 0 HD13 ILE A 25 6.755 4.142 1.697 1.00 0.00 H new ATOM 392 N GLY A 26 4.875 8.894 5.142 1.00 0.00 N ATOM 393 CA GLY A 26 5.536 10.187 5.474 1.00 0.00 C ATOM 394 C GLY A 26 4.826 11.330 4.745 1.00 0.00 C ATOM 395 O GLY A 26 3.940 11.964 5.284 1.00 0.00 O ATOM 0 H GLY A 26 4.228 8.541 5.847 1.00 0.00 H new ATOM 0 HA2 GLY A 26 5.507 10.356 6.550 1.00 0.00 H new ATOM 0 HA3 GLY A 26 6.586 10.155 5.184 1.00 0.00 H new ATOM 399 N GLY A 27 5.205 11.599 3.524 1.00 0.00 N ATOM 400 CA GLY A 27 4.547 12.704 2.769 1.00 0.00 C ATOM 401 C GLY A 27 5.154 12.810 1.367 1.00 0.00 C ATOM 402 O GLY A 27 4.462 13.056 0.399 1.00 0.00 O ATOM 0 H GLY A 27 5.939 11.103 3.019 1.00 0.00 H new ATOM 0 HA2 GLY A 27 3.475 12.520 2.698 1.00 0.00 H new ATOM 0 HA3 GLY A 27 4.674 13.646 3.302 1.00 0.00 H new ATOM 406 N GLY A 28 6.442 12.634 1.250 1.00 0.00 N ATOM 407 CA GLY A 28 7.088 12.732 -0.091 1.00 0.00 C ATOM 408 C GLY A 28 6.886 11.424 -0.858 1.00 0.00 C ATOM 409 O GLY A 28 6.538 11.423 -2.022 1.00 0.00 O ATOM 0 H GLY A 28 7.074 12.427 2.023 1.00 0.00 H new ATOM 0 HA2 GLY A 28 6.660 13.563 -0.651 1.00 0.00 H new ATOM 0 HA3 GLY A 28 8.152 12.938 0.022 1.00 0.00 H new ATOM 413 N LYS A 29 7.103 10.309 -0.217 1.00 0.00 N ATOM 414 CA LYS A 29 6.923 9.002 -0.911 1.00 0.00 C ATOM 415 C LYS A 29 5.561 8.418 -0.534 1.00 0.00 C ATOM 416 O LYS A 29 5.049 8.663 0.541 1.00 0.00 O ATOM 417 CB LYS A 29 8.032 8.044 -0.475 1.00 0.00 C ATOM 418 CG LYS A 29 9.375 8.544 -1.012 1.00 0.00 C ATOM 419 CD LYS A 29 10.089 9.352 0.073 1.00 0.00 C ATOM 420 CE LYS A 29 10.705 10.609 -0.546 1.00 0.00 C ATOM 421 NZ LYS A 29 12.013 10.893 0.109 1.00 0.00 N ATOM 0 H LYS A 29 7.397 10.246 0.758 1.00 0.00 H new ATOM 0 HA LYS A 29 6.971 9.145 -1.991 1.00 0.00 H new ATOM 0 HB2 LYS A 29 8.064 7.978 0.613 1.00 0.00 H new ATOM 0 HB3 LYS A 29 7.829 7.041 -0.849 1.00 0.00 H new ATOM 0 HG2 LYS A 29 9.993 7.700 -1.318 1.00 0.00 H new ATOM 0 HG3 LYS A 29 9.218 9.162 -1.896 1.00 0.00 H new ATOM 0 HD2 LYS A 29 9.385 9.628 0.858 1.00 0.00 H new ATOM 0 HD3 LYS A 29 10.865 8.746 0.540 1.00 0.00 H new ATOM 0 HE2 LYS A 29 10.845 10.469 -1.618 1.00 0.00 H new ATOM 0 HE3 LYS A 29 10.031 11.457 -0.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 12.433 11.747 -0.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 11.866 11.044 1.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 12.654 10.087 -0.032 1.00 0.00 H new ATOM 435 N GLU A 30 4.957 7.654 -1.405 1.00 0.00 N ATOM 436 CA GLU A 30 3.626 7.085 -1.064 1.00 0.00 C ATOM 437 C GLU A 30 3.576 5.584 -1.362 1.00 0.00 C ATOM 438 O GLU A 30 4.292 5.076 -2.202 1.00 0.00 O ATOM 439 CB GLU A 30 2.538 7.792 -1.877 1.00 0.00 C ATOM 440 CG GLU A 30 2.871 9.279 -2.000 1.00 0.00 C ATOM 441 CD GLU A 30 3.902 9.479 -3.112 1.00 0.00 C ATOM 442 OE1 GLU A 30 3.896 8.695 -4.047 1.00 0.00 O ATOM 443 OE2 GLU A 30 4.682 10.412 -3.010 1.00 0.00 O ATOM 0 H GLU A 30 5.323 7.404 -2.324 1.00 0.00 H new ATOM 0 HA GLU A 30 3.457 7.237 0.002 1.00 0.00 H new ATOM 0 HB2 GLU A 30 2.461 7.343 -2.867 1.00 0.00 H new ATOM 0 HB3 GLU A 30 1.569 7.665 -1.394 1.00 0.00 H new ATOM 0 HG2 GLU A 30 1.968 9.848 -2.220 1.00 0.00 H new ATOM 0 HG3 GLU A 30 3.262 9.655 -1.055 1.00 0.00 H new ATOM 450 N GLY A 31 2.712 4.879 -0.679 1.00 0.00 N ATOM 451 CA GLY A 31 2.572 3.413 -0.908 1.00 0.00 C ATOM 452 C GLY A 31 1.275 3.168 -1.682 1.00 0.00 C ATOM 453 O GLY A 31 0.609 4.098 -2.089 1.00 0.00 O ATOM 0 H GLY A 31 2.092 5.262 0.035 1.00 0.00 H new ATOM 0 HA2 GLY A 31 3.426 3.033 -1.469 1.00 0.00 H new ATOM 0 HA3 GLY A 31 2.553 2.881 0.043 1.00 0.00 H new ATOM 457 N LEU A 32 0.895 1.935 -1.887 1.00 0.00 N ATOM 458 CA LEU A 32 -0.370 1.682 -2.633 1.00 0.00 C ATOM 459 C LEU A 32 -1.021 0.377 -2.182 1.00 0.00 C ATOM 460 O LEU A 32 -0.441 -0.686 -2.286 1.00 0.00 O ATOM 461 CB LEU A 32 -0.096 1.577 -4.126 1.00 0.00 C ATOM 462 CG LEU A 32 -1.411 1.817 -4.859 1.00 0.00 C ATOM 463 CD1 LEU A 32 -1.333 3.136 -5.603 1.00 0.00 C ATOM 464 CD2 LEU A 32 -1.686 0.687 -5.849 1.00 0.00 C ATOM 0 H LEU A 32 1.398 1.104 -1.575 1.00 0.00 H new ATOM 0 HA LEU A 32 -1.038 2.518 -2.428 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.650 2.311 -4.430 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.305 0.594 -4.373 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.222 1.847 -4.132 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.271 3.313 -6.129 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -1.157 3.944 -4.893 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.515 3.100 -6.322 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.629 0.875 -6.363 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.878 0.638 -6.579 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.748 -0.260 -5.312 1.00 0.00 H new ATOM 476 N VAL A 33 -2.243 0.439 -1.733 1.00 0.00 N ATOM 477 CA VAL A 33 -2.949 -0.802 -1.336 1.00 0.00 C ATOM 478 C VAL A 33 -3.867 -1.206 -2.491 1.00 0.00 C ATOM 479 O VAL A 33 -5.077 -1.192 -2.380 1.00 0.00 O ATOM 480 CB VAL A 33 -3.779 -0.549 -0.079 1.00 0.00 C ATOM 481 CG1 VAL A 33 -4.292 -1.879 0.477 1.00 0.00 C ATOM 482 CG2 VAL A 33 -2.909 0.142 0.970 1.00 0.00 C ATOM 0 H VAL A 33 -2.781 1.299 -1.625 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.233 -1.595 -1.121 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.628 0.088 -0.327 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -4.884 -1.695 1.374 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -4.912 -2.371 -0.272 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -3.446 -2.520 0.726 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -3.498 0.324 1.869 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -2.060 -0.496 1.216 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.547 1.091 0.575 1.00 0.00 H new ATOM 492 N HIS A 34 -3.303 -1.544 -3.617 1.00 0.00 N ATOM 493 CA HIS A 34 -4.154 -1.932 -4.769 1.00 0.00 C ATOM 494 C HIS A 34 -5.176 -2.973 -4.298 1.00 0.00 C ATOM 495 O HIS A 34 -5.023 -3.577 -3.255 1.00 0.00 O ATOM 496 CB HIS A 34 -3.285 -2.524 -5.880 1.00 0.00 C ATOM 497 CG HIS A 34 -3.994 -2.391 -7.199 1.00 0.00 C ATOM 498 ND1 HIS A 34 -4.138 -3.458 -8.074 1.00 0.00 N ATOM 499 CD2 HIS A 34 -4.603 -1.322 -7.810 1.00 0.00 C ATOM 500 CE1 HIS A 34 -4.807 -3.010 -9.153 1.00 0.00 C ATOM 501 NE2 HIS A 34 -5.115 -1.715 -9.043 1.00 0.00 N ATOM 0 H HIS A 34 -2.297 -1.568 -3.786 1.00 0.00 H new ATOM 0 HA HIS A 34 -4.672 -1.055 -5.158 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -2.325 -2.009 -5.918 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -3.076 -3.573 -5.672 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -3.799 -4.409 -7.927 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -4.674 -0.327 -7.396 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -5.063 -3.623 -10.004 1.00 0.00 H new ATOM 509 N ILE A 35 -6.220 -3.175 -5.047 1.00 0.00 N ATOM 510 CA ILE A 35 -7.264 -4.160 -4.645 1.00 0.00 C ATOM 511 C ILE A 35 -6.625 -5.519 -4.342 1.00 0.00 C ATOM 512 O ILE A 35 -6.854 -6.104 -3.303 1.00 0.00 O ATOM 513 CB ILE A 35 -8.275 -4.313 -5.785 1.00 0.00 C ATOM 514 CG1 ILE A 35 -9.212 -5.485 -5.484 1.00 0.00 C ATOM 515 CG2 ILE A 35 -7.532 -4.580 -7.096 1.00 0.00 C ATOM 516 CD1 ILE A 35 -10.650 -4.975 -5.367 1.00 0.00 C ATOM 0 H ILE A 35 -6.399 -2.696 -5.930 1.00 0.00 H new ATOM 0 HA ILE A 35 -7.767 -3.801 -3.747 1.00 0.00 H new ATOM 0 HB ILE A 35 -8.857 -3.396 -5.877 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -9.143 -6.231 -6.275 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -8.912 -5.975 -4.557 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -8.252 -4.689 -7.907 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -6.865 -3.746 -7.313 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -6.949 -5.496 -7.004 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -11.316 -5.811 -5.153 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -10.713 -4.245 -4.560 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -10.947 -4.506 -6.305 1.00 0.00 H new ATOM 528 N SER A 36 -5.836 -6.036 -5.245 1.00 0.00 N ATOM 529 CA SER A 36 -5.198 -7.366 -5.007 1.00 0.00 C ATOM 530 C SER A 36 -3.951 -7.221 -4.126 1.00 0.00 C ATOM 531 O SER A 36 -3.000 -7.964 -4.269 1.00 0.00 O ATOM 532 CB SER A 36 -4.797 -7.977 -6.349 1.00 0.00 C ATOM 533 OG SER A 36 -5.949 -8.520 -6.980 1.00 0.00 O ATOM 0 H SER A 36 -5.605 -5.597 -6.136 1.00 0.00 H new ATOM 0 HA SER A 36 -5.913 -8.011 -4.496 1.00 0.00 H new ATOM 0 HB2 SER A 36 -4.343 -7.218 -6.986 1.00 0.00 H new ATOM 0 HB3 SER A 36 -4.049 -8.756 -6.198 1.00 0.00 H new ATOM 0 HG SER A 36 -5.696 -8.911 -7.842 1.00 0.00 H new ATOM 539 N GLN A 37 -3.933 -6.282 -3.218 1.00 0.00 N ATOM 540 CA GLN A 37 -2.731 -6.122 -2.351 1.00 0.00 C ATOM 541 C GLN A 37 -3.160 -5.853 -0.907 1.00 0.00 C ATOM 542 O GLN A 37 -2.669 -4.944 -0.268 1.00 0.00 O ATOM 543 CB GLN A 37 -1.889 -4.944 -2.850 1.00 0.00 C ATOM 544 CG GLN A 37 -1.676 -5.055 -4.361 1.00 0.00 C ATOM 545 CD GLN A 37 -0.444 -5.917 -4.651 1.00 0.00 C ATOM 546 OE1 GLN A 37 0.048 -6.681 -3.712 1.00 0.00 O flip ATOM 547 NE2 GLN A 37 0.081 -5.894 -5.747 1.00 0.00 N flip ATOM 0 H GLN A 37 -4.692 -5.624 -3.040 1.00 0.00 H new ATOM 0 HA GLN A 37 -2.143 -7.039 -2.391 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -2.387 -4.004 -2.613 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -0.926 -4.932 -2.339 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -2.557 -5.494 -4.830 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -1.546 -4.063 -4.793 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -0.300 -5.299 -6.483 1.00 0.00 H new ATOM 0 HE22 GLN A 37 0.903 -6.470 -5.931 1.00 0.00 H new ATOM 556 N ILE A 38 -4.069 -6.628 -0.382 1.00 0.00 N ATOM 557 CA ILE A 38 -4.506 -6.392 1.023 1.00 0.00 C ATOM 558 C ILE A 38 -4.211 -7.627 1.878 1.00 0.00 C ATOM 559 O ILE A 38 -3.103 -7.835 2.331 1.00 0.00 O ATOM 560 CB ILE A 38 -6.007 -6.092 1.071 1.00 0.00 C ATOM 561 CG1 ILE A 38 -6.284 -4.706 0.479 1.00 0.00 C ATOM 562 CG2 ILE A 38 -6.467 -6.116 2.530 1.00 0.00 C ATOM 563 CD1 ILE A 38 -5.797 -4.657 -0.969 1.00 0.00 C ATOM 0 H ILE A 38 -4.524 -7.406 -0.859 1.00 0.00 H new ATOM 0 HA ILE A 38 -3.956 -5.536 1.416 1.00 0.00 H new ATOM 0 HB ILE A 38 -6.546 -6.841 0.491 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -7.351 -4.489 0.521 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -5.779 -3.941 1.069 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -7.535 -5.904 2.578 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -6.273 -7.100 2.957 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -5.921 -5.361 3.096 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -5.996 -3.670 -1.387 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -4.726 -4.855 -0.999 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -6.322 -5.411 -1.555 1.00 0.00 H new ATOM 575 N ALA A 39 -5.201 -8.440 2.111 1.00 0.00 N ATOM 576 CA ALA A 39 -5.001 -9.652 2.945 1.00 0.00 C ATOM 577 C ALA A 39 -4.779 -10.858 2.030 1.00 0.00 C ATOM 578 O ALA A 39 -4.124 -10.758 1.012 1.00 0.00 O ATOM 579 CB ALA A 39 -6.247 -9.868 3.807 1.00 0.00 C ATOM 0 H ALA A 39 -6.149 -8.314 1.755 1.00 0.00 H new ATOM 0 HA ALA A 39 -4.131 -9.530 3.590 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -6.113 -10.756 4.425 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -6.401 -9.000 4.448 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -7.116 -10.002 3.163 1.00 0.00 H new ATOM 585 N ASP A 40 -5.318 -11.996 2.375 1.00 0.00 N ATOM 586 CA ASP A 40 -5.131 -13.194 1.511 1.00 0.00 C ATOM 587 C ASP A 40 -5.340 -12.792 0.051 1.00 0.00 C ATOM 588 O ASP A 40 -4.475 -12.971 -0.783 1.00 0.00 O ATOM 589 CB ASP A 40 -6.153 -14.265 1.895 1.00 0.00 C ATOM 590 CG ASP A 40 -5.426 -15.485 2.462 1.00 0.00 C ATOM 591 OD1 ASP A 40 -4.556 -15.296 3.297 1.00 0.00 O ATOM 592 OD2 ASP A 40 -5.752 -16.587 2.053 1.00 0.00 O ATOM 0 H ASP A 40 -5.877 -12.147 3.215 1.00 0.00 H new ATOM 0 HA ASP A 40 -4.125 -13.591 1.645 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -6.851 -13.869 2.633 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -6.740 -14.552 1.023 1.00 0.00 H new ATOM 597 N LYS A 41 -6.485 -12.249 -0.260 1.00 0.00 N ATOM 598 CA LYS A 41 -6.763 -11.831 -1.662 1.00 0.00 C ATOM 599 C LYS A 41 -8.223 -11.386 -1.773 1.00 0.00 C ATOM 600 O LYS A 41 -8.568 -10.542 -2.576 1.00 0.00 O ATOM 601 CB LYS A 41 -6.523 -13.017 -2.596 1.00 0.00 C ATOM 602 CG LYS A 41 -6.942 -12.648 -4.020 1.00 0.00 C ATOM 603 CD LYS A 41 -7.435 -13.900 -4.750 1.00 0.00 C ATOM 604 CE LYS A 41 -8.956 -14.000 -4.623 1.00 0.00 C ATOM 605 NZ LYS A 41 -9.574 -13.921 -5.977 1.00 0.00 N ATOM 0 H LYS A 41 -7.243 -12.076 0.400 1.00 0.00 H new ATOM 0 HA LYS A 41 -6.106 -11.007 -1.940 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -5.470 -13.298 -2.578 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -7.090 -13.882 -2.253 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -7.730 -11.895 -3.995 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -6.100 -12.210 -4.556 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -7.149 -13.857 -5.801 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -6.965 -14.788 -4.328 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -9.230 -14.938 -4.140 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -9.333 -13.195 -3.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -10.608 -13.989 -5.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -9.322 -13.015 -6.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -9.223 -14.704 -6.565 1.00 0.00 H new ATOM 619 N ARG A 42 -9.083 -11.957 -0.977 1.00 0.00 N ATOM 620 CA ARG A 42 -10.523 -11.582 -1.036 1.00 0.00 C ATOM 621 C ARG A 42 -10.669 -10.056 -1.029 1.00 0.00 C ATOM 622 O ARG A 42 -10.598 -9.418 -2.060 1.00 0.00 O ATOM 623 CB ARG A 42 -11.253 -12.179 0.170 1.00 0.00 C ATOM 624 CG ARG A 42 -11.475 -13.676 -0.060 1.00 0.00 C ATOM 625 CD ARG A 42 -11.379 -14.421 1.272 1.00 0.00 C ATOM 626 NE ARG A 42 -10.084 -14.096 1.931 1.00 0.00 N ATOM 627 CZ ARG A 42 -10.049 -13.837 3.209 1.00 0.00 C ATOM 628 NH1 ARG A 42 -10.509 -12.700 3.657 1.00 0.00 N ATOM 629 NH2 ARG A 42 -9.558 -14.717 4.039 1.00 0.00 N ATOM 0 H ARG A 42 -8.850 -12.670 -0.286 1.00 0.00 H new ATOM 0 HA ARG A 42 -10.959 -11.973 -1.955 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -10.669 -12.022 1.077 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -12.209 -11.676 0.316 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -12.453 -13.843 -0.512 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -10.731 -14.061 -0.758 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -12.209 -14.139 1.919 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -11.455 -15.496 1.106 1.00 0.00 H new ATOM 0 HE ARG A 42 -9.224 -14.076 1.383 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -10.895 -12.015 3.008 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -10.482 -12.497 4.656 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -9.202 -15.606 3.688 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -9.530 -14.515 5.038 1.00 0.00 H new ATOM 643 N VAL A 43 -10.889 -9.470 0.120 1.00 0.00 N ATOM 644 CA VAL A 43 -11.061 -7.988 0.187 1.00 0.00 C ATOM 645 C VAL A 43 -11.929 -7.533 -0.985 1.00 0.00 C ATOM 646 O VAL A 43 -11.594 -6.609 -1.701 1.00 0.00 O ATOM 647 CB VAL A 43 -9.702 -7.289 0.131 1.00 0.00 C ATOM 648 CG1 VAL A 43 -9.909 -5.775 0.148 1.00 0.00 C ATOM 649 CG2 VAL A 43 -8.869 -7.697 1.348 1.00 0.00 C ATOM 0 H VAL A 43 -10.957 -9.954 1.015 1.00 0.00 H new ATOM 0 HA VAL A 43 -11.544 -7.725 1.128 1.00 0.00 H new ATOM 0 HB VAL A 43 -9.182 -7.578 -0.782 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -8.941 -5.275 0.108 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -10.506 -5.480 -0.715 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -10.428 -5.489 1.063 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -7.900 -7.199 1.309 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -9.390 -7.406 2.260 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -8.723 -8.777 1.343 1.00 0.00 H new ATOM 659 N GLU A 44 -13.046 -8.184 -1.185 1.00 0.00 N ATOM 660 CA GLU A 44 -13.951 -7.806 -2.310 1.00 0.00 C ATOM 661 C GLU A 44 -14.031 -6.283 -2.411 1.00 0.00 C ATOM 662 O GLU A 44 -14.208 -5.729 -3.477 1.00 0.00 O ATOM 663 CB GLU A 44 -15.351 -8.370 -2.051 1.00 0.00 C ATOM 664 CG GLU A 44 -15.241 -9.799 -1.514 1.00 0.00 C ATOM 665 CD GLU A 44 -16.596 -10.496 -1.644 1.00 0.00 C ATOM 666 OE1 GLU A 44 -17.396 -10.368 -0.732 1.00 0.00 O ATOM 667 OE2 GLU A 44 -16.811 -11.146 -2.655 1.00 0.00 O ATOM 0 H GLU A 44 -13.371 -8.965 -0.614 1.00 0.00 H new ATOM 0 HA GLU A 44 -13.559 -8.214 -3.242 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -15.880 -7.742 -1.334 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -15.933 -8.361 -2.973 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -14.481 -10.350 -2.068 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -14.926 -9.784 -0.471 1.00 0.00 H new ATOM 674 N LYS A 45 -13.900 -5.603 -1.307 1.00 0.00 N ATOM 675 CA LYS A 45 -13.967 -4.115 -1.336 1.00 0.00 C ATOM 676 C LYS A 45 -12.668 -3.544 -0.757 1.00 0.00 C ATOM 677 O LYS A 45 -12.232 -3.931 0.308 1.00 0.00 O ATOM 678 CB LYS A 45 -15.159 -3.646 -0.498 1.00 0.00 C ATOM 679 CG LYS A 45 -16.440 -3.734 -1.333 1.00 0.00 C ATOM 680 CD LYS A 45 -17.593 -3.067 -0.580 1.00 0.00 C ATOM 681 CE LYS A 45 -18.864 -3.907 -0.736 1.00 0.00 C ATOM 682 NZ LYS A 45 -20.039 -3.006 -0.906 1.00 0.00 N ATOM 0 H LYS A 45 -13.749 -6.013 -0.385 1.00 0.00 H new ATOM 0 HA LYS A 45 -14.091 -3.768 -2.362 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -15.253 -4.262 0.396 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -15.000 -2.621 -0.164 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -16.292 -3.246 -2.297 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -16.681 -4.777 -1.537 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -17.340 -2.965 0.475 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -17.760 -2.062 -0.967 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -18.772 -4.568 -1.598 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -19.003 -4.542 0.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -20.902 -3.577 -1.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -20.130 -2.393 -0.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -19.906 -2.419 -1.754 1.00 0.00 H new ATOM 696 N VAL A 46 -12.047 -2.627 -1.449 1.00 0.00 N ATOM 697 CA VAL A 46 -10.774 -2.040 -0.924 1.00 0.00 C ATOM 698 C VAL A 46 -11.110 -1.008 0.148 1.00 0.00 C ATOM 699 O VAL A 46 -10.316 -0.719 1.018 1.00 0.00 O ATOM 700 CB VAL A 46 -9.957 -1.364 -2.038 1.00 0.00 C ATOM 701 CG1 VAL A 46 -8.593 -2.052 -2.148 1.00 0.00 C ATOM 702 CG2 VAL A 46 -10.683 -1.461 -3.384 1.00 0.00 C ATOM 0 H VAL A 46 -12.360 -2.260 -2.348 1.00 0.00 H new ATOM 0 HA VAL A 46 -10.172 -2.848 -0.508 1.00 0.00 H new ATOM 0 HB VAL A 46 -9.830 -0.311 -1.788 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -8.009 -1.577 -2.936 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -8.063 -1.963 -1.200 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -8.735 -3.106 -2.386 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -10.085 -0.976 -4.156 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -10.829 -2.509 -3.644 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -11.652 -0.967 -3.311 1.00 0.00 H new ATOM 712 N THR A 47 -12.289 -0.457 0.097 1.00 0.00 N ATOM 713 CA THR A 47 -12.686 0.548 1.121 1.00 0.00 C ATOM 714 C THR A 47 -13.044 -0.169 2.430 1.00 0.00 C ATOM 715 O THR A 47 -13.466 0.446 3.389 1.00 0.00 O ATOM 716 CB THR A 47 -13.899 1.336 0.618 1.00 0.00 C ATOM 717 OG1 THR A 47 -14.797 0.452 -0.038 1.00 0.00 O ATOM 718 CG2 THR A 47 -13.438 2.418 -0.359 1.00 0.00 C ATOM 0 H THR A 47 -12.996 -0.659 -0.610 1.00 0.00 H new ATOM 0 HA THR A 47 -11.858 1.233 1.299 1.00 0.00 H new ATOM 0 HB THR A 47 -14.404 1.805 1.463 1.00 0.00 H new ATOM 0 HG1 THR A 47 -14.921 -0.353 0.507 1.00 0.00 H new ATOM 0 HG21 THR A 47 -14.302 2.978 -0.716 1.00 0.00 H new ATOM 0 HG22 THR A 47 -12.750 3.096 0.147 1.00 0.00 H new ATOM 0 HG23 THR A 47 -12.932 1.953 -1.205 1.00 0.00 H new ATOM 726 N ASP A 48 -12.870 -1.465 2.480 1.00 0.00 N ATOM 727 CA ASP A 48 -13.189 -2.218 3.727 1.00 0.00 C ATOM 728 C ASP A 48 -11.892 -2.473 4.491 1.00 0.00 C ATOM 729 O ASP A 48 -11.847 -2.423 5.705 1.00 0.00 O ATOM 730 CB ASP A 48 -13.839 -3.558 3.368 1.00 0.00 C ATOM 731 CG ASP A 48 -15.068 -3.308 2.492 1.00 0.00 C ATOM 732 OD1 ASP A 48 -15.146 -2.240 1.907 1.00 0.00 O ATOM 733 OD2 ASP A 48 -15.910 -4.188 2.421 1.00 0.00 O ATOM 0 H ASP A 48 -12.520 -2.034 1.709 1.00 0.00 H new ATOM 0 HA ASP A 48 -13.878 -1.639 4.342 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -13.126 -4.191 2.841 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -14.127 -4.090 4.275 1.00 0.00 H new ATOM 738 N TYR A 49 -10.834 -2.741 3.781 1.00 0.00 N ATOM 739 CA TYR A 49 -9.529 -2.995 4.445 1.00 0.00 C ATOM 740 C TYR A 49 -8.782 -1.671 4.592 1.00 0.00 C ATOM 741 O TYR A 49 -8.047 -1.457 5.537 1.00 0.00 O ATOM 742 CB TYR A 49 -8.710 -3.951 3.589 1.00 0.00 C ATOM 743 CG TYR A 49 -9.322 -5.327 3.663 1.00 0.00 C ATOM 744 CD1 TYR A 49 -10.587 -5.556 3.111 1.00 0.00 C ATOM 745 CD2 TYR A 49 -8.633 -6.373 4.289 1.00 0.00 C ATOM 746 CE1 TYR A 49 -11.163 -6.826 3.185 1.00 0.00 C ATOM 747 CE2 TYR A 49 -9.210 -7.643 4.363 1.00 0.00 C ATOM 748 CZ TYR A 49 -10.477 -7.871 3.814 1.00 0.00 C ATOM 749 OH TYR A 49 -11.047 -9.126 3.888 1.00 0.00 O ATOM 0 H TYR A 49 -10.818 -2.795 2.763 1.00 0.00 H new ATOM 0 HA TYR A 49 -9.689 -3.437 5.429 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -8.687 -3.605 2.556 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -7.678 -3.979 3.939 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -11.119 -4.750 2.627 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -7.656 -6.198 4.714 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -12.139 -7.002 2.756 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -8.678 -8.450 4.844 1.00 0.00 H new ATOM 0 HH TYR A 49 -10.438 -9.735 4.356 1.00 0.00 H new ATOM 759 N LEU A 50 -8.969 -0.781 3.659 1.00 0.00 N ATOM 760 CA LEU A 50 -8.278 0.536 3.730 1.00 0.00 C ATOM 761 C LEU A 50 -9.243 1.581 4.288 1.00 0.00 C ATOM 762 O LEU A 50 -10.416 1.596 3.969 1.00 0.00 O ATOM 763 CB LEU A 50 -7.829 0.953 2.317 1.00 0.00 C ATOM 764 CG LEU A 50 -6.350 0.595 2.031 1.00 0.00 C ATOM 765 CD1 LEU A 50 -5.529 1.881 1.956 1.00 0.00 C ATOM 766 CD2 LEU A 50 -5.757 -0.314 3.120 1.00 0.00 C ATOM 0 H LEU A 50 -9.573 -0.909 2.847 1.00 0.00 H new ATOM 0 HA LEU A 50 -7.406 0.460 4.380 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -8.466 0.465 1.579 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -7.968 2.028 2.198 1.00 0.00 H new ATOM 0 HG LEU A 50 -6.314 0.055 1.085 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -4.486 1.636 1.755 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -5.914 2.512 1.155 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -5.600 2.414 2.904 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.718 -0.540 2.879 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -5.804 0.194 4.083 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -6.328 -1.241 3.171 1.00 0.00 H new ATOM 778 N GLN A 51 -8.754 2.454 5.122 1.00 0.00 N ATOM 779 CA GLN A 51 -9.634 3.501 5.711 1.00 0.00 C ATOM 780 C GLN A 51 -8.906 4.846 5.683 1.00 0.00 C ATOM 781 O GLN A 51 -7.923 5.043 6.366 1.00 0.00 O ATOM 782 CB GLN A 51 -9.968 3.131 7.157 1.00 0.00 C ATOM 783 CG GLN A 51 -11.167 2.179 7.178 1.00 0.00 C ATOM 784 CD GLN A 51 -11.658 2.007 8.615 1.00 0.00 C ATOM 785 OE1 GLN A 51 -11.126 2.609 9.527 1.00 0.00 O ATOM 786 NE2 GLN A 51 -12.657 1.204 8.861 1.00 0.00 N ATOM 0 H GLN A 51 -7.780 2.488 5.422 1.00 0.00 H new ATOM 0 HA GLN A 51 -10.556 3.572 5.134 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -9.107 2.659 7.631 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -10.194 4.030 7.730 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -11.969 2.573 6.554 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -10.884 1.212 6.761 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -13.105 0.698 8.097 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -12.990 1.082 9.817 1.00 0.00 H new ATOM 795 N MET A 52 -9.379 5.771 4.894 1.00 0.00 N ATOM 796 CA MET A 52 -8.717 7.100 4.814 1.00 0.00 C ATOM 797 C MET A 52 -8.550 7.692 6.216 1.00 0.00 C ATOM 798 O MET A 52 -9.439 8.333 6.741 1.00 0.00 O ATOM 799 CB MET A 52 -9.578 8.027 3.958 1.00 0.00 C ATOM 800 CG MET A 52 -10.973 8.152 4.575 1.00 0.00 C ATOM 801 SD MET A 52 -11.367 9.899 4.829 1.00 0.00 S ATOM 802 CE MET A 52 -11.632 9.812 6.616 1.00 0.00 C ATOM 0 H MET A 52 -10.200 5.661 4.299 1.00 0.00 H new ATOM 0 HA MET A 52 -7.730 6.991 4.365 1.00 0.00 H new ATOM 0 HB2 MET A 52 -9.112 9.010 3.887 1.00 0.00 H new ATOM 0 HB3 MET A 52 -9.652 7.636 2.943 1.00 0.00 H new ATOM 0 HG2 MET A 52 -11.714 7.693 3.921 1.00 0.00 H new ATOM 0 HG3 MET A 52 -11.011 7.618 5.524 1.00 0.00 H new ATOM 0 HE1 MET A 52 -12.505 10.407 6.884 1.00 0.00 H new ATOM 0 HE2 MET A 52 -11.796 8.775 6.909 1.00 0.00 H new ATOM 0 HE3 MET A 52 -10.755 10.201 7.133 1.00 0.00 H new ATOM 812 N GLY A 53 -7.411 7.492 6.825 1.00 0.00 N ATOM 813 CA GLY A 53 -7.191 8.056 8.188 1.00 0.00 C ATOM 814 C GLY A 53 -6.364 7.087 9.041 1.00 0.00 C ATOM 815 O GLY A 53 -5.519 7.496 9.812 1.00 0.00 O ATOM 0 H GLY A 53 -6.627 6.965 6.439 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -6.677 9.014 8.113 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -8.151 8.246 8.669 1.00 0.00 H new ATOM 819 N GLN A 54 -6.605 5.812 8.920 1.00 0.00 N ATOM 820 CA GLN A 54 -5.837 4.828 9.737 1.00 0.00 C ATOM 821 C GLN A 54 -4.443 4.636 9.140 1.00 0.00 C ATOM 822 O GLN A 54 -4.159 5.075 8.044 1.00 0.00 O ATOM 823 CB GLN A 54 -6.576 3.490 9.746 1.00 0.00 C ATOM 824 CG GLN A 54 -7.812 3.594 10.640 1.00 0.00 C ATOM 825 CD GLN A 54 -8.353 2.192 10.923 1.00 0.00 C ATOM 826 OE1 GLN A 54 -8.841 1.923 12.003 1.00 0.00 O ATOM 827 NE2 GLN A 54 -8.286 1.282 9.991 1.00 0.00 N ATOM 0 H GLN A 54 -7.299 5.407 8.292 1.00 0.00 H new ATOM 0 HA GLN A 54 -5.743 5.201 10.757 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -6.870 3.218 8.732 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -5.917 2.701 10.109 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -7.557 4.093 11.575 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -8.577 4.200 10.153 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -7.876 1.509 9.085 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -8.643 0.343 10.168 1.00 0.00 H new ATOM 836 N GLU A 55 -3.571 3.976 9.853 1.00 0.00 N ATOM 837 CA GLU A 55 -2.196 3.748 9.328 1.00 0.00 C ATOM 838 C GLU A 55 -1.913 2.244 9.293 1.00 0.00 C ATOM 839 O GLU A 55 -2.043 1.558 10.287 1.00 0.00 O ATOM 840 CB GLU A 55 -1.177 4.441 10.237 1.00 0.00 C ATOM 841 CG GLU A 55 -0.691 5.730 9.573 1.00 0.00 C ATOM 842 CD GLU A 55 -0.473 6.805 10.641 1.00 0.00 C ATOM 843 OE1 GLU A 55 -0.269 6.439 11.787 1.00 0.00 O ATOM 844 OE2 GLU A 55 -0.514 7.973 10.294 1.00 0.00 O ATOM 0 H GLU A 55 -3.752 3.585 10.777 1.00 0.00 H new ATOM 0 HA GLU A 55 -2.117 4.159 8.322 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -1.630 4.666 11.203 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -0.333 3.777 10.427 1.00 0.00 H new ATOM 0 HG2 GLU A 55 0.238 5.545 9.033 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -1.423 6.073 8.841 1.00 0.00 H new ATOM 851 N VAL A 56 -1.533 1.724 8.158 1.00 0.00 N ATOM 852 CA VAL A 56 -1.252 0.264 8.069 1.00 0.00 C ATOM 853 C VAL A 56 0.221 0.035 7.703 1.00 0.00 C ATOM 854 O VAL A 56 0.787 0.774 6.916 1.00 0.00 O ATOM 855 CB VAL A 56 -2.147 -0.359 6.995 1.00 0.00 C ATOM 856 CG1 VAL A 56 -3.613 -0.085 7.332 1.00 0.00 C ATOM 857 CG2 VAL A 56 -1.816 0.256 5.634 1.00 0.00 C ATOM 0 H VAL A 56 -1.405 2.246 7.291 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.456 -0.201 9.034 1.00 0.00 H new ATOM 0 HB VAL A 56 -1.975 -1.435 6.960 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -4.251 -0.528 6.568 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -3.851 -0.522 8.302 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -3.783 0.991 7.367 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -2.454 -0.188 4.869 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -1.987 1.332 5.670 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -0.771 0.063 5.392 1.00 0.00 H new ATOM 867 N PRO A 57 0.796 -0.990 8.288 1.00 0.00 N ATOM 868 CA PRO A 57 2.202 -1.360 8.047 1.00 0.00 C ATOM 869 C PRO A 57 2.323 -2.143 6.737 1.00 0.00 C ATOM 870 O PRO A 57 1.390 -2.787 6.301 1.00 0.00 O ATOM 871 CB PRO A 57 2.546 -2.254 9.243 1.00 0.00 C ATOM 872 CG PRO A 57 1.203 -2.804 9.778 1.00 0.00 C ATOM 873 CD PRO A 57 0.099 -1.870 9.247 1.00 0.00 C ATOM 0 HA PRO A 57 2.865 -0.500 7.957 1.00 0.00 H new ATOM 0 HB2 PRO A 57 3.207 -3.067 8.943 1.00 0.00 H new ATOM 0 HB3 PRO A 57 3.068 -1.687 10.014 1.00 0.00 H new ATOM 0 HG2 PRO A 57 1.041 -3.827 9.438 1.00 0.00 H new ATOM 0 HG3 PRO A 57 1.200 -2.826 10.868 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -0.699 -2.433 8.763 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -0.359 -1.297 10.053 1.00 0.00 H new ATOM 881 N VAL A 58 3.465 -2.097 6.107 1.00 0.00 N ATOM 882 CA VAL A 58 3.634 -2.846 4.830 1.00 0.00 C ATOM 883 C VAL A 58 5.099 -3.263 4.668 1.00 0.00 C ATOM 884 O VAL A 58 5.899 -3.133 5.573 1.00 0.00 O ATOM 885 CB VAL A 58 3.196 -1.963 3.650 1.00 0.00 C ATOM 886 CG1 VAL A 58 2.075 -1.027 4.101 1.00 0.00 C ATOM 887 CG2 VAL A 58 4.375 -1.127 3.141 1.00 0.00 C ATOM 0 H VAL A 58 4.284 -1.576 6.419 1.00 0.00 H new ATOM 0 HA VAL A 58 3.013 -3.742 4.848 1.00 0.00 H new ATOM 0 HB VAL A 58 2.842 -2.607 2.845 1.00 0.00 H new ATOM 0 HG11 VAL A 58 1.765 -0.401 3.264 1.00 0.00 H new ATOM 0 HG12 VAL A 58 1.226 -1.616 4.448 1.00 0.00 H new ATOM 0 HG13 VAL A 58 2.434 -0.395 4.913 1.00 0.00 H new ATOM 0 HG21 VAL A 58 4.048 -0.508 2.306 1.00 0.00 H new ATOM 0 HG22 VAL A 58 4.742 -0.488 3.945 1.00 0.00 H new ATOM 0 HG23 VAL A 58 5.175 -1.790 2.810 1.00 0.00 H new ATOM 897 N LYS A 59 5.453 -3.756 3.514 1.00 0.00 N ATOM 898 CA LYS A 59 6.861 -4.178 3.284 1.00 0.00 C ATOM 899 C LYS A 59 7.290 -3.790 1.867 1.00 0.00 C ATOM 900 O LYS A 59 6.667 -4.167 0.894 1.00 0.00 O ATOM 901 CB LYS A 59 6.971 -5.696 3.447 1.00 0.00 C ATOM 902 CG LYS A 59 7.538 -6.023 4.830 1.00 0.00 C ATOM 903 CD LYS A 59 6.731 -7.163 5.455 1.00 0.00 C ATOM 904 CE LYS A 59 7.274 -8.505 4.963 1.00 0.00 C ATOM 905 NZ LYS A 59 6.506 -9.614 5.598 1.00 0.00 N ATOM 0 H LYS A 59 4.826 -3.885 2.720 1.00 0.00 H new ATOM 0 HA LYS A 59 7.508 -3.683 4.008 1.00 0.00 H new ATOM 0 HB2 LYS A 59 5.991 -6.157 3.326 1.00 0.00 H new ATOM 0 HB3 LYS A 59 7.615 -6.110 2.671 1.00 0.00 H new ATOM 0 HG2 LYS A 59 8.587 -6.308 4.747 1.00 0.00 H new ATOM 0 HG3 LYS A 59 7.497 -5.141 5.469 1.00 0.00 H new ATOM 0 HD2 LYS A 59 6.791 -7.111 6.542 1.00 0.00 H new ATOM 0 HD3 LYS A 59 5.678 -7.065 5.189 1.00 0.00 H new ATOM 0 HE2 LYS A 59 7.193 -8.567 3.878 1.00 0.00 H new ATOM 0 HE3 LYS A 59 8.332 -8.594 5.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 6.875 -10.527 5.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 6.605 -9.558 6.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 5.501 -9.532 5.342 1.00 0.00 H new ATOM 919 N VAL A 60 8.358 -3.049 1.746 1.00 0.00 N ATOM 920 CA VAL A 60 8.845 -2.643 0.397 1.00 0.00 C ATOM 921 C VAL A 60 8.993 -3.888 -0.473 1.00 0.00 C ATOM 922 O VAL A 60 10.036 -4.511 -0.514 1.00 0.00 O ATOM 923 CB VAL A 60 10.197 -1.945 0.546 1.00 0.00 C ATOM 924 CG1 VAL A 60 10.665 -1.429 -0.813 1.00 0.00 C ATOM 925 CG2 VAL A 60 10.056 -0.766 1.513 1.00 0.00 C ATOM 0 H VAL A 60 8.917 -2.706 2.527 1.00 0.00 H new ATOM 0 HA VAL A 60 8.137 -1.959 -0.071 1.00 0.00 H new ATOM 0 HB VAL A 60 10.927 -2.655 0.934 1.00 0.00 H new ATOM 0 HG11 VAL A 60 11.629 -0.932 -0.701 1.00 0.00 H new ATOM 0 HG12 VAL A 60 10.766 -2.265 -1.505 1.00 0.00 H new ATOM 0 HG13 VAL A 60 9.935 -0.720 -1.204 1.00 0.00 H new ATOM 0 HG21 VAL A 60 11.019 -0.267 1.621 1.00 0.00 H new ATOM 0 HG22 VAL A 60 9.323 -0.060 1.122 1.00 0.00 H new ATOM 0 HG23 VAL A 60 9.725 -1.131 2.486 1.00 0.00 H new ATOM 935 N LEU A 61 7.952 -4.259 -1.166 1.00 0.00 N ATOM 936 CA LEU A 61 8.022 -5.462 -2.024 1.00 0.00 C ATOM 937 C LEU A 61 9.052 -5.239 -3.129 1.00 0.00 C ATOM 938 O LEU A 61 9.695 -6.167 -3.579 1.00 0.00 O ATOM 939 CB LEU A 61 6.649 -5.723 -2.647 1.00 0.00 C ATOM 940 CG LEU A 61 6.292 -7.203 -2.498 1.00 0.00 C ATOM 941 CD1 LEU A 61 4.838 -7.421 -2.920 1.00 0.00 C ATOM 942 CD2 LEU A 61 7.210 -8.043 -3.386 1.00 0.00 C ATOM 0 H LEU A 61 7.054 -3.775 -1.171 1.00 0.00 H new ATOM 0 HA LEU A 61 8.317 -6.322 -1.423 1.00 0.00 H new ATOM 0 HB2 LEU A 61 5.894 -5.105 -2.160 1.00 0.00 H new ATOM 0 HB3 LEU A 61 6.658 -5.445 -3.701 1.00 0.00 H new ATOM 0 HG LEU A 61 6.419 -7.503 -1.458 1.00 0.00 H new ATOM 0 HD11 LEU A 61 4.583 -8.475 -2.814 1.00 0.00 H new ATOM 0 HD12 LEU A 61 4.182 -6.823 -2.287 1.00 0.00 H new ATOM 0 HD13 LEU A 61 4.712 -7.120 -3.960 1.00 0.00 H new ATOM 0 HD21 LEU A 61 6.955 -9.097 -3.279 1.00 0.00 H new ATOM 0 HD22 LEU A 61 7.084 -7.743 -4.426 1.00 0.00 H new ATOM 0 HD23 LEU A 61 8.247 -7.889 -3.087 1.00 0.00 H new ATOM 954 N GLU A 62 9.218 -4.014 -3.562 1.00 0.00 N ATOM 955 CA GLU A 62 10.212 -3.731 -4.643 1.00 0.00 C ATOM 956 C GLU A 62 9.879 -2.408 -5.333 1.00 0.00 C ATOM 957 O GLU A 62 9.066 -1.635 -4.868 1.00 0.00 O ATOM 958 CB GLU A 62 10.172 -4.847 -5.690 1.00 0.00 C ATOM 959 CG GLU A 62 11.449 -5.681 -5.599 1.00 0.00 C ATOM 960 CD GLU A 62 11.351 -6.872 -6.554 1.00 0.00 C ATOM 961 OE1 GLU A 62 10.456 -7.681 -6.369 1.00 0.00 O ATOM 962 OE2 GLU A 62 12.170 -6.955 -7.453 1.00 0.00 O ATOM 0 H GLU A 62 8.710 -3.200 -3.215 1.00 0.00 H new ATOM 0 HA GLU A 62 11.203 -3.673 -4.193 1.00 0.00 H new ATOM 0 HB2 GLU A 62 9.300 -5.480 -5.528 1.00 0.00 H new ATOM 0 HB3 GLU A 62 10.075 -4.420 -6.688 1.00 0.00 H new ATOM 0 HG2 GLU A 62 12.314 -5.069 -5.852 1.00 0.00 H new ATOM 0 HG3 GLU A 62 11.595 -6.032 -4.577 1.00 0.00 H new ATOM 969 N VAL A 63 10.508 -2.156 -6.450 1.00 0.00 N ATOM 970 CA VAL A 63 10.249 -0.898 -7.207 1.00 0.00 C ATOM 971 C VAL A 63 10.369 -1.189 -8.707 1.00 0.00 C ATOM 972 O VAL A 63 11.281 -1.862 -9.145 1.00 0.00 O ATOM 973 CB VAL A 63 11.281 0.154 -6.803 1.00 0.00 C ATOM 974 CG1 VAL A 63 11.274 1.304 -7.812 1.00 0.00 C ATOM 975 CG2 VAL A 63 10.932 0.692 -5.416 1.00 0.00 C ATOM 0 H VAL A 63 11.198 -2.776 -6.874 1.00 0.00 H new ATOM 0 HA VAL A 63 9.249 -0.526 -6.984 1.00 0.00 H new ATOM 0 HB VAL A 63 12.272 -0.299 -6.785 1.00 0.00 H new ATOM 0 HG11 VAL A 63 12.012 2.050 -7.518 1.00 0.00 H new ATOM 0 HG12 VAL A 63 11.520 0.921 -8.802 1.00 0.00 H new ATOM 0 HG13 VAL A 63 10.285 1.761 -7.836 1.00 0.00 H new ATOM 0 HG21 VAL A 63 11.665 1.443 -5.122 1.00 0.00 H new ATOM 0 HG22 VAL A 63 9.940 1.143 -5.440 1.00 0.00 H new ATOM 0 HG23 VAL A 63 10.942 -0.126 -4.695 1.00 0.00 H new ATOM 985 N ASP A 64 9.456 -0.693 -9.497 1.00 0.00 N ATOM 986 CA ASP A 64 9.527 -0.953 -10.966 1.00 0.00 C ATOM 987 C ASP A 64 10.448 0.072 -11.632 1.00 0.00 C ATOM 988 O ASP A 64 11.083 0.873 -10.975 1.00 0.00 O ATOM 989 CB ASP A 64 8.127 -0.862 -11.582 1.00 0.00 C ATOM 990 CG ASP A 64 7.349 0.286 -10.938 1.00 0.00 C ATOM 991 OD1 ASP A 64 7.665 1.428 -11.230 1.00 0.00 O ATOM 992 OD2 ASP A 64 6.451 0.003 -10.163 1.00 0.00 O ATOM 0 H ASP A 64 8.668 -0.122 -9.193 1.00 0.00 H new ATOM 0 HA ASP A 64 9.926 -1.954 -11.128 1.00 0.00 H new ATOM 0 HB2 ASP A 64 8.203 -0.703 -12.658 1.00 0.00 H new ATOM 0 HB3 ASP A 64 7.594 -1.801 -11.436 1.00 0.00 H new ATOM 997 N ARG A 65 10.530 0.046 -12.935 1.00 0.00 N ATOM 998 CA ARG A 65 11.413 1.010 -13.653 1.00 0.00 C ATOM 999 C ARG A 65 10.785 2.406 -13.632 1.00 0.00 C ATOM 1000 O ARG A 65 11.411 3.382 -13.994 1.00 0.00 O ATOM 1001 CB ARG A 65 11.584 0.554 -15.105 1.00 0.00 C ATOM 1002 CG ARG A 65 13.048 0.185 -15.359 1.00 0.00 C ATOM 1003 CD ARG A 65 13.867 1.459 -15.575 1.00 0.00 C ATOM 1004 NE ARG A 65 13.853 1.820 -17.021 1.00 0.00 N ATOM 1005 CZ ARG A 65 14.542 1.116 -17.877 1.00 0.00 C ATOM 1006 NH1 ARG A 65 15.789 1.417 -18.117 1.00 0.00 N ATOM 1007 NH2 ARG A 65 13.983 0.111 -18.493 1.00 0.00 N ATOM 0 H ARG A 65 10.022 -0.604 -13.535 1.00 0.00 H new ATOM 0 HA ARG A 65 12.384 1.045 -13.159 1.00 0.00 H new ATOM 0 HB2 ARG A 65 10.942 -0.304 -15.305 1.00 0.00 H new ATOM 0 HB3 ARG A 65 11.276 1.348 -15.785 1.00 0.00 H new ATOM 0 HG2 ARG A 65 13.445 -0.375 -14.512 1.00 0.00 H new ATOM 0 HG3 ARG A 65 13.124 -0.461 -16.233 1.00 0.00 H new ATOM 0 HD2 ARG A 65 13.454 2.275 -14.982 1.00 0.00 H new ATOM 0 HD3 ARG A 65 14.892 1.307 -15.237 1.00 0.00 H new ATOM 0 HE ARG A 65 13.304 2.618 -17.342 1.00 0.00 H new ATOM 0 HH11 ARG A 65 16.226 2.203 -17.635 1.00 0.00 H new ATOM 0 HH12 ARG A 65 16.327 0.866 -18.786 1.00 0.00 H new ATOM 0 HH21 ARG A 65 13.008 -0.124 -18.305 1.00 0.00 H new ATOM 0 HH22 ARG A 65 14.521 -0.440 -19.162 1.00 0.00 H new ATOM 1021 N GLN A 66 9.554 2.510 -13.215 1.00 0.00 N ATOM 1022 CA GLN A 66 8.892 3.845 -13.180 1.00 0.00 C ATOM 1023 C GLN A 66 9.144 4.507 -11.824 1.00 0.00 C ATOM 1024 O GLN A 66 8.523 5.492 -11.478 1.00 0.00 O ATOM 1025 CB GLN A 66 7.388 3.671 -13.394 1.00 0.00 C ATOM 1026 CG GLN A 66 7.123 3.309 -14.857 1.00 0.00 C ATOM 1027 CD GLN A 66 7.760 4.363 -15.765 1.00 0.00 C ATOM 1028 OE1 GLN A 66 7.761 5.535 -15.448 1.00 0.00 O ATOM 1029 NE2 GLN A 66 8.308 3.992 -16.891 1.00 0.00 N ATOM 0 H GLN A 66 8.978 1.730 -12.897 1.00 0.00 H new ATOM 0 HA GLN A 66 9.301 4.475 -13.970 1.00 0.00 H new ATOM 0 HB2 GLN A 66 7.004 2.889 -12.739 1.00 0.00 H new ATOM 0 HB3 GLN A 66 6.863 4.591 -13.134 1.00 0.00 H new ATOM 0 HG2 GLN A 66 7.535 2.325 -15.080 1.00 0.00 H new ATOM 0 HG3 GLN A 66 6.050 3.255 -15.041 1.00 0.00 H new ATOM 0 HE21 GLN A 66 8.308 3.008 -17.158 1.00 0.00 H new ATOM 0 HE22 GLN A 66 8.736 4.687 -17.503 1.00 0.00 H new ATOM 1038 N GLY A 67 10.056 3.978 -11.055 1.00 0.00 N ATOM 1039 CA GLY A 67 10.353 4.579 -9.725 1.00 0.00 C ATOM 1040 C GLY A 67 9.101 4.535 -8.849 1.00 0.00 C ATOM 1041 O GLY A 67 8.901 5.374 -7.994 1.00 0.00 O ATOM 0 H GLY A 67 10.609 3.154 -11.291 1.00 0.00 H new ATOM 0 HA2 GLY A 67 11.165 4.035 -9.243 1.00 0.00 H new ATOM 0 HA3 GLY A 67 10.687 5.609 -9.847 1.00 0.00 H new ATOM 1045 N ARG A 68 8.257 3.560 -9.050 1.00 0.00 N ATOM 1046 CA ARG A 68 7.025 3.464 -8.221 1.00 0.00 C ATOM 1047 C ARG A 68 7.326 2.625 -6.979 1.00 0.00 C ATOM 1048 O ARG A 68 8.029 1.636 -7.042 1.00 0.00 O ATOM 1049 CB ARG A 68 5.908 2.804 -9.029 1.00 0.00 C ATOM 1050 CG ARG A 68 5.912 3.355 -10.457 1.00 0.00 C ATOM 1051 CD ARG A 68 5.248 4.733 -10.476 1.00 0.00 C ATOM 1052 NE ARG A 68 6.186 5.746 -9.915 1.00 0.00 N ATOM 1053 CZ ARG A 68 5.891 7.017 -9.979 1.00 0.00 C ATOM 1054 NH1 ARG A 68 4.734 7.439 -9.549 1.00 0.00 N ATOM 1055 NH2 ARG A 68 6.752 7.865 -10.474 1.00 0.00 N ATOM 0 H ARG A 68 8.368 2.828 -9.751 1.00 0.00 H new ATOM 0 HA ARG A 68 6.705 4.462 -7.923 1.00 0.00 H new ATOM 0 HB2 ARG A 68 6.047 1.723 -9.045 1.00 0.00 H new ATOM 0 HB3 ARG A 68 4.944 2.994 -8.558 1.00 0.00 H new ATOM 0 HG2 ARG A 68 6.935 3.428 -10.827 1.00 0.00 H new ATOM 0 HG3 ARG A 68 5.380 2.674 -11.122 1.00 0.00 H new ATOM 0 HD2 ARG A 68 4.974 5.002 -11.496 1.00 0.00 H new ATOM 0 HD3 ARG A 68 4.327 4.713 -9.893 1.00 0.00 H new ATOM 0 HE ARG A 68 7.059 5.447 -9.481 1.00 0.00 H new ATOM 0 HH11 ARG A 68 4.061 6.777 -9.163 1.00 0.00 H new ATOM 0 HH12 ARG A 68 4.503 8.431 -9.598 1.00 0.00 H new ATOM 0 HH21 ARG A 68 7.656 7.535 -10.811 1.00 0.00 H new ATOM 0 HH22 ARG A 68 6.520 8.857 -10.523 1.00 0.00 H new ATOM 1069 N ILE A 69 6.807 3.015 -5.848 1.00 0.00 N ATOM 1070 CA ILE A 69 7.072 2.247 -4.602 1.00 0.00 C ATOM 1071 C ILE A 69 6.119 1.053 -4.515 1.00 0.00 C ATOM 1072 O ILE A 69 4.940 1.204 -4.261 1.00 0.00 O ATOM 1073 CB ILE A 69 6.857 3.156 -3.393 1.00 0.00 C ATOM 1074 CG1 ILE A 69 7.790 4.365 -3.493 1.00 0.00 C ATOM 1075 CG2 ILE A 69 7.159 2.381 -2.109 1.00 0.00 C ATOM 1076 CD1 ILE A 69 7.167 5.553 -2.760 1.00 0.00 C ATOM 0 H ILE A 69 6.210 3.834 -5.734 1.00 0.00 H new ATOM 0 HA ILE A 69 8.100 1.886 -4.613 1.00 0.00 H new ATOM 0 HB ILE A 69 5.822 3.496 -3.374 1.00 0.00 H new ATOM 0 HG12 ILE A 69 8.761 4.125 -3.059 1.00 0.00 H new ATOM 0 HG13 ILE A 69 7.962 4.619 -4.539 1.00 0.00 H new ATOM 0 HG21 ILE A 69 7.005 3.031 -1.247 1.00 0.00 H new ATOM 0 HG22 ILE A 69 6.493 1.521 -2.038 1.00 0.00 H new ATOM 0 HG23 ILE A 69 8.194 2.039 -2.125 1.00 0.00 H new ATOM 0 HD11 ILE A 69 7.832 6.414 -2.831 1.00 0.00 H new ATOM 0 HD12 ILE A 69 6.207 5.798 -3.214 1.00 0.00 H new ATOM 0 HD13 ILE A 69 7.018 5.296 -1.711 1.00 0.00 H new ATOM 1088 N ARG A 70 6.621 -0.135 -4.714 1.00 0.00 N ATOM 1089 CA ARG A 70 5.744 -1.339 -4.631 1.00 0.00 C ATOM 1090 C ARG A 70 5.735 -1.849 -3.187 1.00 0.00 C ATOM 1091 O ARG A 70 6.566 -2.646 -2.793 1.00 0.00 O ATOM 1092 CB ARG A 70 6.284 -2.430 -5.560 1.00 0.00 C ATOM 1093 CG ARG A 70 5.404 -3.677 -5.453 1.00 0.00 C ATOM 1094 CD ARG A 70 4.190 -3.528 -6.373 1.00 0.00 C ATOM 1095 NE ARG A 70 3.146 -4.517 -5.984 1.00 0.00 N ATOM 1096 CZ ARG A 70 2.410 -4.307 -4.927 1.00 0.00 C ATOM 1097 NH1 ARG A 70 1.954 -3.109 -4.678 1.00 0.00 N ATOM 1098 NH2 ARG A 70 2.128 -5.295 -4.121 1.00 0.00 N ATOM 0 H ARG A 70 7.600 -0.325 -4.930 1.00 0.00 H new ATOM 0 HA ARG A 70 4.730 -1.080 -4.935 1.00 0.00 H new ATOM 0 HB2 ARG A 70 6.299 -2.071 -6.589 1.00 0.00 H new ATOM 0 HB3 ARG A 70 7.312 -2.674 -5.292 1.00 0.00 H new ATOM 0 HG2 ARG A 70 5.976 -4.563 -5.729 1.00 0.00 H new ATOM 0 HG3 ARG A 70 5.077 -3.817 -4.423 1.00 0.00 H new ATOM 0 HD2 ARG A 70 3.791 -2.516 -6.304 1.00 0.00 H new ATOM 0 HD3 ARG A 70 4.485 -3.684 -7.410 1.00 0.00 H new ATOM 0 HE ARG A 70 3.006 -5.358 -6.544 1.00 0.00 H new ATOM 0 HH11 ARG A 70 2.173 -2.338 -5.309 1.00 0.00 H new ATOM 0 HH12 ARG A 70 1.379 -2.944 -3.852 1.00 0.00 H new ATOM 0 HH21 ARG A 70 2.483 -6.231 -4.318 1.00 0.00 H new ATOM 0 HH22 ARG A 70 1.553 -5.131 -3.295 1.00 0.00 H new ATOM 1112 N LEU A 71 4.809 -1.388 -2.392 1.00 0.00 N ATOM 1113 CA LEU A 71 4.756 -1.834 -0.971 1.00 0.00 C ATOM 1114 C LEU A 71 3.877 -3.078 -0.843 1.00 0.00 C ATOM 1115 O LEU A 71 3.077 -3.382 -1.705 1.00 0.00 O ATOM 1116 CB LEU A 71 4.175 -0.715 -0.106 1.00 0.00 C ATOM 1117 CG LEU A 71 5.230 0.370 0.108 1.00 0.00 C ATOM 1118 CD1 LEU A 71 4.580 1.590 0.765 1.00 0.00 C ATOM 1119 CD2 LEU A 71 6.337 -0.165 1.018 1.00 0.00 C ATOM 0 H LEU A 71 4.087 -0.722 -2.665 1.00 0.00 H new ATOM 0 HA LEU A 71 5.766 -2.073 -0.637 1.00 0.00 H new ATOM 0 HB2 LEU A 71 3.294 -0.290 -0.587 1.00 0.00 H new ATOM 0 HB3 LEU A 71 3.851 -1.115 0.855 1.00 0.00 H new ATOM 0 HG LEU A 71 5.656 0.656 -0.854 1.00 0.00 H new ATOM 0 HD11 LEU A 71 5.332 2.364 0.918 1.00 0.00 H new ATOM 0 HD12 LEU A 71 3.790 1.973 0.119 1.00 0.00 H new ATOM 0 HD13 LEU A 71 4.155 1.302 1.726 1.00 0.00 H new ATOM 0 HD21 LEU A 71 7.089 0.609 1.170 1.00 0.00 H new ATOM 0 HD22 LEU A 71 5.911 -0.451 1.980 1.00 0.00 H new ATOM 0 HD23 LEU A 71 6.801 -1.035 0.554 1.00 0.00 H new ATOM 1131 N SER A 72 4.028 -3.802 0.233 1.00 0.00 N ATOM 1132 CA SER A 72 3.213 -5.032 0.428 1.00 0.00 C ATOM 1133 C SER A 72 2.457 -4.955 1.758 1.00 0.00 C ATOM 1134 O SER A 72 3.049 -4.927 2.818 1.00 0.00 O ATOM 1135 CB SER A 72 4.139 -6.238 0.444 1.00 0.00 C ATOM 1136 OG SER A 72 3.781 -7.122 -0.608 1.00 0.00 O ATOM 0 H SER A 72 4.683 -3.593 0.987 1.00 0.00 H new ATOM 0 HA SER A 72 2.492 -5.123 -0.385 1.00 0.00 H new ATOM 0 HB2 SER A 72 5.174 -5.917 0.328 1.00 0.00 H new ATOM 0 HB3 SER A 72 4.070 -6.750 1.404 1.00 0.00 H new ATOM 0 HG SER A 72 4.139 -8.015 -0.421 1.00 0.00 H new ATOM 1142 N ILE A 73 1.151 -4.937 1.714 1.00 0.00 N ATOM 1143 CA ILE A 73 0.365 -4.877 2.979 1.00 0.00 C ATOM 1144 C ILE A 73 0.945 -5.905 3.963 1.00 0.00 C ATOM 1145 O ILE A 73 1.233 -7.028 3.602 1.00 0.00 O ATOM 1146 CB ILE A 73 -1.118 -5.172 2.665 1.00 0.00 C ATOM 1147 CG1 ILE A 73 -1.878 -3.849 2.557 1.00 0.00 C ATOM 1148 CG2 ILE A 73 -1.761 -6.021 3.768 1.00 0.00 C ATOM 1149 CD1 ILE A 73 -1.404 -3.083 1.322 1.00 0.00 C ATOM 0 H ILE A 73 0.596 -4.961 0.858 1.00 0.00 H new ATOM 0 HA ILE A 73 0.426 -3.887 3.432 1.00 0.00 H new ATOM 0 HB ILE A 73 -1.167 -5.725 1.727 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -2.949 -4.038 2.491 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -1.715 -3.250 3.453 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -2.805 -6.212 3.518 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -1.229 -6.969 3.854 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -1.707 -5.487 4.717 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.947 -2.141 1.248 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -0.336 -2.881 1.407 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -1.590 -3.681 0.430 1.00 0.00 H new ATOM 1161 N LYS A 74 1.128 -5.525 5.198 1.00 0.00 N ATOM 1162 CA LYS A 74 1.702 -6.475 6.195 1.00 0.00 C ATOM 1163 C LYS A 74 0.652 -7.506 6.597 1.00 0.00 C ATOM 1164 O LYS A 74 0.968 -8.615 6.980 1.00 0.00 O ATOM 1165 CB LYS A 74 2.160 -5.705 7.433 1.00 0.00 C ATOM 1166 CG LYS A 74 3.160 -6.556 8.217 1.00 0.00 C ATOM 1167 CD LYS A 74 3.202 -6.086 9.671 1.00 0.00 C ATOM 1168 CE LYS A 74 2.364 -7.029 10.536 1.00 0.00 C ATOM 1169 NZ LYS A 74 3.210 -7.581 11.630 1.00 0.00 N ATOM 0 H LYS A 74 0.905 -4.598 5.560 1.00 0.00 H new ATOM 0 HA LYS A 74 2.554 -6.987 5.748 1.00 0.00 H new ATOM 0 HB2 LYS A 74 2.620 -4.762 7.139 1.00 0.00 H new ATOM 0 HB3 LYS A 74 1.303 -5.460 8.060 1.00 0.00 H new ATOM 0 HG2 LYS A 74 2.873 -7.607 8.172 1.00 0.00 H new ATOM 0 HG3 LYS A 74 4.151 -6.476 7.769 1.00 0.00 H new ATOM 0 HD2 LYS A 74 4.232 -6.066 10.028 1.00 0.00 H new ATOM 0 HD3 LYS A 74 2.818 -5.069 9.747 1.00 0.00 H new ATOM 0 HE2 LYS A 74 1.512 -6.494 10.955 1.00 0.00 H new ATOM 0 HE3 LYS A 74 1.964 -7.839 9.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 2.641 -8.222 12.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 4.009 -8.105 11.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 3.571 -6.802 12.216 1.00 0.00 H new ATOM 1183 N GLU A 75 -0.593 -7.154 6.507 1.00 0.00 N ATOM 1184 CA GLU A 75 -1.668 -8.117 6.876 1.00 0.00 C ATOM 1185 C GLU A 75 -1.928 -9.063 5.702 1.00 0.00 C ATOM 1186 O GLU A 75 -2.859 -9.845 5.715 1.00 0.00 O ATOM 1187 CB GLU A 75 -2.953 -7.355 7.212 1.00 0.00 C ATOM 1188 CG GLU A 75 -4.053 -8.351 7.584 1.00 0.00 C ATOM 1189 CD GLU A 75 -5.053 -7.679 8.525 1.00 0.00 C ATOM 1190 OE1 GLU A 75 -5.069 -6.460 8.569 1.00 0.00 O ATOM 1191 OE2 GLU A 75 -5.789 -8.395 9.184 1.00 0.00 O ATOM 0 H GLU A 75 -0.918 -6.239 6.193 1.00 0.00 H new ATOM 0 HA GLU A 75 -1.353 -8.692 7.747 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -2.775 -6.667 8.039 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -3.266 -6.753 6.359 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -4.561 -8.700 6.685 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -3.618 -9.227 8.064 1.00 0.00 H new ATOM 1198 N ALA A 76 -1.111 -9.000 4.686 1.00 0.00 N ATOM 1199 CA ALA A 76 -1.305 -9.893 3.511 1.00 0.00 C ATOM 1200 C ALA A 76 -0.776 -11.290 3.842 1.00 0.00 C ATOM 1201 O ALA A 76 -0.791 -12.132 2.960 1.00 0.00 O ATOM 1202 CB ALA A 76 -0.539 -9.324 2.316 1.00 0.00 C ATOM 1203 OXT ALA A 76 -0.367 -11.493 4.974 1.00 0.00 O ATOM 0 H ALA A 76 -0.315 -8.366 4.620 1.00 0.00 H new ATOM 0 HA ALA A 76 -2.366 -9.957 3.268 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -0.677 -9.974 1.452 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -0.915 -8.327 2.084 1.00 0.00 H new ATOM 0 HB3 ALA A 76 0.522 -9.264 2.559 1.00 0.00 H new TER 1209 ALA A 76