USER MOD reduce.3.24.130724 H: found=0, std=0, add=420, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 422 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 9 CYS SG : rot 180:sc= 0 USER MOD Single : A 10 CYS SG : rot -119:sc= -1.58 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -163:sc=-0.00598 (180deg=-0.17) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot -57:sc= 0.971 USER MOD Single : A 36 ASN : amide:sc=-0.00272 X(o=-0.0027,f=-0.0027) USER MOD Single : A 37 GLN : amide:sc= -1.45! C(o=-1.4!,f=-2.9!) USER MOD Single : A 41 ASN : amide:sc= -0.11 K(o=-0.11,f=-1.1) USER MOD Single : A 43 TYR OH : rot 165:sc= 0 USER MOD Single : A 46 MET CE :methyl 159:sc= -0.0176 (180deg=-0.75) USER MOD Single : A 48 HIS : no HD1:sc=-0.00714 X(o=-0.0071,f=-0.011) USER MOD Single : A 50 HIS :FLIP no HE2:sc= -0.817 F(o=-2.3!,f=-0.82) USER MOD Single : A 51 SER OG : rot 39:sc= 0.525 USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=-0.028) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 9.369 2.792 9.611 1.00 0.00 N ATOM 60 CA GLY A 7 8.759 3.450 8.470 1.00 0.00 C ATOM 61 C GLY A 7 7.291 3.103 8.317 1.00 0.00 C ATOM 62 O GLY A 7 6.796 2.137 8.897 1.00 0.00 O ATOM 0 HA2 GLY A 7 8.865 4.530 8.578 1.00 0.00 H new ATOM 0 HA3 GLY A 7 9.293 3.166 7.563 1.00 0.00 H new ATOM 66 N PRO A 8 6.569 3.907 7.522 1.00 0.00 N ATOM 67 CA PRO A 8 5.139 3.700 7.277 1.00 0.00 C ATOM 68 C PRO A 8 4.868 2.459 6.434 1.00 0.00 C ATOM 69 O PRO A 8 5.427 2.300 5.348 1.00 0.00 O ATOM 70 CB PRO A 8 4.723 4.963 6.518 1.00 0.00 C ATOM 71 CG PRO A 8 5.974 5.441 5.865 1.00 0.00 C ATOM 72 CD PRO A 8 7.094 5.078 6.799 1.00 0.00 C ATOM 0 HA PRO A 8 4.586 3.540 8.203 1.00 0.00 H new ATOM 0 HB2 PRO A 8 3.950 4.746 5.781 1.00 0.00 H new ATOM 0 HB3 PRO A 8 4.317 5.715 7.194 1.00 0.00 H new ATOM 0 HG2 PRO A 8 6.110 4.970 4.891 1.00 0.00 H new ATOM 0 HG3 PRO A 8 5.940 6.517 5.697 1.00 0.00 H new ATOM 0 HD2 PRO A 8 8.008 4.838 6.256 1.00 0.00 H new ATOM 0 HD3 PRO A 8 7.332 5.896 7.478 1.00 0.00 H new ATOM 80 N CYS A 9 4.008 1.582 6.940 1.00 0.00 N ATOM 81 CA CYS A 9 3.663 0.354 6.233 1.00 0.00 C ATOM 82 C CYS A 9 2.179 0.037 6.385 1.00 0.00 C ATOM 83 O CYS A 9 1.517 0.538 7.295 1.00 0.00 O ATOM 84 CB CYS A 9 4.502 -0.813 6.756 1.00 0.00 C ATOM 85 SG CYS A 9 4.195 -1.224 8.490 1.00 0.00 S ATOM 0 H CYS A 9 3.537 1.699 7.837 1.00 0.00 H new ATOM 0 HA CYS A 9 3.878 0.501 5.175 1.00 0.00 H new ATOM 0 HB2 CYS A 9 4.302 -1.693 6.144 1.00 0.00 H new ATOM 0 HB3 CYS A 9 5.558 -0.572 6.632 1.00 0.00 H new ATOM 0 HG CYS A 9 4.949 -2.224 8.839 1.00 0.00 H new ATOM 91 N CYS A 10 1.662 -0.795 5.487 1.00 0.00 N ATOM 92 CA CYS A 10 0.255 -1.176 5.520 1.00 0.00 C ATOM 93 C CYS A 10 0.103 -2.694 5.518 1.00 0.00 C ATOM 94 O CYS A 10 0.989 -3.416 5.061 1.00 0.00 O ATOM 95 CB CYS A 10 -0.486 -0.576 4.324 1.00 0.00 C ATOM 96 SG CYS A 10 -0.134 -1.395 2.751 1.00 0.00 S ATOM 0 H CYS A 10 2.196 -1.218 4.728 1.00 0.00 H new ATOM 0 HA CYS A 10 -0.180 -0.786 6.440 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -1.558 -0.623 4.514 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -0.223 0.478 4.239 1.00 0.00 H new ATOM 0 HG CYS A 10 0.398 -0.542 1.927 1.00 0.00 H new ATOM 102 N ARG A 11 -1.026 -3.171 6.033 1.00 0.00 N ATOM 103 CA ARG A 11 -1.293 -4.603 6.093 1.00 0.00 C ATOM 104 C ARG A 11 -2.449 -4.980 5.171 1.00 0.00 C ATOM 105 O ARG A 11 -3.473 -4.299 5.133 1.00 0.00 O ATOM 106 CB ARG A 11 -1.613 -5.024 7.529 1.00 0.00 C ATOM 107 CG ARG A 11 -1.555 -6.526 7.751 1.00 0.00 C ATOM 108 CD ARG A 11 -1.270 -6.864 9.206 1.00 0.00 C ATOM 109 NE ARG A 11 -0.038 -6.240 9.681 1.00 0.00 N ATOM 110 CZ ARG A 11 0.501 -6.490 10.869 1.00 0.00 C ATOM 111 NH1 ARG A 11 -0.080 -7.347 11.698 1.00 0.00 N ATOM 112 NH2 ARG A 11 1.625 -5.883 11.230 1.00 0.00 N ATOM 0 H ARG A 11 -1.770 -2.587 6.414 1.00 0.00 H new ATOM 0 HA ARG A 11 -0.398 -5.128 5.758 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -0.911 -4.538 8.206 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -2.608 -4.665 7.791 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -2.501 -6.976 7.451 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -0.781 -6.959 7.117 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -2.105 -6.535 9.825 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -1.196 -7.946 9.319 1.00 0.00 H new ATOM 0 HE ARG A 11 0.434 -5.576 9.067 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -0.943 -7.816 11.424 1.00 0.00 H new ATOM 0 HH12 ARG A 11 0.336 -7.537 12.610 1.00 0.00 H new ATOM 0 HH21 ARG A 11 2.075 -5.224 10.595 1.00 0.00 H new ATOM 0 HH22 ARG A 11 2.038 -6.076 12.142 1.00 0.00 H new ATOM 126 N ALA A 12 -2.276 -6.069 4.429 1.00 0.00 N ATOM 127 CA ALA A 12 -3.305 -6.537 3.509 1.00 0.00 C ATOM 128 C ALA A 12 -4.329 -7.408 4.228 1.00 0.00 C ATOM 129 O ALA A 12 -3.970 -8.307 4.990 1.00 0.00 O ATOM 130 CB ALA A 12 -2.673 -7.304 2.357 1.00 0.00 C ATOM 0 H ALA A 12 -1.433 -6.643 4.447 1.00 0.00 H new ATOM 0 HA ALA A 12 -3.824 -5.666 3.110 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -3.453 -7.648 1.678 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -1.985 -6.651 1.819 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -2.128 -8.163 2.748 1.00 0.00 H new ATOM 136 N LEU A 13 -5.606 -7.137 3.982 1.00 0.00 N ATOM 137 CA LEU A 13 -6.684 -7.896 4.606 1.00 0.00 C ATOM 138 C LEU A 13 -7.090 -9.082 3.737 1.00 0.00 C ATOM 139 O LEU A 13 -7.361 -10.171 4.242 1.00 0.00 O ATOM 140 CB LEU A 13 -7.893 -6.993 4.854 1.00 0.00 C ATOM 141 CG LEU A 13 -7.642 -5.758 5.720 1.00 0.00 C ATOM 142 CD1 LEU A 13 -8.699 -4.697 5.456 1.00 0.00 C ATOM 143 CD2 LEU A 13 -7.621 -6.136 7.194 1.00 0.00 C ATOM 0 H LEU A 13 -5.920 -6.397 3.354 1.00 0.00 H new ATOM 0 HA LEU A 13 -6.321 -8.277 5.561 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.279 -6.663 3.889 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -8.676 -7.589 5.324 1.00 0.00 H new ATOM 0 HG LEU A 13 -6.668 -5.345 5.457 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -8.504 -3.826 6.081 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -8.667 -4.405 4.406 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -9.685 -5.099 5.691 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -7.441 -5.245 7.796 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -8.580 -6.573 7.471 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.827 -6.861 7.372 1.00 0.00 H new ATOM 155 N TYR A 14 -7.129 -8.862 2.427 1.00 0.00 N ATOM 156 CA TYR A 14 -7.502 -9.912 1.487 1.00 0.00 C ATOM 157 C TYR A 14 -6.445 -10.068 0.397 1.00 0.00 C ATOM 158 O TYR A 14 -5.423 -9.382 0.405 1.00 0.00 O ATOM 159 CB TYR A 14 -8.860 -9.602 0.856 1.00 0.00 C ATOM 160 CG TYR A 14 -10.020 -9.746 1.814 1.00 0.00 C ATOM 161 CD1 TYR A 14 -10.418 -10.996 2.272 1.00 0.00 C ATOM 162 CD2 TYR A 14 -10.719 -8.632 2.262 1.00 0.00 C ATOM 163 CE1 TYR A 14 -11.478 -11.132 3.147 1.00 0.00 C ATOM 164 CE2 TYR A 14 -11.779 -8.758 3.139 1.00 0.00 C ATOM 165 CZ TYR A 14 -12.155 -10.011 3.578 1.00 0.00 C ATOM 166 OH TYR A 14 -13.211 -10.142 4.450 1.00 0.00 O ATOM 0 H TYR A 14 -6.907 -7.966 1.993 1.00 0.00 H new ATOM 0 HA TYR A 14 -7.571 -10.850 2.038 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -8.846 -8.584 0.466 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -9.017 -10.267 0.007 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -9.889 -11.877 1.938 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -10.429 -7.650 1.919 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -11.775 -12.111 3.492 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -12.310 -7.881 3.479 1.00 0.00 H new ATOM 0 HH TYR A 14 -13.578 -9.257 4.655 1.00 0.00 H new ATOM 176 N ASP A 15 -6.700 -10.976 -0.539 1.00 0.00 N ATOM 177 CA ASP A 15 -5.774 -11.222 -1.638 1.00 0.00 C ATOM 178 C ASP A 15 -6.249 -10.536 -2.914 1.00 0.00 C ATOM 179 O ASP A 15 -7.409 -10.664 -3.305 1.00 0.00 O ATOM 180 CB ASP A 15 -5.622 -12.725 -1.878 1.00 0.00 C ATOM 181 CG ASP A 15 -4.423 -13.055 -2.746 1.00 0.00 C ATOM 182 OD1 ASP A 15 -3.402 -12.345 -2.639 1.00 0.00 O ATOM 183 OD2 ASP A 15 -4.507 -14.022 -3.531 1.00 0.00 O ATOM 0 H ASP A 15 -7.540 -11.554 -0.558 1.00 0.00 H new ATOM 0 HA ASP A 15 -4.805 -10.806 -1.363 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -5.524 -13.235 -0.920 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -6.526 -13.108 -2.352 1.00 0.00 H new ATOM 188 N PHE A 16 -5.345 -9.805 -3.559 1.00 0.00 N ATOM 189 CA PHE A 16 -5.673 -9.096 -4.791 1.00 0.00 C ATOM 190 C PHE A 16 -4.679 -9.440 -5.897 1.00 0.00 C ATOM 191 O PHE A 16 -3.475 -9.238 -5.747 1.00 0.00 O ATOM 192 CB PHE A 16 -5.681 -7.586 -4.548 1.00 0.00 C ATOM 193 CG PHE A 16 -5.812 -6.777 -5.807 1.00 0.00 C ATOM 194 CD1 PHE A 16 -7.020 -6.717 -6.484 1.00 0.00 C ATOM 195 CD2 PHE A 16 -4.729 -6.076 -6.312 1.00 0.00 C ATOM 196 CE1 PHE A 16 -7.143 -5.974 -7.643 1.00 0.00 C ATOM 197 CE2 PHE A 16 -4.847 -5.331 -7.471 1.00 0.00 C ATOM 198 CZ PHE A 16 -6.056 -5.280 -8.136 1.00 0.00 C ATOM 0 H PHE A 16 -4.380 -9.688 -3.249 1.00 0.00 H new ATOM 0 HA PHE A 16 -6.667 -9.411 -5.109 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -6.505 -7.338 -3.879 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -4.760 -7.303 -4.038 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -7.874 -7.256 -6.102 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -3.782 -6.112 -5.795 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -8.089 -5.936 -8.163 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -3.995 -4.790 -7.855 1.00 0.00 H new ATOM 0 HZ PHE A 16 -6.151 -4.698 -9.041 1.00 0.00 H new ATOM 208 N GLU A 17 -5.195 -9.961 -7.006 1.00 0.00 N ATOM 209 CA GLU A 17 -4.353 -10.334 -8.137 1.00 0.00 C ATOM 210 C GLU A 17 -4.225 -9.178 -9.125 1.00 0.00 C ATOM 211 O GLU A 17 -5.176 -8.439 -9.380 1.00 0.00 O ATOM 212 CB GLU A 17 -4.926 -11.564 -8.844 1.00 0.00 C ATOM 213 CG GLU A 17 -6.191 -11.275 -9.636 1.00 0.00 C ATOM 214 CD GLU A 17 -5.901 -10.839 -11.059 1.00 0.00 C ATOM 215 OE1 GLU A 17 -4.823 -11.195 -11.580 1.00 0.00 O ATOM 216 OE2 GLU A 17 -6.752 -10.143 -11.652 1.00 0.00 O ATOM 0 H GLU A 17 -6.190 -10.134 -7.145 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.361 -10.573 -7.755 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -4.171 -11.971 -9.517 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -5.140 -12.333 -8.102 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -6.816 -12.168 -9.654 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -6.762 -10.496 -9.130 1.00 0.00 H new ATOM 223 N PRO A 18 -3.021 -9.018 -9.694 1.00 0.00 N ATOM 224 CA PRO A 18 -2.740 -7.954 -10.663 1.00 0.00 C ATOM 225 C PRO A 18 -3.448 -8.180 -11.994 1.00 0.00 C ATOM 226 O PRO A 18 -3.216 -9.183 -12.668 1.00 0.00 O ATOM 227 CB PRO A 18 -1.222 -8.033 -10.845 1.00 0.00 C ATOM 228 CG PRO A 18 -0.872 -9.441 -10.505 1.00 0.00 C ATOM 229 CD PRO A 18 -1.843 -9.862 -9.437 1.00 0.00 C ATOM 0 HA PRO A 18 -3.092 -6.983 -10.315 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -0.933 -7.789 -11.867 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -0.708 -7.328 -10.191 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -0.951 -10.085 -11.381 1.00 0.00 H new ATOM 0 HG3 PRO A 18 0.156 -9.513 -10.149 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -2.085 -10.922 -9.510 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -1.439 -9.695 -8.438 1.00 0.00 H new ATOM 288 N GLU A 23 0.088 -2.378 -11.981 1.00 0.00 N ATOM 289 CA GLU A 23 -0.537 -2.761 -10.720 1.00 0.00 C ATOM 290 C GLU A 23 0.435 -3.553 -9.850 1.00 0.00 C ATOM 291 O GLU A 23 1.421 -4.103 -10.343 1.00 0.00 O ATOM 292 CB GLU A 23 -1.797 -3.588 -10.980 1.00 0.00 C ATOM 293 CG GLU A 23 -2.951 -2.778 -11.547 1.00 0.00 C ATOM 294 CD GLU A 23 -3.664 -1.957 -10.490 1.00 0.00 C ATOM 295 OE1 GLU A 23 -4.232 -2.559 -9.555 1.00 0.00 O ATOM 296 OE2 GLU A 23 -3.653 -0.713 -10.598 1.00 0.00 O ATOM 0 HA GLU A 23 -0.813 -1.850 -10.189 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -1.556 -4.394 -11.672 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -2.115 -4.053 -10.047 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -2.575 -2.114 -12.325 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -3.665 -3.452 -12.020 1.00 0.00 H new ATOM 303 N LEU A 24 0.149 -3.608 -8.554 1.00 0.00 N ATOM 304 CA LEU A 24 0.997 -4.333 -7.614 1.00 0.00 C ATOM 305 C LEU A 24 0.169 -5.283 -6.755 1.00 0.00 C ATOM 306 O LEU A 24 -0.331 -4.904 -5.697 1.00 0.00 O ATOM 307 CB LEU A 24 1.757 -3.351 -6.720 1.00 0.00 C ATOM 308 CG LEU A 24 2.555 -3.968 -5.571 1.00 0.00 C ATOM 309 CD1 LEU A 24 3.846 -4.583 -6.088 1.00 0.00 C ATOM 310 CD2 LEU A 24 2.850 -2.923 -4.505 1.00 0.00 C ATOM 0 H LEU A 24 -0.663 -3.160 -8.130 1.00 0.00 H new ATOM 0 HA LEU A 24 1.713 -4.921 -8.188 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.442 -2.778 -7.345 1.00 0.00 H new ATOM 0 HB3 LEU A 24 1.041 -2.644 -6.300 1.00 0.00 H new ATOM 0 HG LEU A 24 1.955 -4.758 -5.120 1.00 0.00 H new ATOM 0 HD11 LEU A 24 4.401 -5.017 -5.256 1.00 0.00 H new ATOM 0 HD12 LEU A 24 3.613 -5.361 -6.814 1.00 0.00 H new ATOM 0 HD13 LEU A 24 4.451 -3.812 -6.564 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.419 -3.380 -3.695 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.430 -2.111 -4.943 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.913 -2.529 -4.113 1.00 0.00 H new ATOM 322 N GLY A 25 0.031 -6.522 -7.218 1.00 0.00 N ATOM 323 CA GLY A 25 -0.735 -7.509 -6.479 1.00 0.00 C ATOM 324 C GLY A 25 -0.150 -7.790 -5.109 1.00 0.00 C ATOM 325 O GLY A 25 1.048 -8.043 -4.977 1.00 0.00 O ATOM 0 H GLY A 25 0.436 -6.860 -8.091 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -1.761 -7.159 -6.368 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -0.775 -8.436 -7.051 1.00 0.00 H new ATOM 329 N PHE A 26 -0.996 -7.745 -4.085 1.00 0.00 N ATOM 330 CA PHE A 26 -0.556 -7.994 -2.718 1.00 0.00 C ATOM 331 C PHE A 26 -1.128 -9.307 -2.193 1.00 0.00 C ATOM 332 O PHE A 26 -1.962 -9.938 -2.843 1.00 0.00 O ATOM 333 CB PHE A 26 -0.977 -6.840 -1.806 1.00 0.00 C ATOM 334 CG PHE A 26 -2.428 -6.473 -1.934 1.00 0.00 C ATOM 335 CD1 PHE A 26 -3.418 -7.361 -1.544 1.00 0.00 C ATOM 336 CD2 PHE A 26 -2.802 -5.241 -2.446 1.00 0.00 C ATOM 337 CE1 PHE A 26 -4.754 -7.027 -1.660 1.00 0.00 C ATOM 338 CE2 PHE A 26 -4.137 -4.901 -2.564 1.00 0.00 C ATOM 339 CZ PHE A 26 -5.114 -5.795 -2.172 1.00 0.00 C ATOM 0 H PHE A 26 -1.991 -7.538 -4.177 1.00 0.00 H new ATOM 0 HA PHE A 26 0.532 -8.068 -2.721 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -0.769 -7.111 -0.771 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -0.368 -5.966 -2.035 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -3.142 -8.326 -1.145 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -2.042 -4.539 -2.756 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -5.515 -7.728 -1.351 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -4.416 -3.937 -2.963 1.00 0.00 H new ATOM 0 HZ PHE A 26 -6.157 -5.532 -2.265 1.00 0.00 H new ATOM 349 N LYS A 27 -0.674 -9.714 -1.012 1.00 0.00 N ATOM 350 CA LYS A 27 -1.140 -10.951 -0.397 1.00 0.00 C ATOM 351 C LYS A 27 -1.670 -10.693 1.009 1.00 0.00 C ATOM 352 O LYS A 27 -1.144 -9.852 1.736 1.00 0.00 O ATOM 353 CB LYS A 27 -0.006 -11.978 -0.347 1.00 0.00 C ATOM 354 CG LYS A 27 0.548 -12.340 -1.714 1.00 0.00 C ATOM 355 CD LYS A 27 -0.359 -13.318 -2.442 1.00 0.00 C ATOM 356 CE LYS A 27 -0.049 -14.757 -2.058 1.00 0.00 C ATOM 357 NZ LYS A 27 1.238 -15.223 -2.644 1.00 0.00 N ATOM 0 H LYS A 27 0.017 -9.204 -0.461 1.00 0.00 H new ATOM 0 HA LYS A 27 -1.953 -11.347 -1.005 1.00 0.00 H new ATOM 0 HB2 LYS A 27 0.802 -11.585 0.271 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -0.368 -12.883 0.140 1.00 0.00 H new ATOM 0 HG2 LYS A 27 0.664 -11.436 -2.312 1.00 0.00 H new ATOM 0 HG3 LYS A 27 1.540 -12.777 -1.601 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -1.400 -13.094 -2.208 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -0.240 -13.194 -3.518 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.005 -14.842 -0.972 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -0.858 -15.405 -2.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 1.279 -16.262 -2.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 1.305 -14.906 -3.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 2.031 -14.828 -2.099 1.00 0.00 H new ATOM 371 N GLU A 28 -2.714 -11.425 1.387 1.00 0.00 N ATOM 372 CA GLU A 28 -3.314 -11.275 2.707 1.00 0.00 C ATOM 373 C GLU A 28 -2.257 -11.395 3.802 1.00 0.00 C ATOM 374 O GLU A 28 -1.659 -12.453 3.990 1.00 0.00 O ATOM 375 CB GLU A 28 -4.404 -12.327 2.919 1.00 0.00 C ATOM 376 CG GLU A 28 -5.106 -12.215 4.262 1.00 0.00 C ATOM 377 CD GLU A 28 -6.399 -13.005 4.313 1.00 0.00 C ATOM 378 OE1 GLU A 28 -7.236 -12.834 3.402 1.00 0.00 O ATOM 379 OE2 GLU A 28 -6.574 -13.795 5.264 1.00 0.00 O ATOM 0 H GLU A 28 -3.161 -12.127 0.798 1.00 0.00 H new ATOM 0 HA GLU A 28 -3.761 -10.282 2.764 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.144 -12.237 2.123 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -3.961 -13.319 2.832 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.438 -12.568 5.047 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -5.317 -11.166 4.471 1.00 0.00 H new ATOM 386 N GLY A 29 -2.032 -10.299 4.521 1.00 0.00 N ATOM 387 CA GLY A 29 -1.047 -10.301 5.587 1.00 0.00 C ATOM 388 C GLY A 29 0.248 -9.625 5.182 1.00 0.00 C ATOM 389 O GLY A 29 0.871 -8.930 5.984 1.00 0.00 O ATOM 0 H GLY A 29 -2.514 -9.411 4.384 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -1.460 -9.795 6.460 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -0.839 -11.329 5.883 1.00 0.00 H new ATOM 393 N ASP A 30 0.655 -9.830 3.934 1.00 0.00 N ATOM 394 CA ASP A 30 1.884 -9.236 3.423 1.00 0.00 C ATOM 395 C ASP A 30 1.906 -7.731 3.675 1.00 0.00 C ATOM 396 O ASP A 30 0.906 -7.043 3.470 1.00 0.00 O ATOM 397 CB ASP A 30 2.029 -9.517 1.927 1.00 0.00 C ATOM 398 CG ASP A 30 2.683 -10.856 1.650 1.00 0.00 C ATOM 399 OD1 ASP A 30 2.086 -11.893 2.008 1.00 0.00 O ATOM 400 OD2 ASP A 30 3.791 -10.867 1.074 1.00 0.00 O ATOM 0 H ASP A 30 0.151 -10.403 3.258 1.00 0.00 H new ATOM 0 HA ASP A 30 2.723 -9.688 3.952 1.00 0.00 H new ATOM 0 HB2 ASP A 30 1.045 -9.493 1.459 1.00 0.00 H new ATOM 0 HB3 ASP A 30 2.620 -8.725 1.467 1.00 0.00 H new ATOM 405 N ILE A 31 3.052 -7.228 4.122 1.00 0.00 N ATOM 406 CA ILE A 31 3.203 -5.806 4.403 1.00 0.00 C ATOM 407 C ILE A 31 3.773 -5.066 3.197 1.00 0.00 C ATOM 408 O ILE A 31 4.878 -5.360 2.742 1.00 0.00 O ATOM 409 CB ILE A 31 4.118 -5.565 5.618 1.00 0.00 C ATOM 410 CG1 ILE A 31 3.600 -6.337 6.834 1.00 0.00 C ATOM 411 CG2 ILE A 31 4.209 -4.078 5.927 1.00 0.00 C ATOM 412 CD1 ILE A 31 2.227 -5.897 7.289 1.00 0.00 C ATOM 0 H ILE A 31 3.889 -7.784 4.297 1.00 0.00 H new ATOM 0 HA ILE A 31 2.208 -5.421 4.627 1.00 0.00 H new ATOM 0 HB ILE A 31 5.118 -5.928 5.379 1.00 0.00 H new ATOM 0 HG12 ILE A 31 3.571 -7.400 6.594 1.00 0.00 H new ATOM 0 HG13 ILE A 31 4.303 -6.215 7.658 1.00 0.00 H new ATOM 0 HG21 ILE A 31 4.859 -3.924 6.788 1.00 0.00 H new ATOM 0 HG22 ILE A 31 4.618 -3.552 5.065 1.00 0.00 H new ATOM 0 HG23 ILE A 31 3.215 -3.691 6.150 1.00 0.00 H new ATOM 0 HD11 ILE A 31 1.924 -6.487 8.154 1.00 0.00 H new ATOM 0 HD12 ILE A 31 2.255 -4.842 7.561 1.00 0.00 H new ATOM 0 HD13 ILE A 31 1.511 -6.045 6.480 1.00 0.00 H new ATOM 424 N ILE A 32 3.012 -4.103 2.687 1.00 0.00 N ATOM 425 CA ILE A 32 3.443 -3.319 1.536 1.00 0.00 C ATOM 426 C ILE A 32 4.025 -1.979 1.971 1.00 0.00 C ATOM 427 O ILE A 32 3.313 -1.120 2.495 1.00 0.00 O ATOM 428 CB ILE A 32 2.279 -3.068 0.559 1.00 0.00 C ATOM 429 CG1 ILE A 32 1.688 -4.397 0.083 1.00 0.00 C ATOM 430 CG2 ILE A 32 2.752 -2.238 -0.625 1.00 0.00 C ATOM 431 CD1 ILE A 32 0.627 -4.951 1.007 1.00 0.00 C ATOM 0 H ILE A 32 2.095 -3.847 3.052 1.00 0.00 H new ATOM 0 HA ILE A 32 4.214 -3.899 1.029 1.00 0.00 H new ATOM 0 HB ILE A 32 1.500 -2.512 1.080 1.00 0.00 H new ATOM 0 HG12 ILE A 32 1.259 -4.260 -0.909 1.00 0.00 H new ATOM 0 HG13 ILE A 32 2.491 -5.128 -0.015 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.919 -2.069 -1.307 1.00 0.00 H new ATOM 0 HG22 ILE A 32 3.130 -1.280 -0.269 1.00 0.00 H new ATOM 0 HG23 ILE A 32 3.546 -2.770 -1.148 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.253 -5.894 0.608 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.057 -5.120 1.994 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -0.194 -4.239 1.086 1.00 0.00 H new ATOM 443 N THR A 33 5.324 -1.803 1.750 1.00 0.00 N ATOM 444 CA THR A 33 6.002 -0.567 2.118 1.00 0.00 C ATOM 445 C THR A 33 5.276 0.648 1.553 1.00 0.00 C ATOM 446 O THR A 33 4.490 0.532 0.612 1.00 0.00 O ATOM 447 CB THR A 33 7.460 -0.557 1.621 1.00 0.00 C ATOM 448 OG1 THR A 33 8.119 -1.768 2.009 1.00 0.00 O ATOM 449 CG2 THR A 33 8.214 0.639 2.182 1.00 0.00 C ATOM 0 H THR A 33 5.928 -2.502 1.317 1.00 0.00 H new ATOM 0 HA THR A 33 5.997 -0.516 3.207 1.00 0.00 H new ATOM 0 HB THR A 33 7.449 -0.483 0.534 1.00 0.00 H new ATOM 0 HG1 THR A 33 9.045 -1.754 1.688 1.00 0.00 H new ATOM 0 HG21 THR A 33 9.241 0.625 1.818 1.00 0.00 H new ATOM 0 HG22 THR A 33 7.727 1.560 1.860 1.00 0.00 H new ATOM 0 HG23 THR A 33 8.215 0.590 3.271 1.00 0.00 H new ATOM 457 N LEU A 34 5.543 1.813 2.132 1.00 0.00 N ATOM 458 CA LEU A 34 4.915 3.052 1.686 1.00 0.00 C ATOM 459 C LEU A 34 5.966 4.106 1.353 1.00 0.00 C ATOM 460 O LEU A 34 6.892 4.343 2.129 1.00 0.00 O ATOM 461 CB LEU A 34 3.967 3.583 2.762 1.00 0.00 C ATOM 462 CG LEU A 34 2.557 2.990 2.767 1.00 0.00 C ATOM 463 CD1 LEU A 34 1.847 3.312 4.072 1.00 0.00 C ATOM 464 CD2 LEU A 34 1.757 3.508 1.580 1.00 0.00 C ATOM 0 H LEU A 34 6.191 1.926 2.912 1.00 0.00 H new ATOM 0 HA LEU A 34 4.344 2.836 0.783 1.00 0.00 H new ATOM 0 HB2 LEU A 34 4.419 3.402 3.737 1.00 0.00 H new ATOM 0 HB3 LEU A 34 3.885 4.663 2.644 1.00 0.00 H new ATOM 0 HG LEU A 34 2.639 1.907 2.680 1.00 0.00 H new ATOM 0 HD11 LEU A 34 0.846 2.882 4.057 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.410 2.892 4.906 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.776 4.393 4.190 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.756 3.076 1.599 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.684 4.594 1.636 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.257 3.225 0.653 1.00 0.00 H new ATOM 476 N THR A 35 5.815 4.738 0.193 1.00 0.00 N ATOM 477 CA THR A 35 6.750 5.768 -0.243 1.00 0.00 C ATOM 478 C THR A 35 6.019 7.058 -0.601 1.00 0.00 C ATOM 479 O THR A 35 6.327 8.124 -0.070 1.00 0.00 O ATOM 480 CB THR A 35 7.571 5.302 -1.460 1.00 0.00 C ATOM 481 OG1 THR A 35 6.697 4.981 -2.547 1.00 0.00 O ATOM 482 CG2 THR A 35 8.419 4.089 -1.108 1.00 0.00 C ATOM 0 H THR A 35 5.054 4.555 -0.461 1.00 0.00 H new ATOM 0 HA THR A 35 7.426 5.956 0.591 1.00 0.00 H new ATOM 0 HB THR A 35 8.234 6.115 -1.756 1.00 0.00 H new ATOM 0 HG1 THR A 35 6.053 4.301 -2.259 1.00 0.00 H new ATOM 0 HG21 THR A 35 8.990 3.778 -1.983 1.00 0.00 H new ATOM 0 HG22 THR A 35 9.104 4.346 -0.300 1.00 0.00 H new ATOM 0 HG23 THR A 35 7.771 3.273 -0.788 1.00 0.00 H new ATOM 490 N ASN A 36 5.050 6.952 -1.504 1.00 0.00 N ATOM 491 CA ASN A 36 4.275 8.111 -1.933 1.00 0.00 C ATOM 492 C ASN A 36 2.863 7.702 -2.338 1.00 0.00 C ATOM 493 O ASN A 36 2.540 6.515 -2.386 1.00 0.00 O ATOM 494 CB ASN A 36 4.971 8.812 -3.102 1.00 0.00 C ATOM 495 CG ASN A 36 6.019 9.805 -2.639 1.00 0.00 C ATOM 496 OD1 ASN A 36 5.699 10.817 -2.016 1.00 0.00 O ATOM 497 ND2 ASN A 36 7.280 9.520 -2.944 1.00 0.00 N ATOM 0 H ASN A 36 4.783 6.076 -1.953 1.00 0.00 H new ATOM 0 HA ASN A 36 4.206 8.802 -1.093 1.00 0.00 H new ATOM 0 HB2 ASN A 36 5.440 8.065 -3.743 1.00 0.00 H new ATOM 0 HB3 ASN A 36 4.227 9.329 -3.707 1.00 0.00 H new ATOM 0 HD21 ASN A 36 8.029 10.152 -2.660 1.00 0.00 H new ATOM 0 HD22 ASN A 36 7.500 8.669 -3.462 1.00 0.00 H new ATOM 504 N GLN A 37 2.026 8.692 -2.629 1.00 0.00 N ATOM 505 CA GLN A 37 0.648 8.435 -3.031 1.00 0.00 C ATOM 506 C GLN A 37 0.313 9.165 -4.327 1.00 0.00 C ATOM 507 O GLN A 37 0.636 10.343 -4.488 1.00 0.00 O ATOM 508 CB GLN A 37 -0.317 8.865 -1.924 1.00 0.00 C ATOM 509 CG GLN A 37 -1.778 8.825 -2.342 1.00 0.00 C ATOM 510 CD GLN A 37 -2.671 9.631 -1.419 1.00 0.00 C ATOM 511 OE1 GLN A 37 -2.224 10.584 -0.780 1.00 0.00 O ATOM 512 NE2 GLN A 37 -3.941 9.251 -1.344 1.00 0.00 N ATOM 0 H GLN A 37 2.278 9.680 -2.594 1.00 0.00 H new ATOM 0 HA GLN A 37 0.540 7.364 -3.202 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -0.177 8.216 -1.059 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -0.066 9.877 -1.607 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -1.872 9.208 -3.358 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -2.119 7.790 -2.359 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -4.268 8.455 -1.892 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -4.589 9.755 -0.739 1.00 0.00 H new ATOM 521 N ILE A 38 -0.336 8.460 -5.247 1.00 0.00 N ATOM 522 CA ILE A 38 -0.715 9.043 -6.528 1.00 0.00 C ATOM 523 C ILE A 38 -2.211 9.334 -6.578 1.00 0.00 C ATOM 524 O ILE A 38 -2.631 10.406 -7.014 1.00 0.00 O ATOM 525 CB ILE A 38 -0.345 8.115 -7.700 1.00 0.00 C ATOM 526 CG1 ILE A 38 1.175 7.976 -7.809 1.00 0.00 C ATOM 527 CG2 ILE A 38 -0.928 8.647 -9.001 1.00 0.00 C ATOM 528 CD1 ILE A 38 1.736 6.828 -6.999 1.00 0.00 C ATOM 0 H ILE A 38 -0.610 7.485 -5.129 1.00 0.00 H new ATOM 0 HA ILE A 38 -0.162 9.977 -6.626 1.00 0.00 H new ATOM 0 HB ILE A 38 -0.769 7.129 -7.511 1.00 0.00 H new ATOM 0 HG12 ILE A 38 1.445 7.838 -8.856 1.00 0.00 H new ATOM 0 HG13 ILE A 38 1.641 8.905 -7.480 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -0.658 7.980 -9.820 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -2.014 8.699 -8.919 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -0.531 9.643 -9.197 1.00 0.00 H new ATOM 0 HD11 ILE A 38 2.818 6.790 -7.124 1.00 0.00 H new ATOM 0 HD12 ILE A 38 1.497 6.975 -5.946 1.00 0.00 H new ATOM 0 HD13 ILE A 38 1.298 5.891 -7.343 1.00 0.00 H new ATOM 540 N ASP A 39 -3.011 8.374 -6.128 1.00 0.00 N ATOM 541 CA ASP A 39 -4.461 8.528 -6.118 1.00 0.00 C ATOM 542 C ASP A 39 -4.971 8.781 -4.703 1.00 0.00 C ATOM 543 O ASP A 39 -4.189 8.856 -3.756 1.00 0.00 O ATOM 544 CB ASP A 39 -5.131 7.282 -6.700 1.00 0.00 C ATOM 545 CG ASP A 39 -4.403 6.748 -7.918 1.00 0.00 C ATOM 546 OD1 ASP A 39 -3.999 7.564 -8.773 1.00 0.00 O ATOM 547 OD2 ASP A 39 -4.237 5.514 -8.016 1.00 0.00 O ATOM 0 H ASP A 39 -2.680 7.480 -5.765 1.00 0.00 H new ATOM 0 HA ASP A 39 -4.715 9.390 -6.735 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -5.173 6.505 -5.936 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -6.160 7.519 -6.970 1.00 0.00 H new ATOM 552 N GLU A 40 -6.287 8.914 -4.569 1.00 0.00 N ATOM 553 CA GLU A 40 -6.900 9.161 -3.269 1.00 0.00 C ATOM 554 C GLU A 40 -7.208 7.848 -2.554 1.00 0.00 C ATOM 555 O GLU A 40 -7.485 7.832 -1.356 1.00 0.00 O ATOM 556 CB GLU A 40 -8.183 9.978 -3.433 1.00 0.00 C ATOM 557 CG GLU A 40 -8.612 10.699 -2.166 1.00 0.00 C ATOM 558 CD GLU A 40 -9.834 11.572 -2.376 1.00 0.00 C ATOM 559 OE1 GLU A 40 -9.879 12.296 -3.393 1.00 0.00 O ATOM 560 OE2 GLU A 40 -10.746 11.530 -1.524 1.00 0.00 O ATOM 0 H GLU A 40 -6.948 8.855 -5.343 1.00 0.00 H new ATOM 0 HA GLU A 40 -6.192 9.727 -2.664 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -8.038 10.711 -4.227 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -8.987 9.316 -3.754 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -8.824 9.965 -1.389 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -7.788 11.315 -1.806 1.00 0.00 H new ATOM 567 N ASN A 41 -7.159 6.749 -3.300 1.00 0.00 N ATOM 568 CA ASN A 41 -7.434 5.432 -2.739 1.00 0.00 C ATOM 569 C ASN A 41 -6.320 4.449 -3.088 1.00 0.00 C ATOM 570 O ASN A 41 -6.439 3.248 -2.844 1.00 0.00 O ATOM 571 CB ASN A 41 -8.775 4.905 -3.254 1.00 0.00 C ATOM 572 CG ASN A 41 -9.943 5.369 -2.405 1.00 0.00 C ATOM 573 OD1 ASN A 41 -9.841 5.451 -1.181 1.00 0.00 O ATOM 574 ND2 ASN A 41 -11.060 5.676 -3.054 1.00 0.00 N ATOM 0 H ASN A 41 -6.931 6.745 -4.294 1.00 0.00 H new ATOM 0 HA ASN A 41 -7.482 5.529 -1.654 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -8.922 5.237 -4.282 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -8.752 3.815 -3.271 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -11.879 5.995 -2.537 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -11.099 5.593 -4.070 1.00 0.00 H new ATOM 581 N TRP A 42 -5.239 4.967 -3.659 1.00 0.00 N ATOM 582 CA TRP A 42 -4.104 4.135 -4.041 1.00 0.00 C ATOM 583 C TRP A 42 -2.817 4.642 -3.401 1.00 0.00 C ATOM 584 O TRP A 42 -2.650 5.844 -3.188 1.00 0.00 O ATOM 585 CB TRP A 42 -3.954 4.108 -5.563 1.00 0.00 C ATOM 586 CG TRP A 42 -5.186 3.634 -6.273 1.00 0.00 C ATOM 587 CD1 TRP A 42 -6.406 4.247 -6.295 1.00 0.00 C ATOM 588 CD2 TRP A 42 -5.317 2.446 -7.062 1.00 0.00 C ATOM 589 NE1 TRP A 42 -7.288 3.512 -7.050 1.00 0.00 N ATOM 590 CE2 TRP A 42 -6.644 2.403 -7.532 1.00 0.00 C ATOM 591 CE3 TRP A 42 -4.443 1.417 -7.418 1.00 0.00 C ATOM 592 CZ2 TRP A 42 -7.115 1.370 -8.338 1.00 0.00 C ATOM 593 CZ3 TRP A 42 -4.911 0.392 -8.218 1.00 0.00 C ATOM 594 CH2 TRP A 42 -6.237 0.374 -8.671 1.00 0.00 C ATOM 0 H TRP A 42 -5.124 5.959 -3.868 1.00 0.00 H new ATOM 0 HA TRP A 42 -4.292 3.123 -3.683 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -3.704 5.109 -5.914 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -3.119 3.459 -5.827 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -6.643 5.173 -5.793 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -8.264 3.753 -7.223 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -3.419 1.422 -7.074 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -8.137 1.355 -8.688 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -4.243 -0.409 -8.499 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -6.573 -0.441 -9.295 1.00 0.00 H new ATOM 605 N TYR A 43 -1.910 3.721 -3.095 1.00 0.00 N ATOM 606 CA TYR A 43 -0.639 4.076 -2.476 1.00 0.00 C ATOM 607 C TYR A 43 0.534 3.615 -3.336 1.00 0.00 C ATOM 608 O TYR A 43 0.364 2.820 -4.260 1.00 0.00 O ATOM 609 CB TYR A 43 -0.536 3.457 -1.081 1.00 0.00 C ATOM 610 CG TYR A 43 -1.229 4.266 -0.007 1.00 0.00 C ATOM 611 CD1 TYR A 43 -1.060 5.643 0.071 1.00 0.00 C ATOM 612 CD2 TYR A 43 -2.052 3.653 0.929 1.00 0.00 C ATOM 613 CE1 TYR A 43 -1.690 6.385 1.051 1.00 0.00 C ATOM 614 CE2 TYR A 43 -2.688 4.387 1.911 1.00 0.00 C ATOM 615 CZ TYR A 43 -2.503 5.753 1.968 1.00 0.00 C ATOM 616 OH TYR A 43 -3.134 6.489 2.945 1.00 0.00 O ATOM 0 H TYR A 43 -2.032 2.723 -3.266 1.00 0.00 H new ATOM 0 HA TYR A 43 -0.598 5.162 -2.389 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -0.966 2.456 -1.104 1.00 0.00 H new ATOM 0 HB3 TYR A 43 0.516 3.346 -0.819 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -0.425 6.141 -0.647 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -2.197 2.584 0.888 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -1.547 7.454 1.099 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -3.326 3.895 2.630 1.00 0.00 H new ATOM 0 HH TYR A 43 -3.844 5.951 3.353 1.00 0.00 H new ATOM 626 N GLU A 44 1.723 4.121 -3.025 1.00 0.00 N ATOM 627 CA GLU A 44 2.924 3.762 -3.769 1.00 0.00 C ATOM 628 C GLU A 44 3.967 3.134 -2.849 1.00 0.00 C ATOM 629 O GLU A 44 4.427 3.761 -1.895 1.00 0.00 O ATOM 630 CB GLU A 44 3.512 4.995 -4.459 1.00 0.00 C ATOM 631 CG GLU A 44 4.254 4.677 -5.746 1.00 0.00 C ATOM 632 CD GLU A 44 5.160 5.808 -6.192 1.00 0.00 C ATOM 633 OE1 GLU A 44 4.770 6.983 -6.023 1.00 0.00 O ATOM 634 OE2 GLU A 44 6.259 5.519 -6.709 1.00 0.00 O ATOM 0 H GLU A 44 1.880 4.781 -2.263 1.00 0.00 H new ATOM 0 HA GLU A 44 2.645 3.030 -4.527 1.00 0.00 H new ATOM 0 HB2 GLU A 44 2.707 5.697 -4.678 1.00 0.00 H new ATOM 0 HB3 GLU A 44 4.193 5.496 -3.771 1.00 0.00 H new ATOM 0 HG2 GLU A 44 4.849 3.774 -5.605 1.00 0.00 H new ATOM 0 HG3 GLU A 44 3.532 4.463 -6.534 1.00 0.00 H new ATOM 641 N GLY A 45 4.336 1.891 -3.144 1.00 0.00 N ATOM 642 CA GLY A 45 5.322 1.198 -2.334 1.00 0.00 C ATOM 643 C GLY A 45 6.171 0.242 -3.147 1.00 0.00 C ATOM 644 O GLY A 45 5.980 0.104 -4.355 1.00 0.00 O ATOM 0 H GLY A 45 3.970 1.352 -3.929 1.00 0.00 H new ATOM 0 HA2 GLY A 45 5.968 1.930 -1.848 1.00 0.00 H new ATOM 0 HA3 GLY A 45 4.815 0.646 -1.543 1.00 0.00 H new ATOM 648 N MET A 46 7.114 -0.419 -2.484 1.00 0.00 N ATOM 649 CA MET A 46 7.997 -1.368 -3.153 1.00 0.00 C ATOM 650 C MET A 46 7.761 -2.785 -2.641 1.00 0.00 C ATOM 651 O MET A 46 7.927 -3.062 -1.453 1.00 0.00 O ATOM 652 CB MET A 46 9.460 -0.973 -2.941 1.00 0.00 C ATOM 653 CG MET A 46 9.999 -0.040 -4.013 1.00 0.00 C ATOM 654 SD MET A 46 11.344 1.001 -3.415 1.00 0.00 S ATOM 655 CE MET A 46 12.267 -0.172 -2.425 1.00 0.00 C ATOM 0 H MET A 46 7.287 -0.315 -1.484 1.00 0.00 H new ATOM 0 HA MET A 46 7.773 -1.345 -4.219 1.00 0.00 H new ATOM 0 HB2 MET A 46 9.561 -0.492 -1.968 1.00 0.00 H new ATOM 0 HB3 MET A 46 10.071 -1.875 -2.915 1.00 0.00 H new ATOM 0 HG2 MET A 46 10.350 -0.630 -4.860 1.00 0.00 H new ATOM 0 HG3 MET A 46 9.190 0.593 -4.379 1.00 0.00 H new ATOM 0 HE1 MET A 46 13.289 0.185 -2.297 1.00 0.00 H new ATOM 0 HE2 MET A 46 11.794 -0.276 -1.449 1.00 0.00 H new ATOM 0 HE3 MET A 46 12.281 -1.140 -2.926 1.00 0.00 H new ATOM 665 N LEU A 47 7.373 -3.678 -3.545 1.00 0.00 N ATOM 666 CA LEU A 47 7.114 -5.068 -3.184 1.00 0.00 C ATOM 667 C LEU A 47 7.759 -6.020 -4.186 1.00 0.00 C ATOM 668 O LEU A 47 7.521 -5.925 -5.390 1.00 0.00 O ATOM 669 CB LEU A 47 5.607 -5.325 -3.115 1.00 0.00 C ATOM 670 CG LEU A 47 5.178 -6.613 -2.411 1.00 0.00 C ATOM 671 CD1 LEU A 47 5.567 -6.573 -0.941 1.00 0.00 C ATOM 672 CD2 LEU A 47 3.679 -6.829 -2.562 1.00 0.00 C ATOM 0 H LEU A 47 7.231 -3.465 -4.532 1.00 0.00 H new ATOM 0 HA LEU A 47 7.553 -5.251 -2.203 1.00 0.00 H new ATOM 0 HB2 LEU A 47 5.138 -4.483 -2.606 1.00 0.00 H new ATOM 0 HB3 LEU A 47 5.215 -5.342 -4.132 1.00 0.00 H new ATOM 0 HG LEU A 47 5.695 -7.450 -2.880 1.00 0.00 H new ATOM 0 HD11 LEU A 47 5.254 -7.498 -0.456 1.00 0.00 H new ATOM 0 HD12 LEU A 47 6.648 -6.466 -0.854 1.00 0.00 H new ATOM 0 HD13 LEU A 47 5.078 -5.727 -0.458 1.00 0.00 H new ATOM 0 HD21 LEU A 47 3.391 -7.750 -2.055 1.00 0.00 H new ATOM 0 HD22 LEU A 47 3.144 -5.989 -2.119 1.00 0.00 H new ATOM 0 HD23 LEU A 47 3.427 -6.903 -3.620 1.00 0.00 H new ATOM 684 N HIS A 48 8.575 -6.939 -3.680 1.00 0.00 N ATOM 685 CA HIS A 48 9.253 -7.911 -4.531 1.00 0.00 C ATOM 686 C HIS A 48 9.957 -7.218 -5.694 1.00 0.00 C ATOM 687 O HIS A 48 9.898 -7.680 -6.832 1.00 0.00 O ATOM 688 CB HIS A 48 8.253 -8.938 -5.064 1.00 0.00 C ATOM 689 CG HIS A 48 7.964 -10.049 -4.102 1.00 0.00 C ATOM 690 ND1 HIS A 48 8.363 -11.352 -4.314 1.00 0.00 N ATOM 691 CD2 HIS A 48 7.313 -10.045 -2.915 1.00 0.00 C ATOM 692 CE1 HIS A 48 7.968 -12.101 -3.301 1.00 0.00 C ATOM 693 NE2 HIS A 48 7.329 -11.332 -2.437 1.00 0.00 N ATOM 0 H HIS A 48 8.783 -7.031 -2.686 1.00 0.00 H new ATOM 0 HA HIS A 48 10.003 -8.423 -3.929 1.00 0.00 H new ATOM 0 HB2 HIS A 48 7.320 -8.430 -5.311 1.00 0.00 H new ATOM 0 HB3 HIS A 48 8.640 -9.362 -5.991 1.00 0.00 H new ATOM 0 HD2 HIS A 48 6.864 -9.189 -2.434 1.00 0.00 H new ATOM 0 HE1 HIS A 48 8.138 -13.162 -3.196 1.00 0.00 H new ATOM 0 HE2 HIS A 48 6.915 -11.644 -1.558 1.00 0.00 H new ATOM 702 N GLY A 49 10.622 -6.106 -5.398 1.00 0.00 N ATOM 703 CA GLY A 49 11.327 -5.367 -6.429 1.00 0.00 C ATOM 704 C GLY A 49 10.393 -4.811 -7.485 1.00 0.00 C ATOM 705 O GLY A 49 10.811 -4.528 -8.608 1.00 0.00 O ATOM 0 H GLY A 49 10.685 -5.704 -4.463 1.00 0.00 H new ATOM 0 HA2 GLY A 49 11.881 -4.548 -5.970 1.00 0.00 H new ATOM 0 HA3 GLY A 49 12.059 -6.020 -6.904 1.00 0.00 H new ATOM 709 N HIS A 50 9.123 -4.654 -7.126 1.00 0.00 N ATOM 710 CA HIS A 50 8.125 -4.129 -8.052 1.00 0.00 C ATOM 711 C HIS A 50 7.503 -2.846 -7.511 1.00 0.00 C ATOM 712 O HIS A 50 7.037 -2.803 -6.372 1.00 0.00 O ATOM 713 CB HIS A 50 7.036 -5.171 -8.306 1.00 0.00 C ATOM 714 CG HIS A 50 7.533 -6.402 -8.999 1.00 0.00 C ATOM 715 ND1 HIS A 50 7.859 -7.622 -8.512 1.00 0.00 N flip ATOM 716 CD2 HIS A 50 7.750 -6.464 -10.360 1.00 0.00 C flip ATOM 717 CE1 HIS A 50 8.261 -8.391 -9.576 1.00 0.00 C flip ATOM 718 NE2 HIS A 50 8.186 -7.669 -10.679 1.00 0.00 N flip ATOM 0 H HIS A 50 8.760 -4.883 -6.201 1.00 0.00 H new ATOM 0 HA HIS A 50 8.624 -3.900 -8.994 1.00 0.00 H new ATOM 0 HB2 HIS A 50 6.589 -5.456 -7.354 1.00 0.00 H new ATOM 0 HB3 HIS A 50 6.246 -4.720 -8.907 1.00 0.00 H new ATOM 0 HD1 HIS A 50 7.814 -7.915 -7.536 1.00 0.00 H new ATOM 0 HD2 HIS A 50 7.589 -5.654 -11.056 1.00 0.00 H new ATOM 0 HE1 HIS A 50 8.586 -9.419 -9.520 1.00 0.00 H new ATOM 727 N SER A 51 7.500 -1.802 -8.333 1.00 0.00 N ATOM 728 CA SER A 51 6.939 -0.516 -7.935 1.00 0.00 C ATOM 729 C SER A 51 5.612 -0.259 -8.643 1.00 0.00 C ATOM 730 O SER A 51 5.576 -0.018 -9.849 1.00 0.00 O ATOM 731 CB SER A 51 7.924 0.612 -8.247 1.00 0.00 C ATOM 732 OG SER A 51 8.289 0.606 -9.616 1.00 0.00 O ATOM 0 H SER A 51 7.880 -1.821 -9.279 1.00 0.00 H new ATOM 0 HA SER A 51 6.758 -0.543 -6.861 1.00 0.00 H new ATOM 0 HB2 SER A 51 7.475 1.572 -7.991 1.00 0.00 H new ATOM 0 HB3 SER A 51 8.815 0.502 -7.629 1.00 0.00 H new ATOM 0 HG SER A 51 7.504 0.393 -10.163 1.00 0.00 H new ATOM 738 N GLY A 52 4.522 -0.313 -7.883 1.00 0.00 N ATOM 739 CA GLY A 52 3.208 -0.085 -8.454 1.00 0.00 C ATOM 740 C GLY A 52 2.243 0.530 -7.460 1.00 0.00 C ATOM 741 O GLY A 52 2.616 0.830 -6.326 1.00 0.00 O ATOM 0 H GLY A 52 4.526 -0.511 -6.882 1.00 0.00 H new ATOM 0 HA2 GLY A 52 3.300 0.571 -9.320 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.802 -1.031 -8.813 1.00 0.00 H new ATOM 745 N PHE A 53 0.999 0.720 -7.886 1.00 0.00 N ATOM 746 CA PHE A 53 -0.023 1.307 -7.026 1.00 0.00 C ATOM 747 C PHE A 53 -1.040 0.255 -6.595 1.00 0.00 C ATOM 748 O PHE A 53 -1.469 -0.576 -7.397 1.00 0.00 O ATOM 749 CB PHE A 53 -0.732 2.453 -7.749 1.00 0.00 C ATOM 750 CG PHE A 53 0.141 3.168 -8.741 1.00 0.00 C ATOM 751 CD1 PHE A 53 1.385 3.650 -8.368 1.00 0.00 C ATOM 752 CD2 PHE A 53 -0.283 3.357 -10.047 1.00 0.00 C ATOM 753 CE1 PHE A 53 2.189 4.308 -9.278 1.00 0.00 C ATOM 754 CE2 PHE A 53 0.518 4.014 -10.962 1.00 0.00 C ATOM 755 CZ PHE A 53 1.756 4.490 -10.577 1.00 0.00 C ATOM 0 H PHE A 53 0.674 0.476 -8.821 1.00 0.00 H new ATOM 0 HA PHE A 53 0.468 1.698 -6.135 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.608 2.060 -8.265 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -1.092 3.170 -7.011 1.00 0.00 H new ATOM 0 HD1 PHE A 53 1.730 3.510 -7.354 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -1.250 2.987 -10.353 1.00 0.00 H new ATOM 0 HE1 PHE A 53 3.156 4.680 -8.974 1.00 0.00 H new ATOM 0 HE2 PHE A 53 0.176 4.155 -11.977 1.00 0.00 H new ATOM 0 HZ PHE A 53 2.384 5.003 -11.290 1.00 0.00 H new ATOM 765 N PHE A 54 -1.423 0.296 -5.323 1.00 0.00 N ATOM 766 CA PHE A 54 -2.389 -0.654 -4.784 1.00 0.00 C ATOM 767 C PHE A 54 -3.524 0.072 -4.068 1.00 0.00 C ATOM 768 O PHE A 54 -3.348 1.155 -3.510 1.00 0.00 O ATOM 769 CB PHE A 54 -1.701 -1.623 -3.821 1.00 0.00 C ATOM 770 CG PHE A 54 -0.855 -0.939 -2.785 1.00 0.00 C ATOM 771 CD1 PHE A 54 0.366 -0.380 -3.127 1.00 0.00 C ATOM 772 CD2 PHE A 54 -1.281 -0.856 -1.469 1.00 0.00 C ATOM 773 CE1 PHE A 54 1.146 0.250 -2.176 1.00 0.00 C ATOM 774 CE2 PHE A 54 -0.505 -0.227 -0.514 1.00 0.00 C ATOM 775 CZ PHE A 54 0.710 0.326 -0.868 1.00 0.00 C ATOM 0 H PHE A 54 -1.079 0.977 -4.646 1.00 0.00 H new ATOM 0 HA PHE A 54 -2.810 -1.218 -5.617 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -2.459 -2.224 -3.320 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -1.077 -2.309 -4.393 1.00 0.00 H new ATOM 0 HD1 PHE A 54 0.712 -0.437 -4.148 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -2.230 -1.288 -1.187 1.00 0.00 H new ATOM 0 HE1 PHE A 54 2.095 0.682 -2.455 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -0.848 -0.168 0.508 1.00 0.00 H new ATOM 0 HZ PHE A 54 1.318 0.817 -0.123 1.00 0.00 H new ATOM 785 N PRO A 55 -4.719 -0.538 -4.084 1.00 0.00 N ATOM 786 CA PRO A 55 -5.907 0.031 -3.441 1.00 0.00 C ATOM 787 C PRO A 55 -5.807 0.012 -1.919 1.00 0.00 C ATOM 788 O PRO A 55 -5.199 -0.887 -1.339 1.00 0.00 O ATOM 789 CB PRO A 55 -7.039 -0.883 -3.914 1.00 0.00 C ATOM 790 CG PRO A 55 -6.374 -2.180 -4.225 1.00 0.00 C ATOM 791 CD PRO A 55 -5.002 -1.831 -4.730 1.00 0.00 C ATOM 0 HA PRO A 55 -6.050 1.079 -3.703 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -7.799 -1.003 -3.142 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -7.538 -0.473 -4.792 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -6.315 -2.811 -3.338 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -6.936 -2.737 -4.975 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -4.268 -2.588 -4.453 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -4.982 -1.750 -5.817 1.00 0.00 H new ATOM 799 N ILE A 56 -6.409 1.010 -1.279 1.00 0.00 N ATOM 800 CA ILE A 56 -6.389 1.106 0.175 1.00 0.00 C ATOM 801 C ILE A 56 -7.608 0.425 0.788 1.00 0.00 C ATOM 802 O ILE A 56 -7.684 0.242 2.002 1.00 0.00 O ATOM 803 CB ILE A 56 -6.345 2.573 0.642 1.00 0.00 C ATOM 804 CG1 ILE A 56 -5.183 3.309 -0.028 1.00 0.00 C ATOM 805 CG2 ILE A 56 -6.220 2.643 2.157 1.00 0.00 C ATOM 806 CD1 ILE A 56 -5.291 4.816 0.061 1.00 0.00 C ATOM 0 H ILE A 56 -6.916 1.763 -1.745 1.00 0.00 H new ATOM 0 HA ILE A 56 -5.485 0.599 0.512 1.00 0.00 H new ATOM 0 HB ILE A 56 -7.276 3.060 0.351 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -4.248 2.992 0.434 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -5.135 3.017 -1.077 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -6.190 3.686 2.472 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -7.077 2.150 2.616 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -5.303 2.143 2.470 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -4.434 5.272 -0.435 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -6.209 5.144 -0.426 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -5.308 5.118 1.108 1.00 0.00 H new ATOM 818 N ASN A 57 -8.560 0.052 -0.062 1.00 0.00 N ATOM 819 CA ASN A 57 -9.776 -0.611 0.396 1.00 0.00 C ATOM 820 C ASN A 57 -9.502 -2.070 0.747 1.00 0.00 C ATOM 821 O ASN A 57 -10.397 -2.792 1.186 1.00 0.00 O ATOM 822 CB ASN A 57 -10.861 -0.528 -0.679 1.00 0.00 C ATOM 823 CG ASN A 57 -12.259 -0.555 -0.092 1.00 0.00 C ATOM 824 OD1 ASN A 57 -12.639 0.329 0.676 1.00 0.00 O ATOM 825 ND2 ASN A 57 -13.033 -1.572 -0.453 1.00 0.00 N ATOM 0 H ASN A 57 -8.513 0.197 -1.070 1.00 0.00 H new ATOM 0 HA ASN A 57 -10.123 -0.100 1.294 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -10.729 0.388 -1.255 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -10.745 -1.360 -1.373 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -13.984 -1.643 -0.091 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -12.676 -2.282 -1.092 1.00 0.00 H new ATOM 832 N TYR A 58 -8.259 -2.496 0.552 1.00 0.00 N ATOM 833 CA TYR A 58 -7.867 -3.869 0.846 1.00 0.00 C ATOM 834 C TYR A 58 -6.815 -3.910 1.951 1.00 0.00 C ATOM 835 O TYR A 58 -6.693 -4.901 2.672 1.00 0.00 O ATOM 836 CB TYR A 58 -7.327 -4.548 -0.413 1.00 0.00 C ATOM 837 CG TYR A 58 -8.399 -5.203 -1.255 1.00 0.00 C ATOM 838 CD1 TYR A 58 -9.281 -6.122 -0.701 1.00 0.00 C ATOM 839 CD2 TYR A 58 -8.530 -4.900 -2.605 1.00 0.00 C ATOM 840 CE1 TYR A 58 -10.261 -6.723 -1.467 1.00 0.00 C ATOM 841 CE2 TYR A 58 -9.508 -5.495 -3.378 1.00 0.00 C ATOM 842 CZ TYR A 58 -10.371 -6.406 -2.805 1.00 0.00 C ATOM 843 OH TYR A 58 -11.347 -7.001 -3.571 1.00 0.00 O ATOM 0 H TYR A 58 -7.506 -1.910 0.192 1.00 0.00 H new ATOM 0 HA TYR A 58 -8.751 -4.407 1.190 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -6.803 -3.808 -1.018 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -6.594 -5.301 -0.124 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -9.199 -6.371 0.347 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -7.856 -4.188 -3.057 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -10.937 -7.437 -1.021 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -9.597 -5.248 -4.426 1.00 0.00 H new ATOM 0 HH TYR A 58 -11.289 -6.668 -4.491 1.00 0.00 H new ATOM 853 N VAL A 59 -6.056 -2.826 2.077 1.00 0.00 N ATOM 854 CA VAL A 59 -5.015 -2.736 3.094 1.00 0.00 C ATOM 855 C VAL A 59 -5.330 -1.641 4.107 1.00 0.00 C ATOM 856 O VAL A 59 -6.028 -0.676 3.796 1.00 0.00 O ATOM 857 CB VAL A 59 -3.638 -2.456 2.464 1.00 0.00 C ATOM 858 CG1 VAL A 59 -3.227 -3.600 1.549 1.00 0.00 C ATOM 859 CG2 VAL A 59 -3.657 -1.137 1.707 1.00 0.00 C ATOM 0 H VAL A 59 -6.143 -1.998 1.488 1.00 0.00 H new ATOM 0 HA VAL A 59 -4.985 -3.700 3.602 1.00 0.00 H new ATOM 0 HB VAL A 59 -2.901 -2.379 3.263 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -2.252 -3.385 1.113 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -3.171 -4.524 2.124 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -3.963 -3.712 0.753 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -2.676 -0.955 1.268 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -4.405 -1.182 0.916 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -3.903 -0.327 2.394 1.00 0.00 H new ATOM 869 N GLU A 60 -4.810 -1.798 5.321 1.00 0.00 N ATOM 870 CA GLU A 60 -5.037 -0.821 6.380 1.00 0.00 C ATOM 871 C GLU A 60 -3.766 -0.028 6.669 1.00 0.00 C ATOM 872 O GLU A 60 -2.665 -0.580 6.676 1.00 0.00 O ATOM 873 CB GLU A 60 -5.516 -1.520 7.654 1.00 0.00 C ATOM 874 CG GLU A 60 -6.166 -0.581 8.656 1.00 0.00 C ATOM 875 CD GLU A 60 -6.936 -1.319 9.733 1.00 0.00 C ATOM 876 OE1 GLU A 60 -7.963 -1.949 9.404 1.00 0.00 O ATOM 877 OE2 GLU A 60 -6.511 -1.266 10.907 1.00 0.00 O ATOM 0 H GLU A 60 -4.230 -2.591 5.595 1.00 0.00 H new ATOM 0 HA GLU A 60 -5.808 -0.128 6.042 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -6.228 -2.300 7.385 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -4.668 -2.013 8.128 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -5.397 0.035 9.122 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -6.841 0.094 8.130 1.00 0.00 H new ATOM 884 N ILE A 61 -3.927 1.269 6.907 1.00 0.00 N ATOM 885 CA ILE A 61 -2.793 2.139 7.198 1.00 0.00 C ATOM 886 C ILE A 61 -2.576 2.275 8.701 1.00 0.00 C ATOM 887 O ILE A 61 -3.311 2.991 9.383 1.00 0.00 O ATOM 888 CB ILE A 61 -2.988 3.540 6.589 1.00 0.00 C ATOM 889 CG1 ILE A 61 -3.021 3.457 5.062 1.00 0.00 C ATOM 890 CG2 ILE A 61 -1.882 4.476 7.050 1.00 0.00 C ATOM 891 CD1 ILE A 61 -1.940 2.572 4.482 1.00 0.00 C ATOM 0 H ILE A 61 -4.831 1.741 6.904 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.915 1.675 6.748 1.00 0.00 H new ATOM 0 HB ILE A 61 -3.942 3.939 6.933 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -3.995 3.081 4.748 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.918 4.461 4.649 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -2.034 5.462 6.611 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -1.902 4.555 8.137 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -0.916 4.082 6.733 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -2.024 2.560 3.395 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.961 2.959 4.766 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -2.055 1.558 4.866 1.00 0.00 H new ATOM 903 N LEU A 62 -1.562 1.586 9.211 1.00 0.00 N ATOM 904 CA LEU A 62 -1.246 1.631 10.635 1.00 0.00 C ATOM 905 C LEU A 62 -0.476 2.901 10.981 1.00 0.00 C ATOM 906 O LEU A 62 -0.722 3.527 12.012 1.00 0.00 O ATOM 907 CB LEU A 62 -0.430 0.400 11.035 1.00 0.00 C ATOM 908 CG LEU A 62 -1.013 -0.953 10.628 1.00 0.00 C ATOM 909 CD1 LEU A 62 -0.025 -2.071 10.924 1.00 0.00 C ATOM 910 CD2 LEU A 62 -2.333 -1.203 11.343 1.00 0.00 C ATOM 0 H LEU A 62 -0.944 0.989 8.661 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.183 1.634 11.191 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.565 0.491 10.598 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.305 0.408 12.118 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.202 -0.937 9.555 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.457 -3.027 10.628 1.00 0.00 H new ATOM 0 HD12 LEU A 62 0.895 -1.900 10.366 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.196 -2.088 11.991 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.733 -2.171 11.041 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.170 -1.198 12.421 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -3.043 -0.419 11.080 1.00 0.00 H new ATOM 922 N VAL A 63 0.457 3.277 10.112 1.00 0.00 N ATOM 923 CA VAL A 63 1.262 4.474 10.324 1.00 0.00 C ATOM 924 C VAL A 63 1.017 5.502 9.225 1.00 0.00 C ATOM 925 O VAL A 63 1.417 5.306 8.078 1.00 0.00 O ATOM 926 CB VAL A 63 2.764 4.139 10.374 1.00 0.00 C ATOM 927 CG1 VAL A 63 3.594 5.413 10.429 1.00 0.00 C ATOM 928 CG2 VAL A 63 3.071 3.242 11.563 1.00 0.00 C ATOM 0 H VAL A 63 0.674 2.770 9.254 1.00 0.00 H new ATOM 0 HA VAL A 63 0.960 4.893 11.284 1.00 0.00 H new ATOM 0 HB VAL A 63 3.028 3.600 9.464 1.00 0.00 H new ATOM 0 HG11 VAL A 63 4.653 5.156 10.464 1.00 0.00 H new ATOM 0 HG12 VAL A 63 3.396 6.015 9.542 1.00 0.00 H new ATOM 0 HG13 VAL A 63 3.329 5.982 11.320 1.00 0.00 H new ATOM 0 HG21 VAL A 63 4.137 3.016 11.582 1.00 0.00 H new ATOM 0 HG22 VAL A 63 2.792 3.752 12.485 1.00 0.00 H new ATOM 0 HG23 VAL A 63 2.505 2.315 11.475 1.00 0.00 H new ATOM 938 N ALA A 64 0.358 6.599 9.585 1.00 0.00 N ATOM 939 CA ALA A 64 0.063 7.660 8.629 1.00 0.00 C ATOM 940 C ALA A 64 1.344 8.303 8.110 1.00 0.00 C ATOM 941 O ALA A 64 2.208 8.708 8.889 1.00 0.00 O ATOM 942 CB ALA A 64 -0.836 8.708 9.267 1.00 0.00 C ATOM 0 H ALA A 64 0.019 6.776 10.530 1.00 0.00 H new ATOM 0 HA ALA A 64 -0.459 7.217 7.780 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -1.049 9.494 8.543 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -1.770 8.243 9.582 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -0.334 9.139 10.134 1.00 0.00 H new ATOM 948 N LEU A 65 1.461 8.395 6.790 1.00 0.00 N ATOM 949 CA LEU A 65 2.638 8.989 6.166 1.00 0.00 C ATOM 950 C LEU A 65 2.979 10.329 6.811 1.00 0.00 C ATOM 951 O LEU A 65 2.119 11.017 7.361 1.00 0.00 O ATOM 952 CB LEU A 65 2.404 9.177 4.666 1.00 0.00 C ATOM 953 CG LEU A 65 2.363 7.899 3.827 1.00 0.00 C ATOM 954 CD1 LEU A 65 1.578 8.127 2.545 1.00 0.00 C ATOM 955 CD2 LEU A 65 3.774 7.422 3.513 1.00 0.00 C ATOM 0 H LEU A 65 0.755 8.066 6.131 1.00 0.00 H new ATOM 0 HA LEU A 65 3.479 8.311 6.314 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.462 9.708 4.529 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.192 9.820 4.274 1.00 0.00 H new ATOM 0 HG LEU A 65 1.859 7.124 4.404 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.560 7.207 1.961 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.558 8.421 2.791 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.053 8.917 1.963 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.726 6.512 2.915 1.00 0.00 H new ATOM 0 HD22 LEU A 65 4.304 8.194 2.955 1.00 0.00 H new ATOM 0 HD23 LEU A 65 4.304 7.218 4.443 1.00 0.00 H new ATOM 967 N PRO A 66 4.263 10.709 6.742 1.00 0.00 N ATOM 968 CA PRO A 66 4.746 11.971 7.312 1.00 0.00 C ATOM 969 C PRO A 66 4.243 13.186 6.540 1.00 0.00 C ATOM 970 O PRO A 66 4.436 14.326 6.963 1.00 0.00 O ATOM 971 CB PRO A 66 6.268 11.854 7.191 1.00 0.00 C ATOM 972 CG PRO A 66 6.487 10.912 6.058 1.00 0.00 C ATOM 973 CD PRO A 66 5.342 9.938 6.102 1.00 0.00 C ATOM 0 HA PRO A 66 4.395 12.118 8.333 1.00 0.00 H new ATOM 0 HB2 PRO A 66 6.725 12.824 6.994 1.00 0.00 H new ATOM 0 HB3 PRO A 66 6.710 11.475 8.112 1.00 0.00 H new ATOM 0 HG2 PRO A 66 6.510 11.444 5.107 1.00 0.00 H new ATOM 0 HG3 PRO A 66 7.442 10.396 6.158 1.00 0.00 H new ATOM 0 HD2 PRO A 66 5.060 9.604 5.103 1.00 0.00 H new ATOM 0 HD3 PRO A 66 5.594 9.047 6.677 1.00 0.00 H new