USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 577 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 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot -15:sc= -1.08 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= 1.25 K(o=1.2,f=-0.074) USER MOD Single : A 22 GLN : amide:sc= -2.42! C(o=-2.4!,f=-3!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -147:sc= 0 (180deg=-0.118) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 160:sc= -0.958 USER MOD Single : A 45 THR OG1 : rot 180:sc= -1.27 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -4.22! C(o=-4.2!,f=-11!) USER MOD Single : A 62 SER OG : rot 180:sc= 0.114 USER MOD Single : A 67 GLN : amide:sc= -0.177 K(o=-0.18,f=-1.7!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= -0.354 X(o=-0.35,f=-0.069) USER MOD ----------------------------------------------------------------- ATOM 48 N GLU A 4 3.425 6.455 -4.642 1.00 0.00 N ATOM 49 CA GLU A 4 2.743 6.804 -5.876 1.00 0.00 C ATOM 50 C GLU A 4 1.284 6.343 -5.826 1.00 0.00 C ATOM 51 O GLU A 4 0.378 7.101 -6.168 1.00 0.00 O ATOM 52 CB GLU A 4 3.464 6.209 -7.088 1.00 0.00 C ATOM 53 CG GLU A 4 3.686 7.268 -8.168 1.00 0.00 C ATOM 54 CD GLU A 4 2.623 7.166 -9.264 1.00 0.00 C ATOM 55 OE1 GLU A 4 1.431 7.303 -8.913 1.00 0.00 O ATOM 56 OE2 GLU A 4 3.026 6.953 -10.428 1.00 0.00 O ATOM 0 HA GLU A 4 2.757 7.889 -5.981 1.00 0.00 H new ATOM 0 HB2 GLU A 4 4.423 5.794 -6.778 1.00 0.00 H new ATOM 0 HB3 GLU A 4 2.878 5.386 -7.496 1.00 0.00 H new ATOM 0 HG2 GLU A 4 3.657 8.261 -7.720 1.00 0.00 H new ATOM 0 HG3 GLU A 4 4.677 7.144 -8.605 1.00 0.00 H new ATOM 63 N GLU A 5 1.104 5.103 -5.396 1.00 0.00 N ATOM 64 CA GLU A 5 -0.229 4.532 -5.296 1.00 0.00 C ATOM 65 C GLU A 5 -1.020 5.223 -4.183 1.00 0.00 C ATOM 66 O GLU A 5 -2.240 5.353 -4.273 1.00 0.00 O ATOM 67 CB GLU A 5 -0.163 3.022 -5.065 1.00 0.00 C ATOM 68 CG GLU A 5 -0.421 2.256 -6.364 1.00 0.00 C ATOM 69 CD GLU A 5 -1.459 1.152 -6.153 1.00 0.00 C ATOM 70 OE1 GLU A 5 -1.445 0.563 -5.050 1.00 0.00 O ATOM 71 OE2 GLU A 5 -2.243 0.922 -7.099 1.00 0.00 O ATOM 0 H GLU A 5 1.858 4.478 -5.113 1.00 0.00 H new ATOM 0 HA GLU A 5 -0.746 4.699 -6.241 1.00 0.00 H new ATOM 0 HB2 GLU A 5 0.816 2.754 -4.669 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -0.900 2.733 -4.316 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -0.769 2.945 -7.134 1.00 0.00 H new ATOM 0 HG3 GLU A 5 0.511 1.820 -6.724 1.00 0.00 H new ATOM 78 N LEU A 6 -0.293 5.649 -3.161 1.00 0.00 N ATOM 79 CA LEU A 6 -0.912 6.323 -2.032 1.00 0.00 C ATOM 80 C LEU A 6 -1.568 7.618 -2.515 1.00 0.00 C ATOM 81 O LEU A 6 -2.675 7.952 -2.094 1.00 0.00 O ATOM 82 CB LEU A 6 0.106 6.531 -0.909 1.00 0.00 C ATOM 83 CG LEU A 6 0.304 5.349 0.043 1.00 0.00 C ATOM 84 CD1 LEU A 6 1.529 5.563 0.935 1.00 0.00 C ATOM 85 CD2 LEU A 6 -0.962 5.086 0.861 1.00 0.00 C ATOM 0 H LEU A 6 0.719 5.541 -3.091 1.00 0.00 H new ATOM 0 HA LEU A 6 -1.702 5.705 -1.605 1.00 0.00 H new ATOM 0 HB2 LEU A 6 1.068 6.775 -1.358 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.201 7.397 -0.323 1.00 0.00 H new ATOM 0 HG LEU A 6 0.492 4.457 -0.554 1.00 0.00 H new ATOM 0 HD11 LEU A 6 1.647 4.709 1.602 1.00 0.00 H new ATOM 0 HD12 LEU A 6 2.419 5.664 0.313 1.00 0.00 H new ATOM 0 HD13 LEU A 6 1.395 6.469 1.526 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -0.794 4.241 1.529 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -1.206 5.971 1.449 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -1.789 4.858 0.188 1.00 0.00 H new ATOM 97 N LYS A 7 -0.857 8.314 -3.390 1.00 0.00 N ATOM 98 CA LYS A 7 -1.356 9.565 -3.935 1.00 0.00 C ATOM 99 C LYS A 7 -2.672 9.307 -4.672 1.00 0.00 C ATOM 100 O LYS A 7 -3.677 9.962 -4.403 1.00 0.00 O ATOM 101 CB LYS A 7 -0.288 10.237 -4.800 1.00 0.00 C ATOM 102 CG LYS A 7 -0.325 11.758 -4.633 1.00 0.00 C ATOM 103 CD LYS A 7 -1.110 12.415 -5.771 1.00 0.00 C ATOM 104 CE LYS A 7 -0.248 13.439 -6.511 1.00 0.00 C ATOM 105 NZ LYS A 7 -1.098 14.478 -7.135 1.00 0.00 N ATOM 0 H LYS A 7 0.061 8.035 -3.735 1.00 0.00 H new ATOM 0 HA LYS A 7 -1.573 10.270 -3.133 1.00 0.00 H new ATOM 0 HB2 LYS A 7 0.697 9.861 -4.525 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -0.447 9.978 -5.847 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -0.783 12.012 -3.677 1.00 0.00 H new ATOM 0 HG3 LYS A 7 0.692 12.150 -4.614 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -1.454 11.651 -6.469 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -1.998 12.904 -5.370 1.00 0.00 H new ATOM 0 HE2 LYS A 7 0.453 13.903 -5.817 1.00 0.00 H new ATOM 0 HE3 LYS A 7 0.345 12.938 -7.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -0.497 15.165 -7.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -1.750 14.033 -7.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -1.646 14.967 -6.398 1.00 0.00 H new ATOM 119 N GLY A 8 -2.622 8.350 -5.587 1.00 0.00 N ATOM 120 CA GLY A 8 -3.798 7.997 -6.365 1.00 0.00 C ATOM 121 C GLY A 8 -4.956 7.588 -5.453 1.00 0.00 C ATOM 122 O GLY A 8 -6.043 8.159 -5.531 1.00 0.00 O ATOM 0 H GLY A 8 -1.786 7.808 -5.807 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -4.098 8.844 -6.982 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -3.558 7.178 -7.043 1.00 0.00 H new ATOM 126 N ILE A 9 -4.685 6.603 -4.610 1.00 0.00 N ATOM 127 CA ILE A 9 -5.691 6.112 -3.684 1.00 0.00 C ATOM 128 C ILE A 9 -6.245 7.283 -2.871 1.00 0.00 C ATOM 129 O ILE A 9 -7.459 7.435 -2.742 1.00 0.00 O ATOM 130 CB ILE A 9 -5.122 4.981 -2.825 1.00 0.00 C ATOM 131 CG1 ILE A 9 -4.976 3.694 -3.639 1.00 0.00 C ATOM 132 CG2 ILE A 9 -5.966 4.770 -1.567 1.00 0.00 C ATOM 133 CD1 ILE A 9 -4.452 2.550 -2.768 1.00 0.00 C ATOM 0 H ILE A 9 -3.783 6.131 -4.549 1.00 0.00 H new ATOM 0 HA ILE A 9 -6.529 5.677 -4.228 1.00 0.00 H new ATOM 0 HB ILE A 9 -4.123 5.270 -2.498 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -5.940 3.418 -4.066 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -4.295 3.862 -4.473 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -5.540 3.961 -0.974 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -5.975 5.686 -0.977 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -6.986 4.513 -1.852 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -4.358 1.647 -3.371 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -3.477 2.819 -2.362 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -5.148 2.368 -1.949 1.00 0.00 H new ATOM 145 N PHE A 10 -5.329 8.081 -2.343 1.00 0.00 N ATOM 146 CA PHE A 10 -5.710 9.234 -1.545 1.00 0.00 C ATOM 147 C PHE A 10 -6.741 10.093 -2.281 1.00 0.00 C ATOM 148 O PHE A 10 -7.819 10.363 -1.753 1.00 0.00 O ATOM 149 CB PHE A 10 -4.443 10.061 -1.320 1.00 0.00 C ATOM 150 CG PHE A 10 -4.710 11.532 -0.992 1.00 0.00 C ATOM 151 CD1 PHE A 10 -4.870 12.434 -1.998 1.00 0.00 C ATOM 152 CD2 PHE A 10 -4.786 11.937 0.304 1.00 0.00 C ATOM 153 CE1 PHE A 10 -5.118 13.799 -1.694 1.00 0.00 C ATOM 154 CE2 PHE A 10 -5.034 13.302 0.607 1.00 0.00 C ATOM 155 CZ PHE A 10 -5.194 14.204 -0.398 1.00 0.00 C ATOM 0 H PHE A 10 -4.323 7.952 -2.452 1.00 0.00 H new ATOM 0 HA PHE A 10 -6.154 8.906 -0.605 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -3.871 9.616 -0.506 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -3.822 10.006 -2.214 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -4.808 12.112 -3.027 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -4.658 11.221 1.102 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -5.246 14.515 -2.492 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -5.096 13.624 1.636 1.00 0.00 H new ATOM 0 HZ PHE A 10 -5.381 15.242 -0.167 1.00 0.00 H new ATOM 165 N GLU A 11 -6.374 10.498 -3.488 1.00 0.00 N ATOM 166 CA GLU A 11 -7.253 11.320 -4.301 1.00 0.00 C ATOM 167 C GLU A 11 -8.547 10.566 -4.612 1.00 0.00 C ATOM 168 O GLU A 11 -9.622 11.162 -4.656 1.00 0.00 O ATOM 169 CB GLU A 11 -6.554 11.764 -5.588 1.00 0.00 C ATOM 170 CG GLU A 11 -6.295 13.272 -5.579 1.00 0.00 C ATOM 171 CD GLU A 11 -6.513 13.873 -6.969 1.00 0.00 C ATOM 172 OE1 GLU A 11 -5.955 13.299 -7.929 1.00 0.00 O ATOM 173 OE2 GLU A 11 -7.231 14.893 -7.040 1.00 0.00 O ATOM 0 H GLU A 11 -5.479 10.272 -3.922 1.00 0.00 H new ATOM 0 HA GLU A 11 -7.505 12.217 -3.736 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -5.610 11.230 -5.696 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -7.169 11.502 -6.449 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -6.959 13.755 -4.862 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -5.274 13.468 -5.250 1.00 0.00 H new ATOM 180 N LYS A 12 -8.402 9.265 -4.820 1.00 0.00 N ATOM 181 CA LYS A 12 -9.546 8.424 -5.126 1.00 0.00 C ATOM 182 C LYS A 12 -10.569 8.529 -3.994 1.00 0.00 C ATOM 183 O LYS A 12 -11.765 8.345 -4.213 1.00 0.00 O ATOM 184 CB LYS A 12 -9.094 6.991 -5.416 1.00 0.00 C ATOM 185 CG LYS A 12 -10.004 6.328 -6.452 1.00 0.00 C ATOM 186 CD LYS A 12 -9.432 4.982 -6.903 1.00 0.00 C ATOM 187 CE LYS A 12 -9.909 4.629 -8.313 1.00 0.00 C ATOM 188 NZ LYS A 12 -9.129 3.493 -8.854 1.00 0.00 N ATOM 0 H LYS A 12 -7.509 8.773 -4.782 1.00 0.00 H new ATOM 0 HA LYS A 12 -10.040 8.769 -6.034 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -8.067 6.997 -5.780 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -9.103 6.410 -4.494 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -10.997 6.181 -6.028 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -10.119 6.985 -7.314 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -8.343 5.020 -6.883 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -9.737 4.201 -6.206 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -10.968 4.373 -8.292 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -9.803 5.495 -8.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -9.465 3.266 -9.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -8.122 3.750 -8.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -9.251 2.664 -8.239 1.00 0.00 H new ATOM 202 N TYR A 13 -10.061 8.826 -2.806 1.00 0.00 N ATOM 203 CA TYR A 13 -10.915 8.958 -1.639 1.00 0.00 C ATOM 204 C TYR A 13 -11.287 10.422 -1.395 1.00 0.00 C ATOM 205 O TYR A 13 -12.453 10.740 -1.168 1.00 0.00 O ATOM 206 CB TYR A 13 -10.092 8.449 -0.454 1.00 0.00 C ATOM 207 CG TYR A 13 -10.275 6.958 -0.164 1.00 0.00 C ATOM 208 CD1 TYR A 13 -9.722 6.017 -1.009 1.00 0.00 C ATOM 209 CD2 TYR A 13 -10.993 6.553 0.943 1.00 0.00 C ATOM 210 CE1 TYR A 13 -9.894 4.614 -0.736 1.00 0.00 C ATOM 211 CE2 TYR A 13 -11.166 5.150 1.216 1.00 0.00 C ATOM 212 CZ TYR A 13 -10.608 4.250 0.363 1.00 0.00 C ATOM 213 OH TYR A 13 -10.770 2.924 0.621 1.00 0.00 O ATOM 0 H TYR A 13 -9.068 8.979 -2.628 1.00 0.00 H new ATOM 0 HA TYR A 13 -11.841 8.399 -1.776 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -9.037 8.644 -0.647 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -10.364 9.018 0.435 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -9.160 6.333 -1.875 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -11.425 7.289 1.605 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -9.466 3.868 -1.389 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -11.726 4.820 2.078 1.00 0.00 H new ATOM 0 HH TYR A 13 -10.535 2.405 -0.176 1.00 0.00 H new ATOM 223 N ALA A 14 -10.274 11.274 -1.449 1.00 0.00 N ATOM 224 CA ALA A 14 -10.479 12.696 -1.236 1.00 0.00 C ATOM 225 C ALA A 14 -11.471 13.224 -2.275 1.00 0.00 C ATOM 226 O ALA A 14 -12.103 14.258 -2.065 1.00 0.00 O ATOM 227 CB ALA A 14 -9.133 13.421 -1.294 1.00 0.00 C ATOM 0 H ALA A 14 -9.308 11.006 -1.637 1.00 0.00 H new ATOM 0 HA ALA A 14 -10.905 12.879 -0.249 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -9.287 14.488 -1.134 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -8.475 13.029 -0.518 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -8.676 13.263 -2.271 1.00 0.00 H new ATOM 233 N ALA A 15 -11.576 12.490 -3.373 1.00 0.00 N ATOM 234 CA ALA A 15 -12.480 12.872 -4.444 1.00 0.00 C ATOM 235 C ALA A 15 -13.885 12.355 -4.129 1.00 0.00 C ATOM 236 O ALA A 15 -14.873 12.885 -4.634 1.00 0.00 O ATOM 237 CB ALA A 15 -11.948 12.338 -5.776 1.00 0.00 C ATOM 0 H ALA A 15 -11.050 11.633 -3.544 1.00 0.00 H new ATOM 0 HA ALA A 15 -12.539 13.957 -4.527 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -12.626 12.624 -6.580 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -10.960 12.757 -5.968 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -11.878 11.251 -5.730 1.00 0.00 H new ATOM 243 N LYS A 16 -13.929 11.326 -3.295 1.00 0.00 N ATOM 244 CA LYS A 16 -15.197 10.732 -2.906 1.00 0.00 C ATOM 245 C LYS A 16 -16.113 11.820 -2.343 1.00 0.00 C ATOM 246 O LYS A 16 -17.153 12.124 -2.926 1.00 0.00 O ATOM 247 CB LYS A 16 -14.968 9.563 -1.946 1.00 0.00 C ATOM 248 CG LYS A 16 -15.759 8.329 -2.387 1.00 0.00 C ATOM 249 CD LYS A 16 -15.804 7.281 -1.274 1.00 0.00 C ATOM 250 CE LYS A 16 -17.109 6.483 -1.325 1.00 0.00 C ATOM 251 NZ LYS A 16 -18.165 7.167 -0.546 1.00 0.00 N ATOM 0 H LYS A 16 -13.107 10.889 -2.878 1.00 0.00 H new ATOM 0 HA LYS A 16 -15.702 10.308 -3.774 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -13.905 9.323 -1.906 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -15.268 9.851 -0.938 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -16.774 8.621 -2.658 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -15.302 7.899 -3.278 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -14.955 6.604 -1.372 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -15.710 7.770 -0.305 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -17.430 6.366 -2.360 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -16.946 5.482 -0.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -19.044 6.613 -0.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -17.862 7.257 0.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -18.332 8.113 -0.944 1.00 0.00 H new ATOM 265 N GLU A 17 -15.695 12.376 -1.215 1.00 0.00 N ATOM 266 CA GLU A 17 -16.466 13.423 -0.566 1.00 0.00 C ATOM 267 C GLU A 17 -15.642 14.709 -0.474 1.00 0.00 C ATOM 268 O GLU A 17 -14.502 14.688 -0.012 1.00 0.00 O ATOM 269 CB GLU A 17 -16.942 12.977 0.817 1.00 0.00 C ATOM 270 CG GLU A 17 -18.067 11.946 0.704 1.00 0.00 C ATOM 271 CD GLU A 17 -19.230 12.299 1.634 1.00 0.00 C ATOM 272 OE1 GLU A 17 -19.132 11.938 2.827 1.00 0.00 O ATOM 273 OE2 GLU A 17 -20.189 12.923 1.132 1.00 0.00 O ATOM 0 H GLU A 17 -14.832 12.121 -0.734 1.00 0.00 H new ATOM 0 HA GLU A 17 -17.351 13.623 -1.171 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -16.107 12.550 1.373 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -17.292 13.841 1.381 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -18.421 11.900 -0.326 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -17.685 10.956 0.954 1.00 0.00 H new ATOM 280 N GLY A 18 -16.250 15.797 -0.922 1.00 0.00 N ATOM 281 CA GLY A 18 -15.587 17.090 -0.896 1.00 0.00 C ATOM 282 C GLY A 18 -14.402 17.118 -1.863 1.00 0.00 C ATOM 283 O GLY A 18 -14.123 16.128 -2.538 1.00 0.00 O ATOM 0 H GLY A 18 -17.195 15.810 -1.305 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -16.297 17.872 -1.163 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -15.241 17.305 0.115 1.00 0.00 H new ATOM 287 N ASP A 19 -13.735 18.262 -1.899 1.00 0.00 N ATOM 288 CA ASP A 19 -12.586 18.432 -2.772 1.00 0.00 C ATOM 289 C ASP A 19 -11.524 17.388 -2.419 1.00 0.00 C ATOM 290 O ASP A 19 -11.291 17.107 -1.245 1.00 0.00 O ATOM 291 CB ASP A 19 -11.962 19.818 -2.599 1.00 0.00 C ATOM 292 CG ASP A 19 -11.316 20.398 -3.858 1.00 0.00 C ATOM 293 OD1 ASP A 19 -10.169 19.993 -4.146 1.00 0.00 O ATOM 294 OD2 ASP A 19 -11.983 21.234 -4.505 1.00 0.00 O ATOM 0 H ASP A 19 -13.968 19.081 -1.337 1.00 0.00 H new ATOM 0 HA ASP A 19 -12.925 18.316 -3.801 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -12.733 20.507 -2.254 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -11.208 19.765 -1.814 1.00 0.00 H new ATOM 299 N PRO A 20 -10.892 16.828 -3.485 1.00 0.00 N ATOM 300 CA PRO A 20 -9.861 15.821 -3.300 1.00 0.00 C ATOM 301 C PRO A 20 -8.556 16.457 -2.816 1.00 0.00 C ATOM 302 O PRO A 20 -7.579 15.756 -2.556 1.00 0.00 O ATOM 303 CB PRO A 20 -9.725 15.143 -4.653 1.00 0.00 C ATOM 304 CG PRO A 20 -10.347 16.096 -5.661 1.00 0.00 C ATOM 305 CD PRO A 20 -11.142 17.136 -4.890 1.00 0.00 C ATOM 0 HA PRO A 20 -10.117 15.093 -2.530 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -8.679 14.952 -4.891 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -10.235 14.180 -4.660 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -9.573 16.575 -6.261 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -10.995 15.554 -6.350 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -10.817 18.146 -5.138 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -12.205 17.076 -5.125 1.00 0.00 H new ATOM 313 N ASN A 21 -8.581 17.777 -2.711 1.00 0.00 N ATOM 314 CA ASN A 21 -7.412 18.515 -2.263 1.00 0.00 C ATOM 315 C ASN A 21 -7.463 18.669 -0.742 1.00 0.00 C ATOM 316 O ASN A 21 -6.568 19.265 -0.144 1.00 0.00 O ATOM 317 CB ASN A 21 -7.375 19.915 -2.879 1.00 0.00 C ATOM 318 CG ASN A 21 -6.787 19.878 -4.291 1.00 0.00 C ATOM 319 OD1 ASN A 21 -5.590 19.749 -4.490 1.00 0.00 O ATOM 320 ND2 ASN A 21 -7.693 19.998 -5.257 1.00 0.00 N ATOM 0 H ASN A 21 -9.393 18.355 -2.929 1.00 0.00 H new ATOM 0 HA ASN A 21 -6.525 17.961 -2.572 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -8.383 20.328 -2.912 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -6.779 20.577 -2.250 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -7.401 19.985 -6.234 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -8.680 20.103 -5.021 1.00 0.00 H new ATOM 327 N GLN A 22 -8.519 18.120 -0.159 1.00 0.00 N ATOM 328 CA GLN A 22 -8.698 18.189 1.282 1.00 0.00 C ATOM 329 C GLN A 22 -9.451 16.954 1.782 1.00 0.00 C ATOM 330 O GLN A 22 -10.497 16.599 1.242 1.00 0.00 O ATOM 331 CB GLN A 22 -9.424 19.474 1.683 1.00 0.00 C ATOM 332 CG GLN A 22 -10.484 19.852 0.646 1.00 0.00 C ATOM 333 CD GLN A 22 -10.080 21.116 -0.115 1.00 0.00 C ATOM 334 OE1 GLN A 22 -8.912 21.425 -0.282 1.00 0.00 O ATOM 335 NE2 GLN A 22 -11.109 21.827 -0.566 1.00 0.00 N ATOM 0 H GLN A 22 -9.259 17.626 -0.658 1.00 0.00 H new ATOM 0 HA GLN A 22 -7.714 18.206 1.751 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -9.894 19.341 2.657 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -8.704 20.286 1.785 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -10.621 19.029 -0.056 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -11.442 20.012 1.141 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -12.063 21.511 -0.391 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -10.944 22.688 -1.087 1.00 0.00 H new ATOM 344 N LEU A 23 -8.889 16.334 2.809 1.00 0.00 N ATOM 345 CA LEU A 23 -9.494 15.147 3.388 1.00 0.00 C ATOM 346 C LEU A 23 -10.395 15.556 4.555 1.00 0.00 C ATOM 347 O LEU A 23 -10.207 16.618 5.146 1.00 0.00 O ATOM 348 CB LEU A 23 -8.417 14.129 3.772 1.00 0.00 C ATOM 349 CG LEU A 23 -7.670 13.473 2.609 1.00 0.00 C ATOM 350 CD1 LEU A 23 -8.219 12.074 2.324 1.00 0.00 C ATOM 351 CD2 LEU A 23 -7.699 14.364 1.366 1.00 0.00 C ATOM 0 H LEU A 23 -8.021 16.631 3.255 1.00 0.00 H new ATOM 0 HA LEU A 23 -10.127 14.647 2.655 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -7.688 14.625 4.413 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -8.883 13.344 4.368 1.00 0.00 H new ATOM 0 HG LEU A 23 -6.625 13.356 2.897 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -7.671 11.630 1.493 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -8.103 11.450 3.210 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -9.276 12.143 2.065 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -7.161 13.874 0.554 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -8.733 14.535 1.065 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -7.224 15.319 1.592 1.00 0.00 H new ATOM 363 N SER A 24 -11.356 14.693 4.850 1.00 0.00 N ATOM 364 CA SER A 24 -12.287 14.952 5.935 1.00 0.00 C ATOM 365 C SER A 24 -12.314 13.762 6.897 1.00 0.00 C ATOM 366 O SER A 24 -11.870 12.669 6.550 1.00 0.00 O ATOM 367 CB SER A 24 -13.693 15.232 5.399 1.00 0.00 C ATOM 368 OG SER A 24 -13.693 16.264 4.416 1.00 0.00 O ATOM 0 H SER A 24 -11.510 13.814 4.357 1.00 0.00 H new ATOM 0 HA SER A 24 -11.948 15.838 6.472 1.00 0.00 H new ATOM 0 HB2 SER A 24 -14.105 14.320 4.967 1.00 0.00 H new ATOM 0 HB3 SER A 24 -14.346 15.517 6.224 1.00 0.00 H new ATOM 0 HG SER A 24 -14.608 16.412 4.097 1.00 0.00 H new ATOM 374 N LYS A 25 -12.838 14.016 8.087 1.00 0.00 N ATOM 375 CA LYS A 25 -12.928 12.980 9.102 1.00 0.00 C ATOM 376 C LYS A 25 -13.621 11.751 8.510 1.00 0.00 C ATOM 377 O LYS A 25 -13.041 10.667 8.468 1.00 0.00 O ATOM 378 CB LYS A 25 -13.607 13.522 10.361 1.00 0.00 C ATOM 379 CG LYS A 25 -13.638 12.463 11.466 1.00 0.00 C ATOM 380 CD LYS A 25 -14.862 12.644 12.365 1.00 0.00 C ATOM 381 CE LYS A 25 -14.459 12.679 13.840 1.00 0.00 C ATOM 382 NZ LYS A 25 -15.391 11.866 14.652 1.00 0.00 N ATOM 0 H LYS A 25 -13.205 14.924 8.371 1.00 0.00 H new ATOM 0 HA LYS A 25 -11.932 12.665 9.415 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -13.075 14.406 10.714 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -14.624 13.836 10.124 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -13.653 11.468 11.021 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -12.730 12.530 12.065 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -15.376 13.569 12.103 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -15.566 11.829 12.196 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -13.443 12.301 13.954 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -14.458 13.708 14.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -15.494 12.293 15.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -16.319 11.831 14.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -15.016 10.901 14.749 1.00 0.00 H new ATOM 396 N GLU A 26 -14.851 11.962 8.066 1.00 0.00 N ATOM 397 CA GLU A 26 -15.629 10.885 7.478 1.00 0.00 C ATOM 398 C GLU A 26 -14.877 10.270 6.296 1.00 0.00 C ATOM 399 O GLU A 26 -14.871 9.052 6.125 1.00 0.00 O ATOM 400 CB GLU A 26 -17.013 11.378 7.051 1.00 0.00 C ATOM 401 CG GLU A 26 -18.117 10.633 7.804 1.00 0.00 C ATOM 402 CD GLU A 26 -19.243 10.215 6.856 1.00 0.00 C ATOM 403 OE1 GLU A 26 -19.016 9.247 6.098 1.00 0.00 O ATOM 404 OE2 GLU A 26 -20.304 10.873 6.909 1.00 0.00 O ATOM 0 H GLU A 26 -15.328 12.863 8.102 1.00 0.00 H new ATOM 0 HA GLU A 26 -15.772 10.112 8.234 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -17.096 12.448 7.241 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -17.139 11.234 5.978 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -17.699 9.751 8.289 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -18.518 11.270 8.592 1.00 0.00 H new ATOM 411 N GLU A 27 -14.261 11.142 5.511 1.00 0.00 N ATOM 412 CA GLU A 27 -13.508 10.700 4.350 1.00 0.00 C ATOM 413 C GLU A 27 -12.346 9.802 4.781 1.00 0.00 C ATOM 414 O GLU A 27 -12.275 8.640 4.382 1.00 0.00 O ATOM 415 CB GLU A 27 -13.004 11.894 3.536 1.00 0.00 C ATOM 416 CG GLU A 27 -13.786 12.035 2.228 1.00 0.00 C ATOM 417 CD GLU A 27 -12.844 12.020 1.022 1.00 0.00 C ATOM 418 OE1 GLU A 27 -11.799 11.343 1.127 1.00 0.00 O ATOM 419 OE2 GLU A 27 -13.192 12.686 0.023 1.00 0.00 O ATOM 0 H GLU A 27 -14.268 12.152 5.656 1.00 0.00 H new ATOM 0 HA GLU A 27 -14.173 10.120 3.710 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -13.103 12.807 4.123 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -11.943 11.769 3.318 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -14.507 11.222 2.141 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -14.355 12.965 2.238 1.00 0.00 H new ATOM 426 N LEU A 28 -11.466 10.374 5.589 1.00 0.00 N ATOM 427 CA LEU A 28 -10.312 9.639 6.078 1.00 0.00 C ATOM 428 C LEU A 28 -10.773 8.300 6.656 1.00 0.00 C ATOM 429 O LEU A 28 -10.161 7.264 6.398 1.00 0.00 O ATOM 430 CB LEU A 28 -9.513 10.493 7.065 1.00 0.00 C ATOM 431 CG LEU A 28 -8.044 10.105 7.251 1.00 0.00 C ATOM 432 CD1 LEU A 28 -7.524 9.332 6.038 1.00 0.00 C ATOM 433 CD2 LEU A 28 -7.187 11.335 7.558 1.00 0.00 C ATOM 0 H LEU A 28 -11.529 11.338 5.917 1.00 0.00 H new ATOM 0 HA LEU A 28 -9.628 9.414 5.260 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -9.555 11.531 6.734 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -10.006 10.448 8.036 1.00 0.00 H new ATOM 0 HG LEU A 28 -7.972 9.440 8.112 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -6.478 9.068 6.196 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -8.111 8.423 5.906 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -7.611 9.953 5.146 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -6.148 11.032 7.686 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -7.259 12.044 6.733 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -7.542 11.807 8.474 1.00 0.00 H new ATOM 445 N LYS A 29 -11.848 8.363 7.428 1.00 0.00 N ATOM 446 CA LYS A 29 -12.398 7.168 8.045 1.00 0.00 C ATOM 447 C LYS A 29 -12.405 6.029 7.023 1.00 0.00 C ATOM 448 O LYS A 29 -11.865 4.955 7.282 1.00 0.00 O ATOM 449 CB LYS A 29 -13.772 7.461 8.650 1.00 0.00 C ATOM 450 CG LYS A 29 -14.332 6.228 9.362 1.00 0.00 C ATOM 451 CD LYS A 29 -15.264 6.632 10.506 1.00 0.00 C ATOM 452 CE LYS A 29 -15.260 5.577 11.614 1.00 0.00 C ATOM 453 NZ LYS A 29 -16.600 4.963 11.750 1.00 0.00 N ATOM 0 H LYS A 29 -12.353 9.223 7.640 1.00 0.00 H new ATOM 0 HA LYS A 29 -11.772 6.846 8.877 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -13.694 8.288 9.355 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -14.459 7.775 7.865 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -14.874 5.607 8.649 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -13.512 5.625 9.752 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -14.951 7.593 10.913 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -16.277 6.762 10.126 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -14.522 4.807 11.389 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -14.965 6.034 12.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -16.580 4.249 12.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -17.296 5.698 11.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -16.867 4.509 10.853 1.00 0.00 H new ATOM 467 N LEU A 30 -13.024 6.303 5.884 1.00 0.00 N ATOM 468 CA LEU A 30 -13.110 5.315 4.823 1.00 0.00 C ATOM 469 C LEU A 30 -11.704 4.815 4.484 1.00 0.00 C ATOM 470 O LEU A 30 -11.437 3.615 4.543 1.00 0.00 O ATOM 471 CB LEU A 30 -13.866 5.884 3.621 1.00 0.00 C ATOM 472 CG LEU A 30 -15.299 6.348 3.889 1.00 0.00 C ATOM 473 CD1 LEU A 30 -16.077 6.509 2.581 1.00 0.00 C ATOM 474 CD2 LEU A 30 -16.007 5.406 4.864 1.00 0.00 C ATOM 0 H LEU A 30 -13.471 7.195 5.673 1.00 0.00 H new ATOM 0 HA LEU A 30 -13.686 4.451 5.153 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -13.300 6.728 3.227 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -13.891 5.124 2.840 1.00 0.00 H new ATOM 0 HG LEU A 30 -15.257 7.329 4.362 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -17.092 6.840 2.800 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -15.582 7.249 1.952 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -16.111 5.553 2.058 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -17.024 5.759 5.037 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -16.038 4.402 4.442 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -15.464 5.385 5.809 1.00 0.00 H new ATOM 486 N LEU A 31 -10.842 5.759 4.135 1.00 0.00 N ATOM 487 CA LEU A 31 -9.471 5.429 3.787 1.00 0.00 C ATOM 488 C LEU A 31 -8.869 4.547 4.883 1.00 0.00 C ATOM 489 O LEU A 31 -8.520 3.394 4.635 1.00 0.00 O ATOM 490 CB LEU A 31 -8.667 6.701 3.510 1.00 0.00 C ATOM 491 CG LEU A 31 -7.472 6.548 2.567 1.00 0.00 C ATOM 492 CD1 LEU A 31 -7.710 7.297 1.254 1.00 0.00 C ATOM 493 CD2 LEU A 31 -6.175 6.985 3.249 1.00 0.00 C ATOM 0 H LEU A 31 -11.067 6.753 4.086 1.00 0.00 H new ATOM 0 HA LEU A 31 -9.441 4.853 2.862 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -9.341 7.449 3.092 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -8.306 7.093 4.461 1.00 0.00 H new ATOM 0 HG LEU A 31 -7.365 5.492 2.320 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -6.846 7.172 0.602 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -8.596 6.897 0.762 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -7.858 8.357 1.461 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.342 6.866 2.556 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -6.254 8.031 3.545 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -6.003 6.370 4.132 1.00 0.00 H new ATOM 505 N LEU A 32 -8.765 5.124 6.071 1.00 0.00 N ATOM 506 CA LEU A 32 -8.211 4.405 7.206 1.00 0.00 C ATOM 507 C LEU A 32 -8.856 3.021 7.292 1.00 0.00 C ATOM 508 O LEU A 32 -8.281 2.098 7.867 1.00 0.00 O ATOM 509 CB LEU A 32 -8.356 5.231 8.486 1.00 0.00 C ATOM 510 CG LEU A 32 -7.768 6.643 8.443 1.00 0.00 C ATOM 511 CD1 LEU A 32 -8.322 7.502 9.581 1.00 0.00 C ATOM 512 CD2 LEU A 32 -6.238 6.600 8.450 1.00 0.00 C ATOM 0 H LEU A 32 -9.055 6.081 6.272 1.00 0.00 H new ATOM 0 HA LEU A 32 -7.140 4.250 7.073 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -9.416 5.307 8.727 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -7.882 4.686 9.302 1.00 0.00 H new ATOM 0 HG LEU A 32 -8.073 7.112 7.507 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -7.888 8.501 9.528 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -9.406 7.572 9.490 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -8.067 7.046 10.538 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.845 7.616 8.419 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.892 6.105 9.357 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.886 6.048 7.579 1.00 0.00 H new ATOM 524 N GLN A 33 -10.043 2.919 6.711 1.00 0.00 N ATOM 525 CA GLN A 33 -10.772 1.662 6.714 1.00 0.00 C ATOM 526 C GLN A 33 -10.078 0.643 5.809 1.00 0.00 C ATOM 527 O GLN A 33 -9.597 -0.386 6.282 1.00 0.00 O ATOM 528 CB GLN A 33 -12.227 1.872 6.288 1.00 0.00 C ATOM 529 CG GLN A 33 -13.181 1.090 7.194 1.00 0.00 C ATOM 530 CD GLN A 33 -14.575 0.995 6.569 1.00 0.00 C ATOM 531 OE1 GLN A 33 -15.052 -0.070 6.213 1.00 0.00 O ATOM 532 NE2 GLN A 33 -15.198 2.164 6.457 1.00 0.00 N ATOM 0 H GLN A 33 -10.518 3.686 6.235 1.00 0.00 H new ATOM 0 HA GLN A 33 -10.778 1.270 7.731 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -12.471 2.934 6.326 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -12.357 1.552 5.254 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -12.786 0.089 7.366 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -13.247 1.578 8.166 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -14.741 3.018 6.775 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -16.133 2.207 6.053 1.00 0.00 H new ATOM 541 N THR A 34 -10.046 0.964 4.524 1.00 0.00 N ATOM 542 CA THR A 34 -9.418 0.089 3.549 1.00 0.00 C ATOM 543 C THR A 34 -7.899 0.270 3.570 1.00 0.00 C ATOM 544 O THR A 34 -7.155 -0.706 3.651 1.00 0.00 O ATOM 545 CB THR A 34 -10.046 0.376 2.183 1.00 0.00 C ATOM 546 OG1 THR A 34 -10.935 -0.717 1.973 1.00 0.00 O ATOM 547 CG2 THR A 34 -9.037 0.260 1.039 1.00 0.00 C ATOM 0 H THR A 34 -10.445 1.818 4.135 1.00 0.00 H new ATOM 0 HA THR A 34 -9.592 -0.960 3.789 1.00 0.00 H new ATOM 0 HB THR A 34 -10.479 1.376 2.186 1.00 0.00 H new ATOM 0 HG1 THR A 34 -11.386 -0.610 1.110 1.00 0.00 H new ATOM 0 HG21 THR A 34 -9.534 0.473 0.093 1.00 0.00 H new ATOM 0 HG22 THR A 34 -8.228 0.974 1.193 1.00 0.00 H new ATOM 0 HG23 THR A 34 -8.629 -0.750 1.015 1.00 0.00 H new ATOM 555 N GLU A 35 -7.484 1.526 3.494 1.00 0.00 N ATOM 556 CA GLU A 35 -6.067 1.848 3.504 1.00 0.00 C ATOM 557 C GLU A 35 -5.356 1.083 4.622 1.00 0.00 C ATOM 558 O GLU A 35 -4.461 0.281 4.358 1.00 0.00 O ATOM 559 CB GLU A 35 -5.848 3.356 3.647 1.00 0.00 C ATOM 560 CG GLU A 35 -4.363 3.680 3.822 1.00 0.00 C ATOM 561 CD GLU A 35 -3.538 3.111 2.667 1.00 0.00 C ATOM 562 OE1 GLU A 35 -3.255 1.895 2.716 1.00 0.00 O ATOM 563 OE2 GLU A 35 -3.207 3.906 1.761 1.00 0.00 O ATOM 0 H GLU A 35 -8.104 2.333 3.425 1.00 0.00 H new ATOM 0 HA GLU A 35 -5.638 1.540 2.550 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -6.234 3.868 2.766 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -6.409 3.729 4.504 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -4.226 4.760 3.874 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -4.006 3.268 4.766 1.00 0.00 H new ATOM 570 N PHE A 36 -5.782 1.356 5.846 1.00 0.00 N ATOM 571 CA PHE A 36 -5.197 0.703 7.005 1.00 0.00 C ATOM 572 C PHE A 36 -6.212 0.597 8.145 1.00 0.00 C ATOM 573 O PHE A 36 -6.297 1.486 8.991 1.00 0.00 O ATOM 574 CB PHE A 36 -4.023 1.571 7.463 1.00 0.00 C ATOM 575 CG PHE A 36 -2.773 1.437 6.591 1.00 0.00 C ATOM 576 CD1 PHE A 36 -2.243 0.208 6.348 1.00 0.00 C ATOM 577 CD2 PHE A 36 -2.191 2.546 6.060 1.00 0.00 C ATOM 578 CE1 PHE A 36 -1.082 0.083 5.539 1.00 0.00 C ATOM 579 CE2 PHE A 36 -1.031 2.421 5.252 1.00 0.00 C ATOM 580 CZ PHE A 36 -0.501 1.192 5.008 1.00 0.00 C ATOM 0 H PHE A 36 -6.525 2.021 6.061 1.00 0.00 H new ATOM 0 HA PHE A 36 -4.879 -0.306 6.742 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -4.338 2.615 7.471 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -3.768 1.307 8.489 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -2.705 -0.672 6.770 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -2.612 3.522 6.253 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -0.661 -0.893 5.346 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -0.569 3.302 4.831 1.00 0.00 H new ATOM 0 HZ PHE A 36 0.381 1.097 4.392 1.00 0.00 H new ATOM 590 N PRO A 37 -6.977 -0.527 8.130 1.00 0.00 N ATOM 591 CA PRO A 37 -7.984 -0.762 9.152 1.00 0.00 C ATOM 592 C PRO A 37 -7.336 -1.178 10.474 1.00 0.00 C ATOM 593 O PRO A 37 -8.030 -1.422 11.459 1.00 0.00 O ATOM 594 CB PRO A 37 -8.892 -1.833 8.571 1.00 0.00 C ATOM 595 CG PRO A 37 -8.099 -2.490 7.452 1.00 0.00 C ATOM 596 CD PRO A 37 -6.905 -1.601 7.143 1.00 0.00 C ATOM 0 HA PRO A 37 -8.554 0.134 9.395 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -9.172 -2.562 9.331 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -9.816 -1.398 8.191 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -7.767 -3.484 7.752 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -8.721 -2.615 6.566 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -5.969 -2.153 7.226 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -6.955 -1.209 6.127 1.00 0.00 H new ATOM 604 N SER A 38 -6.013 -1.247 10.452 1.00 0.00 N ATOM 605 CA SER A 38 -5.264 -1.630 11.636 1.00 0.00 C ATOM 606 C SER A 38 -4.920 -0.389 12.462 1.00 0.00 C ATOM 607 O SER A 38 -4.872 -0.450 13.690 1.00 0.00 O ATOM 608 CB SER A 38 -3.988 -2.387 11.260 1.00 0.00 C ATOM 609 OG SER A 38 -4.044 -3.756 11.653 1.00 0.00 O ATOM 0 H SER A 38 -5.441 -1.044 9.632 1.00 0.00 H new ATOM 0 HA SER A 38 -5.887 -2.296 12.234 1.00 0.00 H new ATOM 0 HB2 SER A 38 -3.834 -2.325 10.183 1.00 0.00 H new ATOM 0 HB3 SER A 38 -3.130 -1.909 11.733 1.00 0.00 H new ATOM 0 HG SER A 38 -3.212 -4.205 11.394 1.00 0.00 H new ATOM 615 N LEU A 39 -4.690 0.708 11.756 1.00 0.00 N ATOM 616 CA LEU A 39 -4.352 1.962 12.408 1.00 0.00 C ATOM 617 C LEU A 39 -5.571 2.475 13.178 1.00 0.00 C ATOM 618 O LEU A 39 -5.433 3.269 14.108 1.00 0.00 O ATOM 619 CB LEU A 39 -3.801 2.963 11.392 1.00 0.00 C ATOM 620 CG LEU A 39 -2.346 3.392 11.595 1.00 0.00 C ATOM 621 CD1 LEU A 39 -2.244 4.509 12.636 1.00 0.00 C ATOM 622 CD2 LEU A 39 -1.465 2.193 11.952 1.00 0.00 C ATOM 0 H LEU A 39 -4.731 0.755 10.738 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.554 1.811 13.135 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -3.896 2.530 10.396 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -4.428 3.854 11.413 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.974 3.795 10.653 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -1.200 4.795 12.761 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.819 5.372 12.301 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -2.640 4.156 13.588 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.436 2.526 12.091 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.827 1.738 12.874 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -1.504 1.460 11.146 1.00 0.00 H new ATOM 634 N LEU A 40 -6.736 2.001 12.763 1.00 0.00 N ATOM 635 CA LEU A 40 -7.978 2.402 13.402 1.00 0.00 C ATOM 636 C LEU A 40 -8.101 1.697 14.755 1.00 0.00 C ATOM 637 O LEU A 40 -8.755 2.204 15.665 1.00 0.00 O ATOM 638 CB LEU A 40 -9.165 2.154 12.469 1.00 0.00 C ATOM 639 CG LEU A 40 -9.214 3.012 11.203 1.00 0.00 C ATOM 640 CD1 LEU A 40 -10.249 2.472 10.215 1.00 0.00 C ATOM 641 CD2 LEU A 40 -9.461 4.482 11.547 1.00 0.00 C ATOM 0 H LEU A 40 -6.846 1.343 11.992 1.00 0.00 H new ATOM 0 HA LEU A 40 -7.976 3.474 13.599 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -9.156 1.105 12.173 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -10.084 2.319 13.031 1.00 0.00 H new ATOM 0 HG LEU A 40 -8.242 2.955 10.713 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -10.264 3.100 9.324 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -9.987 1.451 9.935 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -11.235 2.479 10.680 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -9.491 5.070 10.630 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -10.412 4.578 12.071 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -8.656 4.847 12.185 1.00 0.00 H new ATOM 653 N LYS A 41 -7.462 0.540 14.843 1.00 0.00 N ATOM 654 CA LYS A 41 -7.492 -0.240 16.069 1.00 0.00 C ATOM 655 C LYS A 41 -6.646 0.461 17.134 1.00 0.00 C ATOM 656 O LYS A 41 -6.937 0.365 18.326 1.00 0.00 O ATOM 657 CB LYS A 41 -7.066 -1.683 15.797 1.00 0.00 C ATOM 658 CG LYS A 41 -5.560 -1.859 16.006 1.00 0.00 C ATOM 659 CD LYS A 41 -5.258 -2.363 17.419 1.00 0.00 C ATOM 660 CE LYS A 41 -4.059 -1.625 18.019 1.00 0.00 C ATOM 661 NZ LYS A 41 -2.941 -2.564 18.260 1.00 0.00 N ATOM 0 H LYS A 41 -6.920 0.124 14.086 1.00 0.00 H new ATOM 0 HA LYS A 41 -8.509 -0.301 16.457 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -7.610 -2.357 16.459 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -7.330 -1.957 14.776 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -5.167 -2.564 15.273 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -5.052 -0.909 15.839 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -6.132 -2.221 18.054 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -5.054 -3.433 17.392 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -3.737 -0.832 17.344 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -4.349 -1.148 18.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -2.135 -2.047 18.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -3.247 -3.306 18.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -2.654 -3.000 17.361 1.00 0.00 H new ATOM 675 N GLY A 42 -5.616 1.150 16.667 1.00 0.00 N ATOM 676 CA GLY A 42 -4.725 1.867 17.564 1.00 0.00 C ATOM 677 C GLY A 42 -5.513 2.573 18.670 1.00 0.00 C ATOM 678 O GLY A 42 -6.732 2.711 18.578 1.00 0.00 O ATOM 0 H GLY A 42 -5.378 1.227 15.678 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -4.012 1.171 18.007 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -4.147 2.599 17.000 1.00 0.00 H new ATOM 682 N MET A 43 -4.785 3.001 19.691 1.00 0.00 N ATOM 683 CA MET A 43 -5.400 3.689 20.813 1.00 0.00 C ATOM 684 C MET A 43 -5.901 5.074 20.399 1.00 0.00 C ATOM 685 O MET A 43 -6.534 5.771 21.190 1.00 0.00 O ATOM 686 CB MET A 43 -4.381 3.832 21.945 1.00 0.00 C ATOM 687 CG MET A 43 -3.884 2.462 22.411 1.00 0.00 C ATOM 688 SD MET A 43 -3.383 2.544 24.123 1.00 0.00 S ATOM 689 CE MET A 43 -1.858 1.620 24.044 1.00 0.00 C ATOM 0 H MET A 43 -3.774 2.884 19.765 1.00 0.00 H new ATOM 0 HA MET A 43 -6.253 3.101 21.152 1.00 0.00 H new ATOM 0 HB2 MET A 43 -3.537 4.433 21.606 1.00 0.00 H new ATOM 0 HB3 MET A 43 -4.834 4.363 22.782 1.00 0.00 H new ATOM 0 HG2 MET A 43 -4.673 1.719 22.289 1.00 0.00 H new ATOM 0 HG3 MET A 43 -3.045 2.141 21.793 1.00 0.00 H new ATOM 0 HE1 MET A 43 -1.409 1.573 25.036 1.00 0.00 H new ATOM 0 HE2 MET A 43 -2.063 0.609 23.690 1.00 0.00 H new ATOM 0 HE3 MET A 43 -1.170 2.112 23.357 1.00 0.00 H new ATOM 699 N SER A 44 -5.598 5.431 19.159 1.00 0.00 N ATOM 700 CA SER A 44 -6.010 6.721 18.631 1.00 0.00 C ATOM 701 C SER A 44 -7.359 6.589 17.921 1.00 0.00 C ATOM 702 O SER A 44 -7.418 6.171 16.766 1.00 0.00 O ATOM 703 CB SER A 44 -4.959 7.284 17.672 1.00 0.00 C ATOM 704 OG SER A 44 -5.249 8.626 17.290 1.00 0.00 O ATOM 0 H SER A 44 -5.073 4.850 18.505 1.00 0.00 H new ATOM 0 HA SER A 44 -6.112 7.415 19.465 1.00 0.00 H new ATOM 0 HB2 SER A 44 -3.978 7.246 18.146 1.00 0.00 H new ATOM 0 HB3 SER A 44 -4.907 6.657 16.782 1.00 0.00 H new ATOM 0 HG SER A 44 -4.433 9.055 16.957 1.00 0.00 H new ATOM 710 N THR A 45 -8.409 6.952 18.643 1.00 0.00 N ATOM 711 CA THR A 45 -9.754 6.880 18.097 1.00 0.00 C ATOM 712 C THR A 45 -9.871 7.758 16.850 1.00 0.00 C ATOM 713 O THR A 45 -8.975 8.549 16.556 1.00 0.00 O ATOM 714 CB THR A 45 -10.736 7.264 19.205 1.00 0.00 C ATOM 715 OG1 THR A 45 -10.341 8.582 19.577 1.00 0.00 O ATOM 716 CG2 THR A 45 -10.532 6.441 20.479 1.00 0.00 C ATOM 0 H THR A 45 -8.356 7.297 19.601 1.00 0.00 H new ATOM 0 HA THR A 45 -9.993 5.869 17.768 1.00 0.00 H new ATOM 0 HB THR A 45 -11.757 7.132 18.847 1.00 0.00 H new ATOM 0 HG1 THR A 45 -10.927 8.910 20.291 1.00 0.00 H new ATOM 0 HG21 THR A 45 -11.254 6.753 21.233 1.00 0.00 H new ATOM 0 HG22 THR A 45 -10.675 5.384 20.256 1.00 0.00 H new ATOM 0 HG23 THR A 45 -9.522 6.599 20.856 1.00 0.00 H new ATOM 724 N LEU A 46 -10.983 7.591 16.149 1.00 0.00 N ATOM 725 CA LEU A 46 -11.229 8.358 14.940 1.00 0.00 C ATOM 726 C LEU A 46 -11.029 9.846 15.237 1.00 0.00 C ATOM 727 O LEU A 46 -10.120 10.474 14.695 1.00 0.00 O ATOM 728 CB LEU A 46 -12.607 8.026 14.365 1.00 0.00 C ATOM 729 CG LEU A 46 -12.777 8.243 12.860 1.00 0.00 C ATOM 730 CD1 LEU A 46 -13.116 9.703 12.552 1.00 0.00 C ATOM 731 CD2 LEU A 46 -11.540 7.768 12.095 1.00 0.00 C ATOM 0 H LEU A 46 -11.724 6.935 16.396 1.00 0.00 H new ATOM 0 HA LEU A 46 -10.513 8.087 14.165 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -12.830 6.983 14.589 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -13.351 8.630 14.885 1.00 0.00 H new ATOM 0 HG LEU A 46 -13.618 7.638 12.520 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -13.232 9.830 11.476 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -14.046 9.974 13.051 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -12.312 10.346 12.909 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -11.687 7.933 11.028 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -10.667 8.327 12.432 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -11.384 6.705 12.279 1.00 0.00 H new ATOM 743 N ASP A 47 -11.892 10.367 16.096 1.00 0.00 N ATOM 744 CA ASP A 47 -11.822 11.769 16.471 1.00 0.00 C ATOM 745 C ASP A 47 -10.366 12.144 16.756 1.00 0.00 C ATOM 746 O ASP A 47 -9.862 13.134 16.229 1.00 0.00 O ATOM 747 CB ASP A 47 -12.636 12.042 17.737 1.00 0.00 C ATOM 748 CG ASP A 47 -13.440 13.344 17.721 1.00 0.00 C ATOM 749 OD1 ASP A 47 -12.840 14.376 17.350 1.00 0.00 O ATOM 750 OD2 ASP A 47 -14.635 13.278 18.079 1.00 0.00 O ATOM 0 H ASP A 47 -12.644 9.843 16.544 1.00 0.00 H new ATOM 0 HA ASP A 47 -12.226 12.359 15.648 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -13.323 11.211 17.896 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -11.957 12.062 18.590 1.00 0.00 H new ATOM 755 N GLU A 48 -9.731 11.332 17.589 1.00 0.00 N ATOM 756 CA GLU A 48 -8.344 11.566 17.950 1.00 0.00 C ATOM 757 C GLU A 48 -7.477 11.665 16.693 1.00 0.00 C ATOM 758 O GLU A 48 -6.647 12.565 16.577 1.00 0.00 O ATOM 759 CB GLU A 48 -7.828 10.470 18.885 1.00 0.00 C ATOM 760 CG GLU A 48 -7.587 11.019 20.293 1.00 0.00 C ATOM 761 CD GLU A 48 -6.472 10.245 21.000 1.00 0.00 C ATOM 762 OE1 GLU A 48 -6.530 8.997 20.952 1.00 0.00 O ATOM 763 OE2 GLU A 48 -5.588 10.918 21.572 1.00 0.00 O ATOM 0 H GLU A 48 -10.152 10.511 18.024 1.00 0.00 H new ATOM 0 HA GLU A 48 -8.284 12.514 18.485 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -8.549 9.654 18.928 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -6.901 10.056 18.489 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -7.322 12.075 20.235 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -8.506 10.953 20.875 1.00 0.00 H new ATOM 770 N LEU A 49 -7.701 10.729 15.783 1.00 0.00 N ATOM 771 CA LEU A 49 -6.952 10.700 14.538 1.00 0.00 C ATOM 772 C LEU A 49 -7.264 11.961 13.730 1.00 0.00 C ATOM 773 O LEU A 49 -6.367 12.568 13.148 1.00 0.00 O ATOM 774 CB LEU A 49 -7.224 9.400 13.779 1.00 0.00 C ATOM 775 CG LEU A 49 -6.000 8.703 13.182 1.00 0.00 C ATOM 776 CD1 LEU A 49 -5.404 7.700 14.171 1.00 0.00 C ATOM 777 CD2 LEU A 49 -6.340 8.051 11.840 1.00 0.00 C ATOM 0 H LEU A 49 -8.391 9.984 15.883 1.00 0.00 H new ATOM 0 HA LEU A 49 -5.881 10.707 14.738 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -7.719 8.704 14.456 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -7.925 9.613 12.972 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.238 9.458 12.989 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.535 7.218 13.722 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -5.101 8.221 15.079 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -6.150 6.945 14.418 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -5.453 7.563 11.438 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -7.127 7.311 11.984 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -6.683 8.814 11.141 1.00 0.00 H new ATOM 789 N PHE A 50 -8.540 12.318 13.721 1.00 0.00 N ATOM 790 CA PHE A 50 -8.982 13.496 12.994 1.00 0.00 C ATOM 791 C PHE A 50 -8.277 14.753 13.507 1.00 0.00 C ATOM 792 O PHE A 50 -7.697 15.506 12.726 1.00 0.00 O ATOM 793 CB PHE A 50 -10.486 13.634 13.238 1.00 0.00 C ATOM 794 CG PHE A 50 -11.148 14.752 12.430 1.00 0.00 C ATOM 795 CD1 PHE A 50 -10.779 14.967 11.138 1.00 0.00 C ATOM 796 CD2 PHE A 50 -12.105 15.531 13.002 1.00 0.00 C ATOM 797 CE1 PHE A 50 -11.393 16.005 10.388 1.00 0.00 C ATOM 798 CE2 PHE A 50 -12.719 16.568 12.252 1.00 0.00 C ATOM 799 CZ PHE A 50 -12.350 16.783 10.961 1.00 0.00 C ATOM 0 H PHE A 50 -9.282 11.812 14.205 1.00 0.00 H new ATOM 0 HA PHE A 50 -8.750 13.388 11.934 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -10.971 12.688 12.996 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -10.656 13.817 14.299 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -10.019 14.348 10.683 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -12.398 15.360 14.027 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -11.100 16.176 9.363 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -13.479 17.186 12.707 1.00 0.00 H new ATOM 0 HZ PHE A 50 -12.817 17.572 10.390 1.00 0.00 H new ATOM 809 N GLU A 51 -8.350 14.942 14.816 1.00 0.00 N ATOM 810 CA GLU A 51 -7.725 16.095 15.442 1.00 0.00 C ATOM 811 C GLU A 51 -6.202 15.983 15.361 1.00 0.00 C ATOM 812 O GLU A 51 -5.518 16.964 15.074 1.00 0.00 O ATOM 813 CB GLU A 51 -8.188 16.249 16.892 1.00 0.00 C ATOM 814 CG GLU A 51 -9.004 17.530 17.075 1.00 0.00 C ATOM 815 CD GLU A 51 -8.802 18.114 18.475 1.00 0.00 C ATOM 816 OE1 GLU A 51 -7.720 18.699 18.695 1.00 0.00 O ATOM 817 OE2 GLU A 51 -9.735 17.962 19.293 1.00 0.00 O ATOM 0 H GLU A 51 -8.833 14.316 15.461 1.00 0.00 H new ATOM 0 HA GLU A 51 -8.032 16.989 14.900 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -8.790 15.387 17.179 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -7.322 16.268 17.554 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -8.709 18.264 16.325 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -10.061 17.318 16.915 1.00 0.00 H new ATOM 824 N GLU A 52 -5.714 14.778 15.619 1.00 0.00 N ATOM 825 CA GLU A 52 -4.284 14.525 15.579 1.00 0.00 C ATOM 826 C GLU A 52 -3.735 14.803 14.179 1.00 0.00 C ATOM 827 O GLU A 52 -2.824 15.613 14.015 1.00 0.00 O ATOM 828 CB GLU A 52 -3.968 13.093 16.018 1.00 0.00 C ATOM 829 CG GLU A 52 -2.465 12.904 16.231 1.00 0.00 C ATOM 830 CD GLU A 52 -2.168 11.545 16.867 1.00 0.00 C ATOM 831 OE1 GLU A 52 -2.468 11.404 18.072 1.00 0.00 O ATOM 832 OE2 GLU A 52 -1.648 10.676 16.133 1.00 0.00 O ATOM 0 H GLU A 52 -6.284 13.966 15.857 1.00 0.00 H new ATOM 0 HA GLU A 52 -3.795 15.201 16.280 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -4.501 12.866 16.941 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -4.323 12.391 15.264 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -1.946 12.984 15.276 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -2.082 13.700 16.870 1.00 0.00 H new ATOM 839 N LEU A 53 -4.312 14.115 13.204 1.00 0.00 N ATOM 840 CA LEU A 53 -3.892 14.278 11.823 1.00 0.00 C ATOM 841 C LEU A 53 -3.994 15.754 11.434 1.00 0.00 C ATOM 842 O LEU A 53 -3.020 16.347 10.973 1.00 0.00 O ATOM 843 CB LEU A 53 -4.686 13.343 10.908 1.00 0.00 C ATOM 844 CG LEU A 53 -4.596 11.851 11.232 1.00 0.00 C ATOM 845 CD1 LEU A 53 -5.866 11.118 10.796 1.00 0.00 C ATOM 846 CD2 LEU A 53 -3.338 11.232 10.621 1.00 0.00 C ATOM 0 H LEU A 53 -5.067 13.443 13.344 1.00 0.00 H new ATOM 0 HA LEU A 53 -2.847 13.989 11.705 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -5.735 13.639 10.941 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.345 13.493 9.884 1.00 0.00 H new ATOM 0 HG LEU A 53 -4.516 11.740 12.313 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -5.776 10.059 11.038 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -6.726 11.538 11.318 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -6.002 11.234 9.721 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.299 10.171 10.867 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -3.362 11.353 9.538 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.456 11.730 11.022 1.00 0.00 H new ATOM 858 N ASP A 54 -5.183 16.304 11.633 1.00 0.00 N ATOM 859 CA ASP A 54 -5.426 17.699 11.308 1.00 0.00 C ATOM 860 C ASP A 54 -4.770 18.587 12.368 1.00 0.00 C ATOM 861 O ASP A 54 -5.440 19.067 13.282 1.00 0.00 O ATOM 862 CB ASP A 54 -6.924 18.009 11.294 1.00 0.00 C ATOM 863 CG ASP A 54 -7.341 19.141 10.353 1.00 0.00 C ATOM 864 OD1 ASP A 54 -6.481 19.555 9.546 1.00 0.00 O ATOM 865 OD2 ASP A 54 -8.512 19.566 10.461 1.00 0.00 O ATOM 0 H ASP A 54 -5.988 15.809 12.015 1.00 0.00 H new ATOM 0 HA ASP A 54 -5.008 17.892 10.320 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -7.464 17.105 11.012 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -7.236 18.265 12.306 1.00 0.00 H new ATOM 870 N LYS A 55 -3.468 18.777 12.212 1.00 0.00 N ATOM 871 CA LYS A 55 -2.715 19.598 13.144 1.00 0.00 C ATOM 872 C LYS A 55 -2.472 20.976 12.523 1.00 0.00 C ATOM 873 O LYS A 55 -1.847 21.837 13.140 1.00 0.00 O ATOM 874 CB LYS A 55 -1.432 18.882 13.573 1.00 0.00 C ATOM 875 CG LYS A 55 -0.946 19.394 14.930 1.00 0.00 C ATOM 876 CD LYS A 55 -1.749 18.768 16.072 1.00 0.00 C ATOM 877 CE LYS A 55 -2.695 19.792 16.703 1.00 0.00 C ATOM 878 NZ LYS A 55 -1.968 20.638 17.675 1.00 0.00 N ATOM 0 H LYS A 55 -2.916 18.376 11.454 1.00 0.00 H new ATOM 0 HA LYS A 55 -3.286 19.757 14.059 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -1.612 17.808 13.629 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -0.657 19.037 12.823 1.00 0.00 H new ATOM 0 HG2 LYS A 55 0.111 19.160 15.053 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -1.039 20.479 14.968 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -2.323 17.921 15.696 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -1.068 18.381 16.830 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -3.135 20.417 15.926 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -3.516 19.278 17.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -2.624 21.327 18.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -1.569 20.039 18.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -1.199 21.143 17.189 1.00 0.00 H new ATOM 892 N ASN A 56 -2.980 21.141 11.311 1.00 0.00 N ATOM 893 CA ASN A 56 -2.827 22.398 10.600 1.00 0.00 C ATOM 894 C ASN A 56 -3.960 23.346 10.998 1.00 0.00 C ATOM 895 O ASN A 56 -4.137 24.399 10.388 1.00 0.00 O ATOM 896 CB ASN A 56 -2.896 22.188 9.086 1.00 0.00 C ATOM 897 CG ASN A 56 -4.279 21.685 8.666 1.00 0.00 C ATOM 898 OD1 ASN A 56 -5.202 21.592 9.458 1.00 0.00 O ATOM 899 ND2 ASN A 56 -4.370 21.366 7.378 1.00 0.00 N ATOM 0 H ASN A 56 -3.498 20.424 10.803 1.00 0.00 H new ATOM 0 HA ASN A 56 -1.855 22.816 10.862 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -2.675 23.125 8.575 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -2.135 21.470 8.780 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -5.252 21.020 6.999 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -3.558 21.468 6.769 1.00 0.00 H new ATOM 906 N GLY A 57 -4.699 22.937 12.019 1.00 0.00 N ATOM 907 CA GLY A 57 -5.810 23.737 12.506 1.00 0.00 C ATOM 908 C GLY A 57 -6.546 24.415 11.349 1.00 0.00 C ATOM 909 O GLY A 57 -6.653 25.640 11.310 1.00 0.00 O ATOM 0 H GLY A 57 -4.550 22.062 12.522 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -6.502 23.104 13.061 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -5.442 24.493 13.200 1.00 0.00 H new ATOM 913 N ASP A 58 -7.033 23.590 10.434 1.00 0.00 N ATOM 914 CA ASP A 58 -7.755 24.095 9.279 1.00 0.00 C ATOM 915 C ASP A 58 -9.081 23.343 9.143 1.00 0.00 C ATOM 916 O ASP A 58 -10.147 23.956 9.123 1.00 0.00 O ATOM 917 CB ASP A 58 -6.956 23.880 7.992 1.00 0.00 C ATOM 918 CG ASP A 58 -7.799 23.733 6.724 1.00 0.00 C ATOM 919 OD1 ASP A 58 -8.807 24.466 6.624 1.00 0.00 O ATOM 920 OD2 ASP A 58 -7.417 22.890 5.883 1.00 0.00 O ATOM 0 H ASP A 58 -6.942 22.575 10.469 1.00 0.00 H new ATOM 0 HA ASP A 58 -7.921 25.162 9.426 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -6.274 24.720 7.861 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -6.343 22.986 8.108 1.00 0.00 H new ATOM 925 N GLY A 59 -8.971 22.026 9.054 1.00 0.00 N ATOM 926 CA GLY A 59 -10.148 21.184 8.920 1.00 0.00 C ATOM 927 C GLY A 59 -9.983 20.189 7.770 1.00 0.00 C ATOM 928 O GLY A 59 -10.838 19.330 7.560 1.00 0.00 O ATOM 0 H GLY A 59 -8.085 21.521 9.072 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -10.321 20.644 9.851 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -11.026 21.806 8.744 1.00 0.00 H new ATOM 932 N GLU A 60 -8.879 20.340 7.054 1.00 0.00 N ATOM 933 CA GLU A 60 -8.591 19.465 5.930 1.00 0.00 C ATOM 934 C GLU A 60 -7.307 18.674 6.187 1.00 0.00 C ATOM 935 O GLU A 60 -6.299 19.240 6.608 1.00 0.00 O ATOM 936 CB GLU A 60 -8.492 20.261 4.627 1.00 0.00 C ATOM 937 CG GLU A 60 -9.791 21.021 4.349 1.00 0.00 C ATOM 938 CD GLU A 60 -9.839 22.332 5.136 1.00 0.00 C ATOM 939 OE1 GLU A 60 -10.335 22.287 6.283 1.00 0.00 O ATOM 940 OE2 GLU A 60 -9.378 23.349 4.574 1.00 0.00 O ATOM 0 H GLU A 60 -8.173 21.055 7.230 1.00 0.00 H new ATOM 0 HA GLU A 60 -9.415 18.759 5.825 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -7.661 20.964 4.688 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -8.277 19.585 3.799 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -9.873 21.230 3.282 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -10.645 20.399 4.619 1.00 0.00 H new ATOM 947 N VAL A 61 -7.385 17.378 5.925 1.00 0.00 N ATOM 948 CA VAL A 61 -6.242 16.504 6.123 1.00 0.00 C ATOM 949 C VAL A 61 -5.605 16.189 4.768 1.00 0.00 C ATOM 950 O VAL A 61 -5.568 15.033 4.349 1.00 0.00 O ATOM 951 CB VAL A 61 -6.669 15.250 6.889 1.00 0.00 C ATOM 952 CG1 VAL A 61 -5.563 14.192 6.869 1.00 0.00 C ATOM 953 CG2 VAL A 61 -7.072 15.594 8.324 1.00 0.00 C ATOM 0 H VAL A 61 -8.223 16.912 5.577 1.00 0.00 H new ATOM 0 HA VAL A 61 -5.484 16.998 6.731 1.00 0.00 H new ATOM 0 HB VAL A 61 -7.542 14.832 6.387 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -5.892 13.311 7.420 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -5.344 13.914 5.838 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.664 14.596 7.334 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -7.371 14.685 8.846 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -6.226 16.047 8.841 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -7.906 16.295 8.309 1.00 0.00 H new ATOM 963 N SER A 62 -5.119 17.238 4.121 1.00 0.00 N ATOM 964 CA SER A 62 -4.485 17.088 2.822 1.00 0.00 C ATOM 965 C SER A 62 -3.449 15.963 2.872 1.00 0.00 C ATOM 966 O SER A 62 -3.254 15.339 3.915 1.00 0.00 O ATOM 967 CB SER A 62 -3.828 18.395 2.376 1.00 0.00 C ATOM 968 OG SER A 62 -4.222 19.496 3.190 1.00 0.00 O ATOM 0 H SER A 62 -5.151 18.195 4.472 1.00 0.00 H new ATOM 0 HA SER A 62 -5.254 16.832 2.093 1.00 0.00 H new ATOM 0 HB2 SER A 62 -2.744 18.287 2.413 1.00 0.00 H new ATOM 0 HB3 SER A 62 -4.093 18.598 1.338 1.00 0.00 H new ATOM 0 HG SER A 62 -3.780 20.311 2.874 1.00 0.00 H new ATOM 974 N PHE A 63 -2.811 15.738 1.733 1.00 0.00 N ATOM 975 CA PHE A 63 -1.800 14.699 1.634 1.00 0.00 C ATOM 976 C PHE A 63 -0.607 15.007 2.542 1.00 0.00 C ATOM 977 O PHE A 63 0.145 14.106 2.911 1.00 0.00 O ATOM 978 CB PHE A 63 -1.325 14.675 0.180 1.00 0.00 C ATOM 979 CG PHE A 63 -0.412 13.494 -0.157 1.00 0.00 C ATOM 980 CD1 PHE A 63 -0.789 12.229 0.170 1.00 0.00 C ATOM 981 CD2 PHE A 63 0.776 13.710 -0.783 1.00 0.00 C ATOM 982 CE1 PHE A 63 0.059 11.133 -0.143 1.00 0.00 C ATOM 983 CE2 PHE A 63 1.623 12.614 -1.095 1.00 0.00 C ATOM 984 CZ PHE A 63 1.247 11.348 -0.768 1.00 0.00 C ATOM 0 H PHE A 63 -2.975 16.257 0.871 1.00 0.00 H new ATOM 0 HA PHE A 63 -2.219 13.741 1.941 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -2.195 14.647 -0.475 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -0.795 15.603 -0.034 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -1.732 12.058 0.667 1.00 0.00 H new ATOM 0 HD2 PHE A 63 1.075 14.715 -1.043 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -0.240 10.128 0.116 1.00 0.00 H new ATOM 0 HE2 PHE A 63 2.566 12.785 -1.592 1.00 0.00 H new ATOM 0 HZ PHE A 63 1.892 10.515 -1.005 1.00 0.00 H new ATOM 994 N GLU A 64 -0.472 16.281 2.876 1.00 0.00 N ATOM 995 CA GLU A 64 0.616 16.719 3.735 1.00 0.00 C ATOM 996 C GLU A 64 0.491 16.078 5.118 1.00 0.00 C ATOM 997 O GLU A 64 1.416 15.416 5.586 1.00 0.00 O ATOM 998 CB GLU A 64 0.654 18.245 3.838 1.00 0.00 C ATOM 999 CG GLU A 64 0.145 18.894 2.549 1.00 0.00 C ATOM 1000 CD GLU A 64 0.593 18.099 1.321 1.00 0.00 C ATOM 1001 OE1 GLU A 64 1.737 17.597 1.356 1.00 0.00 O ATOM 1002 OE2 GLU A 64 -0.220 18.010 0.376 1.00 0.00 O ATOM 0 H GLU A 64 -1.098 17.025 2.568 1.00 0.00 H new ATOM 0 HA GLU A 64 1.557 16.395 3.290 1.00 0.00 H new ATOM 0 HB2 GLU A 64 0.043 18.572 4.680 1.00 0.00 H new ATOM 0 HB3 GLU A 64 1.674 18.574 4.037 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -0.943 18.952 2.572 1.00 0.00 H new ATOM 0 HG3 GLU A 64 0.517 19.916 2.481 1.00 0.00 H new ATOM 1009 N GLU A 65 -0.661 16.297 5.735 1.00 0.00 N ATOM 1010 CA GLU A 65 -0.920 15.750 7.056 1.00 0.00 C ATOM 1011 C GLU A 65 -0.889 14.221 7.012 1.00 0.00 C ATOM 1012 O GLU A 65 -0.587 13.573 8.013 1.00 0.00 O ATOM 1013 CB GLU A 65 -2.254 16.256 7.608 1.00 0.00 C ATOM 1014 CG GLU A 65 -2.245 17.779 7.752 1.00 0.00 C ATOM 1015 CD GLU A 65 -2.282 18.191 9.225 1.00 0.00 C ATOM 1016 OE1 GLU A 65 -1.368 17.757 9.959 1.00 0.00 O ATOM 1017 OE2 GLU A 65 -3.223 18.931 9.584 1.00 0.00 O ATOM 0 H GLU A 65 -1.426 16.846 5.344 1.00 0.00 H new ATOM 0 HA GLU A 65 -0.134 16.091 7.730 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -3.064 15.955 6.944 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -2.448 15.797 8.577 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -1.352 18.187 7.279 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -3.104 18.202 7.231 1.00 0.00 H new ATOM 1024 N PHE A 66 -1.207 13.688 5.841 1.00 0.00 N ATOM 1025 CA PHE A 66 -1.220 12.247 5.653 1.00 0.00 C ATOM 1026 C PHE A 66 0.156 11.644 5.942 1.00 0.00 C ATOM 1027 O PHE A 66 0.256 10.577 6.545 1.00 0.00 O ATOM 1028 CB PHE A 66 -1.579 11.990 4.188 1.00 0.00 C ATOM 1029 CG PHE A 66 -2.072 10.569 3.909 1.00 0.00 C ATOM 1030 CD1 PHE A 66 -3.065 10.032 4.668 1.00 0.00 C ATOM 1031 CD2 PHE A 66 -1.518 9.843 2.901 1.00 0.00 C ATOM 1032 CE1 PHE A 66 -3.523 8.713 4.408 1.00 0.00 C ATOM 1033 CE2 PHE A 66 -1.976 8.524 2.641 1.00 0.00 C ATOM 1034 CZ PHE A 66 -2.968 7.987 3.400 1.00 0.00 C ATOM 0 H PHE A 66 -1.458 14.228 5.013 1.00 0.00 H new ATOM 0 HA PHE A 66 -1.938 11.790 6.334 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -2.350 12.698 3.884 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -0.703 12.188 3.570 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -3.505 10.609 5.468 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -0.730 10.270 2.298 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -4.312 8.286 5.010 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -1.536 7.948 1.840 1.00 0.00 H new ATOM 0 HZ PHE A 66 -3.316 6.984 3.203 1.00 0.00 H new ATOM 1044 N GLN A 67 1.183 12.354 5.498 1.00 0.00 N ATOM 1045 CA GLN A 67 2.549 11.902 5.701 1.00 0.00 C ATOM 1046 C GLN A 67 2.854 11.789 7.196 1.00 0.00 C ATOM 1047 O GLN A 67 3.859 11.195 7.585 1.00 0.00 O ATOM 1048 CB GLN A 67 3.544 12.835 5.008 1.00 0.00 C ATOM 1049 CG GLN A 67 3.222 12.971 3.518 1.00 0.00 C ATOM 1050 CD GLN A 67 4.503 13.040 2.684 1.00 0.00 C ATOM 1051 OE1 GLN A 67 5.603 13.161 3.198 1.00 0.00 O ATOM 1052 NE2 GLN A 67 4.300 12.958 1.372 1.00 0.00 N ATOM 0 H GLN A 67 1.096 13.239 4.998 1.00 0.00 H new ATOM 0 HA GLN A 67 2.654 10.914 5.253 1.00 0.00 H new ATOM 0 HB2 GLN A 67 3.517 13.817 5.481 1.00 0.00 H new ATOM 0 HB3 GLN A 67 4.556 12.449 5.131 1.00 0.00 H new ATOM 0 HG2 GLN A 67 2.618 12.123 3.194 1.00 0.00 H new ATOM 0 HG3 GLN A 67 2.627 13.869 3.351 1.00 0.00 H new ATOM 0 HE21 GLN A 67 3.353 12.858 1.008 1.00 0.00 H new ATOM 0 HE22 GLN A 67 5.092 12.995 0.730 1.00 0.00 H new ATOM 1061 N VAL A 68 1.968 12.368 7.993 1.00 0.00 N ATOM 1062 CA VAL A 68 2.130 12.339 9.437 1.00 0.00 C ATOM 1063 C VAL A 68 1.718 10.964 9.965 1.00 0.00 C ATOM 1064 O VAL A 68 2.345 10.433 10.881 1.00 0.00 O ATOM 1065 CB VAL A 68 1.341 13.485 10.075 1.00 0.00 C ATOM 1066 CG1 VAL A 68 1.665 13.611 11.565 1.00 0.00 C ATOM 1067 CG2 VAL A 68 1.602 14.803 9.344 1.00 0.00 C ATOM 0 H VAL A 68 1.136 12.860 7.667 1.00 0.00 H new ATOM 0 HA VAL A 68 3.175 12.491 9.707 1.00 0.00 H new ATOM 0 HB VAL A 68 0.280 13.254 9.981 1.00 0.00 H new ATOM 0 HG11 VAL A 68 1.091 14.433 11.994 1.00 0.00 H new ATOM 0 HG12 VAL A 68 1.405 12.683 12.074 1.00 0.00 H new ATOM 0 HG13 VAL A 68 2.730 13.808 11.690 1.00 0.00 H new ATOM 0 HG21 VAL A 68 1.030 15.601 9.817 1.00 0.00 H new ATOM 0 HG22 VAL A 68 2.665 15.041 9.392 1.00 0.00 H new ATOM 0 HG23 VAL A 68 1.298 14.707 8.302 1.00 0.00 H new ATOM 1077 N LEU A 69 0.667 10.425 9.365 1.00 0.00 N ATOM 1078 CA LEU A 69 0.164 9.121 9.763 1.00 0.00 C ATOM 1079 C LEU A 69 1.093 8.034 9.220 1.00 0.00 C ATOM 1080 O LEU A 69 1.260 6.986 9.843 1.00 0.00 O ATOM 1081 CB LEU A 69 -1.294 8.955 9.333 1.00 0.00 C ATOM 1082 CG LEU A 69 -2.138 7.997 10.176 1.00 0.00 C ATOM 1083 CD1 LEU A 69 -1.938 8.260 11.670 1.00 0.00 C ATOM 1084 CD2 LEU A 69 -3.612 8.065 9.774 1.00 0.00 C ATOM 0 H LEU A 69 0.150 10.868 8.606 1.00 0.00 H new ATOM 0 HA LEU A 69 0.164 9.028 10.849 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.770 9.935 9.348 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.310 8.608 8.300 1.00 0.00 H new ATOM 0 HG LEU A 69 -1.798 6.980 9.980 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -2.549 7.566 12.247 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.888 8.119 11.927 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -2.234 9.283 11.902 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -4.189 7.374 10.389 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -3.983 9.079 9.922 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -3.716 7.790 8.724 1.00 0.00 H new ATOM 1096 N VAL A 70 1.674 8.319 8.064 1.00 0.00 N ATOM 1097 CA VAL A 70 2.582 7.379 7.430 1.00 0.00 C ATOM 1098 C VAL A 70 3.688 7.000 8.417 1.00 0.00 C ATOM 1099 O VAL A 70 4.277 5.925 8.312 1.00 0.00 O ATOM 1100 CB VAL A 70 3.121 7.970 6.126 1.00 0.00 C ATOM 1101 CG1 VAL A 70 4.475 7.356 5.764 1.00 0.00 C ATOM 1102 CG2 VAL A 70 2.116 7.791 4.986 1.00 0.00 C ATOM 0 H VAL A 70 1.533 9.188 7.550 1.00 0.00 H new ATOM 0 HA VAL A 70 2.057 6.462 7.163 1.00 0.00 H new ATOM 0 HB VAL A 70 3.268 9.039 6.279 1.00 0.00 H new ATOM 0 HG11 VAL A 70 4.836 7.793 4.833 1.00 0.00 H new ATOM 0 HG12 VAL A 70 5.191 7.558 6.561 1.00 0.00 H new ATOM 0 HG13 VAL A 70 4.364 6.279 5.640 1.00 0.00 H new ATOM 0 HG21 VAL A 70 2.524 8.220 4.071 1.00 0.00 H new ATOM 0 HG22 VAL A 70 1.923 6.729 4.835 1.00 0.00 H new ATOM 0 HG23 VAL A 70 1.184 8.297 5.240 1.00 0.00 H new ATOM 1112 N LYS A 71 3.937 7.904 9.353 1.00 0.00 N ATOM 1113 CA LYS A 71 4.962 7.678 10.358 1.00 0.00 C ATOM 1114 C LYS A 71 4.493 6.588 11.323 1.00 0.00 C ATOM 1115 O LYS A 71 5.274 5.723 11.716 1.00 0.00 O ATOM 1116 CB LYS A 71 5.335 8.992 11.048 1.00 0.00 C ATOM 1117 CG LYS A 71 6.850 9.109 11.222 1.00 0.00 C ATOM 1118 CD LYS A 71 7.198 9.830 12.526 1.00 0.00 C ATOM 1119 CE LYS A 71 8.338 9.119 13.259 1.00 0.00 C ATOM 1120 NZ LYS A 71 9.566 9.944 13.231 1.00 0.00 N ATOM 0 H LYS A 71 3.447 8.794 9.437 1.00 0.00 H new ATOM 0 HA LYS A 71 5.879 7.318 9.892 1.00 0.00 H new ATOM 0 HB2 LYS A 71 4.967 9.833 10.460 1.00 0.00 H new ATOM 0 HB3 LYS A 71 4.848 9.047 12.022 1.00 0.00 H new ATOM 0 HG2 LYS A 71 7.298 8.115 11.221 1.00 0.00 H new ATOM 0 HG3 LYS A 71 7.276 9.651 10.378 1.00 0.00 H new ATOM 0 HD2 LYS A 71 7.485 10.859 12.311 1.00 0.00 H new ATOM 0 HD3 LYS A 71 6.318 9.872 13.168 1.00 0.00 H new ATOM 0 HE2 LYS A 71 8.048 8.923 14.291 1.00 0.00 H new ATOM 0 HE3 LYS A 71 8.531 8.153 12.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 10.330 9.447 13.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 9.850 10.110 12.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 9.382 10.856 13.696 1.00 0.00 H new ATOM 1134 N LYS A 72 3.218 6.666 11.678 1.00 0.00 N ATOM 1135 CA LYS A 72 2.635 5.697 12.590 1.00 0.00 C ATOM 1136 C LYS A 72 2.535 4.340 11.890 1.00 0.00 C ATOM 1137 O LYS A 72 2.744 3.299 12.512 1.00 0.00 O ATOM 1138 CB LYS A 72 1.300 6.208 13.134 1.00 0.00 C ATOM 1139 CG LYS A 72 1.510 7.399 14.071 1.00 0.00 C ATOM 1140 CD LYS A 72 2.163 6.957 15.382 1.00 0.00 C ATOM 1141 CE LYS A 72 1.313 7.370 16.585 1.00 0.00 C ATOM 1142 NZ LYS A 72 1.788 8.658 17.138 1.00 0.00 N ATOM 0 H LYS A 72 2.573 7.385 11.350 1.00 0.00 H new ATOM 0 HA LYS A 72 3.276 5.561 13.461 1.00 0.00 H new ATOM 0 HB2 LYS A 72 0.654 6.501 12.306 1.00 0.00 H new ATOM 0 HB3 LYS A 72 0.790 5.406 13.668 1.00 0.00 H new ATOM 0 HG2 LYS A 72 2.137 8.145 13.582 1.00 0.00 H new ATOM 0 HG3 LYS A 72 0.552 7.875 14.280 1.00 0.00 H new ATOM 0 HD2 LYS A 72 2.295 5.875 15.380 1.00 0.00 H new ATOM 0 HD3 LYS A 72 3.156 7.399 15.465 1.00 0.00 H new ATOM 0 HE2 LYS A 72 0.269 7.459 16.286 1.00 0.00 H new ATOM 0 HE3 LYS A 72 1.360 6.598 17.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 1.200 8.923 17.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 2.778 8.561 17.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 1.720 9.395 16.408 1.00 0.00 H new ATOM 1156 N ILE A 73 2.214 4.395 10.606 1.00 0.00 N ATOM 1157 CA ILE A 73 2.083 3.184 9.814 1.00 0.00 C ATOM 1158 C ILE A 73 3.475 2.624 9.513 1.00 0.00 C ATOM 1159 O ILE A 73 3.603 1.527 8.971 1.00 0.00 O ATOM 1160 CB ILE A 73 1.243 3.449 8.563 1.00 0.00 C ATOM 1161 CG1 ILE A 73 -0.172 3.894 8.938 1.00 0.00 C ATOM 1162 CG2 ILE A 73 1.235 2.229 7.640 1.00 0.00 C ATOM 1163 CD1 ILE A 73 -0.703 4.929 7.944 1.00 0.00 C ATOM 0 H ILE A 73 2.041 5.260 10.094 1.00 0.00 H new ATOM 0 HA ILE A 73 1.545 2.419 10.374 1.00 0.00 H new ATOM 0 HB ILE A 73 1.702 4.268 8.009 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -0.836 3.030 8.958 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -0.170 4.317 9.943 1.00 0.00 H new ATOM 0 HG21 ILE A 73 0.631 2.444 6.758 1.00 0.00 H new ATOM 0 HG22 ILE A 73 2.255 1.998 7.333 1.00 0.00 H new ATOM 0 HG23 ILE A 73 0.813 1.375 8.170 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.710 5.228 8.234 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -0.051 5.802 7.945 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -0.727 4.495 6.945 1.00 0.00 H new ATOM 1175 N SER A 74 4.483 3.403 9.877 1.00 0.00 N ATOM 1176 CA SER A 74 5.860 2.998 9.652 1.00 0.00 C ATOM 1177 C SER A 74 6.381 2.221 10.862 1.00 0.00 C ATOM 1178 O SER A 74 7.031 1.187 10.708 1.00 0.00 O ATOM 1179 CB SER A 74 6.752 4.211 9.376 1.00 0.00 C ATOM 1180 OG SER A 74 7.660 3.972 8.304 1.00 0.00 O ATOM 0 H SER A 74 4.374 4.312 10.326 1.00 0.00 H new ATOM 0 HA SER A 74 5.888 2.352 8.774 1.00 0.00 H new ATOM 0 HB2 SER A 74 6.129 5.073 9.138 1.00 0.00 H new ATOM 0 HB3 SER A 74 7.312 4.462 10.277 1.00 0.00 H new ATOM 0 HG SER A 74 8.210 4.770 8.157 1.00 0.00 H new ATOM 1186 N GLN A 75 6.078 2.747 12.039 1.00 0.00 N ATOM 1187 CA GLN A 75 6.507 2.115 13.275 1.00 0.00 C ATOM 1188 C GLN A 75 5.743 0.808 13.497 1.00 0.00 C ATOM 1189 O GLN A 75 6.094 0.021 14.374 1.00 0.00 O ATOM 1190 CB GLN A 75 6.332 3.061 14.465 1.00 0.00 C ATOM 1191 CG GLN A 75 7.576 3.058 15.356 1.00 0.00 C ATOM 1192 CD GLN A 75 8.648 4.000 14.804 1.00 0.00 C ATOM 1193 OE1 GLN A 75 9.782 3.620 14.566 1.00 0.00 O ATOM 1194 NE2 GLN A 75 8.226 5.247 14.614 1.00 0.00 N ATOM 0 H GLN A 75 5.540 3.605 12.163 1.00 0.00 H new ATOM 0 HA GLN A 75 7.569 1.883 13.191 1.00 0.00 H new ATOM 0 HB2 GLN A 75 6.141 4.072 14.105 1.00 0.00 H new ATOM 0 HB3 GLN A 75 5.462 2.760 15.048 1.00 0.00 H new ATOM 0 HG2 GLN A 75 7.305 3.363 16.367 1.00 0.00 H new ATOM 0 HG3 GLN A 75 7.976 2.046 15.425 1.00 0.00 H new ATOM 0 HE21 GLN A 75 7.262 5.498 14.834 1.00 0.00 H new ATOM 0 HE22 GLN A 75 8.866 5.952 14.248 1.00 0.00 H new