USER MOD reduce.3.24.130724 H: found=0, std=0, add=534, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 536 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+ 178:sc= 0.278 (180deg=0.277) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot -120:sc= -1.21 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 GLN : amide:sc= -2.6! C(o=-2.6!,f=-4.8!) USER MOD Single : A 24 SER OG : rot -140:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 159:sc= 0.00253 (180deg=0) 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= 0.0712 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 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.653 USER MOD Single : A 62 SER OG : rot 180:sc= 0.0426 USER MOD Single : A 67 GLN :FLIP amide:sc= -3.12! C(o=-4.5!,f=-3.1!) 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= -0.725 X(o=-0.72,f=-0.66) USER MOD ----------------------------------------------------------------- ATOM 63 N GLU A 5 10.692 -9.447 -2.371 1.00 0.00 N ATOM 64 CA GLU A 5 10.954 -8.512 -1.290 1.00 0.00 C ATOM 65 C GLU A 5 9.723 -7.641 -1.032 1.00 0.00 C ATOM 66 O GLU A 5 9.219 -7.588 0.089 1.00 0.00 O ATOM 67 CB GLU A 5 12.182 -7.652 -1.594 1.00 0.00 C ATOM 68 CG GLU A 5 13.421 -8.190 -0.876 1.00 0.00 C ATOM 69 CD GLU A 5 14.196 -7.059 -0.198 1.00 0.00 C ATOM 70 OE1 GLU A 5 13.835 -6.736 0.955 1.00 0.00 O ATOM 71 OE2 GLU A 5 15.132 -6.544 -0.846 1.00 0.00 O ATOM 0 HA GLU A 5 11.167 -9.082 -0.386 1.00 0.00 H new ATOM 0 HB2 GLU A 5 12.360 -7.634 -2.669 1.00 0.00 H new ATOM 0 HB3 GLU A 5 11.996 -6.624 -1.284 1.00 0.00 H new ATOM 0 HG2 GLU A 5 13.122 -8.928 -0.132 1.00 0.00 H new ATOM 0 HG3 GLU A 5 14.067 -8.701 -1.590 1.00 0.00 H new ATOM 78 N LEU A 6 9.275 -6.979 -2.089 1.00 0.00 N ATOM 79 CA LEU A 6 8.113 -6.112 -1.991 1.00 0.00 C ATOM 80 C LEU A 6 6.972 -6.871 -1.311 1.00 0.00 C ATOM 81 O LEU A 6 6.405 -6.397 -0.328 1.00 0.00 O ATOM 82 CB LEU A 6 7.746 -5.551 -3.366 1.00 0.00 C ATOM 83 CG LEU A 6 8.283 -4.155 -3.686 1.00 0.00 C ATOM 84 CD1 LEU A 6 8.168 -3.853 -5.182 1.00 0.00 C ATOM 85 CD2 LEU A 6 7.592 -3.091 -2.831 1.00 0.00 C ATOM 0 H LEU A 6 9.696 -7.026 -3.017 1.00 0.00 H new ATOM 0 HA LEU A 6 8.335 -5.245 -1.368 1.00 0.00 H new ATOM 0 HB2 LEU A 6 8.109 -6.242 -4.127 1.00 0.00 H new ATOM 0 HB3 LEU A 6 6.659 -5.528 -3.449 1.00 0.00 H new ATOM 0 HG LEU A 6 9.343 -4.131 -3.433 1.00 0.00 H new ATOM 0 HD11 LEU A 6 8.557 -2.855 -5.383 1.00 0.00 H new ATOM 0 HD12 LEU A 6 8.744 -4.587 -5.747 1.00 0.00 H new ATOM 0 HD13 LEU A 6 7.122 -3.902 -5.484 1.00 0.00 H new ATOM 0 HD21 LEU A 6 7.993 -2.108 -3.079 1.00 0.00 H new ATOM 0 HD22 LEU A 6 6.520 -3.106 -3.028 1.00 0.00 H new ATOM 0 HD23 LEU A 6 7.770 -3.300 -1.776 1.00 0.00 H new ATOM 97 N LYS A 7 6.668 -8.037 -1.863 1.00 0.00 N ATOM 98 CA LYS A 7 5.605 -8.867 -1.322 1.00 0.00 C ATOM 99 C LYS A 7 5.837 -9.074 0.176 1.00 0.00 C ATOM 100 O LYS A 7 5.001 -8.696 0.995 1.00 0.00 O ATOM 101 CB LYS A 7 5.489 -10.171 -2.113 1.00 0.00 C ATOM 102 CG LYS A 7 4.036 -10.647 -2.177 1.00 0.00 C ATOM 103 CD LYS A 7 3.608 -11.282 -0.852 1.00 0.00 C ATOM 104 CE LYS A 7 2.318 -12.086 -1.022 1.00 0.00 C ATOM 105 NZ LYS A 7 2.368 -13.323 -0.211 1.00 0.00 N ATOM 0 H LYS A 7 7.139 -8.426 -2.679 1.00 0.00 H new ATOM 0 HA LYS A 7 4.641 -8.370 -1.429 1.00 0.00 H new ATOM 0 HB2 LYS A 7 5.872 -10.023 -3.123 1.00 0.00 H new ATOM 0 HB3 LYS A 7 6.107 -10.939 -1.647 1.00 0.00 H new ATOM 0 HG2 LYS A 7 3.384 -9.805 -2.408 1.00 0.00 H new ATOM 0 HG3 LYS A 7 3.922 -11.370 -2.985 1.00 0.00 H new ATOM 0 HD2 LYS A 7 4.401 -11.933 -0.484 1.00 0.00 H new ATOM 0 HD3 LYS A 7 3.460 -10.504 -0.103 1.00 0.00 H new ATOM 0 HE2 LYS A 7 1.463 -11.481 -0.721 1.00 0.00 H new ATOM 0 HE3 LYS A 7 2.176 -12.338 -2.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 1.471 -13.840 -0.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 3.152 -13.922 -0.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 2.516 -13.077 0.789 1.00 0.00 H new ATOM 119 N GLY A 8 6.976 -9.673 0.488 1.00 0.00 N ATOM 120 CA GLY A 8 7.329 -9.935 1.874 1.00 0.00 C ATOM 121 C GLY A 8 7.176 -8.674 2.726 1.00 0.00 C ATOM 122 O GLY A 8 6.505 -8.694 3.757 1.00 0.00 O ATOM 0 H GLY A 8 7.667 -9.985 -0.194 1.00 0.00 H new ATOM 0 HA2 GLY A 8 6.693 -10.726 2.272 1.00 0.00 H new ATOM 0 HA3 GLY A 8 8.357 -10.293 1.930 1.00 0.00 H new ATOM 126 N ILE A 9 7.809 -7.605 2.264 1.00 0.00 N ATOM 127 CA ILE A 9 7.752 -6.337 2.971 1.00 0.00 C ATOM 128 C ILE A 9 6.289 -5.945 3.187 1.00 0.00 C ATOM 129 O ILE A 9 5.877 -5.669 4.313 1.00 0.00 O ATOM 130 CB ILE A 9 8.571 -5.276 2.234 1.00 0.00 C ATOM 131 CG1 ILE A 9 10.063 -5.422 2.543 1.00 0.00 C ATOM 132 CG2 ILE A 9 8.056 -3.870 2.548 1.00 0.00 C ATOM 133 CD1 ILE A 9 10.895 -4.459 1.695 1.00 0.00 C ATOM 0 H ILE A 9 8.364 -7.591 1.408 1.00 0.00 H new ATOM 0 HA ILE A 9 8.207 -6.429 3.957 1.00 0.00 H new ATOM 0 HB ILE A 9 8.447 -5.433 1.162 1.00 0.00 H new ATOM 0 HG12 ILE A 9 10.240 -5.227 3.601 1.00 0.00 H new ATOM 0 HG13 ILE A 9 10.379 -6.447 2.351 1.00 0.00 H new ATOM 0 HG21 ILE A 9 8.656 -3.135 2.011 1.00 0.00 H new ATOM 0 HG22 ILE A 9 7.015 -3.786 2.237 1.00 0.00 H new ATOM 0 HG23 ILE A 9 8.130 -3.686 3.620 1.00 0.00 H new ATOM 0 HD11 ILE A 9 11.951 -4.583 1.934 1.00 0.00 H new ATOM 0 HD12 ILE A 9 10.735 -4.673 0.638 1.00 0.00 H new ATOM 0 HD13 ILE A 9 10.593 -3.433 1.907 1.00 0.00 H new ATOM 145 N PHE A 10 5.545 -5.932 2.092 1.00 0.00 N ATOM 146 CA PHE A 10 4.137 -5.577 2.148 1.00 0.00 C ATOM 147 C PHE A 10 3.413 -6.375 3.234 1.00 0.00 C ATOM 148 O PHE A 10 2.728 -5.801 4.079 1.00 0.00 O ATOM 149 CB PHE A 10 3.533 -5.928 0.786 1.00 0.00 C ATOM 150 CG PHE A 10 2.025 -6.186 0.822 1.00 0.00 C ATOM 151 CD1 PHE A 10 1.554 -7.419 1.151 1.00 0.00 C ATOM 152 CD2 PHE A 10 1.156 -5.183 0.525 1.00 0.00 C ATOM 153 CE1 PHE A 10 0.155 -7.658 1.184 1.00 0.00 C ATOM 154 CE2 PHE A 10 -0.243 -5.422 0.559 1.00 0.00 C ATOM 155 CZ PHE A 10 -0.714 -6.655 0.887 1.00 0.00 C ATOM 0 H PHE A 10 5.890 -6.162 1.160 1.00 0.00 H new ATOM 0 HA PHE A 10 4.029 -4.518 2.381 1.00 0.00 H new ATOM 0 HB2 PHE A 10 3.736 -5.114 0.090 1.00 0.00 H new ATOM 0 HB3 PHE A 10 4.034 -6.814 0.395 1.00 0.00 H new ATOM 0 HD1 PHE A 10 2.244 -8.216 1.387 1.00 0.00 H new ATOM 0 HD2 PHE A 10 1.530 -4.204 0.263 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -0.219 -8.637 1.445 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -0.933 -4.625 0.324 1.00 0.00 H new ATOM 0 HZ PHE A 10 -1.778 -6.838 0.912 1.00 0.00 H new ATOM 165 N GLU A 11 3.590 -7.687 3.177 1.00 0.00 N ATOM 166 CA GLU A 11 2.963 -8.570 4.146 1.00 0.00 C ATOM 167 C GLU A 11 3.450 -8.239 5.558 1.00 0.00 C ATOM 168 O GLU A 11 2.649 -8.134 6.486 1.00 0.00 O ATOM 169 CB GLU A 11 3.229 -10.037 3.803 1.00 0.00 C ATOM 170 CG GLU A 11 1.932 -10.755 3.424 1.00 0.00 C ATOM 171 CD GLU A 11 2.049 -12.262 3.664 1.00 0.00 C ATOM 172 OE1 GLU A 11 2.775 -12.907 2.878 1.00 0.00 O ATOM 173 OE2 GLU A 11 1.411 -12.734 4.630 1.00 0.00 O ATOM 0 H GLU A 11 4.159 -8.160 2.475 1.00 0.00 H new ATOM 0 HA GLU A 11 1.885 -8.413 4.109 1.00 0.00 H new ATOM 0 HB2 GLU A 11 3.938 -10.098 2.977 1.00 0.00 H new ATOM 0 HB3 GLU A 11 3.689 -10.536 4.656 1.00 0.00 H new ATOM 0 HG2 GLU A 11 1.105 -10.353 4.010 1.00 0.00 H new ATOM 0 HG3 GLU A 11 1.701 -10.567 2.375 1.00 0.00 H new ATOM 180 N LYS A 12 4.760 -8.086 5.677 1.00 0.00 N ATOM 181 CA LYS A 12 5.363 -7.770 6.961 1.00 0.00 C ATOM 182 C LYS A 12 4.514 -6.714 7.672 1.00 0.00 C ATOM 183 O LYS A 12 4.444 -6.692 8.900 1.00 0.00 O ATOM 184 CB LYS A 12 6.827 -7.362 6.780 1.00 0.00 C ATOM 185 CG LYS A 12 7.584 -7.434 8.107 1.00 0.00 C ATOM 186 CD LYS A 12 8.641 -6.331 8.196 1.00 0.00 C ATOM 187 CE LYS A 12 9.742 -6.705 9.190 1.00 0.00 C ATOM 188 NZ LYS A 12 10.757 -5.630 9.267 1.00 0.00 N ATOM 0 H LYS A 12 5.421 -8.175 4.906 1.00 0.00 H new ATOM 0 HA LYS A 12 5.379 -8.652 7.602 1.00 0.00 H new ATOM 0 HB2 LYS A 12 7.303 -8.016 6.050 1.00 0.00 H new ATOM 0 HB3 LYS A 12 6.879 -6.349 6.382 1.00 0.00 H new ATOM 0 HG2 LYS A 12 6.882 -7.338 8.936 1.00 0.00 H new ATOM 0 HG3 LYS A 12 8.061 -8.409 8.205 1.00 0.00 H new ATOM 0 HD2 LYS A 12 9.077 -6.160 7.212 1.00 0.00 H new ATOM 0 HD3 LYS A 12 8.171 -5.396 8.503 1.00 0.00 H new ATOM 0 HE2 LYS A 12 9.308 -6.875 10.175 1.00 0.00 H new ATOM 0 HE3 LYS A 12 10.215 -7.638 8.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 11.497 -5.899 9.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 11.183 -5.487 8.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 10.305 -4.747 9.580 1.00 0.00 H new ATOM 202 N TYR A 13 3.891 -5.863 6.870 1.00 0.00 N ATOM 203 CA TYR A 13 3.050 -4.808 7.407 1.00 0.00 C ATOM 204 C TYR A 13 1.581 -5.235 7.431 1.00 0.00 C ATOM 205 O TYR A 13 0.900 -5.076 8.443 1.00 0.00 O ATOM 206 CB TYR A 13 3.207 -3.619 6.457 1.00 0.00 C ATOM 207 CG TYR A 13 4.139 -2.524 6.979 1.00 0.00 C ATOM 208 CD1 TYR A 13 3.659 -1.568 7.851 1.00 0.00 C ATOM 209 CD2 TYR A 13 5.459 -2.492 6.578 1.00 0.00 C ATOM 210 CE1 TYR A 13 4.537 -0.537 8.343 1.00 0.00 C ATOM 211 CE2 TYR A 13 6.336 -1.461 7.070 1.00 0.00 C ATOM 212 CZ TYR A 13 5.832 -0.534 7.928 1.00 0.00 C ATOM 213 OH TYR A 13 6.660 0.439 8.392 1.00 0.00 O ATOM 0 H TYR A 13 3.952 -5.883 5.852 1.00 0.00 H new ATOM 0 HA TYR A 13 3.342 -4.568 8.429 1.00 0.00 H new ATOM 0 HB2 TYR A 13 3.586 -3.979 5.501 1.00 0.00 H new ATOM 0 HB3 TYR A 13 2.225 -3.186 6.268 1.00 0.00 H new ATOM 0 HD1 TYR A 13 2.626 -1.593 8.164 1.00 0.00 H new ATOM 0 HD2 TYR A 13 5.834 -3.240 5.895 1.00 0.00 H new ATOM 0 HE1 TYR A 13 4.175 0.217 9.026 1.00 0.00 H new ATOM 0 HE2 TYR A 13 7.371 -1.425 6.764 1.00 0.00 H new ATOM 0 HH TYR A 13 7.008 0.959 7.638 1.00 0.00 H new ATOM 223 N ALA A 14 1.135 -5.770 6.304 1.00 0.00 N ATOM 224 CA ALA A 14 -0.241 -6.222 6.182 1.00 0.00 C ATOM 225 C ALA A 14 -0.572 -7.152 7.351 1.00 0.00 C ATOM 226 O ALA A 14 -1.724 -7.235 7.776 1.00 0.00 O ATOM 227 CB ALA A 14 -0.438 -6.899 4.825 1.00 0.00 C ATOM 0 H ALA A 14 1.702 -5.901 5.467 1.00 0.00 H new ATOM 0 HA ALA A 14 -0.928 -5.377 6.227 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -1.470 -7.238 4.734 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -0.218 -6.188 4.028 1.00 0.00 H new ATOM 0 HB3 ALA A 14 0.233 -7.754 4.744 1.00 0.00 H new ATOM 233 N ALA A 15 0.458 -7.828 7.838 1.00 0.00 N ATOM 234 CA ALA A 15 0.290 -8.749 8.950 1.00 0.00 C ATOM 235 C ALA A 15 0.113 -7.953 10.244 1.00 0.00 C ATOM 236 O ALA A 15 -0.611 -8.376 11.144 1.00 0.00 O ATOM 237 CB ALA A 15 1.487 -9.701 9.010 1.00 0.00 C ATOM 0 H ALA A 15 1.412 -7.757 7.483 1.00 0.00 H new ATOM 0 HA ALA A 15 -0.604 -9.357 8.813 1.00 0.00 H new ATOM 0 HB1 ALA A 15 1.361 -10.392 9.844 1.00 0.00 H new ATOM 0 HB2 ALA A 15 1.551 -10.264 8.079 1.00 0.00 H new ATOM 0 HB3 ALA A 15 2.402 -9.126 9.150 1.00 0.00 H new ATOM 243 N LYS A 16 0.787 -6.813 10.297 1.00 0.00 N ATOM 244 CA LYS A 16 0.713 -5.954 11.466 1.00 0.00 C ATOM 245 C LYS A 16 -0.752 -5.632 11.765 1.00 0.00 C ATOM 246 O LYS A 16 -1.264 -5.982 12.827 1.00 0.00 O ATOM 247 CB LYS A 16 1.590 -4.714 11.276 1.00 0.00 C ATOM 248 CG LYS A 16 2.683 -4.647 12.344 1.00 0.00 C ATOM 249 CD LYS A 16 3.387 -3.288 12.322 1.00 0.00 C ATOM 250 CE LYS A 16 3.840 -2.883 13.727 1.00 0.00 C ATOM 251 NZ LYS A 16 5.247 -2.424 13.705 1.00 0.00 N ATOM 0 H LYS A 16 1.387 -6.465 9.549 1.00 0.00 H new ATOM 0 HA LYS A 16 1.112 -6.466 12.342 1.00 0.00 H new ATOM 0 HB2 LYS A 16 2.045 -4.734 10.286 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.973 -3.817 11.325 1.00 0.00 H new ATOM 0 HG2 LYS A 16 2.246 -4.819 13.328 1.00 0.00 H new ATOM 0 HG3 LYS A 16 3.411 -5.441 12.175 1.00 0.00 H new ATOM 0 HD2 LYS A 16 4.249 -3.332 11.656 1.00 0.00 H new ATOM 0 HD3 LYS A 16 2.713 -2.531 11.921 1.00 0.00 H new ATOM 0 HE2 LYS A 16 3.198 -2.089 14.108 1.00 0.00 H new ATOM 0 HE3 LYS A 16 3.738 -3.729 14.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 5.539 -2.153 14.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 5.858 -3.193 13.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 5.335 -1.603 13.072 1.00 0.00 H new ATOM 265 N GLU A 17 -1.385 -4.967 10.810 1.00 0.00 N ATOM 266 CA GLU A 17 -2.782 -4.594 10.957 1.00 0.00 C ATOM 267 C GLU A 17 -3.664 -5.479 10.075 1.00 0.00 C ATOM 268 O GLU A 17 -3.404 -5.630 8.883 1.00 0.00 O ATOM 269 CB GLU A 17 -2.991 -3.114 10.631 1.00 0.00 C ATOM 270 CG GLU A 17 -2.241 -2.222 11.623 1.00 0.00 C ATOM 271 CD GLU A 17 -3.124 -1.067 12.099 1.00 0.00 C ATOM 272 OE1 GLU A 17 -3.409 -0.187 11.258 1.00 0.00 O ATOM 273 OE2 GLU A 17 -3.494 -1.091 13.293 1.00 0.00 O ATOM 0 H GLU A 17 -0.956 -4.677 9.931 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.071 -4.748 11.997 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -2.645 -2.909 9.618 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -4.055 -2.879 10.658 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -1.919 -2.815 12.479 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -1.341 -1.826 11.153 1.00 0.00 H new ATOM 280 N GLY A 18 -4.690 -6.043 10.696 1.00 0.00 N ATOM 281 CA GLY A 18 -5.613 -6.909 9.983 1.00 0.00 C ATOM 282 C GLY A 18 -4.860 -8.002 9.220 1.00 0.00 C ATOM 283 O GLY A 18 -3.631 -8.034 9.228 1.00 0.00 O ATOM 0 H GLY A 18 -4.902 -5.917 11.686 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -6.308 -7.365 10.688 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -6.208 -6.318 9.287 1.00 0.00 H new ATOM 287 N ASP A 19 -5.630 -8.870 8.581 1.00 0.00 N ATOM 288 CA ASP A 19 -5.052 -9.961 7.815 1.00 0.00 C ATOM 289 C ASP A 19 -3.852 -9.441 7.021 1.00 0.00 C ATOM 290 O ASP A 19 -3.746 -8.243 6.762 1.00 0.00 O ATOM 291 CB ASP A 19 -6.064 -10.534 6.821 1.00 0.00 C ATOM 292 CG ASP A 19 -6.215 -12.056 6.856 1.00 0.00 C ATOM 293 OD1 ASP A 19 -6.114 -12.610 7.972 1.00 0.00 O ATOM 294 OD2 ASP A 19 -6.428 -12.630 5.767 1.00 0.00 O ATOM 0 H ASP A 19 -6.650 -8.840 8.578 1.00 0.00 H new ATOM 0 HA ASP A 19 -4.752 -10.742 8.514 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -7.037 -10.083 7.016 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -5.770 -10.236 5.814 1.00 0.00 H new ATOM 299 N PRO A 20 -2.955 -10.392 6.646 1.00 0.00 N ATOM 300 CA PRO A 20 -1.766 -10.042 5.887 1.00 0.00 C ATOM 301 C PRO A 20 -2.116 -9.747 4.427 1.00 0.00 C ATOM 302 O PRO A 20 -1.237 -9.431 3.626 1.00 0.00 O ATOM 303 CB PRO A 20 -0.834 -11.232 6.046 1.00 0.00 C ATOM 304 CG PRO A 20 -1.709 -12.390 6.496 1.00 0.00 C ATOM 305 CD PRO A 20 -3.047 -11.820 6.934 1.00 0.00 C ATOM 0 HA PRO A 20 -1.290 -9.130 6.246 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -0.333 -11.464 5.106 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -0.055 -11.023 6.780 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -1.846 -13.103 5.683 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -1.236 -12.929 7.317 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -3.871 -12.281 6.390 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -3.226 -11.999 7.994 1.00 0.00 H new ATOM 313 N ASN A 21 -3.401 -9.861 4.125 1.00 0.00 N ATOM 314 CA ASN A 21 -3.877 -9.610 2.775 1.00 0.00 C ATOM 315 C ASN A 21 -4.529 -8.227 2.717 1.00 0.00 C ATOM 316 O ASN A 21 -4.829 -7.723 1.636 1.00 0.00 O ATOM 317 CB ASN A 21 -4.926 -10.644 2.360 1.00 0.00 C ATOM 318 CG ASN A 21 -4.263 -11.895 1.779 1.00 0.00 C ATOM 319 OD1 ASN A 21 -4.004 -11.997 0.592 1.00 0.00 O ATOM 320 ND2 ASN A 21 -4.003 -12.838 2.681 1.00 0.00 N ATOM 0 H ASN A 21 -4.127 -10.124 4.792 1.00 0.00 H new ATOM 0 HA ASN A 21 -3.023 -9.670 2.100 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -5.534 -10.917 3.223 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -5.599 -10.208 1.621 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -3.561 -13.711 2.393 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -4.246 -12.688 3.660 1.00 0.00 H new ATOM 327 N GLN A 22 -4.728 -7.653 3.894 1.00 0.00 N ATOM 328 CA GLN A 22 -5.339 -6.337 3.991 1.00 0.00 C ATOM 329 C GLN A 22 -4.333 -5.325 4.542 1.00 0.00 C ATOM 330 O GLN A 22 -3.494 -5.667 5.374 1.00 0.00 O ATOM 331 CB GLN A 22 -6.601 -6.381 4.855 1.00 0.00 C ATOM 332 CG GLN A 22 -6.293 -6.930 6.249 1.00 0.00 C ATOM 333 CD GLN A 22 -7.565 -7.025 7.094 1.00 0.00 C ATOM 334 OE1 GLN A 22 -8.229 -8.047 7.148 1.00 0.00 O ATOM 335 NE2 GLN A 22 -7.865 -5.907 7.748 1.00 0.00 N ATOM 0 H GLN A 22 -4.477 -8.074 4.789 1.00 0.00 H new ATOM 0 HA GLN A 22 -5.634 -6.020 2.991 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -7.023 -5.380 4.940 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -7.354 -7.004 4.373 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -5.835 -7.915 6.163 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -5.569 -6.284 6.746 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -7.265 -5.087 7.658 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -8.695 -5.869 8.340 1.00 0.00 H new ATOM 344 N LEU A 23 -4.449 -4.098 4.055 1.00 0.00 N ATOM 345 CA LEU A 23 -3.561 -3.033 4.488 1.00 0.00 C ATOM 346 C LEU A 23 -4.367 -1.980 5.250 1.00 0.00 C ATOM 347 O LEU A 23 -5.592 -2.064 5.323 1.00 0.00 O ATOM 348 CB LEU A 23 -2.781 -2.469 3.299 1.00 0.00 C ATOM 349 CG LEU A 23 -1.570 -3.286 2.843 1.00 0.00 C ATOM 350 CD1 LEU A 23 -0.270 -2.687 3.382 1.00 0.00 C ATOM 351 CD2 LEU A 23 -1.726 -4.759 3.227 1.00 0.00 C ATOM 0 H LEU A 23 -5.145 -3.818 3.364 1.00 0.00 H new ATOM 0 HA LEU A 23 -2.810 -3.420 5.177 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.465 -2.368 2.456 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -2.442 -1.465 3.556 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.518 -3.241 1.755 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.575 -3.287 3.043 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.160 -1.666 3.016 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -0.297 -2.681 4.472 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.852 -5.317 2.891 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.818 -4.845 4.310 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.620 -5.166 2.754 1.00 0.00 H new ATOM 363 N SER A 24 -3.647 -1.012 5.798 1.00 0.00 N ATOM 364 CA SER A 24 -4.281 0.057 6.551 1.00 0.00 C ATOM 365 C SER A 24 -3.601 1.392 6.239 1.00 0.00 C ATOM 366 O SER A 24 -2.418 1.426 5.905 1.00 0.00 O ATOM 367 CB SER A 24 -4.232 -0.225 8.055 1.00 0.00 C ATOM 368 OG SER A 24 -4.567 -1.577 8.356 1.00 0.00 O ATOM 0 H SER A 24 -2.631 -0.946 5.736 1.00 0.00 H new ATOM 0 HA SER A 24 -5.328 0.111 6.252 1.00 0.00 H new ATOM 0 HB2 SER A 24 -3.233 -0.006 8.432 1.00 0.00 H new ATOM 0 HB3 SER A 24 -4.921 0.443 8.572 1.00 0.00 H new ATOM 0 HG SER A 24 -5.123 -1.604 9.163 1.00 0.00 H new ATOM 374 N LYS A 25 -4.379 2.458 6.359 1.00 0.00 N ATOM 375 CA LYS A 25 -3.866 3.791 6.094 1.00 0.00 C ATOM 376 C LYS A 25 -2.555 3.990 6.856 1.00 0.00 C ATOM 377 O LYS A 25 -1.517 4.258 6.253 1.00 0.00 O ATOM 378 CB LYS A 25 -4.928 4.846 6.411 1.00 0.00 C ATOM 379 CG LYS A 25 -4.509 6.221 5.886 1.00 0.00 C ATOM 380 CD LYS A 25 -4.828 7.317 6.905 1.00 0.00 C ATOM 381 CE LYS A 25 -6.144 8.018 6.562 1.00 0.00 C ATOM 382 NZ LYS A 25 -7.203 7.627 7.519 1.00 0.00 N ATOM 0 H LYS A 25 -5.360 2.425 6.636 1.00 0.00 H new ATOM 0 HA LYS A 25 -3.639 3.908 5.034 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -5.879 4.556 5.963 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -5.085 4.897 7.488 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -3.441 6.221 5.669 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -5.025 6.429 4.949 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -4.892 6.883 7.903 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -4.018 8.046 6.926 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -6.004 9.099 6.586 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -6.448 7.758 5.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -7.958 8.342 7.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -7.596 6.705 7.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -6.799 7.560 8.475 1.00 0.00 H new ATOM 396 N GLU A 26 -2.644 3.851 8.170 1.00 0.00 N ATOM 397 CA GLU A 26 -1.477 4.012 9.021 1.00 0.00 C ATOM 398 C GLU A 26 -0.352 3.082 8.561 1.00 0.00 C ATOM 399 O GLU A 26 0.808 3.488 8.502 1.00 0.00 O ATOM 400 CB GLU A 26 -1.830 3.760 10.489 1.00 0.00 C ATOM 401 CG GLU A 26 -1.527 4.992 11.344 1.00 0.00 C ATOM 402 CD GLU A 26 -0.769 4.603 12.616 1.00 0.00 C ATOM 403 OE1 GLU A 26 0.460 4.404 12.506 1.00 0.00 O ATOM 404 OE2 GLU A 26 -1.437 4.514 13.669 1.00 0.00 O ATOM 0 H GLU A 26 -3.507 3.629 8.667 1.00 0.00 H new ATOM 0 HA GLU A 26 -1.129 5.041 8.936 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -2.886 3.504 10.574 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -1.264 2.906 10.862 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -0.936 5.703 10.767 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -2.458 5.493 11.610 1.00 0.00 H new ATOM 411 N GLU A 27 -0.735 1.854 8.246 1.00 0.00 N ATOM 412 CA GLU A 27 0.228 0.864 7.792 1.00 0.00 C ATOM 413 C GLU A 27 0.901 1.331 6.500 1.00 0.00 C ATOM 414 O GLU A 27 2.105 1.583 6.480 1.00 0.00 O ATOM 415 CB GLU A 27 -0.438 -0.501 7.601 1.00 0.00 C ATOM 416 CG GLU A 27 -0.645 -1.203 8.945 1.00 0.00 C ATOM 417 CD GLU A 27 -0.136 -2.645 8.894 1.00 0.00 C ATOM 418 OE1 GLU A 27 -0.903 -3.501 8.403 1.00 0.00 O ATOM 419 OE2 GLU A 27 1.010 -2.859 9.347 1.00 0.00 O ATOM 0 H GLU A 27 -1.698 1.521 8.296 1.00 0.00 H new ATOM 0 HA GLU A 27 0.995 0.754 8.559 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -1.398 -0.374 7.101 1.00 0.00 H new ATOM 0 HB3 GLU A 27 0.179 -1.123 6.953 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -0.122 -0.656 9.729 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -1.704 -1.196 9.204 1.00 0.00 H new ATOM 426 N LEU A 28 0.095 1.433 5.454 1.00 0.00 N ATOM 427 CA LEU A 28 0.598 1.866 4.161 1.00 0.00 C ATOM 428 C LEU A 28 1.486 3.097 4.350 1.00 0.00 C ATOM 429 O LEU A 28 2.601 3.147 3.834 1.00 0.00 O ATOM 430 CB LEU A 28 -0.558 2.086 3.183 1.00 0.00 C ATOM 431 CG LEU A 28 -0.203 2.008 1.697 1.00 0.00 C ATOM 432 CD1 LEU A 28 1.050 1.157 1.476 1.00 0.00 C ATOM 433 CD2 LEU A 28 -1.390 1.503 0.875 1.00 0.00 C ATOM 0 H LEU A 28 -0.903 1.223 5.475 1.00 0.00 H new ATOM 0 HA LEU A 28 1.220 1.090 3.715 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.330 1.345 3.391 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.994 3.065 3.381 1.00 0.00 H new ATOM 0 HG LEU A 28 0.025 3.015 1.348 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.280 1.118 0.411 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.889 1.599 2.013 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.874 0.147 1.846 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.110 1.457 -0.178 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.674 0.508 1.219 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -2.233 2.183 0.997 1.00 0.00 H new ATOM 445 N LYS A 29 0.958 4.059 5.092 1.00 0.00 N ATOM 446 CA LYS A 29 1.689 5.287 5.356 1.00 0.00 C ATOM 447 C LYS A 29 3.160 4.954 5.617 1.00 0.00 C ATOM 448 O LYS A 29 4.046 5.459 4.929 1.00 0.00 O ATOM 449 CB LYS A 29 1.026 6.072 6.489 1.00 0.00 C ATOM 450 CG LYS A 29 1.697 7.435 6.678 1.00 0.00 C ATOM 451 CD LYS A 29 0.677 8.496 7.094 1.00 0.00 C ATOM 452 CE LYS A 29 0.505 8.525 8.614 1.00 0.00 C ATOM 453 NZ LYS A 29 0.020 9.852 9.056 1.00 0.00 N ATOM 0 H LYS A 29 0.033 4.013 5.519 1.00 0.00 H new ATOM 0 HA LYS A 29 1.660 5.942 4.486 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -0.032 6.211 6.269 1.00 0.00 H new ATOM 0 HB3 LYS A 29 1.087 5.501 7.416 1.00 0.00 H new ATOM 0 HG2 LYS A 29 2.477 7.358 7.436 1.00 0.00 H new ATOM 0 HG3 LYS A 29 2.183 7.737 5.750 1.00 0.00 H new ATOM 0 HD2 LYS A 29 1.002 9.475 6.742 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -0.282 8.289 6.620 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -0.200 7.753 8.921 1.00 0.00 H new ATOM 0 HE3 LYS A 29 1.455 8.299 9.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -0.091 9.854 10.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 0.707 10.582 8.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -0.897 10.053 8.609 1.00 0.00 H new ATOM 467 N LEU A 30 3.374 4.106 6.612 1.00 0.00 N ATOM 468 CA LEU A 30 4.722 3.699 6.972 1.00 0.00 C ATOM 469 C LEU A 30 5.432 3.150 5.733 1.00 0.00 C ATOM 470 O LEU A 30 6.493 3.641 5.352 1.00 0.00 O ATOM 471 CB LEU A 30 4.690 2.720 8.147 1.00 0.00 C ATOM 472 CG LEU A 30 4.040 3.237 9.433 1.00 0.00 C ATOM 473 CD1 LEU A 30 4.427 2.367 10.630 1.00 0.00 C ATOM 474 CD2 LEU A 30 4.376 4.711 9.663 1.00 0.00 C ATOM 0 H LEU A 30 2.637 3.689 7.180 1.00 0.00 H new ATOM 0 HA LEU A 30 5.300 4.556 7.317 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.160 1.821 7.831 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.714 2.423 8.375 1.00 0.00 H new ATOM 0 HG LEU A 30 2.958 3.168 9.321 1.00 0.00 H new ATOM 0 HD11 LEU A 30 3.952 2.756 11.531 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.095 1.343 10.458 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.510 2.381 10.755 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.902 5.053 10.583 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.456 4.829 9.746 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.010 5.303 8.824 1.00 0.00 H new ATOM 486 N LEU A 31 4.818 2.138 5.138 1.00 0.00 N ATOM 487 CA LEU A 31 5.378 1.516 3.950 1.00 0.00 C ATOM 488 C LEU A 31 5.774 2.604 2.949 1.00 0.00 C ATOM 489 O LEU A 31 6.955 2.780 2.654 1.00 0.00 O ATOM 490 CB LEU A 31 4.409 0.479 3.380 1.00 0.00 C ATOM 491 CG LEU A 31 5.042 -0.672 2.596 1.00 0.00 C ATOM 492 CD1 LEU A 31 4.954 -1.983 3.379 1.00 0.00 C ATOM 493 CD2 LEU A 31 4.422 -0.793 1.202 1.00 0.00 C ATOM 0 H LEU A 31 3.938 1.733 5.457 1.00 0.00 H new ATOM 0 HA LEU A 31 6.285 0.966 4.200 1.00 0.00 H new ATOM 0 HB2 LEU A 31 3.833 0.057 4.204 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.703 0.992 2.727 1.00 0.00 H new ATOM 0 HG LEU A 31 6.100 -0.450 2.459 1.00 0.00 H new ATOM 0 HD11 LEU A 31 5.411 -2.785 2.799 1.00 0.00 H new ATOM 0 HD12 LEU A 31 5.480 -1.876 4.328 1.00 0.00 H new ATOM 0 HD13 LEU A 31 3.908 -2.224 3.569 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.890 -1.619 0.666 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.352 -0.980 1.295 1.00 0.00 H new ATOM 0 HD23 LEU A 31 4.582 0.134 0.651 1.00 0.00 H new ATOM 505 N LEU A 32 4.764 3.304 2.455 1.00 0.00 N ATOM 506 CA LEU A 32 4.992 4.370 1.494 1.00 0.00 C ATOM 507 C LEU A 32 6.087 5.299 2.019 1.00 0.00 C ATOM 508 O LEU A 32 6.729 6.008 1.245 1.00 0.00 O ATOM 509 CB LEU A 32 3.680 5.087 1.169 1.00 0.00 C ATOM 510 CG LEU A 32 2.571 4.220 0.571 1.00 0.00 C ATOM 511 CD1 LEU A 32 1.321 5.052 0.277 1.00 0.00 C ATOM 512 CD2 LEU A 32 3.067 3.474 -0.669 1.00 0.00 C ATOM 0 H LEU A 32 3.786 3.154 2.702 1.00 0.00 H new ATOM 0 HA LEU A 32 5.348 3.961 0.548 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.303 5.544 2.084 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.895 5.898 0.473 1.00 0.00 H new ATOM 0 HG LEU A 32 2.291 3.468 1.309 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.549 4.411 -0.147 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.955 5.498 1.202 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.568 5.841 -0.433 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.259 2.865 -1.075 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.392 4.193 -1.421 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.904 2.831 -0.396 1.00 0.00 H new ATOM 524 N GLN A 33 6.268 5.266 3.332 1.00 0.00 N ATOM 525 CA GLN A 33 7.275 6.097 3.969 1.00 0.00 C ATOM 526 C GLN A 33 8.677 5.585 3.632 1.00 0.00 C ATOM 527 O GLN A 33 9.501 6.326 3.100 1.00 0.00 O ATOM 528 CB GLN A 33 7.061 6.153 5.483 1.00 0.00 C ATOM 529 CG GLN A 33 7.180 7.588 6.001 1.00 0.00 C ATOM 530 CD GLN A 33 6.870 7.658 7.498 1.00 0.00 C ATOM 531 OE1 GLN A 33 7.751 7.646 8.342 1.00 0.00 O ATOM 532 NE2 GLN A 33 5.572 7.733 7.778 1.00 0.00 N ATOM 0 H GLN A 33 5.734 4.677 3.971 1.00 0.00 H new ATOM 0 HA GLN A 33 7.178 7.112 3.583 1.00 0.00 H new ATOM 0 HB2 GLN A 33 6.077 5.754 5.730 1.00 0.00 H new ATOM 0 HB3 GLN A 33 7.796 5.521 5.981 1.00 0.00 H new ATOM 0 HG2 GLN A 33 8.187 7.963 5.817 1.00 0.00 H new ATOM 0 HG3 GLN A 33 6.494 8.234 5.453 1.00 0.00 H new ATOM 0 HE21 GLN A 33 4.887 7.739 7.022 1.00 0.00 H new ATOM 0 HE22 GLN A 33 5.262 7.785 8.748 1.00 0.00 H new ATOM 541 N THR A 34 8.904 4.320 3.957 1.00 0.00 N ATOM 542 CA THR A 34 10.192 3.700 3.696 1.00 0.00 C ATOM 543 C THR A 34 10.222 3.107 2.286 1.00 0.00 C ATOM 544 O THR A 34 11.140 3.378 1.514 1.00 0.00 O ATOM 545 CB THR A 34 10.452 2.668 4.795 1.00 0.00 C ATOM 546 OG1 THR A 34 11.355 3.324 5.680 1.00 0.00 O ATOM 547 CG2 THR A 34 11.239 1.458 4.287 1.00 0.00 C ATOM 0 H THR A 34 8.218 3.708 4.399 1.00 0.00 H new ATOM 0 HA THR A 34 10.997 4.434 3.723 1.00 0.00 H new ATOM 0 HB THR A 34 9.502 2.334 5.212 1.00 0.00 H new ATOM 0 HG1 THR A 34 11.576 2.726 6.424 1.00 0.00 H new ATOM 0 HG21 THR A 34 11.396 0.756 5.106 1.00 0.00 H new ATOM 0 HG22 THR A 34 10.678 0.967 3.492 1.00 0.00 H new ATOM 0 HG23 THR A 34 12.204 1.787 3.901 1.00 0.00 H new ATOM 555 N GLU A 35 9.206 2.309 1.993 1.00 0.00 N ATOM 556 CA GLU A 35 9.104 1.675 0.689 1.00 0.00 C ATOM 557 C GLU A 35 9.341 2.702 -0.420 1.00 0.00 C ATOM 558 O GLU A 35 10.322 2.611 -1.157 1.00 0.00 O ATOM 559 CB GLU A 35 7.749 0.986 0.519 1.00 0.00 C ATOM 560 CG GLU A 35 7.565 0.485 -0.915 1.00 0.00 C ATOM 561 CD GLU A 35 7.149 -0.987 -0.932 1.00 0.00 C ATOM 562 OE1 GLU A 35 7.834 -1.779 -0.250 1.00 0.00 O ATOM 563 OE2 GLU A 35 6.154 -1.288 -1.627 1.00 0.00 O ATOM 0 H GLU A 35 8.446 2.087 2.636 1.00 0.00 H new ATOM 0 HA GLU A 35 9.875 0.908 0.618 1.00 0.00 H new ATOM 0 HB2 GLU A 35 7.673 0.149 1.213 1.00 0.00 H new ATOM 0 HB3 GLU A 35 6.949 1.682 0.770 1.00 0.00 H new ATOM 0 HG2 GLU A 35 6.809 1.086 -1.420 1.00 0.00 H new ATOM 0 HG3 GLU A 35 8.495 0.610 -1.470 1.00 0.00 H new ATOM 570 N PHE A 36 8.425 3.656 -0.505 1.00 0.00 N ATOM 571 CA PHE A 36 8.522 4.699 -1.512 1.00 0.00 C ATOM 572 C PHE A 36 7.908 6.006 -1.008 1.00 0.00 C ATOM 573 O PHE A 36 6.706 6.226 -1.145 1.00 0.00 O ATOM 574 CB PHE A 36 7.734 4.217 -2.732 1.00 0.00 C ATOM 575 CG PHE A 36 8.564 3.403 -3.727 1.00 0.00 C ATOM 576 CD1 PHE A 36 9.462 4.028 -4.535 1.00 0.00 C ATOM 577 CD2 PHE A 36 8.404 2.055 -3.804 1.00 0.00 C ATOM 578 CE1 PHE A 36 10.232 3.273 -5.458 1.00 0.00 C ATOM 579 CE2 PHE A 36 9.174 1.300 -4.727 1.00 0.00 C ATOM 580 CZ PHE A 36 10.072 1.925 -5.535 1.00 0.00 C ATOM 0 H PHE A 36 7.612 3.728 0.107 1.00 0.00 H new ATOM 0 HA PHE A 36 9.568 4.889 -1.752 1.00 0.00 H new ATOM 0 HB2 PHE A 36 6.894 3.610 -2.393 1.00 0.00 H new ATOM 0 HB3 PHE A 36 7.315 5.082 -3.246 1.00 0.00 H new ATOM 0 HD1 PHE A 36 9.589 5.099 -4.474 1.00 0.00 H new ATOM 0 HD2 PHE A 36 7.691 1.559 -3.163 1.00 0.00 H new ATOM 0 HE1 PHE A 36 10.945 3.769 -6.099 1.00 0.00 H new ATOM 0 HE2 PHE A 36 9.047 0.229 -4.788 1.00 0.00 H new ATOM 0 HZ PHE A 36 10.658 1.351 -6.238 1.00 0.00 H new ATOM 590 N PRO A 37 8.785 6.863 -0.419 1.00 0.00 N ATOM 591 CA PRO A 37 8.342 8.143 0.107 1.00 0.00 C ATOM 592 C PRO A 37 8.077 9.138 -1.025 1.00 0.00 C ATOM 593 O PRO A 37 7.259 10.046 -0.879 1.00 0.00 O ATOM 594 CB PRO A 37 9.454 8.590 1.042 1.00 0.00 C ATOM 595 CG PRO A 37 10.678 7.778 0.652 1.00 0.00 C ATOM 596 CD PRO A 37 10.216 6.636 -0.239 1.00 0.00 C ATOM 0 HA PRO A 37 7.394 8.073 0.641 1.00 0.00 H new ATOM 0 HB2 PRO A 37 9.645 9.658 0.939 1.00 0.00 H new ATOM 0 HB3 PRO A 37 9.184 8.413 2.083 1.00 0.00 H new ATOM 0 HG2 PRO A 37 11.400 8.404 0.127 1.00 0.00 H new ATOM 0 HG3 PRO A 37 11.178 7.391 1.540 1.00 0.00 H new ATOM 0 HD2 PRO A 37 10.741 6.641 -1.194 1.00 0.00 H new ATOM 0 HD3 PRO A 37 10.408 5.669 0.225 1.00 0.00 H new ATOM 604 N SER A 38 8.782 8.934 -2.128 1.00 0.00 N ATOM 605 CA SER A 38 8.633 9.801 -3.283 1.00 0.00 C ATOM 606 C SER A 38 7.206 9.709 -3.826 1.00 0.00 C ATOM 607 O SER A 38 6.679 10.680 -4.367 1.00 0.00 O ATOM 608 CB SER A 38 9.641 9.441 -4.376 1.00 0.00 C ATOM 609 OG SER A 38 10.689 8.611 -3.883 1.00 0.00 O ATOM 0 H SER A 38 9.459 8.180 -2.246 1.00 0.00 H new ATOM 0 HA SER A 38 8.830 10.826 -2.968 1.00 0.00 H new ATOM 0 HB2 SER A 38 9.126 8.930 -5.190 1.00 0.00 H new ATOM 0 HB3 SER A 38 10.067 10.354 -4.792 1.00 0.00 H new ATOM 0 HG SER A 38 11.311 8.402 -4.611 1.00 0.00 H new ATOM 615 N LEU A 39 6.620 8.531 -3.664 1.00 0.00 N ATOM 616 CA LEU A 39 5.264 8.299 -4.131 1.00 0.00 C ATOM 617 C LEU A 39 4.293 9.149 -3.309 1.00 0.00 C ATOM 618 O LEU A 39 3.193 9.456 -3.765 1.00 0.00 O ATOM 619 CB LEU A 39 4.940 6.804 -4.113 1.00 0.00 C ATOM 620 CG LEU A 39 4.699 6.153 -5.476 1.00 0.00 C ATOM 621 CD1 LEU A 39 3.287 6.452 -5.985 1.00 0.00 C ATOM 622 CD2 LEU A 39 5.771 6.574 -6.482 1.00 0.00 C ATOM 0 H LEU A 39 7.060 7.727 -3.216 1.00 0.00 H new ATOM 0 HA LEU A 39 5.160 8.612 -5.170 1.00 0.00 H new ATOM 0 HB2 LEU A 39 5.761 6.281 -3.623 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.053 6.652 -3.498 1.00 0.00 H new ATOM 0 HG LEU A 39 4.776 5.072 -5.356 1.00 0.00 H new ATOM 0 HD11 LEU A 39 3.142 5.978 -6.956 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.555 6.062 -5.278 1.00 0.00 H new ATOM 0 HD13 LEU A 39 3.157 7.530 -6.085 1.00 0.00 H new ATOM 0 HD21 LEU A 39 5.576 6.097 -7.443 1.00 0.00 H new ATOM 0 HD22 LEU A 39 5.750 7.657 -6.604 1.00 0.00 H new ATOM 0 HD23 LEU A 39 6.752 6.268 -6.118 1.00 0.00 H new ATOM 634 N LEU A 40 4.736 9.505 -2.112 1.00 0.00 N ATOM 635 CA LEU A 40 3.920 10.314 -1.223 1.00 0.00 C ATOM 636 C LEU A 40 3.912 11.761 -1.720 1.00 0.00 C ATOM 637 O LEU A 40 2.859 12.394 -1.780 1.00 0.00 O ATOM 638 CB LEU A 40 4.394 10.163 0.224 1.00 0.00 C ATOM 639 CG LEU A 40 4.289 8.759 0.822 1.00 0.00 C ATOM 640 CD1 LEU A 40 5.069 8.661 2.134 1.00 0.00 C ATOM 641 CD2 LEU A 40 2.826 8.344 0.992 1.00 0.00 C ATOM 0 H LEU A 40 5.649 9.248 -1.737 1.00 0.00 H new ATOM 0 HA LEU A 40 2.887 9.968 -1.234 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.434 10.483 0.280 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.817 10.846 0.847 1.00 0.00 H new ATOM 0 HG LEU A 40 4.745 8.056 0.125 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.977 7.653 2.537 1.00 0.00 H new ATOM 0 HD12 LEU A 40 6.120 8.884 1.950 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.666 9.376 2.851 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.779 7.342 1.419 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.324 9.046 1.658 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.331 8.348 0.021 1.00 0.00 H new ATOM 653 N LYS A 41 5.098 12.242 -2.063 1.00 0.00 N ATOM 654 CA LYS A 41 5.241 13.602 -2.552 1.00 0.00 C ATOM 655 C LYS A 41 4.471 13.751 -3.866 1.00 0.00 C ATOM 656 O LYS A 41 4.024 14.845 -4.208 1.00 0.00 O ATOM 657 CB LYS A 41 6.719 13.981 -2.661 1.00 0.00 C ATOM 658 CG LYS A 41 7.287 13.589 -4.027 1.00 0.00 C ATOM 659 CD LYS A 41 7.459 14.819 -4.921 1.00 0.00 C ATOM 660 CE LYS A 41 8.026 14.427 -6.287 1.00 0.00 C ATOM 661 NZ LYS A 41 9.348 15.059 -6.500 1.00 0.00 N ATOM 0 H LYS A 41 5.969 11.714 -2.012 1.00 0.00 H new ATOM 0 HA LYS A 41 4.806 14.308 -1.844 1.00 0.00 H new ATOM 0 HB2 LYS A 41 6.835 15.054 -2.509 1.00 0.00 H new ATOM 0 HB3 LYS A 41 7.284 13.485 -1.872 1.00 0.00 H new ATOM 0 HG2 LYS A 41 8.248 13.092 -3.896 1.00 0.00 H new ATOM 0 HG3 LYS A 41 6.622 12.874 -4.510 1.00 0.00 H new ATOM 0 HD2 LYS A 41 6.498 15.316 -5.051 1.00 0.00 H new ATOM 0 HD3 LYS A 41 8.125 15.534 -4.438 1.00 0.00 H new ATOM 0 HE2 LYS A 41 8.120 13.343 -6.351 1.00 0.00 H new ATOM 0 HE3 LYS A 41 7.338 14.734 -7.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 9.719 14.783 -7.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 9.249 16.093 -6.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 10.006 14.745 -5.758 1.00 0.00 H new ATOM 675 N GLY A 42 4.338 12.634 -4.567 1.00 0.00 N ATOM 676 CA GLY A 42 3.630 12.626 -5.835 1.00 0.00 C ATOM 677 C GLY A 42 2.244 13.259 -5.693 1.00 0.00 C ATOM 678 O GLY A 42 1.819 13.589 -4.587 1.00 0.00 O ATOM 0 H GLY A 42 4.709 11.728 -4.280 1.00 0.00 H new ATOM 0 HA2 GLY A 42 4.208 13.171 -6.582 1.00 0.00 H new ATOM 0 HA3 GLY A 42 3.531 11.602 -6.194 1.00 0.00 H new ATOM 682 N MET A 43 1.578 13.409 -6.829 1.00 0.00 N ATOM 683 CA MET A 43 0.250 13.997 -6.845 1.00 0.00 C ATOM 684 C MET A 43 -0.726 13.171 -6.003 1.00 0.00 C ATOM 685 O MET A 43 -1.758 13.678 -5.567 1.00 0.00 O ATOM 686 CB MET A 43 -0.257 14.073 -8.286 1.00 0.00 C ATOM 687 CG MET A 43 0.257 15.335 -8.982 1.00 0.00 C ATOM 688 SD MET A 43 0.534 15.007 -10.715 1.00 0.00 S ATOM 689 CE MET A 43 2.106 15.822 -10.937 1.00 0.00 C ATOM 0 H MET A 43 1.934 13.133 -7.744 1.00 0.00 H new ATOM 0 HA MET A 43 0.311 14.998 -6.418 1.00 0.00 H new ATOM 0 HB2 MET A 43 0.069 13.191 -8.837 1.00 0.00 H new ATOM 0 HB3 MET A 43 -1.347 14.068 -8.293 1.00 0.00 H new ATOM 0 HG2 MET A 43 -0.465 16.143 -8.867 1.00 0.00 H new ATOM 0 HG3 MET A 43 1.184 15.667 -8.514 1.00 0.00 H new ATOM 0 HE1 MET A 43 2.429 15.714 -11.972 1.00 0.00 H new ATOM 0 HE2 MET A 43 2.004 16.880 -10.697 1.00 0.00 H new ATOM 0 HE3 MET A 43 2.846 15.370 -10.277 1.00 0.00 H new ATOM 699 N SER A 44 -0.364 11.913 -5.801 1.00 0.00 N ATOM 700 CA SER A 44 -1.194 11.012 -5.020 1.00 0.00 C ATOM 701 C SER A 44 -0.631 10.877 -3.603 1.00 0.00 C ATOM 702 O SER A 44 0.303 10.110 -3.373 1.00 0.00 O ATOM 703 CB SER A 44 -1.292 9.637 -5.684 1.00 0.00 C ATOM 704 OG SER A 44 -1.807 9.721 -7.010 1.00 0.00 O ATOM 0 H SER A 44 0.493 11.496 -6.165 1.00 0.00 H new ATOM 0 HA SER A 44 -2.198 11.433 -4.967 1.00 0.00 H new ATOM 0 HB2 SER A 44 -0.305 9.174 -5.707 1.00 0.00 H new ATOM 0 HB3 SER A 44 -1.934 8.990 -5.086 1.00 0.00 H new ATOM 0 HG SER A 44 -1.853 8.823 -7.401 1.00 0.00 H new ATOM 710 N THR A 45 -1.222 11.636 -2.691 1.00 0.00 N ATOM 711 CA THR A 45 -0.791 11.611 -1.304 1.00 0.00 C ATOM 712 C THR A 45 -1.339 10.369 -0.597 1.00 0.00 C ATOM 713 O THR A 45 -2.191 9.668 -1.140 1.00 0.00 O ATOM 714 CB THR A 45 -1.225 12.924 -0.650 1.00 0.00 C ATOM 715 OG1 THR A 45 -2.637 12.956 -0.841 1.00 0.00 O ATOM 716 CG2 THR A 45 -0.719 14.152 -1.410 1.00 0.00 C ATOM 0 H THR A 45 -1.995 12.272 -2.886 1.00 0.00 H new ATOM 0 HA THR A 45 0.294 11.537 -1.228 1.00 0.00 H new ATOM 0 HB THR A 45 -0.860 12.956 0.377 1.00 0.00 H new ATOM 0 HG1 THR A 45 -3.002 13.775 -0.445 1.00 0.00 H new ATOM 0 HG21 THR A 45 -1.055 15.057 -0.904 1.00 0.00 H new ATOM 0 HG22 THR A 45 0.370 14.137 -1.442 1.00 0.00 H new ATOM 0 HG23 THR A 45 -1.112 14.138 -2.427 1.00 0.00 H new ATOM 724 N LEU A 46 -0.827 10.136 0.602 1.00 0.00 N ATOM 725 CA LEU A 46 -1.255 8.992 1.389 1.00 0.00 C ATOM 726 C LEU A 46 -2.782 8.907 1.369 1.00 0.00 C ATOM 727 O LEU A 46 -3.348 7.955 0.834 1.00 0.00 O ATOM 728 CB LEU A 46 -0.661 9.057 2.797 1.00 0.00 C ATOM 729 CG LEU A 46 -0.610 7.735 3.566 1.00 0.00 C ATOM 730 CD1 LEU A 46 -1.917 7.492 4.324 1.00 0.00 C ATOM 731 CD2 LEU A 46 -0.262 6.573 2.635 1.00 0.00 C ATOM 0 H LEU A 46 -0.120 10.720 1.048 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.878 8.067 0.952 1.00 0.00 H new ATOM 0 HB2 LEU A 46 0.353 9.451 2.724 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -1.240 9.772 3.381 1.00 0.00 H new ATOM 0 HG LEU A 46 0.185 7.801 4.309 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -1.855 6.546 4.862 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -2.082 8.303 5.033 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -2.746 7.454 3.617 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -0.232 5.645 3.206 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -1.018 6.494 1.854 1.00 0.00 H new ATOM 0 HD23 LEU A 46 0.713 6.750 2.180 1.00 0.00 H new ATOM 743 N ASP A 47 -3.407 9.916 1.959 1.00 0.00 N ATOM 744 CA ASP A 47 -4.858 9.967 2.016 1.00 0.00 C ATOM 745 C ASP A 47 -5.429 9.670 0.628 1.00 0.00 C ATOM 746 O ASP A 47 -6.375 8.895 0.495 1.00 0.00 O ATOM 747 CB ASP A 47 -5.344 11.355 2.439 1.00 0.00 C ATOM 748 CG ASP A 47 -5.668 11.499 3.927 1.00 0.00 C ATOM 749 OD1 ASP A 47 -5.815 10.444 4.582 1.00 0.00 O ATOM 750 OD2 ASP A 47 -5.763 12.662 4.377 1.00 0.00 O ATOM 0 H ASP A 47 -2.935 10.704 2.402 1.00 0.00 H new ATOM 0 HA ASP A 47 -5.193 9.229 2.745 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -4.580 12.087 2.176 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -6.235 11.603 1.863 1.00 0.00 H new ATOM 755 N GLU A 48 -4.831 10.302 -0.371 1.00 0.00 N ATOM 756 CA GLU A 48 -5.268 10.115 -1.744 1.00 0.00 C ATOM 757 C GLU A 48 -5.234 8.631 -2.115 1.00 0.00 C ATOM 758 O GLU A 48 -6.161 8.123 -2.744 1.00 0.00 O ATOM 759 CB GLU A 48 -4.415 10.940 -2.709 1.00 0.00 C ATOM 760 CG GLU A 48 -5.224 12.093 -3.308 1.00 0.00 C ATOM 761 CD GLU A 48 -4.713 12.453 -4.705 1.00 0.00 C ATOM 762 OE1 GLU A 48 -5.015 11.677 -5.637 1.00 0.00 O ATOM 763 OE2 GLU A 48 -4.033 13.496 -4.808 1.00 0.00 O ATOM 0 H GLU A 48 -4.047 10.944 -0.257 1.00 0.00 H new ATOM 0 HA GLU A 48 -6.296 10.467 -1.828 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -3.545 11.335 -2.184 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -4.041 10.300 -3.508 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -6.276 11.814 -3.362 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -5.159 12.965 -2.657 1.00 0.00 H new ATOM 770 N LEU A 49 -4.155 7.977 -1.708 1.00 0.00 N ATOM 771 CA LEU A 49 -3.988 6.561 -1.990 1.00 0.00 C ATOM 772 C LEU A 49 -5.071 5.768 -1.255 1.00 0.00 C ATOM 773 O LEU A 49 -5.881 5.088 -1.882 1.00 0.00 O ATOM 774 CB LEU A 49 -2.564 6.113 -1.656 1.00 0.00 C ATOM 775 CG LEU A 49 -1.782 5.457 -2.796 1.00 0.00 C ATOM 776 CD1 LEU A 49 -0.999 6.501 -3.595 1.00 0.00 C ATOM 777 CD2 LEU A 49 -0.878 4.341 -2.270 1.00 0.00 C ATOM 0 H LEU A 49 -3.389 8.401 -1.186 1.00 0.00 H new ATOM 0 HA LEU A 49 -4.117 6.366 -3.055 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -2.003 6.981 -1.310 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -2.611 5.411 -0.823 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.496 4.997 -3.480 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -0.452 6.009 -4.399 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -1.691 7.229 -4.019 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -0.295 7.011 -2.937 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -0.334 3.892 -3.101 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.169 4.755 -1.553 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -1.486 3.580 -1.781 1.00 0.00 H new ATOM 789 N PHE A 50 -5.049 5.882 0.065 1.00 0.00 N ATOM 790 CA PHE A 50 -6.018 5.184 0.893 1.00 0.00 C ATOM 791 C PHE A 50 -7.408 5.214 0.252 1.00 0.00 C ATOM 792 O PHE A 50 -8.152 4.237 0.330 1.00 0.00 O ATOM 793 CB PHE A 50 -6.072 5.918 2.234 1.00 0.00 C ATOM 794 CG PHE A 50 -6.747 5.121 3.352 1.00 0.00 C ATOM 795 CD1 PHE A 50 -6.464 3.801 3.513 1.00 0.00 C ATOM 796 CD2 PHE A 50 -7.630 5.733 4.186 1.00 0.00 C ATOM 797 CE1 PHE A 50 -7.091 3.061 4.550 1.00 0.00 C ATOM 798 CE2 PHE A 50 -8.256 4.994 5.224 1.00 0.00 C ATOM 799 CZ PHE A 50 -7.973 3.673 5.384 1.00 0.00 C ATOM 0 H PHE A 50 -4.375 6.447 0.582 1.00 0.00 H new ATOM 0 HA PHE A 50 -5.724 4.141 1.012 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -5.056 6.167 2.541 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -6.605 6.860 2.100 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -5.762 3.315 2.852 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -7.855 6.782 4.059 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -6.867 2.012 4.676 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -8.957 5.480 5.886 1.00 0.00 H new ATOM 0 HZ PHE A 50 -8.449 3.111 6.174 1.00 0.00 H new ATOM 809 N GLU A 51 -7.716 6.345 -0.366 1.00 0.00 N ATOM 810 CA GLU A 51 -9.002 6.514 -1.019 1.00 0.00 C ATOM 811 C GLU A 51 -9.036 5.735 -2.335 1.00 0.00 C ATOM 812 O GLU A 51 -9.885 4.865 -2.523 1.00 0.00 O ATOM 813 CB GLU A 51 -9.309 7.995 -1.250 1.00 0.00 C ATOM 814 CG GLU A 51 -10.198 8.185 -2.481 1.00 0.00 C ATOM 815 CD GLU A 51 -11.536 7.463 -2.307 1.00 0.00 C ATOM 816 OE1 GLU A 51 -11.538 6.436 -1.595 1.00 0.00 O ATOM 817 OE2 GLU A 51 -12.526 7.956 -2.889 1.00 0.00 O ATOM 0 H GLU A 51 -7.097 7.153 -0.428 1.00 0.00 H new ATOM 0 HA GLU A 51 -9.776 6.114 -0.363 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -9.805 8.409 -0.372 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -8.378 8.547 -1.380 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -10.373 9.248 -2.647 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -9.687 7.804 -3.365 1.00 0.00 H new ATOM 824 N GLU A 52 -8.103 6.075 -3.212 1.00 0.00 N ATOM 825 CA GLU A 52 -8.016 5.418 -4.505 1.00 0.00 C ATOM 826 C GLU A 52 -7.917 3.902 -4.324 1.00 0.00 C ATOM 827 O GLU A 52 -8.636 3.148 -4.978 1.00 0.00 O ATOM 828 CB GLU A 52 -6.831 5.952 -5.312 1.00 0.00 C ATOM 829 CG GLU A 52 -6.884 5.455 -6.758 1.00 0.00 C ATOM 830 CD GLU A 52 -6.684 6.610 -7.742 1.00 0.00 C ATOM 831 OE1 GLU A 52 -5.916 7.530 -7.388 1.00 0.00 O ATOM 832 OE2 GLU A 52 -7.304 6.546 -8.826 1.00 0.00 O ATOM 0 H GLU A 52 -7.401 6.797 -3.052 1.00 0.00 H new ATOM 0 HA GLU A 52 -8.924 5.639 -5.065 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -6.838 7.042 -5.298 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -5.897 5.633 -4.848 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -6.113 4.701 -6.916 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -7.844 4.974 -6.946 1.00 0.00 H new ATOM 839 N LEU A 53 -7.022 3.501 -3.433 1.00 0.00 N ATOM 840 CA LEU A 53 -6.821 2.089 -3.159 1.00 0.00 C ATOM 841 C LEU A 53 -8.172 1.432 -2.868 1.00 0.00 C ATOM 842 O LEU A 53 -8.583 0.512 -3.572 1.00 0.00 O ATOM 843 CB LEU A 53 -5.793 1.901 -2.041 1.00 0.00 C ATOM 844 CG LEU A 53 -4.411 2.508 -2.293 1.00 0.00 C ATOM 845 CD1 LEU A 53 -3.739 2.906 -0.977 1.00 0.00 C ATOM 846 CD2 LEU A 53 -3.538 1.560 -3.118 1.00 0.00 C ATOM 0 H LEU A 53 -6.428 4.129 -2.892 1.00 0.00 H new ATOM 0 HA LEU A 53 -6.404 1.588 -4.032 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -6.197 2.334 -1.126 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -5.672 0.833 -1.861 1.00 0.00 H new ATOM 0 HG LEU A 53 -4.539 3.419 -2.878 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -2.758 3.335 -1.184 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -4.356 3.643 -0.462 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.624 2.025 -0.346 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -2.562 2.015 -3.283 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -3.414 0.620 -2.581 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -4.016 1.369 -4.079 1.00 0.00 H new ATOM 858 N ASP A 54 -8.825 1.932 -1.829 1.00 0.00 N ATOM 859 CA ASP A 54 -10.121 1.406 -1.436 1.00 0.00 C ATOM 860 C ASP A 54 -11.145 1.717 -2.528 1.00 0.00 C ATOM 861 O ASP A 54 -11.747 2.790 -2.533 1.00 0.00 O ATOM 862 CB ASP A 54 -10.606 2.050 -0.135 1.00 0.00 C ATOM 863 CG ASP A 54 -12.120 2.015 0.078 1.00 0.00 C ATOM 864 OD1 ASP A 54 -12.702 0.933 -0.157 1.00 0.00 O ATOM 865 OD2 ASP A 54 -12.663 3.070 0.471 1.00 0.00 O ATOM 0 H ASP A 54 -8.481 2.696 -1.247 1.00 0.00 H new ATOM 0 HA ASP A 54 -10.018 0.331 -1.289 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -10.125 1.547 0.703 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -10.275 3.088 -0.116 1.00 0.00 H new ATOM 947 N VAL A 61 -7.009 -1.819 2.159 1.00 0.00 N ATOM 948 CA VAL A 61 -6.296 -1.864 0.894 1.00 0.00 C ATOM 949 C VAL A 61 -5.722 -3.267 0.687 1.00 0.00 C ATOM 950 O VAL A 61 -4.533 -3.494 0.906 1.00 0.00 O ATOM 951 CB VAL A 61 -5.228 -0.770 0.856 1.00 0.00 C ATOM 952 CG1 VAL A 61 -4.355 -0.898 -0.394 1.00 0.00 C ATOM 953 CG2 VAL A 61 -5.863 0.619 0.942 1.00 0.00 C ATOM 0 HA VAL A 61 -6.976 -1.665 0.065 1.00 0.00 H new ATOM 0 HB VAL A 61 -4.585 -0.899 1.727 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -3.604 -0.108 -0.396 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -3.860 -1.869 -0.394 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.978 -0.808 -1.284 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -5.082 1.379 0.913 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -6.540 0.762 0.100 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -6.420 0.707 1.875 1.00 0.00 H new ATOM 963 N SER A 62 -6.594 -4.173 0.267 1.00 0.00 N ATOM 964 CA SER A 62 -6.188 -5.547 0.028 1.00 0.00 C ATOM 965 C SER A 62 -4.923 -5.578 -0.831 1.00 0.00 C ATOM 966 O SER A 62 -4.667 -4.652 -1.599 1.00 0.00 O ATOM 967 CB SER A 62 -7.308 -6.342 -0.647 1.00 0.00 C ATOM 968 OG SER A 62 -8.189 -5.501 -1.385 1.00 0.00 O ATOM 0 H SER A 62 -7.579 -3.982 0.086 1.00 0.00 H new ATOM 0 HA SER A 62 -5.976 -6.013 0.990 1.00 0.00 H new ATOM 0 HB2 SER A 62 -6.873 -7.086 -1.314 1.00 0.00 H new ATOM 0 HB3 SER A 62 -7.874 -6.885 0.110 1.00 0.00 H new ATOM 0 HG SER A 62 -8.889 -6.046 -1.802 1.00 0.00 H new ATOM 974 N PHE A 63 -4.164 -6.653 -0.673 1.00 0.00 N ATOM 975 CA PHE A 63 -2.932 -6.816 -1.425 1.00 0.00 C ATOM 976 C PHE A 63 -3.163 -6.570 -2.917 1.00 0.00 C ATOM 977 O PHE A 63 -2.309 -6.001 -3.596 1.00 0.00 O ATOM 978 CB PHE A 63 -2.473 -8.261 -1.223 1.00 0.00 C ATOM 979 CG PHE A 63 -1.189 -8.617 -1.975 1.00 0.00 C ATOM 980 CD1 PHE A 63 -0.129 -7.766 -1.951 1.00 0.00 C ATOM 981 CD2 PHE A 63 -1.108 -9.785 -2.667 1.00 0.00 C ATOM 982 CE1 PHE A 63 1.063 -8.096 -2.649 1.00 0.00 C ATOM 983 CE2 PHE A 63 0.084 -10.115 -3.365 1.00 0.00 C ATOM 984 CZ PHE A 63 1.144 -9.264 -3.342 1.00 0.00 C ATOM 0 H PHE A 63 -4.379 -7.419 -0.035 1.00 0.00 H new ATOM 0 HA PHE A 63 -2.187 -6.100 -1.078 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -2.319 -8.437 -0.158 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -3.269 -8.933 -1.545 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -0.193 -6.839 -1.401 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -1.950 -10.461 -2.686 1.00 0.00 H new ATOM 0 HE1 PHE A 63 1.905 -7.420 -2.630 1.00 0.00 H new ATOM 0 HE2 PHE A 63 0.148 -11.043 -3.914 1.00 0.00 H new ATOM 0 HZ PHE A 63 2.050 -9.515 -3.874 1.00 0.00 H new ATOM 994 N GLU A 64 -4.322 -7.010 -3.384 1.00 0.00 N ATOM 995 CA GLU A 64 -4.676 -6.845 -4.783 1.00 0.00 C ATOM 996 C GLU A 64 -4.795 -5.359 -5.129 1.00 0.00 C ATOM 997 O GLU A 64 -4.013 -4.838 -5.923 1.00 0.00 O ATOM 998 CB GLU A 64 -5.971 -7.589 -5.113 1.00 0.00 C ATOM 999 CG GLU A 64 -5.790 -9.100 -4.957 1.00 0.00 C ATOM 1000 CD GLU A 64 -6.620 -9.862 -5.992 1.00 0.00 C ATOM 1001 OE1 GLU A 64 -6.221 -9.827 -7.176 1.00 0.00 O ATOM 1002 OE2 GLU A 64 -7.635 -10.461 -5.576 1.00 0.00 O ATOM 0 H GLU A 64 -5.028 -7.481 -2.818 1.00 0.00 H new ATOM 0 HA GLU A 64 -3.882 -7.278 -5.391 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -6.770 -7.245 -4.456 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -6.277 -7.359 -6.134 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -4.737 -9.357 -5.070 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -6.087 -9.404 -3.953 1.00 0.00 H new ATOM 1009 N GLU A 65 -5.779 -4.718 -4.516 1.00 0.00 N ATOM 1010 CA GLU A 65 -6.009 -3.302 -4.748 1.00 0.00 C ATOM 1011 C GLU A 65 -4.696 -2.525 -4.636 1.00 0.00 C ATOM 1012 O GLU A 65 -4.531 -1.484 -5.270 1.00 0.00 O ATOM 1013 CB GLU A 65 -7.057 -2.751 -3.779 1.00 0.00 C ATOM 1014 CG GLU A 65 -8.473 -3.062 -4.268 1.00 0.00 C ATOM 1015 CD GLU A 65 -9.515 -2.659 -3.222 1.00 0.00 C ATOM 1016 OE1 GLU A 65 -9.163 -2.705 -2.024 1.00 0.00 O ATOM 1017 OE2 GLU A 65 -10.640 -2.316 -3.645 1.00 0.00 O ATOM 0 H GLU A 65 -6.426 -5.153 -3.859 1.00 0.00 H new ATOM 0 HA GLU A 65 -6.396 -3.178 -5.759 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -6.907 -3.184 -2.790 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -6.932 -1.673 -3.677 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -8.664 -2.531 -5.201 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -8.562 -4.127 -4.483 1.00 0.00 H new ATOM 1024 N PHE A 66 -3.796 -3.061 -3.825 1.00 0.00 N ATOM 1025 CA PHE A 66 -2.503 -2.430 -3.622 1.00 0.00 C ATOM 1026 C PHE A 66 -1.574 -2.688 -4.811 1.00 0.00 C ATOM 1027 O PHE A 66 -0.887 -1.780 -5.274 1.00 0.00 O ATOM 1028 CB PHE A 66 -1.892 -3.057 -2.367 1.00 0.00 C ATOM 1029 CG PHE A 66 -0.455 -2.611 -2.085 1.00 0.00 C ATOM 1030 CD1 PHE A 66 -0.182 -1.298 -1.865 1.00 0.00 C ATOM 1031 CD2 PHE A 66 0.548 -3.529 -2.055 1.00 0.00 C ATOM 1032 CE1 PHE A 66 1.151 -0.884 -1.603 1.00 0.00 C ATOM 1033 CE2 PHE A 66 1.881 -3.116 -1.794 1.00 0.00 C ATOM 1034 CZ PHE A 66 2.154 -1.802 -1.573 1.00 0.00 C ATOM 0 H PHE A 66 -3.936 -3.925 -3.301 1.00 0.00 H new ATOM 0 HA PHE A 66 -2.627 -1.352 -3.519 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -2.515 -2.806 -1.508 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -1.911 -4.142 -2.469 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -0.979 -0.569 -1.889 1.00 0.00 H new ATOM 0 HD2 PHE A 66 0.330 -4.572 -2.230 1.00 0.00 H new ATOM 0 HE1 PHE A 66 1.368 0.159 -1.428 1.00 0.00 H new ATOM 0 HE2 PHE A 66 2.678 -3.845 -1.771 1.00 0.00 H new ATOM 0 HZ PHE A 66 3.168 -1.487 -1.374 1.00 0.00 H new ATOM 1044 N GLN A 67 -1.585 -3.931 -5.270 1.00 0.00 N ATOM 1045 CA GLN A 67 -0.752 -4.320 -6.395 1.00 0.00 C ATOM 1046 C GLN A 67 -0.872 -3.294 -7.524 1.00 0.00 C ATOM 1047 O GLN A 67 0.052 -3.130 -8.319 1.00 0.00 O ATOM 1048 CB GLN A 67 -1.115 -5.722 -6.888 1.00 0.00 C ATOM 1049 CG GLN A 67 -0.857 -6.768 -5.802 1.00 0.00 C ATOM 1050 CD GLN A 67 0.048 -7.887 -6.323 1.00 0.00 C ATOM 1051 OE1 GLN A 67 -0.257 -9.093 -5.853 1.00 0.00 O flip ATOM 1052 NE2 GLN A 67 0.963 -7.669 -7.099 1.00 0.00 N flip ATOM 0 H GLN A 67 -2.157 -4.681 -4.883 1.00 0.00 H new ATOM 0 HA GLN A 67 0.285 -4.345 -6.062 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -2.165 -5.748 -7.181 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -0.530 -5.962 -7.776 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -0.393 -6.293 -4.937 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -1.804 -7.189 -5.465 1.00 0.00 H new ATOM 0 HE21 GLN A 67 1.143 -6.718 -7.421 1.00 0.00 H new ATOM 0 HE22 GLN A 67 1.548 -8.438 -7.426 1.00 0.00 H new ATOM 1061 N VAL A 68 -2.019 -2.630 -7.558 1.00 0.00 N ATOM 1062 CA VAL A 68 -2.272 -1.625 -8.576 1.00 0.00 C ATOM 1063 C VAL A 68 -1.235 -0.507 -8.451 1.00 0.00 C ATOM 1064 O VAL A 68 -0.785 0.042 -9.456 1.00 0.00 O ATOM 1065 CB VAL A 68 -3.712 -1.120 -8.466 1.00 0.00 C ATOM 1066 CG1 VAL A 68 -3.964 0.033 -9.439 1.00 0.00 C ATOM 1067 CG2 VAL A 68 -4.710 -2.257 -8.692 1.00 0.00 C ATOM 0 H VAL A 68 -2.783 -2.769 -6.897 1.00 0.00 H new ATOM 0 HA VAL A 68 -2.168 -2.055 -9.572 1.00 0.00 H new ATOM 0 HB VAL A 68 -3.859 -0.742 -7.454 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -4.995 0.373 -9.341 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -3.287 0.856 -9.211 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -3.790 -0.308 -10.460 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -5.726 -1.871 -8.608 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -4.562 -2.678 -9.686 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -4.554 -3.033 -7.942 1.00 0.00 H new ATOM 1077 N LEU A 69 -0.885 -0.203 -7.210 1.00 0.00 N ATOM 1078 CA LEU A 69 0.090 0.840 -6.941 1.00 0.00 C ATOM 1079 C LEU A 69 1.496 0.294 -7.196 1.00 0.00 C ATOM 1080 O LEU A 69 2.333 0.977 -7.785 1.00 0.00 O ATOM 1081 CB LEU A 69 -0.104 1.404 -5.532 1.00 0.00 C ATOM 1082 CG LEU A 69 0.812 2.567 -5.143 1.00 0.00 C ATOM 1083 CD1 LEU A 69 0.127 3.912 -5.395 1.00 0.00 C ATOM 1084 CD2 LEU A 69 1.289 2.428 -3.696 1.00 0.00 C ATOM 0 H LEU A 69 -1.259 -0.661 -6.379 1.00 0.00 H new ATOM 0 HA LEU A 69 -0.054 1.681 -7.619 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.138 1.733 -5.433 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.043 0.596 -4.815 1.00 0.00 H new ATOM 0 HG LEU A 69 1.697 2.533 -5.778 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.799 4.722 -5.110 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.121 4.001 -6.453 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.785 3.972 -4.802 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.938 3.267 -3.445 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.428 2.423 -3.028 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.841 1.495 -3.583 1.00 0.00 H new ATOM 1096 N VAL A 70 1.714 -0.931 -6.740 1.00 0.00 N ATOM 1097 CA VAL A 70 3.004 -1.575 -6.912 1.00 0.00 C ATOM 1098 C VAL A 70 3.392 -1.544 -8.392 1.00 0.00 C ATOM 1099 O VAL A 70 4.525 -1.209 -8.733 1.00 0.00 O ATOM 1100 CB VAL A 70 2.963 -2.991 -6.335 1.00 0.00 C ATOM 1101 CG1 VAL A 70 3.958 -3.905 -7.053 1.00 0.00 C ATOM 1102 CG2 VAL A 70 3.222 -2.976 -4.827 1.00 0.00 C ATOM 0 H VAL A 70 1.018 -1.494 -6.251 1.00 0.00 H new ATOM 0 HA VAL A 70 3.776 -1.036 -6.362 1.00 0.00 H new ATOM 0 HB VAL A 70 1.962 -3.391 -6.499 1.00 0.00 H new ATOM 0 HG11 VAL A 70 3.908 -4.906 -6.623 1.00 0.00 H new ATOM 0 HG12 VAL A 70 3.709 -3.953 -8.113 1.00 0.00 H new ATOM 0 HG13 VAL A 70 4.967 -3.509 -6.935 1.00 0.00 H new ATOM 0 HG21 VAL A 70 3.187 -3.995 -4.442 1.00 0.00 H new ATOM 0 HG22 VAL A 70 4.205 -2.547 -4.631 1.00 0.00 H new ATOM 0 HG23 VAL A 70 2.459 -2.375 -4.333 1.00 0.00 H new ATOM 1112 N LYS A 71 2.430 -1.899 -9.231 1.00 0.00 N ATOM 1113 CA LYS A 71 2.656 -1.916 -10.666 1.00 0.00 C ATOM 1114 C LYS A 71 3.179 -0.549 -11.111 1.00 0.00 C ATOM 1115 O LYS A 71 4.126 -0.467 -11.892 1.00 0.00 O ATOM 1116 CB LYS A 71 1.391 -2.360 -11.403 1.00 0.00 C ATOM 1117 CG LYS A 71 1.737 -3.253 -12.596 1.00 0.00 C ATOM 1118 CD LYS A 71 1.579 -2.493 -13.914 1.00 0.00 C ATOM 1119 CE LYS A 71 0.614 -3.218 -14.853 1.00 0.00 C ATOM 1120 NZ LYS A 71 1.362 -3.991 -15.870 1.00 0.00 N ATOM 0 H LYS A 71 1.492 -2.177 -8.944 1.00 0.00 H new ATOM 0 HA LYS A 71 3.420 -2.650 -10.923 1.00 0.00 H new ATOM 0 HB2 LYS A 71 0.737 -2.899 -10.718 1.00 0.00 H new ATOM 0 HB3 LYS A 71 0.840 -1.485 -11.747 1.00 0.00 H new ATOM 0 HG2 LYS A 71 2.761 -3.613 -12.500 1.00 0.00 H new ATOM 0 HG3 LYS A 71 1.090 -4.130 -12.598 1.00 0.00 H new ATOM 0 HD2 LYS A 71 1.211 -1.486 -13.715 1.00 0.00 H new ATOM 0 HD3 LYS A 71 2.551 -2.388 -14.396 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -0.028 -3.887 -14.279 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -0.037 -2.495 -15.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 0.691 -4.477 -16.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 1.956 -3.346 -16.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 1.965 -4.694 -15.397 1.00 0.00 H new ATOM 1134 N LYS A 72 2.540 0.491 -10.595 1.00 0.00 N ATOM 1135 CA LYS A 72 2.929 1.850 -10.930 1.00 0.00 C ATOM 1136 C LYS A 72 4.285 2.160 -10.293 1.00 0.00 C ATOM 1137 O LYS A 72 5.011 3.034 -10.764 1.00 0.00 O ATOM 1138 CB LYS A 72 1.826 2.835 -10.538 1.00 0.00 C ATOM 1139 CG LYS A 72 0.567 2.611 -11.378 1.00 0.00 C ATOM 1140 CD LYS A 72 0.711 3.245 -12.763 1.00 0.00 C ATOM 1141 CE LYS A 72 -0.585 3.940 -13.185 1.00 0.00 C ATOM 1142 NZ LYS A 72 -0.404 4.631 -14.481 1.00 0.00 N ATOM 0 H LYS A 72 1.755 0.419 -9.947 1.00 0.00 H new ATOM 0 HA LYS A 72 3.051 1.956 -12.008 1.00 0.00 H new ATOM 0 HB2 LYS A 72 1.588 2.718 -9.481 1.00 0.00 H new ATOM 0 HB3 LYS A 72 2.181 3.857 -10.673 1.00 0.00 H new ATOM 0 HG2 LYS A 72 0.380 1.542 -11.481 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -0.296 3.038 -10.867 1.00 0.00 H new ATOM 0 HD2 LYS A 72 1.528 3.966 -12.754 1.00 0.00 H new ATOM 0 HD3 LYS A 72 0.971 2.478 -13.493 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -1.388 3.207 -13.266 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -0.885 4.658 -12.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -1.293 5.097 -14.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 0.348 5.344 -14.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -0.140 3.938 -15.210 1.00 0.00 H new ATOM 1156 N ILE A 73 4.586 1.426 -9.232 1.00 0.00 N ATOM 1157 CA ILE A 73 5.841 1.611 -8.525 1.00 0.00 C ATOM 1158 C ILE A 73 6.969 0.941 -9.313 1.00 0.00 C ATOM 1159 O ILE A 73 8.019 1.542 -9.534 1.00 0.00 O ATOM 1160 CB ILE A 73 5.722 1.117 -7.082 1.00 0.00 C ATOM 1161 CG1 ILE A 73 4.906 2.094 -6.233 1.00 0.00 C ATOM 1162 CG2 ILE A 73 7.102 0.848 -6.478 1.00 0.00 C ATOM 1163 CD1 ILE A 73 4.293 1.389 -5.022 1.00 0.00 C ATOM 0 H ILE A 73 3.981 0.701 -8.845 1.00 0.00 H new ATOM 0 HA ILE A 73 6.086 2.671 -8.455 1.00 0.00 H new ATOM 0 HB ILE A 73 5.184 0.169 -7.090 1.00 0.00 H new ATOM 0 HG12 ILE A 73 5.545 2.911 -5.898 1.00 0.00 H new ATOM 0 HG13 ILE A 73 4.115 2.536 -6.840 1.00 0.00 H new ATOM 0 HG21 ILE A 73 6.988 0.498 -5.452 1.00 0.00 H new ATOM 0 HG22 ILE A 73 7.615 0.087 -7.066 1.00 0.00 H new ATOM 0 HG23 ILE A 73 7.688 1.767 -6.485 1.00 0.00 H new ATOM 0 HD11 ILE A 73 3.718 2.106 -4.436 1.00 0.00 H new ATOM 0 HD12 ILE A 73 3.636 0.588 -5.361 1.00 0.00 H new ATOM 0 HD13 ILE A 73 5.087 0.969 -4.405 1.00 0.00 H new ATOM 1175 N SER A 74 6.713 -0.296 -9.715 1.00 0.00 N ATOM 1176 CA SER A 74 7.693 -1.054 -10.473 1.00 0.00 C ATOM 1177 C SER A 74 7.738 -0.553 -11.919 1.00 0.00 C ATOM 1178 O SER A 74 8.799 -0.183 -12.418 1.00 0.00 O ATOM 1179 CB SER A 74 7.378 -2.551 -10.439 1.00 0.00 C ATOM 1180 OG SER A 74 7.652 -3.125 -9.165 1.00 0.00 O ATOM 0 H SER A 74 5.841 -0.791 -9.530 1.00 0.00 H new ATOM 0 HA SER A 74 8.670 -0.906 -10.013 1.00 0.00 H new ATOM 0 HB2 SER A 74 6.328 -2.706 -10.688 1.00 0.00 H new ATOM 0 HB3 SER A 74 7.966 -3.063 -11.201 1.00 0.00 H new ATOM 0 HG SER A 74 7.436 -4.081 -9.184 1.00 0.00 H new ATOM 1186 N GLN A 75 6.572 -0.559 -12.549 1.00 0.00 N ATOM 1187 CA GLN A 75 6.465 -0.110 -13.927 1.00 0.00 C ATOM 1188 C GLN A 75 6.637 1.408 -14.006 1.00 0.00 C ATOM 1189 O GLN A 75 5.738 2.159 -13.630 1.00 0.00 O ATOM 1190 CB GLN A 75 5.133 -0.543 -14.542 1.00 0.00 C ATOM 1191 CG GLN A 75 5.346 -1.180 -15.917 1.00 0.00 C ATOM 1192 CD GLN A 75 6.351 -2.330 -15.840 1.00 0.00 C ATOM 1193 OE1 GLN A 75 7.357 -2.358 -16.530 1.00 0.00 O ATOM 1194 NE2 GLN A 75 6.025 -3.275 -14.963 1.00 0.00 N ATOM 0 H GLN A 75 5.694 -0.867 -12.131 1.00 0.00 H new ATOM 0 HA GLN A 75 7.263 -0.577 -14.504 1.00 0.00 H new ATOM 0 HB2 GLN A 75 4.637 -1.254 -13.881 1.00 0.00 H new ATOM 0 HB3 GLN A 75 4.474 0.320 -14.635 1.00 0.00 H new ATOM 0 HG2 GLN A 75 4.395 -1.549 -16.302 1.00 0.00 H new ATOM 0 HG3 GLN A 75 5.703 -0.427 -16.619 1.00 0.00 H new ATOM 0 HE21 GLN A 75 5.168 -3.190 -14.417 1.00 0.00 H new ATOM 0 HE22 GLN A 75 6.632 -4.085 -14.836 1.00 0.00 H new