USER MOD reduce.3.24.130724 H: found=0, std=0, add=539, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 445 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 Set 1.1: A 49 CYS SG : rot 20:sc= -2.45 USER MOD Set 1.2: A 54 GLN : amide:sc= -0.591 K(o=-3,f=-5.8!) USER MOD Set 2.1: A 25 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.00781) USER MOD Single : A 9 GLN : amide:sc= -0.197 K(o=-0.2,f=-1.5!) USER MOD Single : A 10 MET CE :methyl -147:sc= -0.0563 (180deg=-0.938) USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 170:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -2.6! C(o=-2.6!,f=-4.3!) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=-0.057) USER MOD Single : A 30 LYS NZ :NH3+ -106:sc= -0.161 (180deg=-1.05) USER MOD Single : A 31 HIS : no HD1:sc= -0.375 X(o=-0.38,f=-0.071) USER MOD Single : A 34 LYS NZ :NH3+ -147:sc= -0.121 (180deg=-1.13) USER MOD Single : A 35 HIS : no HD1:sc= -0.462 X(o=-0.46,f=-0.05) USER MOD Single : A 39 THR OG1 : rot 83:sc= 0.123 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS : no HD1:sc= -5.19! C(o=-5.2!,f=-6.4!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 47 N ALA A 5 -4.563 -11.551 1.627 1.00 0.00 N ATOM 48 CA ALA A 5 -3.427 -11.970 0.824 1.00 0.00 C ATOM 49 C ALA A 5 -3.502 -11.298 -0.548 1.00 0.00 C ATOM 50 O ALA A 5 -2.478 -11.089 -1.197 1.00 0.00 O ATOM 51 CB ALA A 5 -3.407 -13.497 0.725 1.00 0.00 C ATOM 0 HA ALA A 5 -2.492 -11.661 1.292 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -2.555 -13.811 0.123 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -3.323 -13.925 1.724 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -4.329 -13.843 0.258 1.00 0.00 H new ATOM 57 N GLU A 6 -4.723 -10.976 -0.948 1.00 0.00 N ATOM 58 CA GLU A 6 -4.945 -10.330 -2.231 1.00 0.00 C ATOM 59 C GLU A 6 -4.445 -8.885 -2.191 1.00 0.00 C ATOM 60 O GLU A 6 -3.803 -8.420 -3.132 1.00 0.00 O ATOM 61 CB GLU A 6 -6.421 -10.390 -2.626 1.00 0.00 C ATOM 62 CG GLU A 6 -6.748 -9.334 -3.685 1.00 0.00 C ATOM 63 CD GLU A 6 -7.759 -9.872 -4.701 1.00 0.00 C ATOM 64 OE1 GLU A 6 -8.438 -10.862 -4.356 1.00 0.00 O ATOM 65 OE2 GLU A 6 -7.828 -9.280 -5.800 1.00 0.00 O ATOM 0 H GLU A 6 -5.570 -11.150 -0.406 1.00 0.00 H new ATOM 0 HA GLU A 6 -4.378 -10.868 -2.991 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -6.658 -11.382 -3.011 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -7.044 -10.232 -1.745 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -7.150 -8.443 -3.203 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -5.835 -9.034 -4.199 1.00 0.00 H new ATOM 70 N LEU A 7 -4.759 -8.213 -1.093 1.00 0.00 N ATOM 71 CA LEU A 7 -4.350 -6.831 -0.919 1.00 0.00 C ATOM 72 C LEU A 7 -2.823 -6.744 -0.966 1.00 0.00 C ATOM 73 O LEU A 7 -2.269 -5.810 -1.544 1.00 0.00 O ATOM 74 CB LEU A 7 -4.959 -6.248 0.359 1.00 0.00 C ATOM 75 CG LEU A 7 -6.475 -6.398 0.509 1.00 0.00 C ATOM 76 CD1 LEU A 7 -6.877 -6.455 1.983 1.00 0.00 C ATOM 77 CD2 LEU A 7 -7.211 -5.289 -0.244 1.00 0.00 C ATOM 0 H LEU A 7 -5.292 -8.601 -0.315 1.00 0.00 H new ATOM 0 HA LEU A 7 -4.730 -6.217 -1.736 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -4.480 -6.723 1.215 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -4.713 -5.187 0.404 1.00 0.00 H new ATOM 0 HG LEU A 7 -6.772 -7.345 0.059 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -7.959 -6.562 2.061 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -6.393 -7.308 2.459 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -6.566 -5.536 2.481 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -8.286 -5.418 -0.122 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -6.914 -4.319 0.155 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -6.958 -5.338 -1.303 1.00 0.00 H new ATOM 88 N LYS A 8 -2.187 -7.731 -0.352 1.00 0.00 N ATOM 89 CA LYS A 8 -0.736 -7.779 -0.318 1.00 0.00 C ATOM 90 C LYS A 8 -0.196 -7.775 -1.750 1.00 0.00 C ATOM 91 O LYS A 8 0.671 -6.971 -2.089 1.00 0.00 O ATOM 92 CB LYS A 8 -0.258 -8.969 0.517 1.00 0.00 C ATOM 93 CG LYS A 8 0.866 -8.556 1.468 1.00 0.00 C ATOM 94 CD LYS A 8 0.613 -9.088 2.880 1.00 0.00 C ATOM 95 CE LYS A 8 -0.666 -8.490 3.470 1.00 0.00 C ATOM 96 NZ LYS A 8 -1.630 -9.561 3.807 1.00 0.00 N ATOM 0 H LYS A 8 -2.651 -8.504 0.126 1.00 0.00 H new ATOM 0 HA LYS A 8 -0.337 -6.893 0.176 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -1.092 -9.375 1.089 1.00 0.00 H new ATOM 0 HB3 LYS A 8 0.092 -9.763 -0.142 1.00 0.00 H new ATOM 0 HG2 LYS A 8 1.818 -8.936 1.098 1.00 0.00 H new ATOM 0 HG3 LYS A 8 0.944 -7.469 1.494 1.00 0.00 H new ATOM 0 HD2 LYS A 8 0.532 -10.175 2.854 1.00 0.00 H new ATOM 0 HD3 LYS A 8 1.461 -8.847 3.521 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -0.427 -7.913 4.364 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -1.115 -7.800 2.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -2.535 -9.136 4.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -1.781 -10.167 2.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -1.253 -10.134 4.589 1.00 0.00 H new ATOM 106 N GLN A 9 -0.730 -8.684 -2.552 1.00 0.00 N ATOM 107 CA GLN A 9 -0.312 -8.795 -3.940 1.00 0.00 C ATOM 108 C GLN A 9 -0.677 -7.524 -4.707 1.00 0.00 C ATOM 109 O GLN A 9 0.072 -7.084 -5.579 1.00 0.00 O ATOM 110 CB GLN A 9 -0.929 -10.031 -4.600 1.00 0.00 C ATOM 111 CG GLN A 9 0.141 -10.870 -5.299 1.00 0.00 C ATOM 112 CD GLN A 9 -0.188 -11.054 -6.782 1.00 0.00 C ATOM 113 OE1 GLN A 9 -0.856 -10.243 -7.401 1.00 0.00 O ATOM 114 NE2 GLN A 9 0.318 -12.163 -7.314 1.00 0.00 N ATOM 0 H GLN A 9 -1.448 -9.350 -2.268 1.00 0.00 H new ATOM 0 HA GLN A 9 0.771 -8.912 -3.966 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -1.436 -10.635 -3.847 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -1.684 -9.723 -5.323 1.00 0.00 H new ATOM 0 HG2 GLN A 9 1.112 -10.386 -5.196 1.00 0.00 H new ATOM 0 HG3 GLN A 9 0.217 -11.844 -4.816 1.00 0.00 H new ATOM 0 HE21 GLN A 9 0.869 -12.800 -6.738 1.00 0.00 H new ATOM 0 HE22 GLN A 9 0.155 -12.377 -8.298 1.00 0.00 H new ATOM 121 N MET A 10 -1.828 -6.969 -4.358 1.00 0.00 N ATOM 122 CA MET A 10 -2.301 -5.756 -5.003 1.00 0.00 C ATOM 123 C MET A 10 -1.437 -4.555 -4.614 1.00 0.00 C ATOM 124 O MET A 10 -1.046 -3.763 -5.471 1.00 0.00 O ATOM 125 CB MET A 10 -3.753 -5.493 -4.596 1.00 0.00 C ATOM 126 CG MET A 10 -4.699 -6.493 -5.266 1.00 0.00 C ATOM 127 SD MET A 10 -6.111 -5.637 -5.945 1.00 0.00 S ATOM 128 CE MET A 10 -6.685 -4.782 -4.486 1.00 0.00 C ATOM 0 H MET A 10 -2.448 -7.337 -3.636 1.00 0.00 H new ATOM 0 HA MET A 10 -2.236 -5.893 -6.082 1.00 0.00 H new ATOM 0 HB2 MET A 10 -3.850 -5.565 -3.513 1.00 0.00 H new ATOM 0 HB3 MET A 10 -4.035 -4.477 -4.875 1.00 0.00 H new ATOM 0 HG2 MET A 10 -4.174 -7.029 -6.056 1.00 0.00 H new ATOM 0 HG3 MET A 10 -5.029 -7.237 -4.540 1.00 0.00 H new ATOM 0 HE1 MET A 10 -7.771 -4.697 -4.518 1.00 0.00 H new ATOM 0 HE2 MET A 10 -6.390 -5.340 -3.597 1.00 0.00 H new ATOM 0 HE3 MET A 10 -6.244 -3.786 -4.451 1.00 0.00 H new ATOM 136 N VAL A 11 -1.166 -4.456 -3.321 1.00 0.00 N ATOM 137 CA VAL A 11 -0.354 -3.365 -2.808 1.00 0.00 C ATOM 138 C VAL A 11 0.994 -3.354 -3.530 1.00 0.00 C ATOM 139 O VAL A 11 1.553 -2.290 -3.792 1.00 0.00 O ATOM 140 CB VAL A 11 -0.217 -3.484 -1.289 1.00 0.00 C ATOM 141 CG1 VAL A 11 0.960 -2.651 -0.777 1.00 0.00 C ATOM 142 CG2 VAL A 11 -1.518 -3.084 -0.588 1.00 0.00 C ATOM 0 H VAL A 11 -1.494 -5.113 -2.613 1.00 0.00 H new ATOM 0 HA VAL A 11 -0.835 -2.407 -3.004 1.00 0.00 H new ATOM 0 HB VAL A 11 -0.016 -4.529 -1.052 1.00 0.00 H new ATOM 0 HG11 VAL A 11 1.035 -2.754 0.306 1.00 0.00 H new ATOM 0 HG12 VAL A 11 1.883 -3.002 -1.239 1.00 0.00 H new ATOM 0 HG13 VAL A 11 0.802 -1.603 -1.032 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -1.394 -3.178 0.491 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.763 -2.051 -0.837 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -2.325 -3.738 -0.918 1.00 0.00 H new ATOM 152 N MET A 12 1.478 -4.549 -3.833 1.00 0.00 N ATOM 153 CA MET A 12 2.750 -4.691 -4.520 1.00 0.00 C ATOM 154 C MET A 12 2.706 -4.027 -5.898 1.00 0.00 C ATOM 155 O MET A 12 3.738 -3.867 -6.548 1.00 0.00 O ATOM 156 CB MET A 12 3.083 -6.176 -4.679 1.00 0.00 C ATOM 157 CG MET A 12 3.649 -6.753 -3.380 1.00 0.00 C ATOM 158 SD MET A 12 5.367 -7.184 -3.601 1.00 0.00 S ATOM 159 CE MET A 12 5.401 -8.759 -2.763 1.00 0.00 C ATOM 0 H MET A 12 1.011 -5.429 -3.615 1.00 0.00 H new ATOM 0 HA MET A 12 3.519 -4.199 -3.925 1.00 0.00 H new ATOM 0 HB2 MET A 12 2.186 -6.725 -4.964 1.00 0.00 H new ATOM 0 HB3 MET A 12 3.806 -6.306 -5.484 1.00 0.00 H new ATOM 0 HG2 MET A 12 3.549 -6.025 -2.575 1.00 0.00 H new ATOM 0 HG3 MET A 12 3.079 -7.634 -3.085 1.00 0.00 H new ATOM 0 HE1 MET A 12 6.409 -9.172 -2.806 1.00 0.00 H new ATOM 0 HE2 MET A 12 5.109 -8.623 -1.722 1.00 0.00 H new ATOM 0 HE3 MET A 12 4.706 -9.445 -3.249 1.00 0.00 H new ATOM 167 N SER A 13 1.499 -3.659 -6.304 1.00 0.00 N ATOM 168 CA SER A 13 1.306 -3.016 -7.592 1.00 0.00 C ATOM 169 C SER A 13 1.308 -1.495 -7.424 1.00 0.00 C ATOM 170 O SER A 13 1.395 -0.759 -8.405 1.00 0.00 O ATOM 171 CB SER A 13 0.003 -3.477 -8.248 1.00 0.00 C ATOM 172 OG SER A 13 0.065 -3.401 -9.669 1.00 0.00 O ATOM 0 H SER A 13 0.645 -3.794 -5.763 1.00 0.00 H new ATOM 0 HA SER A 13 2.131 -3.303 -8.244 1.00 0.00 H new ATOM 0 HB2 SER A 13 -0.210 -4.503 -7.949 1.00 0.00 H new ATOM 0 HB3 SER A 13 -0.822 -2.862 -7.888 1.00 0.00 H new ATOM 0 HG SER A 13 -0.716 -3.850 -10.055 1.00 0.00 H new ATOM 177 N LEU A 14 1.209 -1.071 -6.172 1.00 0.00 N ATOM 178 CA LEU A 14 1.197 0.350 -5.863 1.00 0.00 C ATOM 179 C LEU A 14 2.545 0.962 -6.248 1.00 0.00 C ATOM 180 O LEU A 14 3.561 0.268 -6.276 1.00 0.00 O ATOM 181 CB LEU A 14 0.813 0.576 -4.400 1.00 0.00 C ATOM 182 CG LEU A 14 -0.625 0.218 -4.020 1.00 0.00 C ATOM 183 CD1 LEU A 14 -1.495 1.472 -3.922 1.00 0.00 C ATOM 184 CD2 LEU A 14 -1.209 -0.810 -4.992 1.00 0.00 C ATOM 0 H LEU A 14 1.136 -1.685 -5.361 1.00 0.00 H new ATOM 0 HA LEU A 14 0.435 0.862 -6.451 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.489 -0.006 -3.774 1.00 0.00 H new ATOM 0 HB3 LEU A 14 0.981 1.626 -4.159 1.00 0.00 H new ATOM 0 HG LEU A 14 -0.612 -0.243 -3.032 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.512 1.189 -3.651 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.088 2.138 -3.161 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.505 1.984 -4.884 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -2.232 -1.047 -4.699 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -1.206 -0.399 -6.001 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.605 -1.717 -4.968 1.00 0.00 H new ATOM 195 N ARG A 15 2.511 2.255 -6.533 1.00 0.00 N ATOM 196 CA ARG A 15 3.719 2.969 -6.915 1.00 0.00 C ATOM 197 C ARG A 15 4.355 3.629 -5.690 1.00 0.00 C ATOM 198 O ARG A 15 3.745 3.682 -4.623 1.00 0.00 O ATOM 199 CB ARG A 15 3.417 4.041 -7.964 1.00 0.00 C ATOM 200 CG ARG A 15 3.919 3.613 -9.345 1.00 0.00 C ATOM 201 CD ARG A 15 4.169 4.830 -10.239 1.00 0.00 C ATOM 202 NE ARG A 15 5.558 4.808 -10.746 1.00 0.00 N ATOM 203 CZ ARG A 15 6.623 5.213 -10.041 1.00 0.00 C ATOM 204 NH1 ARG A 15 6.463 5.675 -8.792 1.00 0.00 N ATOM 205 NH2 ARG A 15 7.846 5.158 -10.583 1.00 0.00 N ATOM 0 H ARG A 15 1.667 2.827 -6.507 1.00 0.00 H new ATOM 0 HA ARG A 15 4.412 2.244 -7.342 1.00 0.00 H new ATOM 0 HB2 ARG A 15 2.343 4.224 -8.004 1.00 0.00 H new ATOM 0 HB3 ARG A 15 3.890 4.980 -7.676 1.00 0.00 H new ATOM 0 HG2 ARG A 15 4.840 3.039 -9.239 1.00 0.00 H new ATOM 0 HG3 ARG A 15 3.187 2.956 -9.815 1.00 0.00 H new ATOM 0 HD2 ARG A 15 3.468 4.828 -11.074 1.00 0.00 H new ATOM 0 HD3 ARG A 15 3.993 5.747 -9.677 1.00 0.00 H new ATOM 0 HE ARG A 15 5.715 4.462 -11.693 1.00 0.00 H new ATOM 0 HH11 ARG A 15 5.531 5.718 -8.380 1.00 0.00 H new ATOM 0 HH12 ARG A 15 7.273 5.983 -8.255 1.00 0.00 H new ATOM 0 HH21 ARG A 15 7.967 4.808 -11.533 1.00 0.00 H new ATOM 0 HH22 ARG A 15 8.656 5.467 -10.046 1.00 0.00 H new ATOM 216 N VAL A 16 5.572 4.114 -5.884 1.00 0.00 N ATOM 217 CA VAL A 16 6.296 4.769 -4.808 1.00 0.00 C ATOM 218 C VAL A 16 5.432 5.886 -4.222 1.00 0.00 C ATOM 219 O VAL A 16 5.299 5.999 -3.005 1.00 0.00 O ATOM 220 CB VAL A 16 7.652 5.265 -5.317 1.00 0.00 C ATOM 221 CG1 VAL A 16 8.409 6.014 -4.218 1.00 0.00 C ATOM 222 CG2 VAL A 16 8.488 4.109 -5.868 1.00 0.00 C ATOM 0 H VAL A 16 6.075 4.067 -6.770 1.00 0.00 H new ATOM 0 HA VAL A 16 6.503 4.064 -4.003 1.00 0.00 H new ATOM 0 HB VAL A 16 7.468 5.963 -6.133 1.00 0.00 H new ATOM 0 HG11 VAL A 16 9.369 6.356 -4.605 1.00 0.00 H new ATOM 0 HG12 VAL A 16 7.822 6.873 -3.893 1.00 0.00 H new ATOM 0 HG13 VAL A 16 8.576 5.347 -3.372 1.00 0.00 H new ATOM 0 HG21 VAL A 16 9.446 4.489 -6.223 1.00 0.00 H new ATOM 0 HG22 VAL A 16 8.658 3.375 -5.080 1.00 0.00 H new ATOM 0 HG23 VAL A 16 7.957 3.637 -6.694 1.00 0.00 H new ATOM 232 N SER A 17 4.866 6.684 -5.116 1.00 0.00 N ATOM 233 CA SER A 17 4.018 7.788 -4.703 1.00 0.00 C ATOM 234 C SER A 17 2.854 7.266 -3.859 1.00 0.00 C ATOM 235 O SER A 17 2.507 7.859 -2.839 1.00 0.00 O ATOM 236 CB SER A 17 3.492 8.562 -5.913 1.00 0.00 C ATOM 237 OG SER A 17 3.958 9.908 -5.930 1.00 0.00 O ATOM 0 H SER A 17 4.979 6.587 -6.125 1.00 0.00 H new ATOM 0 HA SER A 17 4.616 8.472 -4.101 1.00 0.00 H new ATOM 0 HB2 SER A 17 3.804 8.059 -6.828 1.00 0.00 H new ATOM 0 HB3 SER A 17 2.402 8.556 -5.901 1.00 0.00 H new ATOM 0 HG SER A 17 3.601 10.368 -6.719 1.00 0.00 H new ATOM 242 N GLU A 18 2.281 6.163 -4.317 1.00 0.00 N ATOM 243 CA GLU A 18 1.162 5.554 -3.617 1.00 0.00 C ATOM 244 C GLU A 18 1.621 4.988 -2.272 1.00 0.00 C ATOM 245 O GLU A 18 0.905 5.087 -1.276 1.00 0.00 O ATOM 246 CB GLU A 18 0.506 4.469 -4.472 1.00 0.00 C ATOM 247 CG GLU A 18 0.289 4.957 -5.906 1.00 0.00 C ATOM 248 CD GLU A 18 -0.329 6.356 -5.921 1.00 0.00 C ATOM 249 OE1 GLU A 18 0.358 7.284 -5.441 1.00 0.00 O ATOM 250 OE2 GLU A 18 -1.472 6.467 -6.413 1.00 0.00 O ATOM 0 H GLU A 18 2.570 5.675 -5.164 1.00 0.00 H new ATOM 0 HA GLU A 18 0.414 6.325 -3.429 1.00 0.00 H new ATOM 0 HB2 GLU A 18 1.133 3.577 -4.478 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -0.450 4.183 -4.033 1.00 0.00 H new ATOM 0 HG2 GLU A 18 1.241 4.970 -6.437 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -0.362 4.262 -6.436 1.00 0.00 H new ATOM 255 N LEU A 19 2.813 4.410 -2.285 1.00 0.00 N ATOM 256 CA LEU A 19 3.377 3.829 -1.078 1.00 0.00 C ATOM 257 C LEU A 19 3.438 4.897 0.016 1.00 0.00 C ATOM 258 O LEU A 19 3.059 4.643 1.159 1.00 0.00 O ATOM 259 CB LEU A 19 4.728 3.178 -1.377 1.00 0.00 C ATOM 260 CG LEU A 19 4.688 1.697 -1.759 1.00 0.00 C ATOM 261 CD1 LEU A 19 3.799 0.906 -0.798 1.00 0.00 C ATOM 262 CD2 LEU A 19 4.259 1.517 -3.216 1.00 0.00 C ATOM 0 H LEU A 19 3.404 4.331 -3.112 1.00 0.00 H new ATOM 0 HA LEU A 19 2.738 3.027 -0.707 1.00 0.00 H new ATOM 0 HB2 LEU A 19 5.203 3.729 -2.188 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.365 3.290 -0.500 1.00 0.00 H new ATOM 0 HG LEU A 19 5.697 1.295 -1.669 1.00 0.00 H new ATOM 0 HD11 LEU A 19 3.788 -0.143 -1.093 1.00 0.00 H new ATOM 0 HD12 LEU A 19 4.190 0.994 0.216 1.00 0.00 H new ATOM 0 HD13 LEU A 19 2.784 1.302 -0.831 1.00 0.00 H new ATOM 0 HD21 LEU A 19 4.239 0.455 -3.461 1.00 0.00 H new ATOM 0 HD22 LEU A 19 3.265 1.941 -3.358 1.00 0.00 H new ATOM 0 HD23 LEU A 19 4.967 2.027 -3.869 1.00 0.00 H new ATOM 273 N GLN A 20 3.919 6.070 -0.372 1.00 0.00 N ATOM 274 CA GLN A 20 4.035 7.177 0.562 1.00 0.00 C ATOM 275 C GLN A 20 2.654 7.573 1.089 1.00 0.00 C ATOM 276 O GLN A 20 2.525 8.018 2.228 1.00 0.00 O ATOM 277 CB GLN A 20 4.737 8.371 -0.087 1.00 0.00 C ATOM 278 CG GLN A 20 6.099 7.964 -0.654 1.00 0.00 C ATOM 279 CD GLN A 20 7.083 9.135 -0.608 1.00 0.00 C ATOM 280 OE1 GLN A 20 6.707 10.292 -0.518 1.00 0.00 O ATOM 281 NE2 GLN A 20 8.361 8.770 -0.674 1.00 0.00 N ATOM 0 H GLN A 20 4.233 6.277 -1.320 1.00 0.00 H new ATOM 0 HA GLN A 20 4.645 6.853 1.405 1.00 0.00 H new ATOM 0 HB2 GLN A 20 4.113 8.775 -0.884 1.00 0.00 H new ATOM 0 HB3 GLN A 20 4.868 9.165 0.649 1.00 0.00 H new ATOM 0 HG2 GLN A 20 6.499 7.126 -0.084 1.00 0.00 H new ATOM 0 HG3 GLN A 20 5.982 7.623 -1.683 1.00 0.00 H new ATOM 0 HE21 GLN A 20 8.606 7.783 -0.748 1.00 0.00 H new ATOM 0 HE22 GLN A 20 9.095 9.478 -0.650 1.00 0.00 H new ATOM 288 N VAL A 21 1.657 7.398 0.235 1.00 0.00 N ATOM 289 CA VAL A 21 0.291 7.732 0.599 1.00 0.00 C ATOM 290 C VAL A 21 -0.180 6.791 1.710 1.00 0.00 C ATOM 291 O VAL A 21 -0.762 7.235 2.699 1.00 0.00 O ATOM 292 CB VAL A 21 -0.607 7.691 -0.639 1.00 0.00 C ATOM 293 CG1 VAL A 21 -1.620 6.548 -0.544 1.00 0.00 C ATOM 294 CG2 VAL A 21 -1.312 9.032 -0.849 1.00 0.00 C ATOM 0 H VAL A 21 1.768 7.029 -0.709 1.00 0.00 H new ATOM 0 HA VAL A 21 0.238 8.749 0.988 1.00 0.00 H new ATOM 0 HB VAL A 21 0.026 7.506 -1.506 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -2.246 6.541 -1.436 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -1.091 5.598 -0.465 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -2.246 6.689 0.337 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -1.944 8.976 -1.735 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -1.927 9.260 0.021 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -0.568 9.817 -0.983 1.00 0.00 H new ATOM 304 N LEU A 22 0.089 5.510 1.510 1.00 0.00 N ATOM 305 CA LEU A 22 -0.299 4.502 2.483 1.00 0.00 C ATOM 306 C LEU A 22 0.322 4.842 3.840 1.00 0.00 C ATOM 307 O LEU A 22 -0.361 4.819 4.862 1.00 0.00 O ATOM 308 CB LEU A 22 0.057 3.103 1.976 1.00 0.00 C ATOM 309 CG LEU A 22 -1.123 2.172 1.692 1.00 0.00 C ATOM 310 CD1 LEU A 22 -2.026 2.750 0.600 1.00 0.00 C ATOM 311 CD2 LEU A 22 -0.638 0.762 1.347 1.00 0.00 C ATOM 0 H LEU A 22 0.571 5.146 0.688 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.380 4.501 2.619 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.640 3.207 1.061 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.702 2.625 2.713 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.723 2.094 2.599 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.857 2.069 0.417 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.413 3.717 0.922 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.452 2.876 -0.318 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.497 0.120 1.150 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.003 0.802 0.462 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.068 0.358 2.184 1.00 0.00 H new ATOM 322 N LEU A 23 1.610 5.150 3.803 1.00 0.00 N ATOM 323 CA LEU A 23 2.331 5.494 5.017 1.00 0.00 C ATOM 324 C LEU A 23 1.891 6.881 5.491 1.00 0.00 C ATOM 325 O LEU A 23 1.837 7.143 6.691 1.00 0.00 O ATOM 326 CB LEU A 23 3.840 5.370 4.798 1.00 0.00 C ATOM 327 CG LEU A 23 4.389 3.945 4.706 1.00 0.00 C ATOM 328 CD1 LEU A 23 3.636 3.005 5.650 1.00 0.00 C ATOM 329 CD2 LEU A 23 4.369 3.442 3.261 1.00 0.00 C ATOM 0 H LEU A 23 2.173 5.169 2.952 1.00 0.00 H new ATOM 0 HA LEU A 23 2.089 4.792 5.815 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.099 5.898 3.880 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.349 5.882 5.614 1.00 0.00 H new ATOM 0 HG LEU A 23 5.430 3.959 5.028 1.00 0.00 H new ATOM 0 HD11 LEU A 23 4.046 1.999 5.565 1.00 0.00 H new ATOM 0 HD12 LEU A 23 3.745 3.356 6.676 1.00 0.00 H new ATOM 0 HD13 LEU A 23 2.580 2.990 5.382 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.764 2.427 3.224 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.345 3.446 2.888 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.984 4.094 2.640 1.00 0.00 H new ATOM 340 N GLY A 24 1.587 7.733 4.521 1.00 0.00 N ATOM 341 CA GLY A 24 1.154 9.087 4.824 1.00 0.00 C ATOM 342 C GLY A 24 -0.220 9.084 5.498 1.00 0.00 C ATOM 343 O GLY A 24 -0.479 9.889 6.391 1.00 0.00 O ATOM 0 H GLY A 24 1.632 7.512 3.526 1.00 0.00 H new ATOM 0 HA2 GLY A 24 1.882 9.568 5.477 1.00 0.00 H new ATOM 0 HA3 GLY A 24 1.112 9.673 3.906 1.00 0.00 H new ATOM 347 N TYR A 25 -1.066 8.172 5.042 1.00 0.00 N ATOM 348 CA TYR A 25 -2.407 8.054 5.589 1.00 0.00 C ATOM 349 C TYR A 25 -2.367 7.560 7.036 1.00 0.00 C ATOM 350 O TYR A 25 -3.140 8.022 7.874 1.00 0.00 O ATOM 351 CB TYR A 25 -3.124 7.014 4.727 1.00 0.00 C ATOM 352 CG TYR A 25 -4.604 7.319 4.486 1.00 0.00 C ATOM 353 CD1 TYR A 25 -5.012 8.616 4.249 1.00 0.00 C ATOM 354 CD2 TYR A 25 -5.531 6.297 4.507 1.00 0.00 C ATOM 355 CE1 TYR A 25 -6.405 8.902 4.023 1.00 0.00 C ATOM 356 CE2 TYR A 25 -6.924 6.584 4.281 1.00 0.00 C ATOM 357 CZ TYR A 25 -7.293 7.872 4.050 1.00 0.00 C ATOM 358 OH TYR A 25 -8.608 8.143 3.837 1.00 0.00 O ATOM 0 H TYR A 25 -0.849 7.507 4.299 1.00 0.00 H new ATOM 0 HA TYR A 25 -2.911 9.021 5.583 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -2.617 6.943 3.765 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -3.038 6.039 5.206 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -4.287 9.416 4.233 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -5.212 5.282 4.693 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -6.738 9.912 3.836 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -7.660 5.793 4.295 1.00 0.00 H new ATOM 0 HH TYR A 25 -9.125 7.312 3.884 1.00 0.00 H new ATOM 367 N ALA A 26 -1.460 6.629 7.285 1.00 0.00 N ATOM 368 CA ALA A 26 -1.309 6.066 8.617 1.00 0.00 C ATOM 369 C ALA A 26 -0.366 6.950 9.435 1.00 0.00 C ATOM 370 O ALA A 26 -0.213 6.753 10.640 1.00 0.00 O ATOM 371 CB ALA A 26 -0.810 4.624 8.509 1.00 0.00 C ATOM 0 H ALA A 26 -0.821 6.249 6.587 1.00 0.00 H new ATOM 0 HA ALA A 26 -2.268 6.040 9.134 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -0.697 4.202 9.508 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -1.530 4.031 7.944 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.153 4.609 7.998 1.00 0.00 H new ATOM 377 N GLY A 27 0.244 7.905 8.747 1.00 0.00 N ATOM 378 CA GLY A 27 1.169 8.820 9.396 1.00 0.00 C ATOM 379 C GLY A 27 2.595 8.268 9.370 1.00 0.00 C ATOM 380 O GLY A 27 3.560 9.030 9.381 1.00 0.00 O ATOM 0 H GLY A 27 0.116 8.065 7.748 1.00 0.00 H new ATOM 0 HA2 GLY A 27 1.141 9.788 8.895 1.00 0.00 H new ATOM 0 HA3 GLY A 27 0.858 8.986 10.427 1.00 0.00 H new ATOM 384 N ARG A 28 2.683 6.946 9.337 1.00 0.00 N ATOM 385 CA ARG A 28 3.975 6.282 9.309 1.00 0.00 C ATOM 386 C ARG A 28 4.940 7.039 8.394 1.00 0.00 C ATOM 387 O ARG A 28 4.516 7.692 7.442 1.00 0.00 O ATOM 388 CB ARG A 28 3.842 4.839 8.819 1.00 0.00 C ATOM 389 CG ARG A 28 3.403 3.912 9.954 1.00 0.00 C ATOM 390 CD ARG A 28 4.613 3.347 10.700 1.00 0.00 C ATOM 391 NE ARG A 28 4.344 1.953 11.119 1.00 0.00 N ATOM 392 CZ ARG A 28 3.456 1.610 12.061 1.00 0.00 C ATOM 393 NH1 ARG A 28 2.745 2.557 12.689 1.00 0.00 N ATOM 394 NH2 ARG A 28 3.277 0.320 12.375 1.00 0.00 N ATOM 0 H ARG A 28 1.880 6.317 9.329 1.00 0.00 H new ATOM 0 HA ARG A 28 4.366 6.272 10.326 1.00 0.00 H new ATOM 0 HB2 ARG A 28 3.117 4.793 8.006 1.00 0.00 H new ATOM 0 HB3 ARG A 28 4.796 4.499 8.415 1.00 0.00 H new ATOM 0 HG2 ARG A 28 2.766 4.459 10.649 1.00 0.00 H new ATOM 0 HG3 ARG A 28 2.806 3.094 9.550 1.00 0.00 H new ATOM 0 HD2 ARG A 28 5.494 3.379 10.058 1.00 0.00 H new ATOM 0 HD3 ARG A 28 4.832 3.962 11.573 1.00 0.00 H new ATOM 0 HE ARG A 28 4.868 1.207 10.662 1.00 0.00 H new ATOM 0 HH11 ARG A 28 2.880 3.539 12.449 1.00 0.00 H new ATOM 0 HH12 ARG A 28 2.069 2.295 13.406 1.00 0.00 H new ATOM 0 HH21 ARG A 28 3.817 -0.401 11.897 1.00 0.00 H new ATOM 0 HH22 ARG A 28 2.601 0.059 13.092 1.00 0.00 H new ATOM 405 N ASN A 29 6.221 6.924 8.715 1.00 0.00 N ATOM 406 CA ASN A 29 7.250 7.588 7.933 1.00 0.00 C ATOM 407 C ASN A 29 7.467 6.821 6.626 1.00 0.00 C ATOM 408 O ASN A 29 7.513 5.592 6.624 1.00 0.00 O ATOM 409 CB ASN A 29 8.580 7.621 8.688 1.00 0.00 C ATOM 410 CG ASN A 29 9.585 8.539 7.989 1.00 0.00 C ATOM 411 OD1 ASN A 29 9.315 9.695 7.705 1.00 0.00 O ATOM 412 ND2 ASN A 29 10.754 7.963 7.730 1.00 0.00 N ATOM 0 H ASN A 29 6.569 6.381 9.505 1.00 0.00 H new ATOM 0 HA ASN A 29 6.920 8.609 7.739 1.00 0.00 H new ATOM 0 HB2 ASN A 29 8.415 7.967 9.708 1.00 0.00 H new ATOM 0 HB3 ASN A 29 8.989 6.613 8.756 1.00 0.00 H new ATOM 0 HD21 ASN A 29 11.492 8.493 7.266 1.00 0.00 H new ATOM 0 HD22 ASN A 29 10.913 6.991 7.995 1.00 0.00 H new ATOM 418 N LYS A 30 7.594 7.579 5.547 1.00 0.00 N ATOM 419 CA LYS A 30 7.805 6.987 4.237 1.00 0.00 C ATOM 420 C LYS A 30 9.216 7.324 3.751 1.00 0.00 C ATOM 421 O LYS A 30 10.117 7.546 4.557 1.00 0.00 O ATOM 422 CB LYS A 30 6.701 7.419 3.269 1.00 0.00 C ATOM 423 CG LYS A 30 6.875 8.883 2.860 1.00 0.00 C ATOM 424 CD LYS A 30 5.651 9.712 3.256 1.00 0.00 C ATOM 425 CE LYS A 30 5.616 11.038 2.493 1.00 0.00 C ATOM 426 NZ LYS A 30 4.252 11.309 1.988 1.00 0.00 N ATOM 0 H LYS A 30 7.555 8.598 5.553 1.00 0.00 H new ATOM 0 HA LYS A 30 7.738 5.901 4.295 1.00 0.00 H new ATOM 0 HB2 LYS A 30 6.721 6.785 2.383 1.00 0.00 H new ATOM 0 HB3 LYS A 30 5.727 7.282 3.738 1.00 0.00 H new ATOM 0 HG2 LYS A 30 7.766 9.294 3.335 1.00 0.00 H new ATOM 0 HG3 LYS A 30 7.030 8.948 1.783 1.00 0.00 H new ATOM 0 HD2 LYS A 30 4.742 9.146 3.051 1.00 0.00 H new ATOM 0 HD3 LYS A 30 5.670 9.906 4.328 1.00 0.00 H new ATOM 0 HE2 LYS A 30 5.936 11.849 3.147 1.00 0.00 H new ATOM 0 HE3 LYS A 30 6.318 11.004 1.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 4.224 11.149 0.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 3.576 10.672 2.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 3.996 12.296 2.192 1.00 0.00 H new ATOM 436 N HIS A 31 9.363 7.351 2.435 1.00 0.00 N ATOM 437 CA HIS A 31 10.650 7.656 1.832 1.00 0.00 C ATOM 438 C HIS A 31 11.489 6.380 1.738 1.00 0.00 C ATOM 439 O HIS A 31 11.376 5.496 2.586 1.00 0.00 O ATOM 440 CB HIS A 31 11.356 8.777 2.598 1.00 0.00 C ATOM 441 CG HIS A 31 12.261 9.629 1.742 1.00 0.00 C ATOM 442 ND1 HIS A 31 13.080 10.615 2.266 1.00 0.00 N ATOM 443 CD2 HIS A 31 12.469 9.635 0.394 1.00 0.00 C ATOM 444 CE1 HIS A 31 13.745 11.181 1.270 1.00 0.00 C ATOM 445 NE2 HIS A 31 13.365 10.572 0.110 1.00 0.00 N ATOM 0 H HIS A 31 8.613 7.167 1.769 1.00 0.00 H new ATOM 0 HA HIS A 31 10.502 8.026 0.817 1.00 0.00 H new ATOM 0 HB2 HIS A 31 10.604 9.416 3.062 1.00 0.00 H new ATOM 0 HB3 HIS A 31 11.943 8.338 3.405 1.00 0.00 H new ATOM 0 HD2 HIS A 31 11.986 8.986 -0.322 1.00 0.00 H new ATOM 0 HE1 HIS A 31 14.462 11.984 1.360 1.00 0.00 H new ATOM 0 HE2 HIS A 31 13.712 10.799 -0.822 1.00 0.00 H new ATOM 452 N GLY A 32 12.311 6.326 0.700 1.00 0.00 N ATOM 453 CA GLY A 32 13.169 5.174 0.486 1.00 0.00 C ATOM 454 C GLY A 32 12.755 4.410 -0.774 1.00 0.00 C ATOM 455 O GLY A 32 11.834 4.819 -1.478 1.00 0.00 O ATOM 0 H GLY A 32 12.401 7.061 -0.001 1.00 0.00 H new ATOM 0 HA2 GLY A 32 14.205 5.500 0.395 1.00 0.00 H new ATOM 0 HA3 GLY A 32 13.118 4.512 1.351 1.00 0.00 H new ATOM 459 N ARG A 33 13.459 3.315 -1.021 1.00 0.00 N ATOM 460 CA ARG A 33 13.177 2.491 -2.184 1.00 0.00 C ATOM 461 C ARG A 33 11.777 1.883 -2.076 1.00 0.00 C ATOM 462 O ARG A 33 11.139 1.965 -1.028 1.00 0.00 O ATOM 463 CB ARG A 33 14.204 1.365 -2.324 1.00 0.00 C ATOM 464 CG ARG A 33 14.540 0.757 -0.960 1.00 0.00 C ATOM 465 CD ARG A 33 14.967 -0.705 -1.102 1.00 0.00 C ATOM 466 NE ARG A 33 16.395 -0.854 -0.743 1.00 0.00 N ATOM 467 CZ ARG A 33 17.410 -0.590 -1.577 1.00 0.00 C ATOM 468 NH1 ARG A 33 17.161 -0.164 -2.823 1.00 0.00 N ATOM 469 NH2 ARG A 33 18.674 -0.754 -1.166 1.00 0.00 N ATOM 0 H ARG A 33 14.224 2.979 -0.436 1.00 0.00 H new ATOM 0 HA ARG A 33 13.233 3.131 -3.065 1.00 0.00 H new ATOM 0 HB2 ARG A 33 13.813 0.591 -2.985 1.00 0.00 H new ATOM 0 HB3 ARG A 33 15.112 1.751 -2.788 1.00 0.00 H new ATOM 0 HG2 ARG A 33 15.340 1.329 -0.490 1.00 0.00 H new ATOM 0 HG3 ARG A 33 13.672 0.824 -0.304 1.00 0.00 H new ATOM 0 HD2 ARG A 33 14.354 -1.335 -0.458 1.00 0.00 H new ATOM 0 HD3 ARG A 33 14.804 -1.042 -2.126 1.00 0.00 H new ATOM 0 HE ARG A 33 16.621 -1.178 0.198 1.00 0.00 H new ATOM 0 HH11 ARG A 33 16.198 -0.041 -3.137 1.00 0.00 H new ATOM 0 HH12 ARG A 33 17.934 0.037 -3.457 1.00 0.00 H new ATOM 0 HH21 ARG A 33 18.864 -1.080 -0.218 1.00 0.00 H new ATOM 0 HH22 ARG A 33 19.447 -0.553 -1.801 1.00 0.00 H new ATOM 480 N LYS A 34 11.339 1.286 -3.176 1.00 0.00 N ATOM 481 CA LYS A 34 10.027 0.666 -3.219 1.00 0.00 C ATOM 482 C LYS A 34 10.026 -0.578 -2.328 1.00 0.00 C ATOM 483 O LYS A 34 9.046 -0.852 -1.637 1.00 0.00 O ATOM 484 CB LYS A 34 9.613 0.387 -4.665 1.00 0.00 C ATOM 485 CG LYS A 34 8.230 -0.266 -4.724 1.00 0.00 C ATOM 486 CD LYS A 34 7.123 0.786 -4.634 1.00 0.00 C ATOM 487 CE LYS A 34 6.205 0.722 -5.857 1.00 0.00 C ATOM 488 NZ LYS A 34 6.994 0.850 -7.103 1.00 0.00 N ATOM 0 H LYS A 34 11.871 1.219 -4.044 1.00 0.00 H new ATOM 0 HA LYS A 34 9.272 1.344 -2.821 1.00 0.00 H new ATOM 0 HB2 LYS A 34 9.603 1.319 -5.230 1.00 0.00 H new ATOM 0 HB3 LYS A 34 10.347 -0.265 -5.138 1.00 0.00 H new ATOM 0 HG2 LYS A 34 8.128 -0.828 -5.653 1.00 0.00 H new ATOM 0 HG3 LYS A 34 8.126 -0.980 -3.907 1.00 0.00 H new ATOM 0 HD2 LYS A 34 6.539 0.628 -3.728 1.00 0.00 H new ATOM 0 HD3 LYS A 34 7.566 1.779 -4.559 1.00 0.00 H new ATOM 0 HE2 LYS A 34 5.659 -0.221 -5.860 1.00 0.00 H new ATOM 0 HE3 LYS A 34 5.464 1.519 -5.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 6.430 1.347 -7.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 7.862 1.389 -6.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 7.245 -0.096 -7.454 1.00 0.00 H new ATOM 498 N HIS A 35 11.137 -1.300 -2.374 1.00 0.00 N ATOM 499 CA HIS A 35 11.277 -2.509 -1.580 1.00 0.00 C ATOM 500 C HIS A 35 11.076 -2.176 -0.100 1.00 0.00 C ATOM 501 O HIS A 35 10.373 -2.893 0.611 1.00 0.00 O ATOM 502 CB HIS A 35 12.619 -3.189 -1.858 1.00 0.00 C ATOM 503 CG HIS A 35 12.958 -4.299 -0.891 1.00 0.00 C ATOM 504 ND1 HIS A 35 12.863 -5.638 -1.226 1.00 0.00 N ATOM 505 CD2 HIS A 35 13.390 -4.253 0.402 1.00 0.00 C ATOM 506 CE1 HIS A 35 13.224 -6.359 -0.173 1.00 0.00 C ATOM 507 NE2 HIS A 35 13.551 -5.499 0.833 1.00 0.00 N ATOM 0 H HIS A 35 11.948 -1.071 -2.949 1.00 0.00 H new ATOM 0 HA HIS A 35 10.507 -3.226 -1.863 1.00 0.00 H new ATOM 0 HB2 HIS A 35 12.607 -3.594 -2.870 1.00 0.00 H new ATOM 0 HB3 HIS A 35 13.409 -2.438 -1.825 1.00 0.00 H new ATOM 0 HD2 HIS A 35 13.570 -3.357 0.977 1.00 0.00 H new ATOM 0 HE1 HIS A 35 13.254 -7.437 -0.122 1.00 0.00 H new ATOM 0 HE2 HIS A 35 13.868 -5.768 1.764 1.00 0.00 H new ATOM 514 N GLU A 36 11.706 -1.090 0.321 1.00 0.00 N ATOM 515 CA GLU A 36 11.605 -0.653 1.703 1.00 0.00 C ATOM 516 C GLU A 36 10.190 -0.156 2.000 1.00 0.00 C ATOM 517 O GLU A 36 9.638 -0.440 3.062 1.00 0.00 O ATOM 518 CB GLU A 36 12.643 0.426 2.014 1.00 0.00 C ATOM 519 CG GLU A 36 14.060 -0.153 1.996 1.00 0.00 C ATOM 520 CD GLU A 36 14.610 -0.299 3.416 1.00 0.00 C ATOM 521 OE1 GLU A 36 14.263 -1.314 4.058 1.00 0.00 O ATOM 522 OE2 GLU A 36 15.366 0.608 3.828 1.00 0.00 O ATOM 0 H GLU A 36 12.289 -0.499 -0.271 1.00 0.00 H new ATOM 0 HA GLU A 36 11.812 -1.506 2.350 1.00 0.00 H new ATOM 0 HB2 GLU A 36 12.566 1.231 1.283 1.00 0.00 H new ATOM 0 HB3 GLU A 36 12.437 0.862 2.991 1.00 0.00 H new ATOM 0 HG2 GLU A 36 14.053 -1.125 1.503 1.00 0.00 H new ATOM 0 HG3 GLU A 36 14.714 0.495 1.413 1.00 0.00 H new ATOM 527 N LEU A 37 9.642 0.579 1.044 1.00 0.00 N ATOM 528 CA LEU A 37 8.301 1.119 1.191 1.00 0.00 C ATOM 529 C LEU A 37 7.288 -0.027 1.159 1.00 0.00 C ATOM 530 O LEU A 37 6.295 -0.004 1.886 1.00 0.00 O ATOM 531 CB LEU A 37 8.040 2.198 0.139 1.00 0.00 C ATOM 532 CG LEU A 37 8.689 3.560 0.399 1.00 0.00 C ATOM 533 CD1 LEU A 37 8.676 4.424 -0.863 1.00 0.00 C ATOM 534 CD2 LEU A 37 8.027 4.265 1.585 1.00 0.00 C ATOM 0 H LEU A 37 10.102 0.813 0.164 1.00 0.00 H new ATOM 0 HA LEU A 37 8.194 1.614 2.156 1.00 0.00 H new ATOM 0 HB2 LEU A 37 8.390 1.829 -0.825 1.00 0.00 H new ATOM 0 HB3 LEU A 37 6.963 2.341 0.054 1.00 0.00 H new ATOM 0 HG LEU A 37 9.733 3.396 0.665 1.00 0.00 H new ATOM 0 HD11 LEU A 37 9.143 5.386 -0.650 1.00 0.00 H new ATOM 0 HD12 LEU A 37 9.229 3.919 -1.655 1.00 0.00 H new ATOM 0 HD13 LEU A 37 7.647 4.584 -1.184 1.00 0.00 H new ATOM 0 HD21 LEU A 37 8.507 5.230 1.748 1.00 0.00 H new ATOM 0 HD22 LEU A 37 6.969 4.417 1.373 1.00 0.00 H new ATOM 0 HD23 LEU A 37 8.134 3.651 2.479 1.00 0.00 H new ATOM 545 N LEU A 38 7.572 -1.004 0.310 1.00 0.00 N ATOM 546 CA LEU A 38 6.698 -2.156 0.174 1.00 0.00 C ATOM 547 C LEU A 38 6.558 -2.847 1.532 1.00 0.00 C ATOM 548 O LEU A 38 5.454 -3.206 1.939 1.00 0.00 O ATOM 549 CB LEU A 38 7.199 -3.081 -0.937 1.00 0.00 C ATOM 550 CG LEU A 38 6.373 -3.092 -2.224 1.00 0.00 C ATOM 551 CD1 LEU A 38 5.088 -3.903 -2.044 1.00 0.00 C ATOM 552 CD2 LEU A 38 6.088 -1.668 -2.706 1.00 0.00 C ATOM 0 H LEU A 38 8.396 -1.021 -0.291 1.00 0.00 H new ATOM 0 HA LEU A 38 5.699 -1.842 -0.130 1.00 0.00 H new ATOM 0 HB2 LEU A 38 8.221 -2.795 -1.187 1.00 0.00 H new ATOM 0 HB3 LEU A 38 7.239 -4.098 -0.546 1.00 0.00 H new ATOM 0 HG LEU A 38 6.959 -3.584 -3.001 1.00 0.00 H new ATOM 0 HD11 LEU A 38 4.519 -3.895 -2.974 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.340 -4.931 -1.782 1.00 0.00 H new ATOM 0 HD13 LEU A 38 4.488 -3.462 -1.248 1.00 0.00 H new ATOM 0 HD21 LEU A 38 5.499 -1.705 -3.623 1.00 0.00 H new ATOM 0 HD22 LEU A 38 5.532 -1.129 -1.939 1.00 0.00 H new ATOM 0 HD23 LEU A 38 7.030 -1.154 -2.900 1.00 0.00 H new ATOM 563 N THR A 39 7.693 -3.011 2.196 1.00 0.00 N ATOM 564 CA THR A 39 7.710 -3.652 3.501 1.00 0.00 C ATOM 565 C THR A 39 6.907 -2.830 4.510 1.00 0.00 C ATOM 566 O THR A 39 6.246 -3.386 5.385 1.00 0.00 O ATOM 567 CB THR A 39 9.170 -3.857 3.907 1.00 0.00 C ATOM 568 OG1 THR A 39 9.652 -4.838 2.993 1.00 0.00 O ATOM 569 CG2 THR A 39 9.309 -4.526 5.277 1.00 0.00 C ATOM 0 H THR A 39 8.607 -2.712 1.856 1.00 0.00 H new ATOM 0 HA THR A 39 7.227 -4.628 3.469 1.00 0.00 H new ATOM 0 HB THR A 39 9.681 -2.894 3.919 1.00 0.00 H new ATOM 0 HG1 THR A 39 9.916 -4.403 2.155 1.00 0.00 H new ATOM 0 HG21 THR A 39 10.365 -4.648 5.517 1.00 0.00 H new ATOM 0 HG22 THR A 39 8.834 -3.904 6.036 1.00 0.00 H new ATOM 0 HG23 THR A 39 8.827 -5.503 5.255 1.00 0.00 H new ATOM 577 N LYS A 40 6.991 -1.517 4.354 1.00 0.00 N ATOM 578 CA LYS A 40 6.281 -0.611 5.242 1.00 0.00 C ATOM 579 C LYS A 40 4.775 -0.836 5.094 1.00 0.00 C ATOM 580 O LYS A 40 4.050 -0.881 6.086 1.00 0.00 O ATOM 581 CB LYS A 40 6.715 0.835 4.992 1.00 0.00 C ATOM 582 CG LYS A 40 7.507 1.382 6.181 1.00 0.00 C ATOM 583 CD LYS A 40 8.424 2.529 5.746 1.00 0.00 C ATOM 584 CE LYS A 40 9.610 2.005 4.936 1.00 0.00 C ATOM 585 NZ LYS A 40 10.873 2.609 5.415 1.00 0.00 N ATOM 0 H LYS A 40 7.540 -1.059 3.626 1.00 0.00 H new ATOM 0 HA LYS A 40 6.534 -0.819 6.281 1.00 0.00 H new ATOM 0 HB2 LYS A 40 7.325 0.885 4.090 1.00 0.00 H new ATOM 0 HB3 LYS A 40 5.837 1.457 4.818 1.00 0.00 H new ATOM 0 HG2 LYS A 40 6.819 1.733 6.951 1.00 0.00 H new ATOM 0 HG3 LYS A 40 8.102 0.584 6.625 1.00 0.00 H new ATOM 0 HD2 LYS A 40 7.859 3.245 5.149 1.00 0.00 H new ATOM 0 HD3 LYS A 40 8.786 3.063 6.625 1.00 0.00 H new ATOM 0 HE2 LYS A 40 9.664 0.920 5.020 1.00 0.00 H new ATOM 0 HE3 LYS A 40 9.467 2.236 3.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 11.668 2.242 4.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 10.824 3.643 5.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 11.015 2.367 6.416 1.00 0.00 H new ATOM 595 N ALA A 41 4.349 -0.970 3.846 1.00 0.00 N ATOM 596 CA ALA A 41 2.943 -1.189 3.555 1.00 0.00 C ATOM 597 C ALA A 41 2.545 -2.594 4.011 1.00 0.00 C ATOM 598 O ALA A 41 1.522 -2.770 4.671 1.00 0.00 O ATOM 599 CB ALA A 41 2.689 -0.966 2.063 1.00 0.00 C ATOM 0 H ALA A 41 4.953 -0.931 3.025 1.00 0.00 H new ATOM 0 HA ALA A 41 2.323 -0.478 4.101 1.00 0.00 H new ATOM 0 HB1 ALA A 41 1.634 -1.130 1.845 1.00 0.00 H new ATOM 0 HB2 ALA A 41 2.960 0.056 1.797 1.00 0.00 H new ATOM 0 HB3 ALA A 41 3.292 -1.664 1.483 1.00 0.00 H new ATOM 605 N LEU A 42 3.373 -3.559 3.638 1.00 0.00 N ATOM 606 CA LEU A 42 3.121 -4.944 4.000 1.00 0.00 C ATOM 607 C LEU A 42 3.130 -5.078 5.525 1.00 0.00 C ATOM 608 O LEU A 42 2.265 -5.737 6.098 1.00 0.00 O ATOM 609 CB LEU A 42 4.112 -5.871 3.295 1.00 0.00 C ATOM 610 CG LEU A 42 4.061 -5.869 1.766 1.00 0.00 C ATOM 611 CD1 LEU A 42 4.266 -7.279 1.208 1.00 0.00 C ATOM 612 CD2 LEU A 42 2.762 -5.237 1.262 1.00 0.00 C ATOM 0 H LEU A 42 4.219 -3.409 3.089 1.00 0.00 H new ATOM 0 HA LEU A 42 2.133 -5.253 3.658 1.00 0.00 H new ATOM 0 HB2 LEU A 42 5.120 -5.596 3.605 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.938 -6.889 3.643 1.00 0.00 H new ATOM 0 HG LEU A 42 4.883 -5.255 1.398 1.00 0.00 H new ATOM 0 HD11 LEU A 42 4.225 -7.249 0.119 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.238 -7.658 1.524 1.00 0.00 H new ATOM 0 HD13 LEU A 42 3.481 -7.936 1.582 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.751 -5.248 0.172 1.00 0.00 H new ATOM 0 HD22 LEU A 42 1.911 -5.804 1.639 1.00 0.00 H new ATOM 0 HD23 LEU A 42 2.697 -4.208 1.615 1.00 0.00 H new ATOM 623 N HIS A 43 4.118 -4.441 6.137 1.00 0.00 N ATOM 624 CA HIS A 43 4.251 -4.483 7.583 1.00 0.00 C ATOM 625 C HIS A 43 3.037 -3.812 8.229 1.00 0.00 C ATOM 626 O HIS A 43 2.642 -4.171 9.338 1.00 0.00 O ATOM 627 CB HIS A 43 5.578 -3.858 8.023 1.00 0.00 C ATOM 628 CG HIS A 43 6.774 -4.758 7.827 1.00 0.00 C ATOM 629 ND1 HIS A 43 8.003 -4.510 8.415 1.00 0.00 N ATOM 630 CD2 HIS A 43 6.919 -5.904 7.102 1.00 0.00 C ATOM 631 CE1 HIS A 43 8.841 -5.471 8.054 1.00 0.00 C ATOM 632 NE2 HIS A 43 8.167 -6.333 7.239 1.00 0.00 N ATOM 0 H HIS A 43 4.833 -3.894 5.658 1.00 0.00 H new ATOM 0 HA HIS A 43 4.273 -5.519 7.921 1.00 0.00 H new ATOM 0 HB2 HIS A 43 5.736 -2.935 7.466 1.00 0.00 H new ATOM 0 HB3 HIS A 43 5.509 -3.587 9.076 1.00 0.00 H new ATOM 0 HD2 HIS A 43 6.148 -6.382 6.515 1.00 0.00 H new ATOM 0 HE1 HIS A 43 9.875 -5.557 8.352 1.00 0.00 H new ATOM 0 HE2 HIS A 43 8.558 -7.170 6.806 1.00 0.00 H new ATOM 639 N LEU A 44 2.478 -2.851 7.508 1.00 0.00 N ATOM 640 CA LEU A 44 1.317 -2.128 7.997 1.00 0.00 C ATOM 641 C LEU A 44 0.160 -3.108 8.202 1.00 0.00 C ATOM 642 O LEU A 44 -0.577 -3.007 9.181 1.00 0.00 O ATOM 643 CB LEU A 44 0.980 -0.963 7.065 1.00 0.00 C ATOM 644 CG LEU A 44 1.312 0.435 7.590 1.00 0.00 C ATOM 645 CD1 LEU A 44 0.670 1.515 6.719 1.00 0.00 C ATOM 646 CD2 LEU A 44 0.916 0.577 9.061 1.00 0.00 C ATOM 0 H LEU A 44 2.808 -2.556 6.589 1.00 0.00 H new ATOM 0 HA LEU A 44 1.529 -1.678 8.967 1.00 0.00 H new ATOM 0 HB2 LEU A 44 1.510 -1.111 6.124 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.086 -1.001 6.839 1.00 0.00 H new ATOM 0 HG LEU A 44 2.392 0.573 7.532 1.00 0.00 H new ATOM 0 HD11 LEU A 44 0.922 2.499 7.115 1.00 0.00 H new ATOM 0 HD12 LEU A 44 1.042 1.428 5.698 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.413 1.389 6.722 1.00 0.00 H new ATOM 0 HD21 LEU A 44 1.163 1.580 9.409 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -0.156 0.410 9.167 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.458 -0.157 9.656 1.00 0.00 H new ATOM 657 N LEU A 45 0.038 -4.033 7.261 1.00 0.00 N ATOM 658 CA LEU A 45 -1.017 -5.030 7.325 1.00 0.00 C ATOM 659 C LEU A 45 -0.770 -5.952 8.521 1.00 0.00 C ATOM 660 O LEU A 45 -1.707 -6.530 9.068 1.00 0.00 O ATOM 661 CB LEU A 45 -1.136 -5.771 5.992 1.00 0.00 C ATOM 662 CG LEU A 45 -1.670 -4.952 4.815 1.00 0.00 C ATOM 663 CD1 LEU A 45 -0.694 -4.984 3.637 1.00 0.00 C ATOM 664 CD2 LEU A 45 -3.070 -5.420 4.412 1.00 0.00 C ATOM 0 H LEU A 45 0.652 -4.113 6.450 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.983 -4.552 7.485 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -0.152 -6.156 5.724 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.788 -6.633 6.135 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.757 -3.913 5.133 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.098 -4.394 2.814 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.264 -4.567 3.947 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.552 -6.014 3.310 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.426 -4.822 3.573 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.033 -6.469 4.119 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.750 -5.303 5.256 1.00 0.00 H new ATOM 675 N LYS A 46 0.498 -6.061 8.891 1.00 0.00 N ATOM 676 CA LYS A 46 0.881 -6.903 10.012 1.00 0.00 C ATOM 677 C LYS A 46 0.825 -6.082 11.302 1.00 0.00 C ATOM 678 O LYS A 46 0.593 -6.628 12.379 1.00 0.00 O ATOM 679 CB LYS A 46 2.241 -7.552 9.754 1.00 0.00 C ATOM 680 CG LYS A 46 2.195 -8.451 8.516 1.00 0.00 C ATOM 681 CD LYS A 46 3.018 -9.723 8.729 1.00 0.00 C ATOM 682 CE LYS A 46 4.513 -9.439 8.579 1.00 0.00 C ATOM 683 NZ LYS A 46 5.310 -10.578 9.090 1.00 0.00 N ATOM 0 H LYS A 46 1.273 -5.580 8.434 1.00 0.00 H new ATOM 0 HA LYS A 46 0.178 -7.728 10.128 1.00 0.00 H new ATOM 0 HB2 LYS A 46 2.997 -6.779 9.618 1.00 0.00 H new ATOM 0 HB3 LYS A 46 2.538 -8.139 10.623 1.00 0.00 H new ATOM 0 HG2 LYS A 46 1.161 -8.716 8.293 1.00 0.00 H new ATOM 0 HG3 LYS A 46 2.578 -7.907 7.653 1.00 0.00 H new ATOM 0 HD2 LYS A 46 2.819 -10.128 9.721 1.00 0.00 H new ATOM 0 HD3 LYS A 46 2.714 -10.482 8.008 1.00 0.00 H new ATOM 0 HE2 LYS A 46 4.752 -9.261 7.531 1.00 0.00 H new ATOM 0 HE3 LYS A 46 4.773 -8.532 9.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 6.323 -10.369 8.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 5.094 -10.729 10.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 5.073 -11.436 8.552 1.00 0.00 H new ATOM 693 N ALA A 47 1.044 -4.785 11.150 1.00 0.00 N ATOM 694 CA ALA A 47 1.022 -3.884 12.290 1.00 0.00 C ATOM 695 C ALA A 47 -0.422 -3.468 12.579 1.00 0.00 C ATOM 696 O ALA A 47 -0.669 -2.635 13.449 1.00 0.00 O ATOM 697 CB ALA A 47 1.930 -2.684 12.011 1.00 0.00 C ATOM 0 H ALA A 47 1.238 -4.336 10.255 1.00 0.00 H new ATOM 0 HA ALA A 47 1.406 -4.383 13.180 1.00 0.00 H new ATOM 0 HB1 ALA A 47 1.913 -2.008 12.866 1.00 0.00 H new ATOM 0 HB2 ALA A 47 2.950 -3.031 11.842 1.00 0.00 H new ATOM 0 HB3 ALA A 47 1.575 -2.157 11.125 1.00 0.00 H new ATOM 703 N GLY A 48 -1.337 -4.066 11.830 1.00 0.00 N ATOM 704 CA GLY A 48 -2.750 -3.768 11.994 1.00 0.00 C ATOM 705 C GLY A 48 -3.143 -2.522 11.198 1.00 0.00 C ATOM 706 O GLY A 48 -3.447 -1.481 11.778 1.00 0.00 O ATOM 0 H GLY A 48 -1.127 -4.755 11.108 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -3.346 -4.619 11.663 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -2.973 -3.615 13.050 1.00 0.00 H new ATOM 710 N CYS A 49 -3.124 -2.670 9.882 1.00 0.00 N ATOM 711 CA CYS A 49 -3.476 -1.570 9.000 1.00 0.00 C ATOM 712 C CYS A 49 -4.975 -1.300 9.144 1.00 0.00 C ATOM 713 O CYS A 49 -5.771 -2.232 9.243 1.00 0.00 O ATOM 714 CB CYS A 49 -3.085 -1.861 7.549 1.00 0.00 C ATOM 715 SG CYS A 49 -4.127 -3.206 6.878 1.00 0.00 S ATOM 0 H CYS A 49 -2.870 -3.535 9.405 1.00 0.00 H new ATOM 0 HA CYS A 49 -2.918 -0.678 9.286 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -3.204 -0.962 6.944 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -2.034 -2.144 7.497 1.00 0.00 H new ATOM 0 HG CYS A 49 -5.203 -3.321 7.598 1.00 0.00 H new ATOM 720 N SER A 50 -5.314 -0.019 9.149 1.00 0.00 N ATOM 721 CA SER A 50 -6.704 0.386 9.280 1.00 0.00 C ATOM 722 C SER A 50 -7.494 -0.051 8.045 1.00 0.00 C ATOM 723 O SER A 50 -6.909 -0.398 7.020 1.00 0.00 O ATOM 724 CB SER A 50 -6.820 1.900 9.475 1.00 0.00 C ATOM 725 OG SER A 50 -7.214 2.237 10.802 1.00 0.00 O ATOM 0 H SER A 50 -4.651 0.752 9.065 1.00 0.00 H new ATOM 0 HA SER A 50 -7.121 -0.100 10.162 1.00 0.00 H new ATOM 0 HB2 SER A 50 -5.862 2.369 9.251 1.00 0.00 H new ATOM 0 HB3 SER A 50 -7.545 2.302 8.768 1.00 0.00 H new ATOM 0 HG SER A 50 -7.275 3.211 10.888 1.00 0.00 H new ATOM 730 N PRO A 51 -8.847 -0.019 8.187 1.00 0.00 N ATOM 731 CA PRO A 51 -9.723 -0.408 7.096 1.00 0.00 C ATOM 732 C PRO A 51 -9.776 0.679 6.020 1.00 0.00 C ATOM 733 O PRO A 51 -10.053 0.393 4.856 1.00 0.00 O ATOM 734 CB PRO A 51 -11.072 -0.665 7.747 1.00 0.00 C ATOM 735 CG PRO A 51 -11.023 0.034 9.096 1.00 0.00 C ATOM 736 CD PRO A 51 -9.574 0.387 9.386 1.00 0.00 C ATOM 0 HA PRO A 51 -9.372 -1.297 6.572 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -11.883 -0.273 7.133 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -11.251 -1.734 7.867 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -11.639 0.933 9.083 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -11.421 -0.614 9.876 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -9.457 1.454 9.578 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -9.207 -0.138 10.268 1.00 0.00 H new ATOM 741 N ALA A 52 -9.504 1.903 6.448 1.00 0.00 N ATOM 742 CA ALA A 52 -9.517 3.034 5.536 1.00 0.00 C ATOM 743 C ALA A 52 -8.337 2.919 4.570 1.00 0.00 C ATOM 744 O ALA A 52 -8.461 3.245 3.391 1.00 0.00 O ATOM 745 CB ALA A 52 -9.489 4.337 6.338 1.00 0.00 C ATOM 0 H ALA A 52 -9.273 2.136 7.414 1.00 0.00 H new ATOM 0 HA ALA A 52 -10.430 3.036 4.941 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -9.499 5.186 5.654 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -10.364 4.384 6.987 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -8.585 4.371 6.945 1.00 0.00 H new ATOM 751 N VAL A 53 -7.218 2.452 5.105 1.00 0.00 N ATOM 752 CA VAL A 53 -6.017 2.290 4.305 1.00 0.00 C ATOM 753 C VAL A 53 -6.168 1.058 3.409 1.00 0.00 C ATOM 754 O VAL A 53 -5.685 1.046 2.279 1.00 0.00 O ATOM 755 CB VAL A 53 -4.788 2.220 5.214 1.00 0.00 C ATOM 756 CG1 VAL A 53 -3.508 2.518 4.431 1.00 0.00 C ATOM 757 CG2 VAL A 53 -4.933 3.166 6.407 1.00 0.00 C ATOM 0 H VAL A 53 -7.119 2.181 6.083 1.00 0.00 H new ATOM 0 HA VAL A 53 -5.874 3.151 3.653 1.00 0.00 H new ATOM 0 HB VAL A 53 -4.716 1.203 5.600 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -2.650 2.462 5.101 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.392 1.787 3.631 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -3.568 3.518 4.002 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -4.046 3.096 7.037 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -5.044 4.189 6.048 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -5.813 2.887 6.987 1.00 0.00 H new ATOM 767 N GLN A 54 -6.843 0.053 3.948 1.00 0.00 N ATOM 768 CA GLN A 54 -7.064 -1.179 3.212 1.00 0.00 C ATOM 769 C GLN A 54 -7.840 -0.895 1.924 1.00 0.00 C ATOM 770 O GLN A 54 -7.495 -1.408 0.861 1.00 0.00 O ATOM 771 CB GLN A 54 -7.793 -2.210 4.075 1.00 0.00 C ATOM 772 CG GLN A 54 -6.825 -2.906 5.034 1.00 0.00 C ATOM 773 CD GLN A 54 -7.317 -4.311 5.388 1.00 0.00 C ATOM 774 OE1 GLN A 54 -7.611 -5.128 4.531 1.00 0.00 O ATOM 775 NE2 GLN A 54 -7.392 -4.544 6.696 1.00 0.00 N ATOM 0 H GLN A 54 -7.244 0.067 4.886 1.00 0.00 H new ATOM 0 HA GLN A 54 -6.094 -1.599 2.944 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -8.584 -1.720 4.643 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -8.272 -2.951 3.435 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -5.837 -2.967 4.578 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -6.720 -2.314 5.943 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -7.130 -3.815 7.360 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -7.711 -5.452 7.035 1.00 0.00 H new ATOM 782 N MET A 55 -8.875 -0.080 2.062 1.00 0.00 N ATOM 783 CA MET A 55 -9.703 0.277 0.923 1.00 0.00 C ATOM 784 C MET A 55 -8.940 1.182 -0.047 1.00 0.00 C ATOM 785 O MET A 55 -9.159 1.125 -1.257 1.00 0.00 O ATOM 786 CB MET A 55 -10.962 0.999 1.412 1.00 0.00 C ATOM 787 CG MET A 55 -11.852 0.058 2.225 1.00 0.00 C ATOM 788 SD MET A 55 -12.576 -1.174 1.157 1.00 0.00 S ATOM 789 CE MET A 55 -12.373 -2.626 2.174 1.00 0.00 C ATOM 0 H MET A 55 -9.159 0.343 2.945 1.00 0.00 H new ATOM 0 HA MET A 55 -9.979 -0.637 0.398 1.00 0.00 H new ATOM 0 HB2 MET A 55 -10.680 1.857 2.023 1.00 0.00 H new ATOM 0 HB3 MET A 55 -11.519 1.385 0.558 1.00 0.00 H new ATOM 0 HG2 MET A 55 -11.266 -0.426 3.006 1.00 0.00 H new ATOM 0 HG3 MET A 55 -12.638 0.627 2.722 1.00 0.00 H new ATOM 0 HE1 MET A 55 -12.776 -3.494 1.653 1.00 0.00 H new ATOM 0 HE2 MET A 55 -11.314 -2.783 2.376 1.00 0.00 H new ATOM 0 HE3 MET A 55 -12.905 -2.488 3.115 1.00 0.00 H new ATOM 797 N LYS A 56 -8.061 1.996 0.520 1.00 0.00 N ATOM 798 CA LYS A 56 -7.265 2.910 -0.280 1.00 0.00 C ATOM 799 C LYS A 56 -6.393 2.109 -1.249 1.00 0.00 C ATOM 800 O LYS A 56 -6.034 2.600 -2.317 1.00 0.00 O ATOM 801 CB LYS A 56 -6.471 3.857 0.623 1.00 0.00 C ATOM 802 CG LYS A 56 -5.965 5.068 -0.164 1.00 0.00 C ATOM 803 CD LYS A 56 -7.060 6.128 -0.305 1.00 0.00 C ATOM 804 CE LYS A 56 -6.801 7.311 0.629 1.00 0.00 C ATOM 805 NZ LYS A 56 -7.823 8.364 0.427 1.00 0.00 N ATOM 0 H LYS A 56 -7.883 2.041 1.523 1.00 0.00 H new ATOM 0 HA LYS A 56 -7.910 3.547 -0.885 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -7.100 4.192 1.448 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -5.627 3.325 1.061 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -5.100 5.499 0.341 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -5.632 4.751 -1.152 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -7.102 6.477 -1.337 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -8.030 5.686 -0.078 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -6.817 6.974 1.666 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -5.808 7.719 0.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -7.633 9.160 1.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -7.788 8.697 -0.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -8.766 7.975 0.628 1.00 0.00 H new ATOM 815 N ILE A 57 -6.079 0.888 -0.840 1.00 0.00 N ATOM 816 CA ILE A 57 -5.257 0.014 -1.658 1.00 0.00 C ATOM 817 C ILE A 57 -5.952 -0.223 -3.001 1.00 0.00 C ATOM 818 O ILE A 57 -5.311 -0.188 -4.050 1.00 0.00 O ATOM 819 CB ILE A 57 -4.926 -1.273 -0.902 1.00 0.00 C ATOM 820 CG1 ILE A 57 -4.100 -0.976 0.353 1.00 0.00 C ATOM 821 CG2 ILE A 57 -4.233 -2.286 -1.816 1.00 0.00 C ATOM 822 CD1 ILE A 57 -4.180 -2.134 1.349 1.00 0.00 C ATOM 0 H ILE A 57 -6.379 0.484 0.047 1.00 0.00 H new ATOM 0 HA ILE A 57 -4.298 0.485 -1.873 1.00 0.00 H new ATOM 0 HB ILE A 57 -5.862 -1.724 -0.573 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -3.060 -0.802 0.076 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -4.462 -0.062 0.823 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -4.009 -3.192 -1.252 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -4.889 -2.531 -2.651 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -3.306 -1.858 -2.197 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -3.585 -1.897 2.231 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -5.218 -2.290 1.643 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -3.794 -3.041 0.884 1.00 0.00 H new ATOM 833 N LYS A 58 -7.252 -0.461 -2.924 1.00 0.00 N ATOM 834 CA LYS A 58 -8.042 -0.704 -4.119 1.00 0.00 C ATOM 835 C LYS A 58 -8.145 0.590 -4.929 1.00 0.00 C ATOM 836 O LYS A 58 -8.015 0.574 -6.151 1.00 0.00 O ATOM 837 CB LYS A 58 -9.397 -1.311 -3.752 1.00 0.00 C ATOM 838 CG LYS A 58 -9.224 -2.664 -3.061 1.00 0.00 C ATOM 839 CD LYS A 58 -10.025 -2.722 -1.759 1.00 0.00 C ATOM 840 CE LYS A 58 -10.555 -4.134 -1.503 1.00 0.00 C ATOM 841 NZ LYS A 58 -11.955 -4.255 -1.968 1.00 0.00 N ATOM 0 H LYS A 58 -7.779 -0.491 -2.051 1.00 0.00 H new ATOM 0 HA LYS A 58 -7.552 -1.440 -4.756 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -9.938 -0.630 -3.095 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -10.000 -1.433 -4.652 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -9.550 -3.461 -3.729 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -8.168 -2.836 -2.851 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -9.395 -2.410 -0.926 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -10.858 -2.021 -1.809 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -9.930 -4.862 -2.019 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -10.498 -4.363 -0.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -12.299 -5.220 -1.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -12.551 -3.573 -1.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -12.000 -4.057 -2.988 1.00 0.00 H new ATOM 851 N GLU A 59 -8.379 1.680 -4.213 1.00 0.00 N ATOM 852 CA GLU A 59 -8.502 2.981 -4.849 1.00 0.00 C ATOM 853 C GLU A 59 -7.189 3.364 -5.534 1.00 0.00 C ATOM 854 O GLU A 59 -7.182 3.745 -6.703 1.00 0.00 O ATOM 855 CB GLU A 59 -8.925 4.049 -3.838 1.00 0.00 C ATOM 856 CG GLU A 59 -10.114 3.570 -3.000 1.00 0.00 C ATOM 857 CD GLU A 59 -11.297 4.533 -3.128 1.00 0.00 C ATOM 858 OE1 GLU A 59 -12.078 4.346 -4.086 1.00 0.00 O ATOM 859 OE2 GLU A 59 -11.392 5.432 -2.266 1.00 0.00 O ATOM 0 H GLU A 59 -8.487 1.689 -3.199 1.00 0.00 H new ATOM 0 HA GLU A 59 -9.281 2.919 -5.609 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -8.087 4.288 -3.183 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -9.191 4.967 -4.363 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -10.414 2.574 -3.324 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -9.818 3.489 -1.954 1.00 0.00 H new ATOM 864 N LEU A 60 -6.108 3.248 -4.776 1.00 0.00 N ATOM 865 CA LEU A 60 -4.791 3.577 -5.294 1.00 0.00 C ATOM 866 C LEU A 60 -4.445 2.621 -6.437 1.00 0.00 C ATOM 867 O LEU A 60 -3.950 3.047 -7.480 1.00 0.00 O ATOM 868 CB LEU A 60 -3.758 3.586 -4.166 1.00 0.00 C ATOM 869 CG LEU A 60 -3.802 4.794 -3.227 1.00 0.00 C ATOM 870 CD1 LEU A 60 -3.255 4.432 -1.844 1.00 0.00 C ATOM 871 CD2 LEU A 60 -3.068 5.990 -3.838 1.00 0.00 C ATOM 0 H LEU A 60 -6.118 2.931 -3.807 1.00 0.00 H new ATOM 0 HA LEU A 60 -4.785 4.585 -5.708 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -3.891 2.683 -3.571 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -2.764 3.532 -4.610 1.00 0.00 H new ATOM 0 HG LEU A 60 -4.843 5.088 -3.096 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.297 5.307 -1.196 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -3.856 3.632 -1.413 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.221 4.099 -1.937 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.114 6.835 -3.151 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.026 5.725 -4.017 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -3.540 6.263 -4.782 1.00 0.00 H new ATOM 882 N TYR A 61 -4.719 1.346 -6.204 1.00 0.00 N ATOM 883 CA TYR A 61 -4.442 0.326 -7.201 1.00 0.00 C ATOM 884 C TYR A 61 -5.380 0.464 -8.401 1.00 0.00 C ATOM 885 O TYR A 61 -5.019 0.101 -9.520 1.00 0.00 O ATOM 886 CB TYR A 61 -4.705 -1.016 -6.515 1.00 0.00 C ATOM 887 CG TYR A 61 -4.489 -2.231 -7.420 1.00 0.00 C ATOM 888 CD1 TYR A 61 -5.467 -2.606 -8.317 1.00 0.00 C ATOM 889 CD2 TYR A 61 -3.314 -2.951 -7.340 1.00 0.00 C ATOM 890 CE1 TYR A 61 -5.264 -3.749 -9.170 1.00 0.00 C ATOM 891 CE2 TYR A 61 -3.110 -4.094 -8.192 1.00 0.00 C ATOM 892 CZ TYR A 61 -4.095 -4.436 -9.065 1.00 0.00 C ATOM 893 OH TYR A 61 -3.902 -5.515 -9.869 1.00 0.00 O ATOM 0 H TYR A 61 -5.130 0.996 -5.339 1.00 0.00 H new ATOM 0 HA TYR A 61 -3.419 0.415 -7.568 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -4.052 -1.102 -5.646 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -5.730 -1.029 -6.146 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -6.386 -2.042 -8.380 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -2.547 -2.657 -6.638 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -6.022 -4.053 -9.876 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -2.196 -4.666 -8.139 1.00 0.00 H new ATOM 0 HH TYR A 61 -3.023 -5.907 -9.685 1.00 0.00 H new ATOM 902 N ARG A 62 -6.565 0.990 -8.129 1.00 0.00 N ATOM 903 CA ARG A 62 -7.558 1.181 -9.173 1.00 0.00 C ATOM 904 C ARG A 62 -7.156 2.347 -10.079 1.00 0.00 C ATOM 905 O ARG A 62 -7.280 2.259 -11.299 1.00 0.00 O ATOM 906 CB ARG A 62 -8.938 1.460 -8.575 1.00 0.00 C ATOM 907 CG ARG A 62 -9.719 0.160 -8.369 1.00 0.00 C ATOM 908 CD ARG A 62 -11.136 0.277 -8.934 1.00 0.00 C ATOM 909 NE ARG A 62 -11.133 -0.046 -10.379 1.00 0.00 N ATOM 910 CZ ARG A 62 -12.233 -0.082 -11.143 1.00 0.00 C ATOM 911 NH1 ARG A 62 -13.431 0.183 -10.605 1.00 0.00 N ATOM 912 NH2 ARG A 62 -12.135 -0.385 -12.444 1.00 0.00 N ATOM 0 H ARG A 62 -6.860 1.290 -7.200 1.00 0.00 H new ATOM 0 HA ARG A 62 -7.607 0.262 -9.758 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -8.828 1.977 -7.622 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -9.497 2.124 -9.235 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -9.196 -0.664 -8.856 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -9.766 -0.076 -7.306 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -11.805 -0.400 -8.403 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -11.516 1.287 -8.779 1.00 0.00 H new ATOM 0 HE ARG A 62 -10.237 -0.254 -10.820 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -13.506 0.412 -9.614 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -14.269 0.156 -11.187 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -11.223 -0.588 -12.853 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -12.972 -0.412 -13.026 1.00 0.00 H new ATOM 923 N ARG A 63 -6.683 3.411 -9.447 1.00 0.00 N ATOM 924 CA ARG A 63 -6.264 4.592 -10.182 1.00 0.00 C ATOM 925 C ARG A 63 -4.864 4.385 -10.764 1.00 0.00 C ATOM 926 O ARG A 63 -4.296 5.298 -11.361 1.00 0.00 O ATOM 927 CB ARG A 63 -6.257 5.828 -9.280 1.00 0.00 C ATOM 928 CG ARG A 63 -7.680 6.238 -8.900 1.00 0.00 C ATOM 929 CD ARG A 63 -7.672 7.454 -7.971 1.00 0.00 C ATOM 930 NE ARG A 63 -7.251 8.660 -8.720 1.00 0.00 N ATOM 931 CZ ARG A 63 -6.894 9.816 -8.144 1.00 0.00 C ATOM 932 NH1 ARG A 63 -6.904 9.930 -6.809 1.00 0.00 N ATOM 933 NH2 ARG A 63 -6.527 10.858 -8.902 1.00 0.00 N ATOM 0 H ARG A 63 -6.581 3.480 -8.434 1.00 0.00 H new ATOM 0 HA ARG A 63 -6.978 4.751 -10.991 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -5.681 5.621 -8.378 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -5.762 6.653 -9.792 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -8.249 6.468 -9.801 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -8.183 5.405 -8.410 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -8.665 7.606 -7.549 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -6.994 7.279 -7.136 1.00 0.00 H new ATOM 0 HE ARG A 63 -7.232 8.607 -9.738 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -7.183 9.137 -6.232 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -6.632 10.810 -6.370 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -6.519 10.772 -9.918 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -6.255 11.738 -8.463 1.00 0.00 H new ATOM 944 N ARG A 64 -4.349 3.180 -10.571 1.00 0.00 N ATOM 945 CA ARG A 64 -3.028 2.842 -11.069 1.00 0.00 C ATOM 946 C ARG A 64 -3.133 2.158 -12.434 1.00 0.00 C ATOM 947 O ARG A 64 -2.127 1.965 -13.115 1.00 0.00 O ATOM 948 CB ARG A 64 -2.293 1.915 -10.098 1.00 0.00 C ATOM 949 CG ARG A 64 -1.509 2.719 -9.060 1.00 0.00 C ATOM 950 CD ARG A 64 -0.012 2.708 -9.374 1.00 0.00 C ATOM 951 NE ARG A 64 0.419 4.046 -9.837 1.00 0.00 N ATOM 952 CZ ARG A 64 0.275 4.488 -11.094 1.00 0.00 C ATOM 953 NH1 ARG A 64 -0.286 3.700 -12.021 1.00 0.00 N ATOM 954 NH2 ARG A 64 0.695 5.717 -11.424 1.00 0.00 N ATOM 0 H ARG A 64 -4.824 2.425 -10.076 1.00 0.00 H new ATOM 0 HA ARG A 64 -2.464 3.770 -11.166 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -3.011 1.267 -9.595 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -1.613 1.268 -10.652 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -1.872 3.746 -9.040 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -1.679 2.302 -8.067 1.00 0.00 H new ATOM 0 HD2 ARG A 64 0.552 2.423 -8.486 1.00 0.00 H new ATOM 0 HD3 ARG A 64 0.202 1.963 -10.140 1.00 0.00 H new ATOM 0 HE ARG A 64 0.853 4.671 -9.157 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -0.604 2.764 -11.770 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -0.396 4.036 -12.978 1.00 0.00 H new ATOM 0 HH21 ARG A 64 1.124 6.316 -10.719 1.00 0.00 H new ATOM 0 HH22 ARG A 64 0.586 6.054 -12.381 1.00 0.00 H new ATOM 965 N PHE A 65 -4.361 1.812 -12.793 1.00 0.00 N ATOM 966 CA PHE A 65 -4.611 1.154 -14.064 1.00 0.00 C ATOM 967 C PHE A 65 -6.002 1.504 -14.598 1.00 0.00 C ATOM 968 O PHE A 65 -6.238 1.457 -15.803 1.00 0.00 O ATOM 969 CB PHE A 65 -4.540 -0.353 -13.810 1.00 0.00 C ATOM 970 CG PHE A 65 -5.887 -0.990 -13.467 1.00 0.00 C ATOM 971 CD1 PHE A 65 -6.601 -0.539 -12.400 1.00 0.00 C ATOM 972 CD2 PHE A 65 -6.373 -2.008 -14.227 1.00 0.00 C ATOM 973 CE1 PHE A 65 -7.852 -1.131 -12.081 1.00 0.00 C ATOM 974 CE2 PHE A 65 -7.623 -2.600 -13.908 1.00 0.00 C ATOM 975 CZ PHE A 65 -8.336 -2.149 -12.842 1.00 0.00 C ATOM 0 H PHE A 65 -5.193 1.975 -12.226 1.00 0.00 H new ATOM 0 HA PHE A 65 -3.876 1.477 -14.801 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -4.134 -0.842 -14.696 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -3.842 -0.541 -12.994 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -6.216 0.269 -11.796 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -5.807 -2.366 -15.074 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -8.419 -0.773 -11.234 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -8.008 -3.409 -14.512 1.00 0.00 H new ATOM 0 HZ PHE A 65 -9.287 -2.599 -12.599 1.00 0.00 H new