USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 523 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -156:sc= -0.274 (180deg=-1.21) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 11 MET CE :methyl -163:sc= -0.0213 (180deg=-0.311) USER MOD Single : A 12 MET CE :methyl -164:sc= 0 (180deg=-0.153) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.0833 USER MOD Single : A 26 ASN : amide:sc= -1.48 K(o=-1.5,f=-0.2) USER MOD Single : A 28 TYR OH : rot 165:sc= 0.064 USER MOD Single : A 30 SER OG : rot 180:sc= -0.238 USER MOD Single : A 32 ASN : amide:sc= -0.101 X(o=-0.1,f=-0.1) USER MOD Single : A 35 ASN : amide:sc= -0.935 K(o=-0.93,f=-8!) USER MOD Single : A 39 LYS NZ :NH3+ -143:sc= -0.391 (180deg=-1.94!) USER MOD Single : A 42 CYS SG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc=-0.00126 USER MOD Single : A 54 THR OG1 : rot 69:sc= 0.457 USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 58 MET CE :methyl -165:sc= -0.0137 (180deg=-0.62) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.00512 USER MOD Single : A 65 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 70 SER OG : rot 180:sc= -0.6 USER MOD Single : A 76 LYS NZ :NH3+ 164:sc= -0.1 (180deg=-0.453) USER MOD Single : A 79 HIS : no HE2:sc= -0.776 K(o=-0.78,f=-1.4) USER MOD Single : A 82 LYS NZ :NH3+ 156:sc= -0.12 (180deg=-0.668) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -14.474 4.357 0.549 1.00 0.00 N ATOM 2 CA MET A 1 -15.183 5.355 -0.242 1.00 0.00 C ATOM 3 C MET A 1 -15.226 4.952 -1.713 1.00 0.00 C ATOM 4 O MET A 1 -16.129 5.350 -2.449 1.00 0.00 O ATOM 5 CB MET A 1 -14.512 6.723 -0.096 1.00 0.00 C ATOM 6 CG MET A 1 -14.477 7.231 1.336 1.00 0.00 C ATOM 7 SD MET A 1 -15.974 8.129 1.791 1.00 0.00 S ATOM 8 CE MET A 1 -15.416 8.996 3.256 1.00 0.00 C ATOM 0 H1 MET A 1 -14.787 4.412 1.539 1.00 0.00 H new ATOM 0 H2 MET A 1 -14.677 3.408 0.174 1.00 0.00 H new ATOM 0 H3 MET A 1 -13.451 4.537 0.499 1.00 0.00 H new ATOM 0 HA MET A 1 -16.206 5.418 0.130 1.00 0.00 H new ATOM 0 HB2 MET A 1 -13.492 6.661 -0.476 1.00 0.00 H new ATOM 0 HB3 MET A 1 -15.041 7.446 -0.717 1.00 0.00 H new ATOM 0 HG2 MET A 1 -14.344 6.388 2.014 1.00 0.00 H new ATOM 0 HG3 MET A 1 -13.613 7.883 1.465 1.00 0.00 H new ATOM 0 HE1 MET A 1 -16.232 9.597 3.656 1.00 0.00 H new ATOM 0 HE2 MET A 1 -15.096 8.273 4.007 1.00 0.00 H new ATOM 0 HE3 MET A 1 -14.580 9.646 2.998 1.00 0.00 H new ATOM 16 N ALA A 2 -14.243 4.162 -2.135 1.00 0.00 N ATOM 17 CA ALA A 2 -14.171 3.705 -3.517 1.00 0.00 C ATOM 18 C ALA A 2 -14.494 2.219 -3.621 1.00 0.00 C ATOM 19 O ALA A 2 -14.826 1.575 -2.626 1.00 0.00 O ATOM 20 CB ALA A 2 -12.793 3.989 -4.095 1.00 0.00 C ATOM 0 H ALA A 2 -13.486 3.826 -1.539 1.00 0.00 H new ATOM 0 HA ALA A 2 -14.915 4.253 -4.094 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -12.753 3.643 -5.128 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -12.599 5.061 -4.064 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -12.037 3.467 -3.508 1.00 0.00 H new ATOM 26 N ARG A 3 -14.395 1.679 -4.832 1.00 0.00 N ATOM 27 CA ARG A 3 -14.678 0.269 -5.066 1.00 0.00 C ATOM 28 C ARG A 3 -13.543 -0.608 -4.544 1.00 0.00 C ATOM 29 O ARG A 3 -13.678 -1.271 -3.517 1.00 0.00 O ATOM 30 CB ARG A 3 -14.894 0.010 -6.557 1.00 0.00 C ATOM 31 CG ARG A 3 -16.106 0.725 -7.131 1.00 0.00 C ATOM 32 CD ARG A 3 -16.784 -0.106 -8.210 1.00 0.00 C ATOM 33 NE ARG A 3 -17.467 -1.272 -7.655 1.00 0.00 N ATOM 34 CZ ARG A 3 -18.592 -1.200 -6.954 1.00 0.00 C ATOM 35 NH1 ARG A 3 -19.160 -0.023 -6.724 1.00 0.00 N ATOM 36 NH2 ARG A 3 -19.154 -2.305 -6.482 1.00 0.00 N ATOM 0 H ARG A 3 -14.121 2.198 -5.666 1.00 0.00 H new ATOM 0 HA ARG A 3 -15.589 0.013 -4.525 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -14.005 0.324 -7.104 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -15.005 -1.062 -6.718 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -16.817 0.936 -6.332 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -15.800 1.685 -7.548 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -17.503 0.514 -8.747 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -16.040 -0.433 -8.936 1.00 0.00 H new ATOM 0 HE ARG A 3 -17.057 -2.192 -7.815 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -18.732 0.829 -7.086 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -20.024 0.030 -6.185 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -18.722 -3.212 -6.657 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -20.018 -2.248 -5.944 1.00 0.00 H new ATOM 47 N GLY A 4 -12.424 -0.606 -5.263 1.00 0.00 N ATOM 48 CA GLY A 4 -11.282 -1.405 -4.858 1.00 0.00 C ATOM 49 C GLY A 4 -10.872 -2.409 -5.917 1.00 0.00 C ATOM 50 O GLY A 4 -11.508 -2.509 -6.967 1.00 0.00 O ATOM 0 H GLY A 4 -12.288 -0.066 -6.118 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -10.441 -0.747 -4.641 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -11.521 -1.933 -3.935 1.00 0.00 H new ATOM 54 N SER A 5 -9.805 -3.153 -5.644 1.00 0.00 N ATOM 55 CA SER A 5 -9.307 -4.151 -6.584 1.00 0.00 C ATOM 56 C SER A 5 -9.181 -5.515 -5.913 1.00 0.00 C ATOM 57 O SER A 5 -9.722 -6.509 -6.395 1.00 0.00 O ATOM 58 CB SER A 5 -7.952 -3.719 -7.147 1.00 0.00 C ATOM 59 OG SER A 5 -7.840 -4.054 -8.520 1.00 0.00 O ATOM 0 H SER A 5 -9.268 -3.084 -4.779 1.00 0.00 H new ATOM 0 HA SER A 5 -10.023 -4.234 -7.402 1.00 0.00 H new ATOM 0 HB2 SER A 5 -7.828 -2.643 -7.021 1.00 0.00 H new ATOM 0 HB3 SER A 5 -7.151 -4.200 -6.585 1.00 0.00 H new ATOM 0 HG SER A 5 -6.966 -3.766 -8.857 1.00 0.00 H new ATOM 64 N VAL A 6 -8.462 -5.552 -4.795 1.00 0.00 N ATOM 65 CA VAL A 6 -8.265 -6.793 -4.055 1.00 0.00 C ATOM 66 C VAL A 6 -9.597 -7.460 -3.734 1.00 0.00 C ATOM 67 O VAL A 6 -10.594 -6.786 -3.474 1.00 0.00 O ATOM 68 CB VAL A 6 -7.496 -6.547 -2.743 1.00 0.00 C ATOM 69 CG1 VAL A 6 -6.018 -6.327 -3.022 1.00 0.00 C ATOM 70 CG2 VAL A 6 -8.088 -5.363 -1.993 1.00 0.00 C ATOM 0 H VAL A 6 -8.007 -4.738 -4.382 1.00 0.00 H new ATOM 0 HA VAL A 6 -7.678 -7.453 -4.694 1.00 0.00 H new ATOM 0 HB VAL A 6 -7.593 -7.432 -2.114 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -5.492 -6.155 -2.083 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -5.605 -7.208 -3.513 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -5.895 -5.460 -3.671 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -7.533 -5.203 -1.069 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -8.023 -4.470 -2.614 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -9.133 -5.567 -1.758 1.00 0.00 H new ATOM 80 N SER A 7 -9.608 -8.789 -3.754 1.00 0.00 N ATOM 81 CA SER A 7 -10.819 -9.549 -3.468 1.00 0.00 C ATOM 82 C SER A 7 -11.319 -9.263 -2.055 1.00 0.00 C ATOM 83 O SER A 7 -10.680 -8.535 -1.295 1.00 0.00 O ATOM 84 CB SER A 7 -10.560 -11.047 -3.637 1.00 0.00 C ATOM 85 OG SER A 7 -11.537 -11.642 -4.474 1.00 0.00 O ATOM 0 H SER A 7 -8.791 -9.362 -3.965 1.00 0.00 H new ATOM 0 HA SER A 7 -11.588 -9.240 -4.176 1.00 0.00 H new ATOM 0 HB2 SER A 7 -9.569 -11.202 -4.063 1.00 0.00 H new ATOM 0 HB3 SER A 7 -10.568 -11.533 -2.661 1.00 0.00 H new ATOM 0 HG SER A 7 -11.348 -12.599 -4.568 1.00 0.00 H new ATOM 90 N ASP A 8 -12.463 -9.843 -1.710 1.00 0.00 N ATOM 91 CA ASP A 8 -13.049 -9.654 -0.389 1.00 0.00 C ATOM 92 C ASP A 8 -12.089 -10.118 0.702 1.00 0.00 C ATOM 93 O ASP A 8 -11.871 -9.416 1.690 1.00 0.00 O ATOM 94 CB ASP A 8 -14.372 -10.413 -0.279 1.00 0.00 C ATOM 95 CG ASP A 8 -15.576 -9.505 -0.430 1.00 0.00 C ATOM 96 OD1 ASP A 8 -16.482 -9.848 -1.217 1.00 0.00 O ATOM 97 OD2 ASP A 8 -15.611 -8.452 0.240 1.00 0.00 O ATOM 0 H ASP A 8 -13.003 -10.449 -2.328 1.00 0.00 H new ATOM 0 HA ASP A 8 -13.239 -8.589 -0.252 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -14.407 -11.188 -1.045 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -14.419 -10.916 0.687 1.00 0.00 H new ATOM 101 N GLU A 9 -11.519 -11.304 0.517 1.00 0.00 N ATOM 102 CA GLU A 9 -10.585 -11.863 1.488 1.00 0.00 C ATOM 103 C GLU A 9 -9.452 -10.882 1.777 1.00 0.00 C ATOM 104 O GLU A 9 -9.253 -10.468 2.919 1.00 0.00 O ATOM 105 CB GLU A 9 -10.011 -13.186 0.974 1.00 0.00 C ATOM 106 CG GLU A 9 -8.662 -13.538 1.576 1.00 0.00 C ATOM 107 CD GLU A 9 -8.717 -13.689 3.084 1.00 0.00 C ATOM 108 OE1 GLU A 9 -9.787 -14.071 3.602 1.00 0.00 O ATOM 109 OE2 GLU A 9 -7.691 -13.423 3.745 1.00 0.00 O ATOM 0 H GLU A 9 -11.687 -11.897 -0.296 1.00 0.00 H new ATOM 0 HA GLU A 9 -11.129 -12.048 2.414 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -10.717 -13.988 1.192 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -9.913 -13.133 -0.110 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -8.303 -14.468 1.134 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -7.940 -12.763 1.318 1.00 0.00 H new ATOM 114 N GLU A 10 -8.711 -10.518 0.735 1.00 0.00 N ATOM 115 CA GLU A 10 -7.598 -9.588 0.878 1.00 0.00 C ATOM 116 C GLU A 10 -8.082 -8.230 1.379 1.00 0.00 C ATOM 117 O GLU A 10 -7.684 -7.774 2.450 1.00 0.00 O ATOM 118 CB GLU A 10 -6.869 -9.421 -0.457 1.00 0.00 C ATOM 119 CG GLU A 10 -5.567 -10.199 -0.542 1.00 0.00 C ATOM 120 CD GLU A 10 -5.709 -11.628 -0.058 1.00 0.00 C ATOM 121 OE1 GLU A 10 -6.514 -12.377 -0.649 1.00 0.00 O ATOM 122 OE2 GLU A 10 -5.017 -11.998 0.913 1.00 0.00 O ATOM 0 H GLU A 10 -8.862 -10.853 -0.217 1.00 0.00 H new ATOM 0 HA GLU A 10 -6.907 -10.001 1.613 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -7.528 -9.743 -1.264 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -6.661 -8.363 -0.618 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -5.217 -10.202 -1.574 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -4.806 -9.692 0.051 1.00 0.00 H new ATOM 127 N MET A 11 -8.945 -7.591 0.596 1.00 0.00 N ATOM 128 CA MET A 11 -9.485 -6.286 0.959 1.00 0.00 C ATOM 129 C MET A 11 -9.749 -6.207 2.460 1.00 0.00 C ATOM 130 O MET A 11 -9.456 -5.197 3.098 1.00 0.00 O ATOM 131 CB MET A 11 -10.776 -6.011 0.186 1.00 0.00 C ATOM 132 CG MET A 11 -11.260 -4.574 0.302 1.00 0.00 C ATOM 133 SD MET A 11 -9.969 -3.375 -0.079 1.00 0.00 S ATOM 134 CE MET A 11 -10.888 -2.185 -1.052 1.00 0.00 C ATOM 0 H MET A 11 -9.285 -7.956 -0.294 1.00 0.00 H new ATOM 0 HA MET A 11 -8.746 -5.528 0.697 1.00 0.00 H new ATOM 0 HB2 MET A 11 -10.617 -6.248 -0.866 1.00 0.00 H new ATOM 0 HB3 MET A 11 -11.557 -6.679 0.549 1.00 0.00 H new ATOM 0 HG2 MET A 11 -12.102 -4.423 -0.373 1.00 0.00 H new ATOM 0 HG3 MET A 11 -11.627 -4.399 1.313 1.00 0.00 H new ATOM 0 HE1 MET A 11 -10.193 -1.556 -1.608 1.00 0.00 H new ATOM 0 HE2 MET A 11 -11.540 -2.711 -1.750 1.00 0.00 H new ATOM 0 HE3 MET A 11 -11.491 -1.563 -0.391 1.00 0.00 H new ATOM 142 N MET A 12 -10.305 -7.278 3.015 1.00 0.00 N ATOM 143 CA MET A 12 -10.609 -7.329 4.441 1.00 0.00 C ATOM 144 C MET A 12 -9.327 -7.360 5.269 1.00 0.00 C ATOM 145 O MET A 12 -9.185 -6.612 6.235 1.00 0.00 O ATOM 146 CB MET A 12 -11.465 -8.556 4.759 1.00 0.00 C ATOM 147 CG MET A 12 -11.963 -8.594 6.195 1.00 0.00 C ATOM 148 SD MET A 12 -13.212 -7.337 6.529 1.00 0.00 S ATOM 149 CE MET A 12 -12.681 -6.752 8.138 1.00 0.00 C ATOM 0 H MET A 12 -10.554 -8.122 2.500 1.00 0.00 H new ATOM 0 HA MET A 12 -11.167 -6.429 4.700 1.00 0.00 H new ATOM 0 HB2 MET A 12 -12.322 -8.576 4.085 1.00 0.00 H new ATOM 0 HB3 MET A 12 -10.883 -9.456 4.561 1.00 0.00 H new ATOM 0 HG2 MET A 12 -12.379 -9.579 6.405 1.00 0.00 H new ATOM 0 HG3 MET A 12 -11.120 -8.453 6.872 1.00 0.00 H new ATOM 0 HE1 MET A 12 -13.489 -6.189 8.605 1.00 0.00 H new ATOM 0 HE2 MET A 12 -12.421 -7.603 8.767 1.00 0.00 H new ATOM 0 HE3 MET A 12 -11.810 -6.107 8.021 1.00 0.00 H new ATOM 157 N GLU A 13 -8.400 -8.229 4.882 1.00 0.00 N ATOM 158 CA GLU A 13 -7.131 -8.356 5.589 1.00 0.00 C ATOM 159 C GLU A 13 -6.273 -7.109 5.398 1.00 0.00 C ATOM 160 O GLU A 13 -5.909 -6.438 6.364 1.00 0.00 O ATOM 161 CB GLU A 13 -6.371 -9.592 5.102 1.00 0.00 C ATOM 162 CG GLU A 13 -6.601 -10.825 5.957 1.00 0.00 C ATOM 163 CD GLU A 13 -5.561 -10.978 7.052 1.00 0.00 C ATOM 164 OE1 GLU A 13 -5.915 -10.791 8.235 1.00 0.00 O ATOM 165 OE2 GLU A 13 -4.396 -11.284 6.725 1.00 0.00 O ATOM 0 H GLU A 13 -8.503 -8.855 4.084 1.00 0.00 H new ATOM 0 HA GLU A 13 -7.347 -8.467 6.652 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -6.669 -9.811 4.077 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -5.304 -9.368 5.083 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -7.592 -10.771 6.407 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -6.588 -11.711 5.322 1.00 0.00 H new ATOM 170 N LEU A 14 -5.953 -6.806 4.145 1.00 0.00 N ATOM 171 CA LEU A 14 -5.137 -5.639 3.825 1.00 0.00 C ATOM 172 C LEU A 14 -5.643 -4.402 4.560 1.00 0.00 C ATOM 173 O LEU A 14 -4.863 -3.655 5.150 1.00 0.00 O ATOM 174 CB LEU A 14 -5.142 -5.387 2.317 1.00 0.00 C ATOM 175 CG LEU A 14 -5.101 -6.632 1.429 1.00 0.00 C ATOM 176 CD1 LEU A 14 -4.878 -6.242 -0.025 1.00 0.00 C ATOM 177 CD2 LEU A 14 -4.013 -7.586 1.899 1.00 0.00 C ATOM 0 H LEU A 14 -6.246 -7.351 3.334 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.116 -5.840 4.151 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -6.036 -4.816 2.067 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.285 -4.761 2.070 1.00 0.00 H new ATOM 0 HG LEU A 14 -6.061 -7.142 1.505 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -4.852 -7.140 -0.643 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -5.691 -5.597 -0.357 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.931 -5.710 -0.118 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.998 -8.466 1.256 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -3.046 -7.086 1.852 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -4.215 -7.890 2.926 1.00 0.00 H new ATOM 188 N ARG A 15 -6.955 -4.193 4.521 1.00 0.00 N ATOM 189 CA ARG A 15 -7.566 -3.047 5.185 1.00 0.00 C ATOM 190 C ARG A 15 -7.335 -3.104 6.691 1.00 0.00 C ATOM 191 O ARG A 15 -6.964 -2.107 7.309 1.00 0.00 O ATOM 192 CB ARG A 15 -9.067 -3.000 4.889 1.00 0.00 C ATOM 193 CG ARG A 15 -9.825 -1.997 5.742 1.00 0.00 C ATOM 194 CD ARG A 15 -10.687 -1.079 4.890 1.00 0.00 C ATOM 195 NE ARG A 15 -10.411 0.331 5.153 1.00 0.00 N ATOM 196 CZ ARG A 15 -11.200 1.321 4.751 1.00 0.00 C ATOM 197 NH1 ARG A 15 -12.308 1.057 4.072 1.00 0.00 N ATOM 198 NH2 ARG A 15 -10.882 2.579 5.028 1.00 0.00 N ATOM 0 H ARG A 15 -7.615 -4.802 4.037 1.00 0.00 H new ATOM 0 HA ARG A 15 -7.098 -2.142 4.798 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -9.214 -2.754 3.837 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -9.491 -3.992 5.046 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -10.454 -2.528 6.457 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -9.118 -1.401 6.320 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -10.511 -1.292 3.836 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -11.739 -1.285 5.086 1.00 0.00 H new ATOM 0 HE ARG A 15 -9.567 0.568 5.674 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -12.557 0.091 3.857 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -12.912 1.820 3.765 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -10.031 2.787 5.550 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -11.489 3.338 4.719 1.00 0.00 H new ATOM 209 N GLU A 16 -7.559 -4.277 7.275 1.00 0.00 N ATOM 210 CA GLU A 16 -7.376 -4.463 8.710 1.00 0.00 C ATOM 211 C GLU A 16 -6.009 -3.951 9.155 1.00 0.00 C ATOM 212 O GLU A 16 -5.912 -3.079 10.018 1.00 0.00 O ATOM 213 CB GLU A 16 -7.523 -5.941 9.078 1.00 0.00 C ATOM 214 CG GLU A 16 -8.877 -6.287 9.676 1.00 0.00 C ATOM 215 CD GLU A 16 -8.930 -7.702 10.220 1.00 0.00 C ATOM 216 OE1 GLU A 16 -8.077 -8.522 9.820 1.00 0.00 O ATOM 217 OE2 GLU A 16 -9.824 -7.988 11.043 1.00 0.00 O ATOM 0 H GLU A 16 -7.867 -5.112 6.777 1.00 0.00 H new ATOM 0 HA GLU A 16 -8.146 -3.889 9.226 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -7.364 -6.547 8.186 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -6.742 -6.209 9.789 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -9.106 -5.585 10.477 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -9.648 -6.165 8.915 1.00 0.00 H new ATOM 222 N ALA A 17 -4.955 -4.500 8.560 1.00 0.00 N ATOM 223 CA ALA A 17 -3.594 -4.098 8.894 1.00 0.00 C ATOM 224 C ALA A 17 -3.371 -2.619 8.598 1.00 0.00 C ATOM 225 O ALA A 17 -2.944 -1.860 9.467 1.00 0.00 O ATOM 226 CB ALA A 17 -2.591 -4.949 8.129 1.00 0.00 C ATOM 0 H ALA A 17 -5.017 -5.224 7.844 1.00 0.00 H new ATOM 0 HA ALA A 17 -3.446 -4.254 9.963 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -1.579 -4.639 8.387 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -2.728 -5.998 8.393 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -2.747 -4.821 7.058 1.00 0.00 H new ATOM 232 N PHE A 18 -3.661 -2.216 7.365 1.00 0.00 N ATOM 233 CA PHE A 18 -3.490 -0.827 6.955 1.00 0.00 C ATOM 234 C PHE A 18 -3.950 0.126 8.055 1.00 0.00 C ATOM 235 O PHE A 18 -3.182 0.966 8.523 1.00 0.00 O ATOM 236 CB PHE A 18 -4.272 -0.554 5.669 1.00 0.00 C ATOM 237 CG PHE A 18 -4.205 0.878 5.219 1.00 0.00 C ATOM 238 CD1 PHE A 18 -3.317 1.266 4.228 1.00 0.00 C ATOM 239 CD2 PHE A 18 -5.029 1.836 5.787 1.00 0.00 C ATOM 240 CE1 PHE A 18 -3.252 2.583 3.812 1.00 0.00 C ATOM 241 CE2 PHE A 18 -4.970 3.154 5.375 1.00 0.00 C ATOM 242 CZ PHE A 18 -4.079 3.527 4.387 1.00 0.00 C ATOM 0 H PHE A 18 -4.015 -2.831 6.633 1.00 0.00 H new ATOM 0 HA PHE A 18 -2.429 -0.656 6.771 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -3.886 -1.194 4.876 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -5.315 -0.830 5.822 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -2.668 0.531 3.775 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -5.726 1.550 6.561 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -2.556 2.873 3.039 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -5.619 3.891 5.824 1.00 0.00 H new ATOM 0 HZ PHE A 18 -4.030 4.557 4.065 1.00 0.00 H new ATOM 251 N ALA A 19 -5.208 -0.011 8.460 1.00 0.00 N ATOM 252 CA ALA A 19 -5.769 0.836 9.506 1.00 0.00 C ATOM 253 C ALA A 19 -4.865 0.865 10.734 1.00 0.00 C ATOM 254 O ALA A 19 -4.593 1.928 11.292 1.00 0.00 O ATOM 255 CB ALA A 19 -7.162 0.353 9.884 1.00 0.00 C ATOM 0 H ALA A 19 -5.858 -0.700 8.080 1.00 0.00 H new ATOM 0 HA ALA A 19 -5.841 1.852 9.118 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -7.570 0.994 10.666 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -7.810 0.391 9.009 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -7.105 -0.673 10.249 1.00 0.00 H new ATOM 261 N LYS A 20 -4.403 -0.309 11.150 1.00 0.00 N ATOM 262 CA LYS A 20 -3.529 -0.419 12.312 1.00 0.00 C ATOM 263 C LYS A 20 -2.290 0.456 12.146 1.00 0.00 C ATOM 264 O LYS A 20 -1.717 0.931 13.126 1.00 0.00 O ATOM 265 CB LYS A 20 -3.112 -1.875 12.526 1.00 0.00 C ATOM 266 CG LYS A 20 -4.274 -2.852 12.492 1.00 0.00 C ATOM 267 CD LYS A 20 -4.274 -3.762 13.708 1.00 0.00 C ATOM 268 CE LYS A 20 -2.930 -4.451 13.889 1.00 0.00 C ATOM 269 NZ LYS A 20 -2.964 -5.452 14.991 1.00 0.00 N ATOM 0 H LYS A 20 -4.619 -1.198 10.700 1.00 0.00 H new ATOM 0 HA LYS A 20 -4.082 -0.073 13.185 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -2.391 -2.154 11.758 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -2.604 -1.961 13.486 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -5.213 -2.300 12.450 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -4.217 -3.455 11.586 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -4.509 -3.180 14.599 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -5.057 -4.512 13.602 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.646 -4.944 12.959 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -2.165 -3.704 14.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -2.030 -5.899 15.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -3.210 -4.978 15.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -3.677 -6.179 14.778 1.00 0.00 H new ATOM 279 N VAL A 21 -1.882 0.666 10.897 1.00 0.00 N ATOM 280 CA VAL A 21 -0.713 1.487 10.603 1.00 0.00 C ATOM 281 C VAL A 21 -1.120 2.824 9.994 1.00 0.00 C ATOM 282 O VAL A 21 -0.271 3.613 9.582 1.00 0.00 O ATOM 283 CB VAL A 21 0.248 0.767 9.640 1.00 0.00 C ATOM 284 CG1 VAL A 21 1.571 0.467 10.329 1.00 0.00 C ATOM 285 CG2 VAL A 21 -0.387 -0.509 9.108 1.00 0.00 C ATOM 0 H VAL A 21 -2.344 0.279 10.074 1.00 0.00 H new ATOM 0 HA VAL A 21 -0.202 1.664 11.550 1.00 0.00 H new ATOM 0 HB VAL A 21 0.448 1.426 8.795 1.00 0.00 H new ATOM 0 HG11 VAL A 21 2.237 -0.042 9.632 1.00 0.00 H new ATOM 0 HG12 VAL A 21 2.031 1.400 10.655 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.394 -0.172 11.194 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.307 -1.005 8.429 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.618 -1.174 9.940 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -1.305 -0.263 8.574 1.00 0.00 H new ATOM 295 N ASP A 22 -2.424 3.072 9.942 1.00 0.00 N ATOM 296 CA ASP A 22 -2.944 4.316 9.385 1.00 0.00 C ATOM 297 C ASP A 22 -3.435 5.243 10.492 1.00 0.00 C ATOM 298 O ASP A 22 -4.552 5.758 10.436 1.00 0.00 O ATOM 299 CB ASP A 22 -4.081 4.024 8.405 1.00 0.00 C ATOM 300 CG ASP A 22 -4.574 5.272 7.700 1.00 0.00 C ATOM 301 OD1 ASP A 22 -3.730 6.108 7.315 1.00 0.00 O ATOM 302 OD2 ASP A 22 -5.803 5.413 7.533 1.00 0.00 O ATOM 0 H ASP A 22 -3.140 2.429 10.279 1.00 0.00 H new ATOM 0 HA ASP A 22 -2.134 4.814 8.852 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -3.740 3.302 7.663 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -4.910 3.562 8.942 1.00 0.00 H new ATOM 306 N THR A 23 -2.593 5.453 11.499 1.00 0.00 N ATOM 307 CA THR A 23 -2.942 6.315 12.620 1.00 0.00 C ATOM 308 C THR A 23 -2.706 7.782 12.278 1.00 0.00 C ATOM 309 O THR A 23 -2.818 8.656 13.138 1.00 0.00 O ATOM 310 CB THR A 23 -2.129 5.957 13.879 1.00 0.00 C ATOM 311 OG1 THR A 23 -0.914 5.298 13.507 1.00 0.00 O ATOM 312 CG2 THR A 23 -2.936 5.061 14.807 1.00 0.00 C ATOM 0 H THR A 23 -1.664 5.037 11.561 1.00 0.00 H new ATOM 0 HA THR A 23 -4.001 6.156 12.823 1.00 0.00 H new ATOM 0 HB THR A 23 -1.892 6.881 14.407 1.00 0.00 H new ATOM 0 HG1 THR A 23 -0.403 5.076 14.313 1.00 0.00 H new ATOM 0 HG21 THR A 23 -2.342 4.821 15.689 1.00 0.00 H new ATOM 0 HG22 THR A 23 -3.846 5.578 15.112 1.00 0.00 H new ATOM 0 HG23 THR A 23 -3.199 4.141 14.286 1.00 0.00 H new ATOM 320 N ASP A 24 -2.383 8.046 11.017 1.00 0.00 N ATOM 321 CA ASP A 24 -2.135 9.409 10.560 1.00 0.00 C ATOM 322 C ASP A 24 -3.377 10.278 10.740 1.00 0.00 C ATOM 323 O ASP A 24 -3.297 11.505 10.708 1.00 0.00 O ATOM 324 CB ASP A 24 -1.706 9.407 9.092 1.00 0.00 C ATOM 325 CG ASP A 24 -0.423 8.634 8.864 1.00 0.00 C ATOM 326 OD1 ASP A 24 0.065 8.619 7.714 1.00 0.00 O ATOM 327 OD2 ASP A 24 0.094 8.044 9.835 1.00 0.00 O ATOM 0 H ASP A 24 -2.287 7.334 10.293 1.00 0.00 H new ATOM 0 HA ASP A 24 -1.331 9.828 11.165 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -2.501 8.973 8.485 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -1.572 10.435 8.754 1.00 0.00 H new ATOM 331 N GLY A 25 -4.522 9.630 10.929 1.00 0.00 N ATOM 332 CA GLY A 25 -5.764 10.359 11.109 1.00 0.00 C ATOM 333 C GLY A 25 -6.190 11.100 9.857 1.00 0.00 C ATOM 334 O GLY A 25 -7.094 11.934 9.898 1.00 0.00 O ATOM 0 H GLY A 25 -4.612 8.614 10.961 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -6.551 9.663 11.401 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -5.648 11.071 11.927 1.00 0.00 H new ATOM 338 N ASN A 26 -5.534 10.796 8.741 1.00 0.00 N ATOM 339 CA ASN A 26 -5.848 11.442 7.471 1.00 0.00 C ATOM 340 C ASN A 26 -6.439 10.440 6.483 1.00 0.00 C ATOM 341 O ASN A 26 -7.058 10.821 5.492 1.00 0.00 O ATOM 342 CB ASN A 26 -4.593 12.082 6.877 1.00 0.00 C ATOM 343 CG ASN A 26 -3.837 12.920 7.890 1.00 0.00 C ATOM 344 OD1 ASN A 26 -4.370 13.889 8.432 1.00 0.00 O ATOM 345 ND2 ASN A 26 -2.588 12.552 8.148 1.00 0.00 N ATOM 0 H ASN A 26 -4.783 10.108 8.690 1.00 0.00 H new ATOM 0 HA ASN A 26 -6.589 12.219 7.660 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -3.937 11.301 6.494 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -4.874 12.707 6.029 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -2.029 13.079 8.819 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -2.187 11.742 7.675 1.00 0.00 H new ATOM 351 N GLY A 27 -6.240 9.154 6.762 1.00 0.00 N ATOM 352 CA GLY A 27 -6.758 8.117 5.889 1.00 0.00 C ATOM 353 C GLY A 27 -5.662 7.400 5.128 1.00 0.00 C ATOM 354 O GLY A 27 -5.868 6.296 4.623 1.00 0.00 O ATOM 0 H GLY A 27 -5.730 8.813 7.577 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -7.318 7.393 6.482 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -7.459 8.559 5.181 1.00 0.00 H new ATOM 358 N TYR A 28 -4.494 8.028 5.042 1.00 0.00 N ATOM 359 CA TYR A 28 -3.363 7.444 4.332 1.00 0.00 C ATOM 360 C TYR A 28 -2.186 7.216 5.276 1.00 0.00 C ATOM 361 O TYR A 28 -1.968 7.989 6.210 1.00 0.00 O ATOM 362 CB TYR A 28 -2.936 8.351 3.176 1.00 0.00 C ATOM 363 CG TYR A 28 -2.995 9.824 3.509 1.00 0.00 C ATOM 364 CD1 TYR A 28 -3.940 10.653 2.917 1.00 0.00 C ATOM 365 CD2 TYR A 28 -2.105 10.388 4.415 1.00 0.00 C ATOM 366 CE1 TYR A 28 -3.996 12.000 3.218 1.00 0.00 C ATOM 367 CE2 TYR A 28 -2.155 11.734 4.722 1.00 0.00 C ATOM 368 CZ TYR A 28 -3.102 12.536 4.121 1.00 0.00 C ATOM 369 OH TYR A 28 -3.155 13.877 4.424 1.00 0.00 O ATOM 0 H TYR A 28 -4.306 8.941 5.455 1.00 0.00 H new ATOM 0 HA TYR A 28 -3.676 6.480 3.932 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -1.919 8.094 2.881 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -3.577 8.156 2.316 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -4.642 10.237 2.210 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -1.361 9.763 4.887 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -4.736 12.630 2.748 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -1.456 12.156 5.429 1.00 0.00 H new ATOM 0 HH TYR A 28 -2.634 14.050 5.236 1.00 0.00 H new ATOM 378 N ILE A 29 -1.432 6.152 5.025 1.00 0.00 N ATOM 379 CA ILE A 29 -0.277 5.823 5.850 1.00 0.00 C ATOM 380 C ILE A 29 1.006 6.393 5.254 1.00 0.00 C ATOM 381 O ILE A 29 0.990 6.990 4.177 1.00 0.00 O ATOM 382 CB ILE A 29 -0.119 4.301 6.017 1.00 0.00 C ATOM 383 CG1 ILE A 29 0.193 3.647 4.670 1.00 0.00 C ATOM 384 CG2 ILE A 29 -1.379 3.701 6.624 1.00 0.00 C ATOM 385 CD1 ILE A 29 0.271 2.138 4.733 1.00 0.00 C ATOM 0 H ILE A 29 -1.600 5.503 4.257 1.00 0.00 H new ATOM 0 HA ILE A 29 -0.451 6.272 6.828 1.00 0.00 H new ATOM 0 HB ILE A 29 0.714 4.110 6.694 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -0.574 3.933 3.950 1.00 0.00 H new ATOM 0 HG13 ILE A 29 1.141 4.036 4.297 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -1.252 2.624 6.736 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -1.561 4.148 7.601 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -2.228 3.900 5.970 1.00 0.00 H new ATOM 0 HD11 ILE A 29 0.495 1.744 3.742 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.058 1.843 5.428 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -0.684 1.738 5.075 1.00 0.00 H new ATOM 396 N SER A 30 2.116 6.205 5.960 1.00 0.00 N ATOM 397 CA SER A 30 3.408 6.701 5.502 1.00 0.00 C ATOM 398 C SER A 30 4.219 5.586 4.850 1.00 0.00 C ATOM 399 O SER A 30 3.901 4.406 4.995 1.00 0.00 O ATOM 400 CB SER A 30 4.191 7.302 6.671 1.00 0.00 C ATOM 401 OG SER A 30 5.491 7.696 6.265 1.00 0.00 O ATOM 0 H SER A 30 2.146 5.712 6.853 1.00 0.00 H new ATOM 0 HA SER A 30 3.228 7.477 4.758 1.00 0.00 H new ATOM 0 HB2 SER A 30 3.654 8.163 7.068 1.00 0.00 H new ATOM 0 HB3 SER A 30 4.264 6.572 7.477 1.00 0.00 H new ATOM 0 HG SER A 30 5.971 8.078 7.029 1.00 0.00 H new ATOM 406 N PHE A 31 5.269 5.968 4.131 1.00 0.00 N ATOM 407 CA PHE A 31 6.127 5.002 3.456 1.00 0.00 C ATOM 408 C PHE A 31 6.493 3.853 4.390 1.00 0.00 C ATOM 409 O PHE A 31 6.217 2.690 4.100 1.00 0.00 O ATOM 410 CB PHE A 31 7.398 5.684 2.946 1.00 0.00 C ATOM 411 CG PHE A 31 7.415 5.883 1.458 1.00 0.00 C ATOM 412 CD1 PHE A 31 6.578 6.811 0.859 1.00 0.00 C ATOM 413 CD2 PHE A 31 8.270 5.143 0.656 1.00 0.00 C ATOM 414 CE1 PHE A 31 6.591 6.997 -0.510 1.00 0.00 C ATOM 415 CE2 PHE A 31 8.289 5.325 -0.713 1.00 0.00 C ATOM 416 CZ PHE A 31 7.448 6.252 -1.298 1.00 0.00 C ATOM 0 H PHE A 31 5.546 6.941 4.001 1.00 0.00 H new ATOM 0 HA PHE A 31 5.576 4.596 2.608 1.00 0.00 H new ATOM 0 HB2 PHE A 31 7.503 6.652 3.435 1.00 0.00 H new ATOM 0 HB3 PHE A 31 8.262 5.086 3.235 1.00 0.00 H new ATOM 0 HD1 PHE A 31 5.907 7.396 1.470 1.00 0.00 H new ATOM 0 HD2 PHE A 31 8.929 4.416 1.107 1.00 0.00 H new ATOM 0 HE1 PHE A 31 5.933 7.723 -0.964 1.00 0.00 H new ATOM 0 HE2 PHE A 31 8.961 4.743 -1.326 1.00 0.00 H new ATOM 0 HZ PHE A 31 7.460 6.394 -2.369 1.00 0.00 H new ATOM 425 N ASN A 32 7.117 4.189 5.516 1.00 0.00 N ATOM 426 CA ASN A 32 7.522 3.186 6.493 1.00 0.00 C ATOM 427 C ASN A 32 6.339 2.315 6.902 1.00 0.00 C ATOM 428 O ASN A 32 6.448 1.091 6.964 1.00 0.00 O ATOM 429 CB ASN A 32 8.123 3.861 7.728 1.00 0.00 C ATOM 430 CG ASN A 32 9.167 4.901 7.368 1.00 0.00 C ATOM 431 OD1 ASN A 32 10.050 4.653 6.546 1.00 0.00 O ATOM 432 ND2 ASN A 32 9.071 6.074 7.983 1.00 0.00 N ATOM 0 H ASN A 32 7.352 5.148 5.773 1.00 0.00 H new ATOM 0 HA ASN A 32 8.276 2.549 6.031 1.00 0.00 H new ATOM 0 HB2 ASN A 32 7.327 4.333 8.304 1.00 0.00 H new ATOM 0 HB3 ASN A 32 8.574 3.104 8.369 1.00 0.00 H new ATOM 0 HD21 ASN A 32 9.745 6.812 7.781 1.00 0.00 H new ATOM 0 HD22 ASN A 32 8.323 6.237 8.657 1.00 0.00 H new ATOM 438 N GLU A 33 5.207 2.956 7.180 1.00 0.00 N ATOM 439 CA GLU A 33 4.003 2.239 7.584 1.00 0.00 C ATOM 440 C GLU A 33 3.564 1.260 6.498 1.00 0.00 C ATOM 441 O GLU A 33 3.126 0.147 6.791 1.00 0.00 O ATOM 442 CB GLU A 33 2.872 3.225 7.886 1.00 0.00 C ATOM 443 CG GLU A 33 3.251 4.294 8.895 1.00 0.00 C ATOM 444 CD GLU A 33 2.063 5.125 9.339 1.00 0.00 C ATOM 445 OE1 GLU A 33 1.222 5.464 8.481 1.00 0.00 O ATOM 446 OE2 GLU A 33 1.973 5.435 10.546 1.00 0.00 O ATOM 0 H GLU A 33 5.099 3.969 7.133 1.00 0.00 H new ATOM 0 HA GLU A 33 4.233 1.674 8.488 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.563 3.706 6.958 1.00 0.00 H new ATOM 0 HB3 GLU A 33 2.010 2.673 8.261 1.00 0.00 H new ATOM 0 HG2 GLU A 33 3.705 3.821 9.766 1.00 0.00 H new ATOM 0 HG3 GLU A 33 4.005 4.949 8.459 1.00 0.00 H new ATOM 451 N LEU A 34 3.681 1.684 5.245 1.00 0.00 N ATOM 452 CA LEU A 34 3.296 0.847 4.114 1.00 0.00 C ATOM 453 C LEU A 34 4.070 -0.467 4.122 1.00 0.00 C ATOM 454 O LEU A 34 3.486 -1.542 4.251 1.00 0.00 O ATOM 455 CB LEU A 34 3.540 1.588 2.799 1.00 0.00 C ATOM 456 CG LEU A 34 3.735 0.712 1.561 1.00 0.00 C ATOM 457 CD1 LEU A 34 2.488 -0.115 1.291 1.00 0.00 C ATOM 458 CD2 LEU A 34 4.082 1.568 0.351 1.00 0.00 C ATOM 0 H LEU A 34 4.040 2.603 4.986 1.00 0.00 H new ATOM 0 HA LEU A 34 2.233 0.622 4.205 1.00 0.00 H new ATOM 0 HB2 LEU A 34 2.696 2.254 2.619 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.423 2.216 2.918 1.00 0.00 H new ATOM 0 HG LEU A 34 4.565 0.030 1.749 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.645 -0.732 0.406 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.284 -0.756 2.149 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.640 0.549 1.124 1.00 0.00 H new ATOM 0 HD21 LEU A 34 4.217 0.928 -0.521 1.00 0.00 H new ATOM 0 HD22 LEU A 34 3.274 2.274 0.161 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.004 2.116 0.545 1.00 0.00 H new ATOM 469 N ASN A 35 5.389 -0.373 3.983 1.00 0.00 N ATOM 470 CA ASN A 35 6.243 -1.554 3.976 1.00 0.00 C ATOM 471 C ASN A 35 5.899 -2.482 5.137 1.00 0.00 C ATOM 472 O ASN A 35 5.743 -3.689 4.955 1.00 0.00 O ATOM 473 CB ASN A 35 7.716 -1.145 4.054 1.00 0.00 C ATOM 474 CG ASN A 35 8.514 -1.628 2.859 1.00 0.00 C ATOM 475 OD1 ASN A 35 8.186 -1.318 1.713 1.00 0.00 O ATOM 476 ND2 ASN A 35 9.569 -2.390 3.121 1.00 0.00 N ATOM 0 H ASN A 35 5.889 0.509 3.874 1.00 0.00 H new ATOM 0 HA ASN A 35 6.071 -2.090 3.043 1.00 0.00 H new ATOM 0 HB2 ASN A 35 7.786 -0.059 4.119 1.00 0.00 H new ATOM 0 HB3 ASN A 35 8.154 -1.548 4.967 1.00 0.00 H new ATOM 0 HD21 ASN A 35 10.145 -2.744 2.357 1.00 0.00 H new ATOM 0 HD22 ASN A 35 9.804 -2.622 4.086 1.00 0.00 H new ATOM 482 N ASP A 36 5.781 -1.909 6.330 1.00 0.00 N ATOM 483 CA ASP A 36 5.454 -2.683 7.521 1.00 0.00 C ATOM 484 C ASP A 36 4.079 -3.331 7.387 1.00 0.00 C ATOM 485 O ASP A 36 3.858 -4.448 7.856 1.00 0.00 O ATOM 486 CB ASP A 36 5.492 -1.791 8.762 1.00 0.00 C ATOM 487 CG ASP A 36 6.905 -1.402 9.152 1.00 0.00 C ATOM 488 OD1 ASP A 36 7.707 -1.093 8.245 1.00 0.00 O ATOM 489 OD2 ASP A 36 7.208 -1.404 10.363 1.00 0.00 O ATOM 0 H ASP A 36 5.907 -0.911 6.497 1.00 0.00 H new ATOM 0 HA ASP A 36 6.199 -3.471 7.627 1.00 0.00 H new ATOM 0 HB2 ASP A 36 4.908 -0.889 8.576 1.00 0.00 H new ATOM 0 HB3 ASP A 36 5.018 -2.311 9.595 1.00 0.00 H new ATOM 493 N LEU A 37 3.156 -2.622 6.746 1.00 0.00 N ATOM 494 CA LEU A 37 1.801 -3.127 6.551 1.00 0.00 C ATOM 495 C LEU A 37 1.795 -4.311 5.588 1.00 0.00 C ATOM 496 O LEU A 37 1.015 -5.250 5.749 1.00 0.00 O ATOM 497 CB LEU A 37 0.895 -2.017 6.018 1.00 0.00 C ATOM 498 CG LEU A 37 -0.222 -2.458 5.071 1.00 0.00 C ATOM 499 CD1 LEU A 37 -1.151 -3.443 5.762 1.00 0.00 C ATOM 500 CD2 LEU A 37 -1.001 -1.252 4.566 1.00 0.00 C ATOM 0 H LEU A 37 3.321 -1.696 6.352 1.00 0.00 H new ATOM 0 HA LEU A 37 1.422 -3.465 7.516 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.443 -1.505 6.868 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.516 -1.286 5.500 1.00 0.00 H new ATOM 0 HG LEU A 37 0.231 -2.957 4.215 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -1.939 -3.745 5.072 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.584 -4.321 6.073 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.596 -2.970 6.637 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -1.792 -1.585 3.894 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.442 -0.724 5.411 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.328 -0.582 4.031 1.00 0.00 H new ATOM 511 N PHE A 38 2.669 -4.259 4.589 1.00 0.00 N ATOM 512 CA PHE A 38 2.765 -5.327 3.602 1.00 0.00 C ATOM 513 C PHE A 38 3.187 -6.638 4.258 1.00 0.00 C ATOM 514 O PHE A 38 2.576 -7.684 4.034 1.00 0.00 O ATOM 515 CB PHE A 38 3.763 -4.948 2.505 1.00 0.00 C ATOM 516 CG PHE A 38 3.127 -4.750 1.158 1.00 0.00 C ATOM 517 CD1 PHE A 38 3.058 -5.793 0.249 1.00 0.00 C ATOM 518 CD2 PHE A 38 2.598 -3.520 0.802 1.00 0.00 C ATOM 519 CE1 PHE A 38 2.474 -5.614 -0.991 1.00 0.00 C ATOM 520 CE2 PHE A 38 2.011 -3.335 -0.435 1.00 0.00 C ATOM 521 CZ PHE A 38 1.951 -4.383 -1.333 1.00 0.00 C ATOM 0 H PHE A 38 3.321 -3.489 4.442 1.00 0.00 H new ATOM 0 HA PHE A 38 1.780 -5.465 3.156 1.00 0.00 H new ATOM 0 HB2 PHE A 38 4.277 -4.031 2.794 1.00 0.00 H new ATOM 0 HB3 PHE A 38 4.521 -5.728 2.429 1.00 0.00 H new ATOM 0 HD1 PHE A 38 3.465 -6.758 0.512 1.00 0.00 H new ATOM 0 HD2 PHE A 38 2.645 -2.697 1.499 1.00 0.00 H new ATOM 0 HE1 PHE A 38 2.427 -6.435 -1.691 1.00 0.00 H new ATOM 0 HE2 PHE A 38 1.600 -2.372 -0.700 1.00 0.00 H new ATOM 0 HZ PHE A 38 1.495 -4.239 -2.302 1.00 0.00 H new ATOM 530 N LYS A 39 4.237 -6.577 5.069 1.00 0.00 N ATOM 531 CA LYS A 39 4.743 -7.757 5.760 1.00 0.00 C ATOM 532 C LYS A 39 3.839 -8.130 6.930 1.00 0.00 C ATOM 533 O LYS A 39 3.699 -9.306 7.268 1.00 0.00 O ATOM 534 CB LYS A 39 6.167 -7.510 6.260 1.00 0.00 C ATOM 535 CG LYS A 39 7.063 -6.832 5.236 1.00 0.00 C ATOM 536 CD LYS A 39 8.520 -6.859 5.664 1.00 0.00 C ATOM 537 CE LYS A 39 9.184 -8.177 5.295 1.00 0.00 C ATOM 538 NZ LYS A 39 9.008 -9.205 6.359 1.00 0.00 N ATOM 0 H LYS A 39 4.756 -5.721 5.264 1.00 0.00 H new ATOM 0 HA LYS A 39 4.753 -8.586 5.052 1.00 0.00 H new ATOM 0 HB2 LYS A 39 6.126 -6.894 7.159 1.00 0.00 H new ATOM 0 HB3 LYS A 39 6.613 -8.463 6.546 1.00 0.00 H new ATOM 0 HG2 LYS A 39 6.957 -7.330 4.272 1.00 0.00 H new ATOM 0 HG3 LYS A 39 6.743 -5.799 5.098 1.00 0.00 H new ATOM 0 HD2 LYS A 39 9.055 -6.036 5.191 1.00 0.00 H new ATOM 0 HD3 LYS A 39 8.587 -6.705 6.741 1.00 0.00 H new ATOM 0 HE2 LYS A 39 8.763 -8.546 4.360 1.00 0.00 H new ATOM 0 HE3 LYS A 39 10.247 -8.012 5.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 9.872 -9.778 6.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 8.824 -8.735 7.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 8.205 -9.820 6.118 1.00 0.00 H new ATOM 548 N ALA A 40 3.228 -7.123 7.545 1.00 0.00 N ATOM 549 CA ALA A 40 2.334 -7.348 8.675 1.00 0.00 C ATOM 550 C ALA A 40 1.033 -8.003 8.225 1.00 0.00 C ATOM 551 O ALA A 40 0.374 -8.694 9.002 1.00 0.00 O ATOM 552 CB ALA A 40 2.048 -6.035 9.389 1.00 0.00 C ATOM 0 H ALA A 40 3.335 -6.144 7.280 1.00 0.00 H new ATOM 0 HA ALA A 40 2.829 -8.027 9.369 1.00 0.00 H new ATOM 0 HB1 ALA A 40 1.379 -6.217 10.231 1.00 0.00 H new ATOM 0 HB2 ALA A 40 2.982 -5.608 9.753 1.00 0.00 H new ATOM 0 HB3 ALA A 40 1.577 -5.339 8.695 1.00 0.00 H new ATOM 558 N ALA A 41 0.668 -7.780 6.967 1.00 0.00 N ATOM 559 CA ALA A 41 -0.554 -8.350 6.415 1.00 0.00 C ATOM 560 C ALA A 41 -0.292 -9.722 5.802 1.00 0.00 C ATOM 561 O ALA A 41 -1.139 -10.267 5.094 1.00 0.00 O ATOM 562 CB ALA A 41 -1.152 -7.412 5.375 1.00 0.00 C ATOM 0 H ALA A 41 1.201 -7.209 6.311 1.00 0.00 H new ATOM 0 HA ALA A 41 -1.267 -8.474 7.230 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -2.064 -7.851 4.971 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -1.385 -6.454 5.840 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -0.435 -7.259 4.568 1.00 0.00 H new ATOM 568 N CYS A 42 0.883 -10.273 6.080 1.00 0.00 N ATOM 569 CA CYS A 42 1.257 -11.582 5.555 1.00 0.00 C ATOM 570 C CYS A 42 1.021 -11.652 4.050 1.00 0.00 C ATOM 571 O CYS A 42 0.333 -12.548 3.560 1.00 0.00 O ATOM 572 CB CYS A 42 0.462 -12.683 6.260 1.00 0.00 C ATOM 573 SG CYS A 42 0.933 -12.944 7.985 1.00 0.00 S ATOM 0 H CYS A 42 1.594 -9.835 6.666 1.00 0.00 H new ATOM 0 HA CYS A 42 2.320 -11.732 5.745 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -0.598 -12.434 6.218 1.00 0.00 H new ATOM 0 HB3 CYS A 42 0.592 -13.617 5.714 1.00 0.00 H new ATOM 0 HG CYS A 42 0.204 -13.892 8.495 1.00 0.00 H new ATOM 578 N LEU A 43 1.595 -10.700 3.322 1.00 0.00 N ATOM 579 CA LEU A 43 1.446 -10.652 1.872 1.00 0.00 C ATOM 580 C LEU A 43 2.508 -11.507 1.187 1.00 0.00 C ATOM 581 O LEU A 43 3.526 -11.866 1.776 1.00 0.00 O ATOM 582 CB LEU A 43 1.543 -9.207 1.376 1.00 0.00 C ATOM 583 CG LEU A 43 0.227 -8.431 1.314 1.00 0.00 C ATOM 584 CD1 LEU A 43 -0.794 -9.032 2.268 1.00 0.00 C ATOM 585 CD2 LEU A 43 0.459 -6.961 1.634 1.00 0.00 C ATOM 0 H LEU A 43 2.168 -9.951 3.712 1.00 0.00 H new ATOM 0 HA LEU A 43 0.464 -11.052 1.620 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.231 -8.666 2.026 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.985 -9.214 0.380 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.168 -8.504 0.301 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.724 -8.466 2.210 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -0.983 -10.070 1.992 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.408 -8.992 3.287 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.488 -6.424 1.585 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.877 -6.868 2.636 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.154 -6.536 0.910 1.00 0.00 H new ATOM 596 N PRO A 44 2.265 -11.842 -0.090 1.00 0.00 N ATOM 597 CA PRO A 44 3.189 -12.657 -0.884 1.00 0.00 C ATOM 598 C PRO A 44 4.477 -11.911 -1.221 1.00 0.00 C ATOM 599 O PRO A 44 5.577 -12.432 -1.027 1.00 0.00 O ATOM 600 CB PRO A 44 2.395 -12.955 -2.158 1.00 0.00 C ATOM 601 CG PRO A 44 1.420 -11.833 -2.267 1.00 0.00 C ATOM 602 CD PRO A 44 1.071 -11.450 -0.856 1.00 0.00 C ATOM 0 HA PRO A 44 3.509 -13.550 -0.347 1.00 0.00 H new ATOM 0 HB2 PRO A 44 3.047 -12.999 -3.030 1.00 0.00 H new ATOM 0 HB3 PRO A 44 1.886 -13.917 -2.092 1.00 0.00 H new ATOM 0 HG2 PRO A 44 1.854 -10.990 -2.804 1.00 0.00 H new ATOM 0 HG3 PRO A 44 0.532 -12.140 -2.819 1.00 0.00 H new ATOM 0 HD2 PRO A 44 0.870 -10.382 -0.768 1.00 0.00 H new ATOM 0 HD3 PRO A 44 0.180 -11.972 -0.507 1.00 0.00 H new ATOM 607 N LEU A 45 4.333 -10.691 -1.725 1.00 0.00 N ATOM 608 CA LEU A 45 5.485 -9.873 -2.088 1.00 0.00 C ATOM 609 C LEU A 45 6.458 -9.753 -0.919 1.00 0.00 C ATOM 610 O LEU A 45 6.061 -9.623 0.239 1.00 0.00 O ATOM 611 CB LEU A 45 5.029 -8.482 -2.532 1.00 0.00 C ATOM 612 CG LEU A 45 4.115 -8.435 -3.757 1.00 0.00 C ATOM 613 CD1 LEU A 45 4.461 -7.242 -4.635 1.00 0.00 C ATOM 614 CD2 LEU A 45 4.218 -9.731 -4.550 1.00 0.00 C ATOM 0 H LEU A 45 3.430 -10.246 -1.892 1.00 0.00 H new ATOM 0 HA LEU A 45 5.999 -10.361 -2.916 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.511 -8.008 -1.698 1.00 0.00 H new ATOM 0 HB3 LEU A 45 5.914 -7.881 -2.740 1.00 0.00 H new ATOM 0 HG LEU A 45 3.086 -8.323 -3.415 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.801 -7.225 -5.502 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.335 -6.322 -4.064 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.495 -7.324 -4.969 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.561 -9.680 -5.418 1.00 0.00 H new ATOM 0 HD22 LEU A 45 5.246 -9.874 -4.881 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.921 -10.568 -3.919 1.00 0.00 H new ATOM 625 N PRO A 46 7.762 -9.793 -1.228 1.00 0.00 N ATOM 626 CA PRO A 46 8.819 -9.687 -0.217 1.00 0.00 C ATOM 627 C PRO A 46 8.905 -8.290 0.387 1.00 0.00 C ATOM 628 O PRO A 46 8.020 -7.459 0.184 1.00 0.00 O ATOM 629 CB PRO A 46 10.094 -10.010 -1.001 1.00 0.00 C ATOM 630 CG PRO A 46 9.772 -9.654 -2.411 1.00 0.00 C ATOM 631 CD PRO A 46 8.307 -9.945 -2.587 1.00 0.00 C ATOM 0 HA PRO A 46 8.642 -10.352 0.628 1.00 0.00 H new ATOM 0 HB2 PRO A 46 10.943 -9.434 -0.631 1.00 0.00 H new ATOM 0 HB3 PRO A 46 10.359 -11.063 -0.909 1.00 0.00 H new ATOM 0 HG2 PRO A 46 9.988 -8.604 -2.607 1.00 0.00 H new ATOM 0 HG3 PRO A 46 10.373 -10.238 -3.108 1.00 0.00 H new ATOM 0 HD2 PRO A 46 7.841 -9.251 -3.287 1.00 0.00 H new ATOM 0 HD3 PRO A 46 8.141 -10.950 -2.976 1.00 0.00 H new ATOM 636 N GLY A 47 9.979 -8.036 1.130 1.00 0.00 N ATOM 637 CA GLY A 47 10.160 -6.737 1.752 1.00 0.00 C ATOM 638 C GLY A 47 10.735 -5.712 0.796 1.00 0.00 C ATOM 639 O GLY A 47 10.318 -4.554 0.793 1.00 0.00 O ATOM 0 H GLY A 47 10.726 -8.706 1.312 1.00 0.00 H new ATOM 0 HA2 GLY A 47 9.201 -6.381 2.128 1.00 0.00 H new ATOM 0 HA3 GLY A 47 10.822 -6.838 2.612 1.00 0.00 H new ATOM 643 N TYR A 48 11.695 -6.138 -0.017 1.00 0.00 N ATOM 644 CA TYR A 48 12.332 -5.247 -0.981 1.00 0.00 C ATOM 645 C TYR A 48 11.354 -4.847 -2.082 1.00 0.00 C ATOM 646 O TYR A 48 11.342 -3.700 -2.530 1.00 0.00 O ATOM 647 CB TYR A 48 13.561 -5.918 -1.594 1.00 0.00 C ATOM 648 CG TYR A 48 13.235 -7.153 -2.403 1.00 0.00 C ATOM 649 CD1 TYR A 48 12.951 -7.064 -3.760 1.00 0.00 C ATOM 650 CD2 TYR A 48 13.212 -8.410 -1.810 1.00 0.00 C ATOM 651 CE1 TYR A 48 12.653 -8.190 -4.503 1.00 0.00 C ATOM 652 CE2 TYR A 48 12.916 -9.541 -2.545 1.00 0.00 C ATOM 653 CZ TYR A 48 12.637 -9.426 -3.891 1.00 0.00 C ATOM 654 OH TYR A 48 12.341 -10.551 -4.626 1.00 0.00 O ATOM 0 H TYR A 48 12.050 -7.094 -0.028 1.00 0.00 H new ATOM 0 HA TYR A 48 12.645 -4.346 -0.453 1.00 0.00 H new ATOM 0 HB2 TYR A 48 14.076 -5.200 -2.233 1.00 0.00 H new ATOM 0 HB3 TYR A 48 14.253 -6.188 -0.796 1.00 0.00 H new ATOM 0 HD1 TYR A 48 12.963 -6.098 -4.242 1.00 0.00 H new ATOM 0 HD2 TYR A 48 13.429 -8.504 -0.756 1.00 0.00 H new ATOM 0 HE1 TYR A 48 12.434 -8.103 -5.557 1.00 0.00 H new ATOM 0 HE2 TYR A 48 12.903 -10.510 -2.069 1.00 0.00 H new ATOM 0 HH TYR A 48 12.373 -11.339 -4.045 1.00 0.00 H new ATOM 663 N ARG A 49 10.535 -5.802 -2.512 1.00 0.00 N ATOM 664 CA ARG A 49 9.554 -5.551 -3.560 1.00 0.00 C ATOM 665 C ARG A 49 8.684 -4.346 -3.215 1.00 0.00 C ATOM 666 O ARG A 49 8.477 -3.459 -4.043 1.00 0.00 O ATOM 667 CB ARG A 49 8.674 -6.785 -3.771 1.00 0.00 C ATOM 668 CG ARG A 49 9.142 -7.681 -4.906 1.00 0.00 C ATOM 669 CD ARG A 49 8.196 -7.611 -6.095 1.00 0.00 C ATOM 670 NE ARG A 49 7.773 -8.939 -6.534 1.00 0.00 N ATOM 671 CZ ARG A 49 6.804 -9.145 -7.420 1.00 0.00 C ATOM 672 NH1 ARG A 49 6.164 -8.116 -7.959 1.00 0.00 N ATOM 673 NH2 ARG A 49 6.475 -10.383 -7.769 1.00 0.00 N ATOM 0 H ARG A 49 10.532 -6.756 -2.151 1.00 0.00 H new ATOM 0 HA ARG A 49 10.093 -5.335 -4.482 1.00 0.00 H new ATOM 0 HB2 ARG A 49 8.649 -7.365 -2.848 1.00 0.00 H new ATOM 0 HB3 ARG A 49 7.653 -6.462 -3.972 1.00 0.00 H new ATOM 0 HG2 ARG A 49 10.143 -7.383 -5.218 1.00 0.00 H new ATOM 0 HG3 ARG A 49 9.211 -8.710 -4.554 1.00 0.00 H new ATOM 0 HD2 ARG A 49 7.320 -7.021 -5.827 1.00 0.00 H new ATOM 0 HD3 ARG A 49 8.687 -7.095 -6.920 1.00 0.00 H new ATOM 0 HE ARG A 49 8.247 -9.751 -6.139 1.00 0.00 H new ATOM 0 HH11 ARG A 49 6.415 -7.164 -7.694 1.00 0.00 H new ATOM 0 HH12 ARG A 49 5.421 -8.277 -8.639 1.00 0.00 H new ATOM 0 HH21 ARG A 49 6.966 -11.177 -7.357 1.00 0.00 H new ATOM 0 HH22 ARG A 49 5.731 -10.541 -8.449 1.00 0.00 H new ATOM 684 N VAL A 50 8.178 -4.321 -1.987 1.00 0.00 N ATOM 685 CA VAL A 50 7.331 -3.225 -1.531 1.00 0.00 C ATOM 686 C VAL A 50 8.121 -1.926 -1.431 1.00 0.00 C ATOM 687 O VAL A 50 7.725 -0.902 -1.988 1.00 0.00 O ATOM 688 CB VAL A 50 6.700 -3.536 -0.161 1.00 0.00 C ATOM 689 CG1 VAL A 50 5.677 -2.472 0.210 1.00 0.00 C ATOM 690 CG2 VAL A 50 6.064 -4.918 -0.169 1.00 0.00 C ATOM 0 H VAL A 50 8.340 -5.047 -1.289 1.00 0.00 H new ATOM 0 HA VAL A 50 6.538 -3.109 -2.270 1.00 0.00 H new ATOM 0 HB VAL A 50 7.488 -3.527 0.593 1.00 0.00 H new ATOM 0 HG11 VAL A 50 5.242 -2.709 1.181 1.00 0.00 H new ATOM 0 HG12 VAL A 50 6.166 -1.499 0.259 1.00 0.00 H new ATOM 0 HG13 VAL A 50 4.890 -2.445 -0.544 1.00 0.00 H new ATOM 0 HG21 VAL A 50 5.623 -5.121 0.807 1.00 0.00 H new ATOM 0 HG22 VAL A 50 5.288 -4.957 -0.933 1.00 0.00 H new ATOM 0 HG23 VAL A 50 6.825 -5.667 -0.386 1.00 0.00 H new ATOM 700 N ARG A 51 9.241 -1.973 -0.717 1.00 0.00 N ATOM 701 CA ARG A 51 10.088 -0.799 -0.543 1.00 0.00 C ATOM 702 C ARG A 51 10.453 -0.187 -1.892 1.00 0.00 C ATOM 703 O ARG A 51 10.376 1.028 -2.074 1.00 0.00 O ATOM 704 CB ARG A 51 11.360 -1.170 0.223 1.00 0.00 C ATOM 705 CG ARG A 51 11.830 -0.088 1.182 1.00 0.00 C ATOM 706 CD ARG A 51 13.257 0.341 0.880 1.00 0.00 C ATOM 707 NE ARG A 51 13.410 1.793 0.913 1.00 0.00 N ATOM 708 CZ ARG A 51 14.578 2.412 0.777 1.00 0.00 C ATOM 709 NH1 ARG A 51 15.688 1.709 0.596 1.00 0.00 N ATOM 710 NH2 ARG A 51 14.636 3.737 0.818 1.00 0.00 N ATOM 0 H ARG A 51 9.583 -2.812 -0.249 1.00 0.00 H new ATOM 0 HA ARG A 51 9.529 -0.061 0.032 1.00 0.00 H new ATOM 0 HB2 ARG A 51 11.182 -2.088 0.783 1.00 0.00 H new ATOM 0 HB3 ARG A 51 12.156 -1.381 -0.491 1.00 0.00 H new ATOM 0 HG2 ARG A 51 11.167 0.774 1.113 1.00 0.00 H new ATOM 0 HG3 ARG A 51 11.768 -0.456 2.206 1.00 0.00 H new ATOM 0 HD2 ARG A 51 13.933 -0.111 1.606 1.00 0.00 H new ATOM 0 HD3 ARG A 51 13.548 -0.032 -0.102 1.00 0.00 H new ATOM 0 HE ARG A 51 12.575 2.363 1.048 1.00 0.00 H new ATOM 0 HH11 ARG A 51 15.647 0.690 0.561 1.00 0.00 H new ATOM 0 HH12 ARG A 51 16.583 2.187 0.492 1.00 0.00 H new ATOM 0 HH21 ARG A 51 13.784 4.281 0.954 1.00 0.00 H new ATOM 0 HH22 ARG A 51 15.533 4.212 0.714 1.00 0.00 H new ATOM 721 N GLU A 52 10.849 -1.037 -2.834 1.00 0.00 N ATOM 722 CA GLU A 52 11.227 -0.579 -4.166 1.00 0.00 C ATOM 723 C GLU A 52 10.019 -0.017 -4.910 1.00 0.00 C ATOM 724 O GLU A 52 10.079 1.076 -5.475 1.00 0.00 O ATOM 725 CB GLU A 52 11.846 -1.726 -4.968 1.00 0.00 C ATOM 726 CG GLU A 52 13.366 -1.724 -4.958 1.00 0.00 C ATOM 727 CD GLU A 52 13.953 -0.637 -5.838 1.00 0.00 C ATOM 728 OE1 GLU A 52 13.665 -0.639 -7.053 1.00 0.00 O ATOM 729 OE2 GLU A 52 14.698 0.214 -5.312 1.00 0.00 O ATOM 0 H GLU A 52 10.916 -2.046 -2.700 1.00 0.00 H new ATOM 0 HA GLU A 52 11.965 0.215 -4.054 1.00 0.00 H new ATOM 0 HB2 GLU A 52 11.490 -2.674 -4.565 1.00 0.00 H new ATOM 0 HB3 GLU A 52 11.498 -1.667 -5.999 1.00 0.00 H new ATOM 0 HG2 GLU A 52 13.719 -1.589 -3.936 1.00 0.00 H new ATOM 0 HG3 GLU A 52 13.729 -2.695 -5.295 1.00 0.00 H new ATOM 734 N ILE A 53 8.926 -0.772 -4.908 1.00 0.00 N ATOM 735 CA ILE A 53 7.705 -0.350 -5.583 1.00 0.00 C ATOM 736 C ILE A 53 7.315 1.067 -5.177 1.00 0.00 C ATOM 737 O ILE A 53 6.942 1.886 -6.018 1.00 0.00 O ATOM 738 CB ILE A 53 6.534 -1.301 -5.274 1.00 0.00 C ATOM 739 CG1 ILE A 53 6.685 -2.603 -6.062 1.00 0.00 C ATOM 740 CG2 ILE A 53 5.207 -0.630 -5.599 1.00 0.00 C ATOM 741 CD1 ILE A 53 5.960 -3.775 -5.438 1.00 0.00 C ATOM 0 H ILE A 53 8.861 -1.679 -4.446 1.00 0.00 H new ATOM 0 HA ILE A 53 7.910 -0.376 -6.653 1.00 0.00 H new ATOM 0 HB ILE A 53 6.548 -1.538 -4.210 1.00 0.00 H new ATOM 0 HG12 ILE A 53 6.310 -2.451 -7.074 1.00 0.00 H new ATOM 0 HG13 ILE A 53 7.744 -2.845 -6.148 1.00 0.00 H new ATOM 0 HG21 ILE A 53 4.389 -1.315 -5.375 1.00 0.00 H new ATOM 0 HG22 ILE A 53 5.099 0.273 -4.998 1.00 0.00 H new ATOM 0 HG23 ILE A 53 5.182 -0.367 -6.657 1.00 0.00 H new ATOM 0 HD11 ILE A 53 6.111 -4.664 -6.050 1.00 0.00 H new ATOM 0 HD12 ILE A 53 6.351 -3.953 -4.436 1.00 0.00 H new ATOM 0 HD13 ILE A 53 4.895 -3.553 -5.377 1.00 0.00 H new ATOM 752 N THR A 54 7.405 1.352 -3.882 1.00 0.00 N ATOM 753 CA THR A 54 7.063 2.671 -3.363 1.00 0.00 C ATOM 754 C THR A 54 8.112 3.704 -3.753 1.00 0.00 C ATOM 755 O THR A 54 7.803 4.701 -4.406 1.00 0.00 O ATOM 756 CB THR A 54 6.922 2.652 -1.829 1.00 0.00 C ATOM 757 OG1 THR A 54 6.676 1.316 -1.376 1.00 0.00 O ATOM 758 CG2 THR A 54 5.790 3.563 -1.379 1.00 0.00 C ATOM 0 H THR A 54 7.712 0.687 -3.172 1.00 0.00 H new ATOM 0 HA THR A 54 6.105 2.946 -3.805 1.00 0.00 H new ATOM 0 HB THR A 54 7.854 3.016 -1.396 1.00 0.00 H new ATOM 0 HG1 THR A 54 7.482 0.774 -1.504 1.00 0.00 H new ATOM 0 HG21 THR A 54 5.709 3.533 -0.292 1.00 0.00 H new ATOM 0 HG22 THR A 54 5.995 4.584 -1.700 1.00 0.00 H new ATOM 0 HG23 THR A 54 4.853 3.225 -1.822 1.00 0.00 H new ATOM 766 N GLU A 55 9.356 3.460 -3.350 1.00 0.00 N ATOM 767 CA GLU A 55 10.451 4.372 -3.658 1.00 0.00 C ATOM 768 C GLU A 55 10.488 4.694 -5.150 1.00 0.00 C ATOM 769 O GLU A 55 10.831 5.806 -5.547 1.00 0.00 O ATOM 770 CB GLU A 55 11.787 3.766 -3.223 1.00 0.00 C ATOM 771 CG GLU A 55 12.497 4.567 -2.146 1.00 0.00 C ATOM 772 CD GLU A 55 13.980 4.728 -2.420 1.00 0.00 C ATOM 773 OE1 GLU A 55 14.498 5.850 -2.244 1.00 0.00 O ATOM 774 OE2 GLU A 55 14.623 3.731 -2.810 1.00 0.00 O ATOM 0 H GLU A 55 9.630 2.639 -2.810 1.00 0.00 H new ATOM 0 HA GLU A 55 10.284 5.298 -3.108 1.00 0.00 H new ATOM 0 HB2 GLU A 55 11.615 2.754 -2.857 1.00 0.00 H new ATOM 0 HB3 GLU A 55 12.439 3.684 -4.092 1.00 0.00 H new ATOM 0 HG2 GLU A 55 12.037 5.552 -2.068 1.00 0.00 H new ATOM 0 HG3 GLU A 55 12.361 4.075 -1.183 1.00 0.00 H new ATOM 779 N ASN A 56 10.133 3.709 -5.970 1.00 0.00 N ATOM 780 CA ASN A 56 10.127 3.887 -7.417 1.00 0.00 C ATOM 781 C ASN A 56 8.793 4.458 -7.890 1.00 0.00 C ATOM 782 O ASN A 56 8.706 5.053 -8.965 1.00 0.00 O ATOM 783 CB ASN A 56 10.399 2.553 -8.117 1.00 0.00 C ATOM 784 CG ASN A 56 10.786 2.732 -9.572 1.00 0.00 C ATOM 785 OD1 ASN A 56 11.751 3.427 -9.889 1.00 0.00 O ATOM 786 ND2 ASN A 56 10.033 2.102 -10.466 1.00 0.00 N ATOM 0 H ASN A 56 9.846 2.781 -5.657 1.00 0.00 H new ATOM 0 HA ASN A 56 10.916 4.593 -7.674 1.00 0.00 H new ATOM 0 HB2 ASN A 56 11.198 2.027 -7.594 1.00 0.00 H new ATOM 0 HB3 ASN A 56 9.510 1.925 -8.055 1.00 0.00 H new ATOM 0 HD21 ASN A 56 10.245 2.184 -11.460 1.00 0.00 H new ATOM 0 HD22 ASN A 56 9.242 1.536 -10.158 1.00 0.00 H new ATOM 792 N LEU A 57 7.757 4.274 -7.079 1.00 0.00 N ATOM 793 CA LEU A 57 6.427 4.772 -7.413 1.00 0.00 C ATOM 794 C LEU A 57 6.418 6.295 -7.487 1.00 0.00 C ATOM 795 O LEU A 57 6.111 6.873 -8.529 1.00 0.00 O ATOM 796 CB LEU A 57 5.408 4.295 -6.377 1.00 0.00 C ATOM 797 CG LEU A 57 4.425 3.223 -6.846 1.00 0.00 C ATOM 798 CD1 LEU A 57 3.446 2.872 -5.735 1.00 0.00 C ATOM 799 CD2 LEU A 57 3.680 3.688 -8.089 1.00 0.00 C ATOM 0 H LEU A 57 7.812 3.784 -6.186 1.00 0.00 H new ATOM 0 HA LEU A 57 6.154 4.378 -8.392 1.00 0.00 H new ATOM 0 HB2 LEU A 57 5.951 3.909 -5.514 1.00 0.00 H new ATOM 0 HB3 LEU A 57 4.837 5.158 -6.035 1.00 0.00 H new ATOM 0 HG LEU A 57 4.990 2.326 -7.100 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.754 2.107 -6.088 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.995 2.495 -4.872 1.00 0.00 H new ATOM 0 HD13 LEU A 57 2.887 3.763 -5.448 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.985 2.912 -8.408 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.127 4.599 -7.862 1.00 0.00 H new ATOM 0 HD23 LEU A 57 4.394 3.886 -8.888 1.00 0.00 H new ATOM 810 N MET A 58 6.760 6.939 -6.377 1.00 0.00 N ATOM 811 CA MET A 58 6.795 8.396 -6.317 1.00 0.00 C ATOM 812 C MET A 58 8.122 8.929 -6.847 1.00 0.00 C ATOM 813 O MET A 58 8.298 10.138 -7.005 1.00 0.00 O ATOM 814 CB MET A 58 6.575 8.875 -4.881 1.00 0.00 C ATOM 815 CG MET A 58 7.560 8.282 -3.886 1.00 0.00 C ATOM 816 SD MET A 58 8.955 9.373 -3.553 1.00 0.00 S ATOM 817 CE MET A 58 9.021 9.304 -1.764 1.00 0.00 C ATOM 0 H MET A 58 7.017 6.475 -5.506 1.00 0.00 H new ATOM 0 HA MET A 58 5.992 8.780 -6.946 1.00 0.00 H new ATOM 0 HB2 MET A 58 6.653 9.962 -4.853 1.00 0.00 H new ATOM 0 HB3 MET A 58 5.561 8.620 -4.573 1.00 0.00 H new ATOM 0 HG2 MET A 58 7.041 8.067 -2.952 1.00 0.00 H new ATOM 0 HG3 MET A 58 7.931 7.332 -4.271 1.00 0.00 H new ATOM 0 HE1 MET A 58 9.644 10.117 -1.391 1.00 0.00 H new ATOM 0 HE2 MET A 58 8.014 9.403 -1.359 1.00 0.00 H new ATOM 0 HE3 MET A 58 9.445 8.350 -1.452 1.00 0.00 H new ATOM 825 N ALA A 59 9.055 8.022 -7.117 1.00 0.00 N ATOM 826 CA ALA A 59 10.365 8.401 -7.630 1.00 0.00 C ATOM 827 C ALA A 59 10.239 9.415 -8.762 1.00 0.00 C ATOM 828 O ALA A 59 11.148 10.210 -9.003 1.00 0.00 O ATOM 829 CB ALA A 59 11.124 7.171 -8.103 1.00 0.00 C ATOM 0 H ALA A 59 8.927 7.018 -6.989 1.00 0.00 H new ATOM 0 HA ALA A 59 10.923 8.868 -6.819 1.00 0.00 H new ATOM 0 HB1 ALA A 59 12.101 7.470 -8.483 1.00 0.00 H new ATOM 0 HB2 ALA A 59 11.255 6.481 -7.269 1.00 0.00 H new ATOM 0 HB3 ALA A 59 10.561 6.679 -8.896 1.00 0.00 H new ATOM 835 N THR A 60 9.105 9.382 -9.456 1.00 0.00 N ATOM 836 CA THR A 60 8.861 10.296 -10.565 1.00 0.00 C ATOM 837 C THR A 60 7.853 11.372 -10.178 1.00 0.00 C ATOM 838 O THR A 60 8.145 12.565 -10.252 1.00 0.00 O ATOM 839 CB THR A 60 8.344 9.547 -11.807 1.00 0.00 C ATOM 840 OG1 THR A 60 7.473 8.482 -11.410 1.00 0.00 O ATOM 841 CG2 THR A 60 9.499 8.988 -12.622 1.00 0.00 C ATOM 0 H THR A 60 8.341 8.732 -9.269 1.00 0.00 H new ATOM 0 HA THR A 60 9.815 10.765 -10.804 1.00 0.00 H new ATOM 0 HB THR A 60 7.793 10.254 -12.427 1.00 0.00 H new ATOM 0 HG1 THR A 60 7.147 8.012 -12.206 1.00 0.00 H new ATOM 0 HG21 THR A 60 9.109 8.463 -13.494 1.00 0.00 H new ATOM 0 HG22 THR A 60 10.143 9.805 -12.948 1.00 0.00 H new ATOM 0 HG23 THR A 60 10.075 8.295 -12.009 1.00 0.00 H new ATOM 849 N GLY A 61 6.665 10.943 -9.763 1.00 0.00 N ATOM 850 CA GLY A 61 5.632 11.883 -9.370 1.00 0.00 C ATOM 851 C GLY A 61 4.306 11.204 -9.092 1.00 0.00 C ATOM 852 O GLY A 61 3.258 11.666 -9.545 1.00 0.00 O ATOM 0 H GLY A 61 6.400 9.961 -9.692 1.00 0.00 H new ATOM 0 HA2 GLY A 61 5.955 12.421 -8.479 1.00 0.00 H new ATOM 0 HA3 GLY A 61 5.499 12.623 -10.159 1.00 0.00 H new ATOM 856 N ASP A 62 4.351 10.106 -8.347 1.00 0.00 N ATOM 857 CA ASP A 62 3.142 9.361 -8.009 1.00 0.00 C ATOM 858 C ASP A 62 2.574 9.825 -6.672 1.00 0.00 C ATOM 859 O ASP A 62 1.410 10.215 -6.581 1.00 0.00 O ATOM 860 CB ASP A 62 3.439 7.862 -7.960 1.00 0.00 C ATOM 861 CG ASP A 62 3.475 7.233 -9.339 1.00 0.00 C ATOM 862 OD1 ASP A 62 2.708 6.275 -9.576 1.00 0.00 O ATOM 863 OD2 ASP A 62 4.270 7.699 -10.183 1.00 0.00 O ATOM 0 H ASP A 62 5.210 9.711 -7.965 1.00 0.00 H new ATOM 0 HA ASP A 62 2.399 9.551 -8.783 1.00 0.00 H new ATOM 0 HB2 ASP A 62 4.397 7.700 -7.465 1.00 0.00 H new ATOM 0 HB3 ASP A 62 2.680 7.364 -7.356 1.00 0.00 H new ATOM 867 N LEU A 63 3.404 9.778 -5.634 1.00 0.00 N ATOM 868 CA LEU A 63 2.984 10.192 -4.301 1.00 0.00 C ATOM 869 C LEU A 63 3.379 11.640 -4.031 1.00 0.00 C ATOM 870 O LEU A 63 3.043 12.202 -2.988 1.00 0.00 O ATOM 871 CB LEU A 63 3.604 9.277 -3.243 1.00 0.00 C ATOM 872 CG LEU A 63 3.295 7.786 -3.381 1.00 0.00 C ATOM 873 CD1 LEU A 63 2.996 7.434 -4.830 1.00 0.00 C ATOM 874 CD2 LEU A 63 4.452 6.951 -2.854 1.00 0.00 C ATOM 0 H LEU A 63 4.371 9.457 -5.691 1.00 0.00 H new ATOM 0 HA LEU A 63 1.898 10.115 -4.249 1.00 0.00 H new ATOM 0 HB2 LEU A 63 4.686 9.407 -3.268 1.00 0.00 H new ATOM 0 HB3 LEU A 63 3.265 9.608 -2.261 1.00 0.00 H new ATOM 0 HG LEU A 63 2.410 7.561 -2.785 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.779 6.369 -4.908 1.00 0.00 H new ATOM 0 HD12 LEU A 63 2.134 8.006 -5.173 1.00 0.00 H new ATOM 0 HD13 LEU A 63 3.861 7.674 -5.449 1.00 0.00 H new ATOM 0 HD21 LEU A 63 4.215 5.892 -2.960 1.00 0.00 H new ATOM 0 HD22 LEU A 63 5.354 7.179 -3.422 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.618 7.182 -1.802 1.00 0.00 H new ATOM 885 N ASP A 64 4.093 12.240 -4.977 1.00 0.00 N ATOM 886 CA ASP A 64 4.531 13.625 -4.843 1.00 0.00 C ATOM 887 C ASP A 64 3.363 14.530 -4.466 1.00 0.00 C ATOM 888 O ASP A 64 3.556 15.602 -3.893 1.00 0.00 O ATOM 889 CB ASP A 64 5.167 14.108 -6.147 1.00 0.00 C ATOM 890 CG ASP A 64 6.231 15.164 -5.915 1.00 0.00 C ATOM 891 OD1 ASP A 64 6.293 16.127 -6.707 1.00 0.00 O ATOM 892 OD2 ASP A 64 6.999 15.027 -4.941 1.00 0.00 O ATOM 0 H ASP A 64 4.381 11.789 -5.845 1.00 0.00 H new ATOM 0 HA ASP A 64 5.274 13.671 -4.046 1.00 0.00 H new ATOM 0 HB2 ASP A 64 5.609 13.259 -6.669 1.00 0.00 H new ATOM 0 HB3 ASP A 64 4.392 14.514 -6.798 1.00 0.00 H new ATOM 896 N GLN A 65 2.151 14.091 -4.792 1.00 0.00 N ATOM 897 CA GLN A 65 0.952 14.864 -4.489 1.00 0.00 C ATOM 898 C GLN A 65 0.946 15.308 -3.030 1.00 0.00 C ATOM 899 O GLN A 65 0.446 16.384 -2.701 1.00 0.00 O ATOM 900 CB GLN A 65 -0.301 14.038 -4.787 1.00 0.00 C ATOM 901 CG GLN A 65 -0.671 13.069 -3.677 1.00 0.00 C ATOM 902 CD GLN A 65 -1.990 12.367 -3.930 1.00 0.00 C ATOM 903 OE1 GLN A 65 -2.819 12.841 -4.707 1.00 0.00 O ATOM 904 NE2 GLN A 65 -2.192 11.230 -3.275 1.00 0.00 N ATOM 0 H GLN A 65 1.974 13.205 -5.265 1.00 0.00 H new ATOM 0 HA GLN A 65 0.953 15.752 -5.121 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -1.138 14.714 -4.961 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -0.146 13.478 -5.709 1.00 0.00 H new ATOM 0 HG2 GLN A 65 0.118 12.324 -3.572 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -0.727 13.609 -2.732 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -1.478 10.873 -2.640 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -3.062 10.713 -3.406 1.00 0.00 H new ATOM 911 N ASP A 66 1.505 14.475 -2.160 1.00 0.00 N ATOM 912 CA ASP A 66 1.564 14.782 -0.736 1.00 0.00 C ATOM 913 C ASP A 66 2.755 14.090 -0.079 1.00 0.00 C ATOM 914 O ASP A 66 3.426 14.664 0.775 1.00 0.00 O ATOM 915 CB ASP A 66 0.267 14.359 -0.045 1.00 0.00 C ATOM 916 CG ASP A 66 -0.354 15.482 0.760 1.00 0.00 C ATOM 917 OD1 ASP A 66 0.382 16.140 1.527 1.00 0.00 O ATOM 918 OD2 ASP A 66 -1.575 15.705 0.625 1.00 0.00 O ATOM 0 H ASP A 66 1.924 13.581 -2.416 1.00 0.00 H new ATOM 0 HA ASP A 66 1.688 15.860 -0.628 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -0.446 14.017 -0.795 1.00 0.00 H new ATOM 0 HB3 ASP A 66 0.468 13.513 0.612 1.00 0.00 H new ATOM 922 N GLY A 67 3.008 12.849 -0.485 1.00 0.00 N ATOM 923 CA GLY A 67 4.116 12.097 0.075 1.00 0.00 C ATOM 924 C GLY A 67 3.655 10.896 0.877 1.00 0.00 C ATOM 925 O GLY A 67 4.455 10.023 1.216 1.00 0.00 O ATOM 0 H GLY A 67 2.466 12.351 -1.191 1.00 0.00 H new ATOM 0 HA2 GLY A 67 4.769 11.763 -0.731 1.00 0.00 H new ATOM 0 HA3 GLY A 67 4.709 12.751 0.714 1.00 0.00 H new ATOM 929 N ARG A 68 2.363 10.851 1.182 1.00 0.00 N ATOM 930 CA ARG A 68 1.797 9.749 1.952 1.00 0.00 C ATOM 931 C ARG A 68 1.337 8.623 1.032 1.00 0.00 C ATOM 932 O ARG A 68 1.658 8.609 -0.157 1.00 0.00 O ATOM 933 CB ARG A 68 0.623 10.242 2.800 1.00 0.00 C ATOM 934 CG ARG A 68 0.962 11.439 3.672 1.00 0.00 C ATOM 935 CD ARG A 68 0.435 12.733 3.072 1.00 0.00 C ATOM 936 NE ARG A 68 0.077 13.707 4.099 1.00 0.00 N ATOM 937 CZ ARG A 68 0.967 14.326 4.867 1.00 0.00 C ATOM 938 NH1 ARG A 68 2.260 14.074 4.724 1.00 0.00 N ATOM 939 NH2 ARG A 68 0.562 15.201 5.780 1.00 0.00 N ATOM 0 H ARG A 68 1.688 11.565 0.908 1.00 0.00 H new ATOM 0 HA ARG A 68 2.574 9.362 2.610 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -0.204 10.506 2.141 1.00 0.00 H new ATOM 0 HB3 ARG A 68 0.277 9.427 3.435 1.00 0.00 H new ATOM 0 HG2 ARG A 68 0.537 11.298 4.666 1.00 0.00 H new ATOM 0 HG3 ARG A 68 2.043 11.507 3.794 1.00 0.00 H new ATOM 0 HD2 ARG A 68 1.191 13.162 2.414 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -0.438 12.518 2.456 1.00 0.00 H new ATOM 0 HE ARG A 68 -0.910 13.924 4.234 1.00 0.00 H new ATOM 0 HH11 ARG A 68 2.574 13.403 4.023 1.00 0.00 H new ATOM 0 HH12 ARG A 68 2.941 14.551 5.315 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -0.433 15.398 5.892 1.00 0.00 H new ATOM 0 HH22 ARG A 68 1.245 15.676 6.370 1.00 0.00 H new ATOM 950 N ILE A 69 0.583 7.681 1.588 1.00 0.00 N ATOM 951 CA ILE A 69 0.078 6.553 0.818 1.00 0.00 C ATOM 952 C ILE A 69 -1.289 6.107 1.325 1.00 0.00 C ATOM 953 O ILE A 69 -1.398 5.490 2.385 1.00 0.00 O ATOM 954 CB ILE A 69 1.047 5.356 0.871 1.00 0.00 C ATOM 955 CG1 ILE A 69 2.373 5.716 0.197 1.00 0.00 C ATOM 956 CG2 ILE A 69 0.423 4.139 0.205 1.00 0.00 C ATOM 957 CD1 ILE A 69 3.464 4.694 0.427 1.00 0.00 C ATOM 0 H ILE A 69 0.308 7.677 2.570 1.00 0.00 H new ATOM 0 HA ILE A 69 -0.013 6.892 -0.214 1.00 0.00 H new ATOM 0 HB ILE A 69 1.244 5.113 1.915 1.00 0.00 H new ATOM 0 HG12 ILE A 69 2.209 5.825 -0.875 1.00 0.00 H new ATOM 0 HG13 ILE A 69 2.709 6.684 0.568 1.00 0.00 H new ATOM 0 HG21 ILE A 69 1.120 3.302 0.251 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -0.498 3.873 0.723 1.00 0.00 H new ATOM 0 HG23 ILE A 69 0.200 4.369 -0.837 1.00 0.00 H new ATOM 0 HD11 ILE A 69 4.375 5.014 -0.079 1.00 0.00 H new ATOM 0 HD12 ILE A 69 3.656 4.601 1.496 1.00 0.00 H new ATOM 0 HD13 ILE A 69 3.148 3.729 0.030 1.00 0.00 H new ATOM 968 N SER A 70 -2.330 6.422 0.560 1.00 0.00 N ATOM 969 CA SER A 70 -3.692 6.056 0.934 1.00 0.00 C ATOM 970 C SER A 70 -3.968 4.591 0.610 1.00 0.00 C ATOM 971 O SER A 70 -3.359 4.017 -0.294 1.00 0.00 O ATOM 972 CB SER A 70 -4.699 6.950 0.209 1.00 0.00 C ATOM 973 OG SER A 70 -5.350 6.245 -0.834 1.00 0.00 O ATOM 0 H SER A 70 -2.257 6.929 -0.322 1.00 0.00 H new ATOM 0 HA SER A 70 -3.799 6.198 2.009 1.00 0.00 H new ATOM 0 HB2 SER A 70 -5.439 7.320 0.919 1.00 0.00 H new ATOM 0 HB3 SER A 70 -4.188 7.821 -0.201 1.00 0.00 H new ATOM 0 HG SER A 70 -5.989 6.838 -1.280 1.00 0.00 H new ATOM 978 N PHE A 71 -4.893 3.992 1.352 1.00 0.00 N ATOM 979 CA PHE A 71 -5.252 2.594 1.146 1.00 0.00 C ATOM 980 C PHE A 71 -5.446 2.296 -0.338 1.00 0.00 C ATOM 981 O PHE A 71 -5.104 1.213 -0.815 1.00 0.00 O ATOM 982 CB PHE A 71 -6.528 2.254 1.917 1.00 0.00 C ATOM 983 CG PHE A 71 -6.790 0.779 2.021 1.00 0.00 C ATOM 984 CD1 PHE A 71 -8.086 0.287 1.991 1.00 0.00 C ATOM 985 CD2 PHE A 71 -5.742 -0.118 2.150 1.00 0.00 C ATOM 986 CE1 PHE A 71 -8.331 -1.070 2.087 1.00 0.00 C ATOM 987 CE2 PHE A 71 -5.980 -1.475 2.244 1.00 0.00 C ATOM 988 CZ PHE A 71 -7.276 -1.952 2.214 1.00 0.00 C ATOM 0 H PHE A 71 -5.408 4.453 2.102 1.00 0.00 H new ATOM 0 HA PHE A 71 -4.435 1.976 1.519 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -6.460 2.674 2.920 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -7.377 2.732 1.428 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -8.914 0.973 1.891 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -4.726 0.249 2.177 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -9.345 -1.440 2.063 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -5.153 -2.163 2.341 1.00 0.00 H new ATOM 0 HZ PHE A 71 -7.464 -3.013 2.290 1.00 0.00 H new ATOM 997 N ASP A 72 -5.997 3.263 -1.062 1.00 0.00 N ATOM 998 CA ASP A 72 -6.237 3.105 -2.493 1.00 0.00 C ATOM 999 C ASP A 72 -4.954 2.713 -3.219 1.00 0.00 C ATOM 1000 O ASP A 72 -4.918 1.718 -3.940 1.00 0.00 O ATOM 1001 CB ASP A 72 -6.796 4.401 -3.083 1.00 0.00 C ATOM 1002 CG ASP A 72 -8.254 4.617 -2.727 1.00 0.00 C ATOM 1003 OD1 ASP A 72 -8.707 5.781 -2.762 1.00 0.00 O ATOM 1004 OD2 ASP A 72 -8.942 3.623 -2.414 1.00 0.00 O ATOM 0 H ASP A 72 -6.286 4.165 -0.683 1.00 0.00 H new ATOM 0 HA ASP A 72 -6.968 2.308 -2.629 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -6.208 5.245 -2.722 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -6.689 4.379 -4.168 1.00 0.00 H new ATOM 1008 N GLU A 73 -3.904 3.505 -3.022 1.00 0.00 N ATOM 1009 CA GLU A 73 -2.619 3.241 -3.661 1.00 0.00 C ATOM 1010 C GLU A 73 -2.104 1.852 -3.294 1.00 0.00 C ATOM 1011 O GLU A 73 -1.663 1.092 -4.156 1.00 0.00 O ATOM 1012 CB GLU A 73 -1.594 4.301 -3.253 1.00 0.00 C ATOM 1013 CG GLU A 73 -1.290 5.306 -4.351 1.00 0.00 C ATOM 1014 CD GLU A 73 -2.146 6.554 -4.252 1.00 0.00 C ATOM 1015 OE1 GLU A 73 -2.523 7.099 -5.311 1.00 0.00 O ATOM 1016 OE2 GLU A 73 -2.438 6.986 -3.118 1.00 0.00 O ATOM 0 H GLU A 73 -3.918 4.333 -2.426 1.00 0.00 H new ATOM 0 HA GLU A 73 -2.764 3.283 -4.741 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -1.963 4.833 -2.376 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -0.669 3.806 -2.959 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -0.238 5.586 -4.301 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -1.449 4.837 -5.322 1.00 0.00 H new ATOM 1021 N PHE A 74 -2.165 1.527 -2.007 1.00 0.00 N ATOM 1022 CA PHE A 74 -1.704 0.230 -1.523 1.00 0.00 C ATOM 1023 C PHE A 74 -2.334 -0.904 -2.324 1.00 0.00 C ATOM 1024 O PHE A 74 -1.635 -1.774 -2.844 1.00 0.00 O ATOM 1025 CB PHE A 74 -2.037 0.068 -0.038 1.00 0.00 C ATOM 1026 CG PHE A 74 -1.775 -1.315 0.487 1.00 0.00 C ATOM 1027 CD1 PHE A 74 -2.674 -2.341 0.249 1.00 0.00 C ATOM 1028 CD2 PHE A 74 -0.631 -1.586 1.220 1.00 0.00 C ATOM 1029 CE1 PHE A 74 -2.436 -3.615 0.731 1.00 0.00 C ATOM 1030 CE2 PHE A 74 -0.387 -2.858 1.704 1.00 0.00 C ATOM 1031 CZ PHE A 74 -1.292 -3.873 1.460 1.00 0.00 C ATOM 0 H PHE A 74 -2.529 2.143 -1.280 1.00 0.00 H new ATOM 0 HA PHE A 74 -0.623 0.185 -1.652 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -1.451 0.784 0.538 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -3.087 0.315 0.120 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -3.571 -2.144 -0.319 1.00 0.00 H new ATOM 0 HD2 PHE A 74 0.078 -0.795 1.415 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -3.144 -4.407 0.538 1.00 0.00 H new ATOM 0 HE2 PHE A 74 0.510 -3.058 2.272 1.00 0.00 H new ATOM 0 HZ PHE A 74 -1.105 -4.867 1.839 1.00 0.00 H new ATOM 1040 N ILE A 75 -3.660 -0.889 -2.417 1.00 0.00 N ATOM 1041 CA ILE A 75 -4.385 -1.916 -3.154 1.00 0.00 C ATOM 1042 C ILE A 75 -3.909 -1.995 -4.600 1.00 0.00 C ATOM 1043 O ILE A 75 -3.464 -3.045 -5.063 1.00 0.00 O ATOM 1044 CB ILE A 75 -5.903 -1.655 -3.139 1.00 0.00 C ATOM 1045 CG1 ILE A 75 -6.431 -1.671 -1.702 1.00 0.00 C ATOM 1046 CG2 ILE A 75 -6.627 -2.690 -3.987 1.00 0.00 C ATOM 1047 CD1 ILE A 75 -6.156 -2.968 -0.973 1.00 0.00 C ATOM 0 H ILE A 75 -4.253 -0.177 -1.991 1.00 0.00 H new ATOM 0 HA ILE A 75 -4.183 -2.864 -2.655 1.00 0.00 H new ATOM 0 HB ILE A 75 -6.092 -0.669 -3.565 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -5.978 -0.849 -1.148 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -7.506 -1.492 -1.716 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -7.699 -2.492 -3.966 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -6.267 -2.634 -5.015 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -6.434 -3.686 -3.589 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -6.557 -2.909 0.039 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -6.632 -3.792 -1.505 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -5.080 -3.139 -0.927 1.00 0.00 H new ATOM 1058 N LYS A 76 -4.003 -0.876 -5.310 1.00 0.00 N ATOM 1059 CA LYS A 76 -3.580 -0.814 -6.703 1.00 0.00 C ATOM 1060 C LYS A 76 -2.143 -1.302 -6.857 1.00 0.00 C ATOM 1061 O LYS A 76 -1.775 -1.862 -7.891 1.00 0.00 O ATOM 1062 CB LYS A 76 -3.702 0.616 -7.233 1.00 0.00 C ATOM 1063 CG LYS A 76 -3.031 0.826 -8.579 1.00 0.00 C ATOM 1064 CD LYS A 76 -3.666 -0.035 -9.660 1.00 0.00 C ATOM 1065 CE LYS A 76 -5.105 0.378 -9.927 1.00 0.00 C ATOM 1066 NZ LYS A 76 -5.211 1.817 -10.295 1.00 0.00 N ATOM 0 H LYS A 76 -4.369 0.002 -4.942 1.00 0.00 H new ATOM 0 HA LYS A 76 -4.232 -1.467 -7.283 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -4.758 0.874 -7.319 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -3.264 1.302 -6.508 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -3.101 1.876 -8.861 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -1.970 0.587 -8.499 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -3.086 0.047 -10.579 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -3.637 -1.082 -9.357 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -5.515 -0.233 -10.731 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -5.709 0.185 -9.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -6.140 1.998 -10.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -5.106 2.402 -9.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -4.461 2.058 -10.975 1.00 0.00 H new ATOM 1076 N ILE A 77 -1.337 -1.089 -5.824 1.00 0.00 N ATOM 1077 CA ILE A 77 0.059 -1.510 -5.843 1.00 0.00 C ATOM 1078 C ILE A 77 0.182 -3.016 -5.634 1.00 0.00 C ATOM 1079 O ILE A 77 0.926 -3.693 -6.343 1.00 0.00 O ATOM 1080 CB ILE A 77 0.882 -0.784 -4.762 1.00 0.00 C ATOM 1081 CG1 ILE A 77 1.008 0.703 -5.101 1.00 0.00 C ATOM 1082 CG2 ILE A 77 2.257 -1.422 -4.626 1.00 0.00 C ATOM 1083 CD1 ILE A 77 1.189 1.585 -3.886 1.00 0.00 C ATOM 0 H ILE A 77 -1.626 -0.627 -4.962 1.00 0.00 H new ATOM 0 HA ILE A 77 0.454 -1.248 -6.825 1.00 0.00 H new ATOM 0 HB ILE A 77 0.365 -0.877 -3.807 1.00 0.00 H new ATOM 0 HG12 ILE A 77 1.855 0.844 -5.772 1.00 0.00 H new ATOM 0 HG13 ILE A 77 0.117 1.021 -5.642 1.00 0.00 H new ATOM 0 HG21 ILE A 77 2.827 -0.898 -3.859 1.00 0.00 H new ATOM 0 HG22 ILE A 77 2.146 -2.469 -4.344 1.00 0.00 H new ATOM 0 HG23 ILE A 77 2.784 -1.356 -5.578 1.00 0.00 H new ATOM 0 HD11 ILE A 77 1.271 2.625 -4.201 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.330 1.473 -3.224 1.00 0.00 H new ATOM 0 HD13 ILE A 77 2.096 1.293 -3.356 1.00 0.00 H new ATOM 1094 N PHE A 78 -0.554 -3.534 -4.656 1.00 0.00 N ATOM 1095 CA PHE A 78 -0.528 -4.961 -4.354 1.00 0.00 C ATOM 1096 C PHE A 78 -1.015 -5.777 -5.546 1.00 0.00 C ATOM 1097 O PHE A 78 -0.497 -6.860 -5.824 1.00 0.00 O ATOM 1098 CB PHE A 78 -1.396 -5.259 -3.129 1.00 0.00 C ATOM 1099 CG PHE A 78 -1.433 -6.714 -2.761 1.00 0.00 C ATOM 1100 CD1 PHE A 78 -2.628 -7.325 -2.416 1.00 0.00 C ATOM 1101 CD2 PHE A 78 -0.273 -7.472 -2.760 1.00 0.00 C ATOM 1102 CE1 PHE A 78 -2.666 -8.665 -2.077 1.00 0.00 C ATOM 1103 CE2 PHE A 78 -0.304 -8.812 -2.423 1.00 0.00 C ATOM 1104 CZ PHE A 78 -1.502 -9.409 -2.080 1.00 0.00 C ATOM 0 H PHE A 78 -1.175 -2.988 -4.059 1.00 0.00 H new ATOM 0 HA PHE A 78 0.502 -5.244 -4.139 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -1.021 -4.687 -2.280 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -2.412 -4.915 -3.321 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -3.541 -6.748 -2.412 1.00 0.00 H new ATOM 0 HD2 PHE A 78 0.666 -7.010 -3.026 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -3.604 -9.129 -1.810 1.00 0.00 H new ATOM 0 HE2 PHE A 78 0.607 -9.392 -2.428 1.00 0.00 H new ATOM 0 HZ PHE A 78 -1.528 -10.456 -1.815 1.00 0.00 H new ATOM 1113 N HIS A 79 -2.015 -5.253 -6.248 1.00 0.00 N ATOM 1114 CA HIS A 79 -2.572 -5.934 -7.411 1.00 0.00 C ATOM 1115 C HIS A 79 -1.714 -5.685 -8.649 1.00 0.00 C ATOM 1116 O HIS A 79 -1.572 -6.559 -9.503 1.00 0.00 O ATOM 1117 CB HIS A 79 -4.004 -5.464 -7.666 1.00 0.00 C ATOM 1118 CG HIS A 79 -5.032 -6.533 -7.459 1.00 0.00 C ATOM 1119 ND1 HIS A 79 -5.859 -6.988 -8.463 1.00 0.00 N ATOM 1120 CD2 HIS A 79 -5.362 -7.241 -6.352 1.00 0.00 C ATOM 1121 CE1 HIS A 79 -6.655 -7.927 -7.984 1.00 0.00 C ATOM 1122 NE2 HIS A 79 -6.374 -8.100 -6.705 1.00 0.00 N ATOM 0 H HIS A 79 -2.456 -4.359 -6.032 1.00 0.00 H new ATOM 0 HA HIS A 79 -2.580 -7.004 -7.205 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -4.225 -4.626 -7.005 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -4.079 -5.093 -8.688 1.00 0.00 H new ATOM 0 HD1 HIS A 79 -5.857 -6.652 -9.426 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -4.913 -7.147 -5.374 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -7.408 -8.462 -8.543 1.00 0.00 H new ATOM 1129 N GLY A 80 -1.146 -4.486 -8.738 1.00 0.00 N ATOM 1130 CA GLY A 80 -0.311 -4.145 -9.875 1.00 0.00 C ATOM 1131 C GLY A 80 -1.046 -4.273 -11.194 1.00 0.00 C ATOM 1132 O GLY A 80 -0.498 -4.783 -12.172 1.00 0.00 O ATOM 0 H GLY A 80 -1.249 -3.746 -8.044 1.00 0.00 H new ATOM 0 HA2 GLY A 80 0.051 -3.123 -9.762 1.00 0.00 H new ATOM 0 HA3 GLY A 80 0.565 -4.794 -9.886 1.00 0.00 H new ATOM 1136 N LEU A 81 -2.291 -3.811 -11.223 1.00 0.00 N ATOM 1137 CA LEU A 81 -3.105 -3.878 -12.432 1.00 0.00 C ATOM 1138 C LEU A 81 -3.926 -2.605 -12.607 1.00 0.00 C ATOM 1139 O LEU A 81 -4.539 -2.113 -11.659 1.00 0.00 O ATOM 1140 CB LEU A 81 -4.032 -5.093 -12.380 1.00 0.00 C ATOM 1141 CG LEU A 81 -3.362 -6.457 -12.558 1.00 0.00 C ATOM 1142 CD1 LEU A 81 -3.950 -7.471 -11.589 1.00 0.00 C ATOM 1143 CD2 LEU A 81 -3.510 -6.940 -13.994 1.00 0.00 C ATOM 0 H LEU A 81 -2.759 -3.386 -10.423 1.00 0.00 H new ATOM 0 HA LEU A 81 -2.435 -3.976 -13.286 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -4.551 -5.088 -11.422 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -4.791 -4.979 -13.154 1.00 0.00 H new ATOM 0 HG LEU A 81 -2.300 -6.350 -12.339 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -3.461 -8.435 -11.730 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -3.792 -7.130 -10.566 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -5.019 -7.575 -11.776 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -3.028 -7.911 -14.103 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -4.568 -7.031 -14.240 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -3.040 -6.224 -14.669 1.00 0.00 H new ATOM 1154 N LYS A 82 -3.935 -2.076 -13.826 1.00 0.00 N ATOM 1155 CA LYS A 82 -4.684 -0.862 -14.128 1.00 0.00 C ATOM 1156 C LYS A 82 -6.144 -1.006 -13.712 1.00 0.00 C ATOM 1157 O LYS A 82 -6.592 -0.374 -12.755 1.00 0.00 O ATOM 1158 CB LYS A 82 -4.598 -0.543 -15.623 1.00 0.00 C ATOM 1159 CG LYS A 82 -3.290 0.111 -16.030 1.00 0.00 C ATOM 1160 CD LYS A 82 -3.440 0.901 -17.320 1.00 0.00 C ATOM 1161 CE LYS A 82 -3.938 2.313 -17.055 1.00 0.00 C ATOM 1162 NZ LYS A 82 -2.965 3.103 -16.250 1.00 0.00 N ATOM 0 H LYS A 82 -3.432 -2.469 -14.621 1.00 0.00 H new ATOM 0 HA LYS A 82 -4.242 -0.042 -13.562 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -4.726 -1.465 -16.191 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -5.424 0.115 -15.894 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -2.950 0.773 -15.234 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -2.524 -0.654 -16.157 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -2.480 0.943 -17.835 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -4.136 0.387 -17.983 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -4.119 2.818 -18.004 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -4.892 2.269 -16.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -3.113 4.118 -16.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -3.105 2.901 -15.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -1.996 2.843 -16.524 1.00 0.00 H new TER 1172 LYS A 82