USER MOD reduce.3.24.130724 H: found=0, std=0, add=586, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 582 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.104 USER MOD Single : A 6 TYR OH : rot 30:sc= -0.298 USER MOD Single : A 7 GLN : amide:sc= -0.013 K(o=-0.013,f=-0.95) USER MOD Single : A 11 CYS SG : rot 180:sc= -0.544 USER MOD Single : A 12 HIS : no HD1:sc= 0 X(o=0,f=-0.0021) USER MOD Single : A 14 CYS SG : rot 180:sc= -0.0327 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 GLN : amide:sc= -0.241 K(o=-0.24,f=-3.2!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot -110:sc= 1.58 USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 77 HIS : no HD1:sc= -0.509 X(o=-0.51,f=-0.26) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 9.119 -2.937 -6.565 1.00 0.00 N ATOM 2 CA MET A 1 8.717 -4.307 -6.298 1.00 0.00 C ATOM 3 C MET A 1 7.951 -4.406 -4.977 1.00 0.00 C ATOM 4 O MET A 1 6.787 -4.806 -4.959 1.00 0.00 O ATOM 5 CB MET A 1 9.958 -5.201 -6.236 1.00 0.00 C ATOM 6 CG MET A 1 10.429 -5.581 -7.641 1.00 0.00 C ATOM 7 SD MET A 1 11.785 -6.738 -7.538 1.00 0.00 S ATOM 8 CE MET A 1 12.848 -6.084 -8.813 1.00 0.00 C ATOM 0 H1 MET A 1 9.637 -2.896 -7.466 1.00 0.00 H new ATOM 0 H2 MET A 1 8.275 -2.333 -6.623 1.00 0.00 H new ATOM 0 H3 MET A 1 9.734 -2.600 -5.797 1.00 0.00 H new ATOM 0 HA MET A 1 8.060 -4.636 -7.103 1.00 0.00 H new ATOM 0 HB2 MET A 1 10.758 -4.683 -5.708 1.00 0.00 H new ATOM 0 HB3 MET A 1 9.733 -6.103 -5.667 1.00 0.00 H new ATOM 0 HG2 MET A 1 9.606 -6.022 -8.203 1.00 0.00 H new ATOM 0 HG3 MET A 1 10.742 -4.688 -8.182 1.00 0.00 H new ATOM 0 HE1 MET A 1 13.749 -6.693 -8.883 1.00 0.00 H new ATOM 0 HE2 MET A 1 12.323 -6.101 -9.768 1.00 0.00 H new ATOM 0 HE3 MET A 1 13.122 -5.058 -8.567 1.00 0.00 H new ATOM 18 N ALA A 2 8.634 -4.036 -3.904 1.00 0.00 N ATOM 19 CA ALA A 2 8.032 -4.078 -2.582 1.00 0.00 C ATOM 20 C ALA A 2 7.525 -2.682 -2.213 1.00 0.00 C ATOM 21 O ALA A 2 8.208 -1.687 -2.448 1.00 0.00 O ATOM 22 CB ALA A 2 9.051 -4.613 -1.574 1.00 0.00 C ATOM 0 H ALA A 2 9.599 -3.706 -3.923 1.00 0.00 H new ATOM 0 HA ALA A 2 7.177 -4.753 -2.571 1.00 0.00 H new ATOM 0 HB1 ALA A 2 8.600 -4.645 -0.582 1.00 0.00 H new ATOM 0 HB2 ALA A 2 9.358 -5.618 -1.865 1.00 0.00 H new ATOM 0 HB3 ALA A 2 9.922 -3.959 -1.555 1.00 0.00 H new ATOM 28 N LEU A 3 6.330 -2.654 -1.641 1.00 0.00 N ATOM 29 CA LEU A 3 5.723 -1.397 -1.237 1.00 0.00 C ATOM 30 C LEU A 3 5.453 -1.427 0.269 1.00 0.00 C ATOM 31 O LEU A 3 5.779 -2.404 0.942 1.00 0.00 O ATOM 32 CB LEU A 3 4.480 -1.107 -2.079 1.00 0.00 C ATOM 33 CG LEU A 3 4.721 -0.866 -3.571 1.00 0.00 C ATOM 34 CD1 LEU A 3 3.649 -1.554 -4.418 1.00 0.00 C ATOM 35 CD2 LEU A 3 4.820 0.630 -3.875 1.00 0.00 C ATOM 0 H LEU A 3 5.766 -3.482 -1.448 1.00 0.00 H new ATOM 0 HA LEU A 3 6.405 -0.567 -1.423 1.00 0.00 H new ATOM 0 HB2 LEU A 3 3.791 -1.945 -1.973 1.00 0.00 H new ATOM 0 HB3 LEU A 3 3.982 -0.230 -1.665 1.00 0.00 H new ATOM 0 HG LEU A 3 5.678 -1.313 -3.839 1.00 0.00 H new ATOM 0 HD11 LEU A 3 3.844 -1.367 -5.474 1.00 0.00 H new ATOM 0 HD12 LEU A 3 3.670 -2.627 -4.230 1.00 0.00 H new ATOM 0 HD13 LEU A 3 2.668 -1.159 -4.155 1.00 0.00 H new ATOM 0 HD21 LEU A 3 4.991 0.774 -4.942 1.00 0.00 H new ATOM 0 HD22 LEU A 3 3.891 1.122 -3.587 1.00 0.00 H new ATOM 0 HD23 LEU A 3 5.648 1.061 -3.313 1.00 0.00 H new ATOM 47 N THR A 4 4.860 -0.346 0.753 1.00 0.00 N ATOM 48 CA THR A 4 4.542 -0.236 2.166 1.00 0.00 C ATOM 49 C THR A 4 3.162 0.398 2.355 1.00 0.00 C ATOM 50 O THR A 4 2.995 1.600 2.155 1.00 0.00 O ATOM 51 CB THR A 4 5.668 0.547 2.845 1.00 0.00 C ATOM 52 OG1 THR A 4 6.817 -0.279 2.673 1.00 0.00 O ATOM 53 CG2 THR A 4 5.492 0.629 4.363 1.00 0.00 C ATOM 0 H THR A 4 4.591 0.462 0.191 1.00 0.00 H new ATOM 0 HA THR A 4 4.481 -1.218 2.635 1.00 0.00 H new ATOM 0 HB THR A 4 5.711 1.554 2.430 1.00 0.00 H new ATOM 0 HG1 THR A 4 7.595 0.154 3.083 1.00 0.00 H new ATOM 0 HG21 THR A 4 6.318 1.195 4.795 1.00 0.00 H new ATOM 0 HG22 THR A 4 4.551 1.127 4.594 1.00 0.00 H new ATOM 0 HG23 THR A 4 5.482 -0.377 4.783 1.00 0.00 H new ATOM 61 N LEU A 5 2.209 -0.439 2.737 1.00 0.00 N ATOM 62 CA LEU A 5 0.849 0.025 2.955 1.00 0.00 C ATOM 63 C LEU A 5 0.535 -0.014 4.452 1.00 0.00 C ATOM 64 O LEU A 5 0.271 -1.079 5.007 1.00 0.00 O ATOM 65 CB LEU A 5 -0.134 -0.778 2.100 1.00 0.00 C ATOM 66 CG LEU A 5 -1.595 -0.752 2.555 1.00 0.00 C ATOM 67 CD1 LEU A 5 -2.311 0.492 2.027 1.00 0.00 C ATOM 68 CD2 LEU A 5 -2.316 -2.041 2.156 1.00 0.00 C ATOM 0 H LEU A 5 2.351 -1.436 2.901 1.00 0.00 H new ATOM 0 HA LEU A 5 0.744 1.061 2.634 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -0.086 -0.403 1.078 1.00 0.00 H new ATOM 0 HB3 LEU A 5 0.200 -1.815 2.075 1.00 0.00 H new ATOM 0 HG LEU A 5 -1.613 -0.696 3.643 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -3.347 0.486 2.365 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -1.812 1.386 2.402 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -2.284 0.492 0.937 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -3.352 -1.997 2.491 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -2.290 -2.152 1.072 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -1.821 -2.894 2.620 1.00 0.00 H new ATOM 80 N TYR A 6 0.576 1.162 5.063 1.00 0.00 N ATOM 81 CA TYR A 6 0.299 1.276 6.484 1.00 0.00 C ATOM 82 C TYR A 6 -1.160 0.928 6.789 1.00 0.00 C ATOM 83 O TYR A 6 -2.054 1.250 6.009 1.00 0.00 O ATOM 84 CB TYR A 6 0.547 2.742 6.846 1.00 0.00 C ATOM 85 CG TYR A 6 1.978 3.214 6.581 1.00 0.00 C ATOM 86 CD1 TYR A 6 3.018 2.726 7.345 1.00 0.00 C ATOM 87 CD2 TYR A 6 2.228 4.129 5.578 1.00 0.00 C ATOM 88 CE1 TYR A 6 4.365 3.171 7.096 1.00 0.00 C ATOM 89 CE2 TYR A 6 3.575 4.574 5.329 1.00 0.00 C ATOM 90 CZ TYR A 6 4.577 4.073 6.100 1.00 0.00 C ATOM 91 OH TYR A 6 5.849 4.493 5.865 1.00 0.00 O ATOM 0 H TYR A 6 0.797 2.043 4.599 1.00 0.00 H new ATOM 0 HA TYR A 6 0.929 0.592 7.053 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -0.142 3.367 6.278 1.00 0.00 H new ATOM 0 HB3 TYR A 6 0.316 2.889 7.901 1.00 0.00 H new ATOM 0 HD1 TYR A 6 2.822 2.010 8.130 1.00 0.00 H new ATOM 0 HD2 TYR A 6 1.414 4.511 4.980 1.00 0.00 H new ATOM 0 HE1 TYR A 6 5.188 2.797 7.687 1.00 0.00 H new ATOM 0 HE2 TYR A 6 3.785 5.289 4.548 1.00 0.00 H new ATOM 0 HH TYR A 6 6.478 3.779 6.100 1.00 0.00 H new ATOM 101 N GLN A 7 -1.354 0.274 7.925 1.00 0.00 N ATOM 102 CA GLN A 7 -2.688 -0.121 8.342 1.00 0.00 C ATOM 103 C GLN A 7 -2.651 -0.704 9.756 1.00 0.00 C ATOM 104 O GLN A 7 -1.637 -1.260 10.176 1.00 0.00 O ATOM 105 CB GLN A 7 -3.299 -1.117 7.354 1.00 0.00 C ATOM 106 CG GLN A 7 -2.538 -2.443 7.371 1.00 0.00 C ATOM 107 CD GLN A 7 -3.504 -3.630 7.363 1.00 0.00 C ATOM 108 OE1 GLN A 7 -4.320 -3.805 8.252 1.00 0.00 O ATOM 109 NE2 GLN A 7 -3.365 -4.433 6.312 1.00 0.00 N ATOM 0 H GLN A 7 -0.609 0.008 8.569 1.00 0.00 H new ATOM 0 HA GLN A 7 -3.322 0.766 8.352 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -4.345 -1.291 7.607 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -3.280 -0.696 6.349 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -1.880 -2.500 6.504 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -1.904 -2.491 8.256 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -2.661 -4.228 5.603 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -3.963 -5.254 6.215 1.00 0.00 H new ATOM 118 N ARG A 8 -3.770 -0.558 10.452 1.00 0.00 N ATOM 119 CA ARG A 8 -3.878 -1.064 11.810 1.00 0.00 C ATOM 120 C ARG A 8 -5.202 -1.808 11.995 1.00 0.00 C ATOM 121 O ARG A 8 -6.253 -1.185 12.141 1.00 0.00 O ATOM 122 CB ARG A 8 -3.793 0.074 12.829 1.00 0.00 C ATOM 123 CG ARG A 8 -4.846 1.146 12.543 1.00 0.00 C ATOM 124 CD ARG A 8 -5.828 1.274 13.709 1.00 0.00 C ATOM 125 NE ARG A 8 -6.201 2.693 13.903 1.00 0.00 N ATOM 126 CZ ARG A 8 -6.950 3.397 13.044 1.00 0.00 C ATOM 127 NH1 ARG A 8 -7.411 2.819 11.927 1.00 0.00 N ATOM 128 NH2 ARG A 8 -7.239 4.680 13.302 1.00 0.00 N ATOM 0 H ARG A 8 -4.609 -0.097 10.101 1.00 0.00 H new ATOM 0 HA ARG A 8 -3.047 -1.749 11.977 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -3.936 -0.322 13.834 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -2.798 0.519 12.800 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -4.357 2.104 12.368 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -5.389 0.894 11.632 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -6.720 0.679 13.511 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -5.377 0.880 14.620 1.00 0.00 H new ATOM 0 HE ARG A 8 -5.867 3.164 14.743 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -7.192 1.842 11.730 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -7.981 3.355 11.273 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -6.889 5.121 14.153 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -7.809 5.216 12.648 1.00 0.00 H new ATOM 142 N ASP A 9 -5.108 -3.130 11.983 1.00 0.00 N ATOM 143 CA ASP A 9 -6.285 -3.965 12.149 1.00 0.00 C ATOM 144 C ASP A 9 -7.235 -3.739 10.971 1.00 0.00 C ATOM 145 O ASP A 9 -8.098 -2.863 11.024 1.00 0.00 O ATOM 146 CB ASP A 9 -7.034 -3.613 13.435 1.00 0.00 C ATOM 147 CG ASP A 9 -7.795 -4.773 14.079 1.00 0.00 C ATOM 148 OD1 ASP A 9 -8.754 -5.251 13.435 1.00 0.00 O ATOM 149 OD2 ASP A 9 -7.399 -5.157 15.201 1.00 0.00 O ATOM 0 H ASP A 9 -4.235 -3.643 11.861 1.00 0.00 H new ATOM 0 HA ASP A 9 -5.958 -5.004 12.196 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -6.319 -3.221 14.158 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -7.740 -2.811 13.218 1.00 0.00 H new ATOM 154 N ASP A 10 -7.044 -4.543 9.935 1.00 0.00 N ATOM 155 CA ASP A 10 -7.874 -4.441 8.746 1.00 0.00 C ATOM 156 C ASP A 10 -9.271 -4.982 9.057 1.00 0.00 C ATOM 157 O ASP A 10 -9.428 -6.159 9.376 1.00 0.00 O ATOM 158 CB ASP A 10 -7.292 -5.267 7.597 1.00 0.00 C ATOM 159 CG ASP A 10 -8.289 -5.635 6.496 1.00 0.00 C ATOM 160 OD1 ASP A 10 -9.228 -4.836 6.290 1.00 0.00 O ATOM 161 OD2 ASP A 10 -8.090 -6.707 5.886 1.00 0.00 O ATOM 0 H ASP A 10 -6.327 -5.267 9.894 1.00 0.00 H new ATOM 0 HA ASP A 10 -7.916 -3.392 8.452 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -6.469 -4.710 7.150 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -6.870 -6.185 8.006 1.00 0.00 H new ATOM 166 N CYS A 11 -10.250 -4.095 8.951 1.00 0.00 N ATOM 167 CA CYS A 11 -11.629 -4.468 9.217 1.00 0.00 C ATOM 168 C CYS A 11 -12.385 -4.492 7.887 1.00 0.00 C ATOM 169 O CYS A 11 -13.136 -5.427 7.612 1.00 0.00 O ATOM 170 CB CYS A 11 -12.285 -3.527 10.230 1.00 0.00 C ATOM 171 SG CYS A 11 -12.198 -1.801 9.628 1.00 0.00 S ATOM 0 H CYS A 11 -10.116 -3.120 8.685 1.00 0.00 H new ATOM 0 HA CYS A 11 -11.659 -5.459 9.669 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -13.325 -3.815 10.386 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -11.783 -3.610 11.194 1.00 0.00 H new ATOM 0 HG CYS A 11 -12.760 -1.011 10.494 1.00 0.00 H new ATOM 177 N HIS A 12 -12.161 -3.452 7.097 1.00 0.00 N ATOM 178 CA HIS A 12 -12.811 -3.342 5.802 1.00 0.00 C ATOM 179 C HIS A 12 -12.142 -2.235 4.985 1.00 0.00 C ATOM 180 O HIS A 12 -11.606 -2.491 3.908 1.00 0.00 O ATOM 181 CB HIS A 12 -14.317 -3.130 5.967 1.00 0.00 C ATOM 182 CG HIS A 12 -15.135 -3.580 4.781 1.00 0.00 C ATOM 183 ND1 HIS A 12 -15.823 -2.698 3.966 1.00 0.00 N ATOM 184 CD2 HIS A 12 -15.366 -4.828 4.280 1.00 0.00 C ATOM 185 CE1 HIS A 12 -16.438 -3.395 3.021 1.00 0.00 C ATOM 186 NE2 HIS A 12 -16.154 -4.714 3.218 1.00 0.00 N ATOM 0 H HIS A 12 -11.538 -2.678 7.329 1.00 0.00 H new ATOM 0 HA HIS A 12 -12.693 -4.275 5.251 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -14.654 -3.668 6.853 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -14.507 -2.072 6.146 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -14.974 -5.752 4.680 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -17.056 -2.989 2.233 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -16.492 -5.486 2.644 1.00 0.00 H new ATOM 194 N LEU A 13 -12.197 -1.028 5.528 1.00 0.00 N ATOM 195 CA LEU A 13 -11.603 0.119 4.862 1.00 0.00 C ATOM 196 C LEU A 13 -10.215 -0.260 4.342 1.00 0.00 C ATOM 197 O LEU A 13 -9.852 0.087 3.219 1.00 0.00 O ATOM 198 CB LEU A 13 -11.601 1.336 5.790 1.00 0.00 C ATOM 199 CG LEU A 13 -11.054 2.634 5.193 1.00 0.00 C ATOM 200 CD1 LEU A 13 -12.183 3.626 4.909 1.00 0.00 C ATOM 201 CD2 LEU A 13 -9.973 3.238 6.092 1.00 0.00 C ATOM 0 H LEU A 13 -12.643 -0.819 6.421 1.00 0.00 H new ATOM 0 HA LEU A 13 -12.200 0.408 3.997 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -12.623 1.515 6.124 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -11.015 1.092 6.676 1.00 0.00 H new ATOM 0 HG LEU A 13 -10.585 2.399 4.238 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -11.766 4.540 4.485 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -12.885 3.185 4.201 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -12.703 3.861 5.838 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -9.601 4.160 5.645 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -10.395 3.455 7.073 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -9.152 2.530 6.200 1.00 0.00 H new ATOM 213 N CYS A 14 -9.476 -0.968 5.184 1.00 0.00 N ATOM 214 CA CYS A 14 -8.136 -1.398 4.823 1.00 0.00 C ATOM 215 C CYS A 14 -8.253 -2.514 3.783 1.00 0.00 C ATOM 216 O CYS A 14 -7.470 -2.570 2.836 1.00 0.00 O ATOM 217 CB CYS A 14 -7.336 -1.843 6.049 1.00 0.00 C ATOM 218 SG CYS A 14 -7.093 -0.429 7.185 1.00 0.00 S ATOM 0 H CYS A 14 -9.780 -1.254 6.115 1.00 0.00 H new ATOM 0 HA CYS A 14 -7.585 -0.560 4.395 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -7.861 -2.648 6.564 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -6.370 -2.241 5.738 1.00 0.00 H new ATOM 0 HG CYS A 14 -6.415 -0.818 8.223 1.00 0.00 H new ATOM 224 N ASP A 15 -9.238 -3.375 3.993 1.00 0.00 N ATOM 225 CA ASP A 15 -9.468 -4.486 3.086 1.00 0.00 C ATOM 226 C ASP A 15 -9.626 -3.950 1.661 1.00 0.00 C ATOM 227 O ASP A 15 -9.161 -4.570 0.706 1.00 0.00 O ATOM 228 CB ASP A 15 -10.747 -5.241 3.452 1.00 0.00 C ATOM 229 CG ASP A 15 -10.794 -6.697 2.985 1.00 0.00 C ATOM 230 OD1 ASP A 15 -10.190 -7.538 3.686 1.00 0.00 O ATOM 231 OD2 ASP A 15 -11.434 -6.937 1.938 1.00 0.00 O ATOM 0 H ASP A 15 -9.886 -3.325 4.779 1.00 0.00 H new ATOM 0 HA ASP A 15 -8.617 -5.163 3.159 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -10.867 -5.218 4.535 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -11.599 -4.711 3.026 1.00 0.00 H new ATOM 236 N GLN A 16 -10.284 -2.804 1.564 1.00 0.00 N ATOM 237 CA GLN A 16 -10.510 -2.179 0.272 1.00 0.00 C ATOM 238 C GLN A 16 -9.181 -1.730 -0.340 1.00 0.00 C ATOM 239 O GLN A 16 -8.974 -1.858 -1.546 1.00 0.00 O ATOM 240 CB GLN A 16 -11.481 -1.003 0.395 1.00 0.00 C ATOM 241 CG GLN A 16 -12.903 -1.425 0.019 1.00 0.00 C ATOM 242 CD GLN A 16 -13.583 -0.357 -0.840 1.00 0.00 C ATOM 243 OE1 GLN A 16 -13.668 -0.461 -2.053 1.00 0.00 O ATOM 244 NE2 GLN A 16 -14.061 0.672 -0.146 1.00 0.00 N ATOM 0 H GLN A 16 -10.668 -2.292 2.359 1.00 0.00 H new ATOM 0 HA GLN A 16 -10.964 -2.915 -0.392 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -11.469 -0.622 1.416 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -11.156 -0.189 -0.253 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -12.874 -2.370 -0.524 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -13.487 -1.595 0.924 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -13.956 0.696 0.868 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -14.533 1.437 -0.628 1.00 0.00 H new ATOM 253 N ALA A 17 -8.315 -1.214 0.520 1.00 0.00 N ATOM 254 CA ALA A 17 -7.012 -0.746 0.079 1.00 0.00 C ATOM 255 C ALA A 17 -6.252 -1.904 -0.571 1.00 0.00 C ATOM 256 O ALA A 17 -5.725 -1.764 -1.674 1.00 0.00 O ATOM 257 CB ALA A 17 -6.256 -0.146 1.266 1.00 0.00 C ATOM 0 H ALA A 17 -8.490 -1.110 1.519 1.00 0.00 H new ATOM 0 HA ALA A 17 -7.120 0.039 -0.669 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -5.279 0.205 0.935 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -6.823 0.691 1.673 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -6.127 -0.906 2.037 1.00 0.00 H new ATOM 263 N VAL A 18 -6.219 -3.021 0.140 1.00 0.00 N ATOM 264 CA VAL A 18 -5.532 -4.203 -0.354 1.00 0.00 C ATOM 265 C VAL A 18 -6.184 -4.657 -1.662 1.00 0.00 C ATOM 266 O VAL A 18 -5.502 -5.143 -2.563 1.00 0.00 O ATOM 267 CB VAL A 18 -5.527 -5.292 0.721 1.00 0.00 C ATOM 268 CG1 VAL A 18 -4.734 -6.516 0.257 1.00 0.00 C ATOM 269 CG2 VAL A 18 -4.980 -4.754 2.044 1.00 0.00 C ATOM 0 H VAL A 18 -6.657 -3.133 1.054 1.00 0.00 H new ATOM 0 HA VAL A 18 -4.489 -3.976 -0.573 1.00 0.00 H new ATOM 0 HB VAL A 18 -6.558 -5.604 0.887 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -4.746 -7.275 1.039 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -5.186 -6.921 -0.648 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -3.704 -6.225 0.049 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -4.987 -5.548 2.791 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -3.959 -4.402 1.899 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -5.603 -3.928 2.387 1.00 0.00 H new ATOM 279 N GLU A 19 -7.495 -4.481 -1.724 1.00 0.00 N ATOM 280 CA GLU A 19 -8.246 -4.867 -2.907 1.00 0.00 C ATOM 281 C GLU A 19 -7.743 -4.096 -4.130 1.00 0.00 C ATOM 282 O GLU A 19 -7.454 -4.691 -5.167 1.00 0.00 O ATOM 283 CB GLU A 19 -9.746 -4.648 -2.700 1.00 0.00 C ATOM 284 CG GLU A 19 -10.543 -5.889 -3.107 1.00 0.00 C ATOM 285 CD GLU A 19 -11.260 -5.667 -4.441 1.00 0.00 C ATOM 286 OE1 GLU A 19 -12.180 -4.821 -4.456 1.00 0.00 O ATOM 287 OE2 GLU A 19 -10.872 -6.348 -5.414 1.00 0.00 O ATOM 0 H GLU A 19 -8.057 -4.076 -0.975 1.00 0.00 H new ATOM 0 HA GLU A 19 -8.088 -5.931 -3.082 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -9.942 -4.413 -1.654 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -10.076 -3.791 -3.287 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -9.873 -6.745 -3.188 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -11.273 -6.127 -2.333 1.00 0.00 H new ATOM 294 N ALA A 20 -7.654 -2.784 -3.967 1.00 0.00 N ATOM 295 CA ALA A 20 -7.191 -1.926 -5.044 1.00 0.00 C ATOM 296 C ALA A 20 -5.782 -2.352 -5.459 1.00 0.00 C ATOM 297 O ALA A 20 -5.451 -2.345 -6.644 1.00 0.00 O ATOM 298 CB ALA A 20 -7.251 -0.465 -4.595 1.00 0.00 C ATOM 0 H ALA A 20 -7.895 -2.294 -3.105 1.00 0.00 H new ATOM 0 HA ALA A 20 -7.836 -2.024 -5.918 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -6.904 0.179 -5.403 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -8.278 -0.205 -4.340 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -6.614 -0.326 -3.721 1.00 0.00 H new ATOM 304 N LEU A 21 -4.989 -2.712 -4.461 1.00 0.00 N ATOM 305 CA LEU A 21 -3.622 -3.140 -4.708 1.00 0.00 C ATOM 306 C LEU A 21 -3.637 -4.425 -5.538 1.00 0.00 C ATOM 307 O LEU A 21 -3.084 -4.465 -6.636 1.00 0.00 O ATOM 308 CB LEU A 21 -2.855 -3.268 -3.390 1.00 0.00 C ATOM 309 CG LEU A 21 -1.953 -2.088 -3.022 1.00 0.00 C ATOM 310 CD1 LEU A 21 -1.928 -1.868 -1.509 1.00 0.00 C ATOM 311 CD2 LEU A 21 -0.547 -2.272 -3.598 1.00 0.00 C ATOM 0 H LEU A 21 -5.267 -2.716 -3.479 1.00 0.00 H new ATOM 0 HA LEU A 21 -3.087 -2.390 -5.290 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.576 -3.413 -2.586 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.242 -4.168 -3.435 1.00 0.00 H new ATOM 0 HG LEU A 21 -2.370 -1.187 -3.471 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.280 -1.024 -1.275 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.938 -1.659 -1.155 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.549 -2.764 -1.017 1.00 0.00 H new ATOM 0 HD21 LEU A 21 0.074 -1.420 -3.322 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -0.107 -3.186 -3.199 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -0.605 -2.342 -4.684 1.00 0.00 H new ATOM 323 N ALA A 22 -4.275 -5.444 -4.982 1.00 0.00 N ATOM 324 CA ALA A 22 -4.369 -6.727 -5.657 1.00 0.00 C ATOM 325 C ALA A 22 -4.969 -6.523 -7.050 1.00 0.00 C ATOM 326 O ALA A 22 -4.491 -7.100 -8.026 1.00 0.00 O ATOM 327 CB ALA A 22 -5.192 -7.695 -4.804 1.00 0.00 C ATOM 0 H ALA A 22 -4.732 -5.407 -4.071 1.00 0.00 H new ATOM 0 HA ALA A 22 -3.380 -7.166 -5.785 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.262 -8.657 -5.311 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -4.708 -7.829 -3.836 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -6.193 -7.289 -4.656 1.00 0.00 H new ATOM 333 N GLN A 23 -6.006 -5.700 -7.098 1.00 0.00 N ATOM 334 CA GLN A 23 -6.676 -5.413 -8.355 1.00 0.00 C ATOM 335 C GLN A 23 -5.676 -4.867 -9.376 1.00 0.00 C ATOM 336 O GLN A 23 -5.606 -5.355 -10.503 1.00 0.00 O ATOM 337 CB GLN A 23 -7.836 -4.437 -8.147 1.00 0.00 C ATOM 338 CG GLN A 23 -9.109 -5.178 -7.735 1.00 0.00 C ATOM 339 CD GLN A 23 -10.303 -4.731 -8.581 1.00 0.00 C ATOM 340 OE1 GLN A 23 -10.189 -3.910 -9.476 1.00 0.00 O ATOM 341 NE2 GLN A 23 -11.450 -5.314 -8.248 1.00 0.00 N ATOM 0 H GLN A 23 -6.399 -5.223 -6.287 1.00 0.00 H new ATOM 0 HA GLN A 23 -7.092 -6.342 -8.744 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -7.570 -3.709 -7.380 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -8.017 -3.880 -9.066 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -8.961 -6.252 -7.847 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -9.316 -4.993 -6.681 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -11.475 -5.993 -7.488 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -12.305 -5.082 -8.753 1.00 0.00 H new ATOM 350 N ALA A 24 -4.927 -3.862 -8.945 1.00 0.00 N ATOM 351 CA ALA A 24 -3.934 -3.245 -9.808 1.00 0.00 C ATOM 352 C ALA A 24 -2.810 -4.246 -10.081 1.00 0.00 C ATOM 353 O ALA A 24 -1.991 -4.036 -10.975 1.00 0.00 O ATOM 354 CB ALA A 24 -3.424 -1.957 -9.160 1.00 0.00 C ATOM 0 H ALA A 24 -4.988 -3.460 -8.010 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.374 -2.974 -10.768 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -2.679 -1.494 -9.807 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.256 -1.268 -9.015 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -2.972 -2.189 -8.195 1.00 0.00 H new ATOM 360 N ARG A 25 -2.805 -5.312 -9.295 1.00 0.00 N ATOM 361 CA ARG A 25 -1.795 -6.346 -9.441 1.00 0.00 C ATOM 362 C ARG A 25 -0.410 -5.784 -9.114 1.00 0.00 C ATOM 363 O ARG A 25 0.574 -6.127 -9.768 1.00 0.00 O ATOM 364 CB ARG A 25 -1.785 -6.910 -10.863 1.00 0.00 C ATOM 365 CG ARG A 25 -2.661 -8.161 -10.962 1.00 0.00 C ATOM 366 CD ARG A 25 -1.845 -9.366 -11.433 1.00 0.00 C ATOM 367 NE ARG A 25 -2.638 -10.173 -12.387 1.00 0.00 N ATOM 368 CZ ARG A 25 -2.104 -10.998 -13.298 1.00 0.00 C ATOM 369 NH1 ARG A 25 -0.773 -11.129 -13.385 1.00 0.00 N ATOM 370 NH2 ARG A 25 -2.900 -11.691 -14.123 1.00 0.00 N ATOM 0 H ARG A 25 -3.485 -5.482 -8.554 1.00 0.00 H new ATOM 0 HA ARG A 25 -2.040 -7.149 -8.746 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -2.144 -6.154 -11.561 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -0.763 -7.153 -11.155 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -3.106 -8.376 -9.990 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -3.482 -7.980 -11.655 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -0.924 -9.029 -11.908 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -1.558 -9.978 -10.578 1.00 0.00 H new ATOM 0 HE ARG A 25 -3.654 -10.096 -12.349 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -0.166 -10.601 -12.758 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -0.367 -11.757 -14.078 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -3.913 -11.591 -14.058 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -2.493 -12.319 -14.816 1.00 0.00 H new ATOM 384 N ALA A 26 -0.377 -4.929 -8.101 1.00 0.00 N ATOM 385 CA ALA A 26 0.871 -4.317 -7.679 1.00 0.00 C ATOM 386 C ALA A 26 1.937 -5.402 -7.516 1.00 0.00 C ATOM 387 O ALA A 26 2.961 -5.378 -8.196 1.00 0.00 O ATOM 388 CB ALA A 26 0.641 -3.526 -6.390 1.00 0.00 C ATOM 0 H ALA A 26 -1.195 -4.646 -7.561 1.00 0.00 H new ATOM 0 HA ALA A 26 1.229 -3.615 -8.432 1.00 0.00 H new ATOM 0 HB1 ALA A 26 1.577 -3.067 -6.073 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -0.103 -2.749 -6.568 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.284 -4.198 -5.610 1.00 0.00 H new ATOM 394 N GLY A 27 1.660 -6.327 -6.609 1.00 0.00 N ATOM 395 CA GLY A 27 2.583 -7.419 -6.347 1.00 0.00 C ATOM 396 C GLY A 27 2.724 -7.668 -4.844 1.00 0.00 C ATOM 397 O GLY A 27 1.734 -7.664 -4.115 1.00 0.00 O ATOM 0 H GLY A 27 0.810 -6.343 -6.046 1.00 0.00 H new ATOM 0 HA2 GLY A 27 2.229 -8.325 -6.838 1.00 0.00 H new ATOM 0 HA3 GLY A 27 3.558 -7.186 -6.774 1.00 0.00 H new ATOM 401 N ALA A 28 3.964 -7.880 -4.427 1.00 0.00 N ATOM 402 CA ALA A 28 4.248 -8.131 -3.024 1.00 0.00 C ATOM 403 C ALA A 28 4.725 -6.835 -2.365 1.00 0.00 C ATOM 404 O ALA A 28 5.258 -5.952 -3.036 1.00 0.00 O ATOM 405 CB ALA A 28 5.275 -9.258 -2.905 1.00 0.00 C ATOM 0 H ALA A 28 4.783 -7.883 -5.036 1.00 0.00 H new ATOM 0 HA ALA A 28 3.348 -8.454 -2.502 1.00 0.00 H new ATOM 0 HB1 ALA A 28 5.488 -9.446 -1.853 1.00 0.00 H new ATOM 0 HB2 ALA A 28 4.876 -10.164 -3.362 1.00 0.00 H new ATOM 0 HB3 ALA A 28 6.194 -8.968 -3.415 1.00 0.00 H new ATOM 411 N PHE A 29 4.518 -6.762 -1.058 1.00 0.00 N ATOM 412 CA PHE A 29 4.920 -5.589 -0.301 1.00 0.00 C ATOM 413 C PHE A 29 4.967 -5.893 1.198 1.00 0.00 C ATOM 414 O PHE A 29 4.685 -7.015 1.616 1.00 0.00 O ATOM 415 CB PHE A 29 3.869 -4.508 -0.558 1.00 0.00 C ATOM 416 CG PHE A 29 2.432 -4.962 -0.291 1.00 0.00 C ATOM 417 CD1 PHE A 29 1.947 -4.973 0.980 1.00 0.00 C ATOM 418 CD2 PHE A 29 1.640 -5.354 -1.324 1.00 0.00 C ATOM 419 CE1 PHE A 29 0.614 -5.394 1.227 1.00 0.00 C ATOM 420 CE2 PHE A 29 0.306 -5.776 -1.077 1.00 0.00 C ATOM 421 CZ PHE A 29 -0.178 -5.787 0.194 1.00 0.00 C ATOM 0 H PHE A 29 4.077 -7.496 -0.504 1.00 0.00 H new ATOM 0 HA PHE A 29 5.915 -5.270 -0.611 1.00 0.00 H new ATOM 0 HB2 PHE A 29 4.089 -3.645 0.070 1.00 0.00 H new ATOM 0 HB3 PHE A 29 3.948 -4.177 -1.594 1.00 0.00 H new ATOM 0 HD1 PHE A 29 2.576 -4.662 1.801 1.00 0.00 H new ATOM 0 HD2 PHE A 29 2.025 -5.345 -2.333 1.00 0.00 H new ATOM 0 HE1 PHE A 29 0.229 -5.402 2.236 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -0.323 -6.088 -1.898 1.00 0.00 H new ATOM 0 HZ PHE A 29 -1.192 -6.108 0.383 1.00 0.00 H new ATOM 431 N PHE A 30 5.324 -4.874 1.965 1.00 0.00 N ATOM 432 CA PHE A 30 5.410 -5.018 3.408 1.00 0.00 C ATOM 433 C PHE A 30 4.327 -4.194 4.108 1.00 0.00 C ATOM 434 O PHE A 30 3.999 -3.093 3.668 1.00 0.00 O ATOM 435 CB PHE A 30 6.785 -4.493 3.829 1.00 0.00 C ATOM 436 CG PHE A 30 7.958 -5.281 3.241 1.00 0.00 C ATOM 437 CD1 PHE A 30 8.020 -6.629 3.403 1.00 0.00 C ATOM 438 CD2 PHE A 30 8.938 -4.632 2.558 1.00 0.00 C ATOM 439 CE1 PHE A 30 9.108 -7.360 2.858 1.00 0.00 C ATOM 440 CE2 PHE A 30 10.027 -5.363 2.013 1.00 0.00 C ATOM 441 CZ PHE A 30 10.089 -6.712 2.174 1.00 0.00 C ATOM 0 H PHE A 30 5.557 -3.945 1.614 1.00 0.00 H new ATOM 0 HA PHE A 30 5.270 -6.063 3.686 1.00 0.00 H new ATOM 0 HB2 PHE A 30 6.873 -3.450 3.526 1.00 0.00 H new ATOM 0 HB3 PHE A 30 6.854 -4.516 4.917 1.00 0.00 H new ATOM 0 HD1 PHE A 30 7.242 -7.144 3.946 1.00 0.00 H new ATOM 0 HD2 PHE A 30 8.888 -3.561 2.430 1.00 0.00 H new ATOM 0 HE1 PHE A 30 9.157 -8.431 2.987 1.00 0.00 H new ATOM 0 HE2 PHE A 30 10.806 -4.848 1.471 1.00 0.00 H new ATOM 0 HZ PHE A 30 10.916 -7.268 1.759 1.00 0.00 H new ATOM 451 N SER A 31 3.802 -4.759 5.185 1.00 0.00 N ATOM 452 CA SER A 31 2.763 -4.090 5.949 1.00 0.00 C ATOM 453 C SER A 31 3.359 -3.476 7.217 1.00 0.00 C ATOM 454 O SER A 31 4.240 -4.065 7.841 1.00 0.00 O ATOM 455 CB SER A 31 1.634 -5.059 6.308 1.00 0.00 C ATOM 456 OG SER A 31 0.349 -4.466 6.142 1.00 0.00 O ATOM 0 H SER A 31 4.077 -5.672 5.547 1.00 0.00 H new ATOM 0 HA SER A 31 2.342 -3.296 5.332 1.00 0.00 H new ATOM 0 HB2 SER A 31 1.707 -5.948 5.682 1.00 0.00 H new ATOM 0 HB3 SER A 31 1.752 -5.386 7.341 1.00 0.00 H new ATOM 0 HG SER A 31 -0.345 -5.116 6.379 1.00 0.00 H new ATOM 462 N VAL A 32 2.854 -2.300 7.560 1.00 0.00 N ATOM 463 CA VAL A 32 3.326 -1.600 8.743 1.00 0.00 C ATOM 464 C VAL A 32 2.125 -1.169 9.588 1.00 0.00 C ATOM 465 O VAL A 32 1.148 -0.641 9.060 1.00 0.00 O ATOM 466 CB VAL A 32 4.221 -0.428 8.335 1.00 0.00 C ATOM 467 CG1 VAL A 32 4.619 0.408 9.553 1.00 0.00 C ATOM 468 CG2 VAL A 32 5.458 -0.920 7.580 1.00 0.00 C ATOM 0 H VAL A 32 2.123 -1.814 7.040 1.00 0.00 H new ATOM 0 HA VAL A 32 3.937 -2.260 9.359 1.00 0.00 H new ATOM 0 HB VAL A 32 3.650 0.211 7.662 1.00 0.00 H new ATOM 0 HG11 VAL A 32 5.255 1.234 9.235 1.00 0.00 H new ATOM 0 HG12 VAL A 32 3.723 0.803 10.032 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.163 -0.217 10.261 1.00 0.00 H new ATOM 0 HG21 VAL A 32 6.077 -0.067 7.301 1.00 0.00 H new ATOM 0 HG22 VAL A 32 6.031 -1.591 8.219 1.00 0.00 H new ATOM 0 HG23 VAL A 32 5.148 -1.452 6.681 1.00 0.00 H new ATOM 478 N PHE A 33 2.238 -1.410 10.886 1.00 0.00 N ATOM 479 CA PHE A 33 1.174 -1.054 11.809 1.00 0.00 C ATOM 480 C PHE A 33 1.496 0.252 12.538 1.00 0.00 C ATOM 481 O PHE A 33 2.619 0.448 13.001 1.00 0.00 O ATOM 482 CB PHE A 33 1.074 -2.185 12.834 1.00 0.00 C ATOM 483 CG PHE A 33 1.056 -3.585 12.216 1.00 0.00 C ATOM 484 CD1 PHE A 33 0.105 -3.912 11.301 1.00 0.00 C ATOM 485 CD2 PHE A 33 1.992 -4.501 12.582 1.00 0.00 C ATOM 486 CE1 PHE A 33 0.089 -5.211 10.727 1.00 0.00 C ATOM 487 CE2 PHE A 33 1.976 -5.800 12.009 1.00 0.00 C ATOM 488 CZ PHE A 33 1.024 -6.128 11.093 1.00 0.00 C ATOM 0 H PHE A 33 3.051 -1.848 11.320 1.00 0.00 H new ATOM 0 HA PHE A 33 0.240 -0.915 11.265 1.00 0.00 H new ATOM 0 HB2 PHE A 33 1.916 -2.114 13.522 1.00 0.00 H new ATOM 0 HB3 PHE A 33 0.168 -2.048 13.424 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -0.638 -3.184 11.011 1.00 0.00 H new ATOM 0 HD2 PHE A 33 2.747 -4.240 13.308 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -0.666 -5.471 10.000 1.00 0.00 H new ATOM 0 HE2 PHE A 33 2.719 -6.528 12.300 1.00 0.00 H new ATOM 0 HZ PHE A 33 1.011 -7.116 10.657 1.00 0.00 H new ATOM 498 N ILE A 34 0.491 1.111 12.618 1.00 0.00 N ATOM 499 CA ILE A 34 0.653 2.393 13.283 1.00 0.00 C ATOM 500 C ILE A 34 0.322 2.237 14.769 1.00 0.00 C ATOM 501 O ILE A 34 0.658 3.101 15.578 1.00 0.00 O ATOM 502 CB ILE A 34 -0.175 3.470 12.579 1.00 0.00 C ATOM 503 CG1 ILE A 34 -1.659 3.333 12.923 1.00 0.00 C ATOM 504 CG2 ILE A 34 0.068 3.449 11.069 1.00 0.00 C ATOM 505 CD1 ILE A 34 -2.392 4.662 12.728 1.00 0.00 C ATOM 0 H ILE A 34 -0.439 0.945 12.233 1.00 0.00 H new ATOM 0 HA ILE A 34 1.689 2.727 13.219 1.00 0.00 H new ATOM 0 HB ILE A 34 0.151 4.444 12.944 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -2.113 2.568 12.293 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -1.768 3.002 13.956 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -0.533 4.224 10.593 1.00 0.00 H new ATOM 0 HG22 ILE A 34 1.123 3.633 10.868 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -0.213 2.475 10.669 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.445 4.537 12.979 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -1.952 5.419 13.377 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -2.302 4.978 11.689 1.00 0.00 H new ATOM 517 N ASP A 35 -0.332 1.128 15.084 1.00 0.00 N ATOM 518 CA ASP A 35 -0.711 0.848 16.458 1.00 0.00 C ATOM 519 C ASP A 35 0.520 0.968 17.357 1.00 0.00 C ATOM 520 O ASP A 35 1.648 1.018 16.868 1.00 0.00 O ATOM 521 CB ASP A 35 -1.262 -0.573 16.598 1.00 0.00 C ATOM 522 CG ASP A 35 -0.202 -1.667 16.735 1.00 0.00 C ATOM 523 OD1 ASP A 35 0.779 -1.607 15.962 1.00 0.00 O ATOM 524 OD2 ASP A 35 -0.395 -2.539 17.609 1.00 0.00 O ATOM 0 H ASP A 35 -0.609 0.413 14.411 1.00 0.00 H new ATOM 0 HA ASP A 35 -1.480 1.564 16.748 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -1.915 -0.609 17.470 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -1.880 -0.794 15.728 1.00 0.00 H new ATOM 529 N ASP A 36 0.263 1.011 18.656 1.00 0.00 N ATOM 530 CA ASP A 36 1.337 1.125 19.629 1.00 0.00 C ATOM 531 C ASP A 36 2.373 2.131 19.123 1.00 0.00 C ATOM 532 O ASP A 36 3.542 1.791 18.953 1.00 0.00 O ATOM 533 CB ASP A 36 2.042 -0.218 19.830 1.00 0.00 C ATOM 534 CG ASP A 36 1.374 -1.153 20.840 1.00 0.00 C ATOM 535 OD1 ASP A 36 0.355 -0.725 21.422 1.00 0.00 O ATOM 536 OD2 ASP A 36 1.899 -2.276 21.007 1.00 0.00 O ATOM 0 H ASP A 36 -0.674 0.969 19.058 1.00 0.00 H new ATOM 0 HA ASP A 36 0.903 1.450 20.574 1.00 0.00 H new ATOM 0 HB2 ASP A 36 2.101 -0.728 18.869 1.00 0.00 H new ATOM 0 HB3 ASP A 36 3.066 -0.029 20.154 1.00 0.00 H new ATOM 541 N ASP A 37 1.905 3.350 18.896 1.00 0.00 N ATOM 542 CA ASP A 37 2.776 4.408 18.413 1.00 0.00 C ATOM 543 C ASP A 37 1.934 5.637 18.066 1.00 0.00 C ATOM 544 O ASP A 37 1.409 5.742 16.958 1.00 0.00 O ATOM 545 CB ASP A 37 3.522 3.974 17.150 1.00 0.00 C ATOM 546 CG ASP A 37 5.013 4.314 17.131 1.00 0.00 C ATOM 547 OD1 ASP A 37 5.335 5.476 17.462 1.00 0.00 O ATOM 548 OD2 ASP A 37 5.799 3.405 16.785 1.00 0.00 O ATOM 0 H ASP A 37 0.934 3.628 19.038 1.00 0.00 H new ATOM 0 HA ASP A 37 3.498 4.635 19.198 1.00 0.00 H new ATOM 0 HB2 ASP A 37 3.409 2.896 17.032 1.00 0.00 H new ATOM 0 HB3 ASP A 37 3.047 4.441 16.287 1.00 0.00 H new ATOM 553 N ALA A 38 1.830 6.537 19.033 1.00 0.00 N ATOM 554 CA ALA A 38 1.061 7.755 18.843 1.00 0.00 C ATOM 555 C ALA A 38 1.653 8.551 17.679 1.00 0.00 C ATOM 556 O ALA A 38 0.920 9.173 16.911 1.00 0.00 O ATOM 557 CB ALA A 38 1.042 8.555 20.147 1.00 0.00 C ATOM 0 H ALA A 38 2.266 6.447 19.951 1.00 0.00 H new ATOM 0 HA ALA A 38 0.027 7.520 18.589 1.00 0.00 H new ATOM 0 HB1 ALA A 38 0.465 9.469 20.005 1.00 0.00 H new ATOM 0 HB2 ALA A 38 0.585 7.956 20.935 1.00 0.00 H new ATOM 0 HB3 ALA A 38 2.063 8.811 20.432 1.00 0.00 H new ATOM 563 N ALA A 39 2.974 8.506 17.584 1.00 0.00 N ATOM 564 CA ALA A 39 3.673 9.215 16.526 1.00 0.00 C ATOM 565 C ALA A 39 3.042 8.861 15.177 1.00 0.00 C ATOM 566 O ALA A 39 2.784 9.742 14.359 1.00 0.00 O ATOM 567 CB ALA A 39 5.163 8.873 16.580 1.00 0.00 C ATOM 0 H ALA A 39 3.579 7.989 18.223 1.00 0.00 H new ATOM 0 HA ALA A 39 3.581 10.293 16.661 1.00 0.00 H new ATOM 0 HB1 ALA A 39 5.687 9.405 15.786 1.00 0.00 H new ATOM 0 HB2 ALA A 39 5.570 9.171 17.546 1.00 0.00 H new ATOM 0 HB3 ALA A 39 5.295 7.799 16.446 1.00 0.00 H new ATOM 573 N LEU A 40 2.813 7.570 14.988 1.00 0.00 N ATOM 574 CA LEU A 40 2.218 7.089 13.753 1.00 0.00 C ATOM 575 C LEU A 40 0.740 7.485 13.716 1.00 0.00 C ATOM 576 O LEU A 40 0.181 7.712 12.645 1.00 0.00 O ATOM 577 CB LEU A 40 2.457 5.586 13.593 1.00 0.00 C ATOM 578 CG LEU A 40 3.919 5.142 13.532 1.00 0.00 C ATOM 579 CD1 LEU A 40 4.030 3.617 13.549 1.00 0.00 C ATOM 580 CD2 LEU A 40 4.629 5.755 12.323 1.00 0.00 C ATOM 0 H LEU A 40 3.029 6.842 15.669 1.00 0.00 H new ATOM 0 HA LEU A 40 2.695 7.557 12.892 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.976 5.071 14.425 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.959 5.254 12.682 1.00 0.00 H new ATOM 0 HG LEU A 40 4.425 5.512 14.424 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.080 3.328 13.505 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.586 3.230 14.466 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.504 3.204 12.688 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.667 5.423 12.304 1.00 0.00 H new ATOM 0 HD22 LEU A 40 4.129 5.437 11.408 1.00 0.00 H new ATOM 0 HD23 LEU A 40 4.597 6.842 12.395 1.00 0.00 H new ATOM 592 N GLU A 41 0.150 7.554 14.901 1.00 0.00 N ATOM 593 CA GLU A 41 -1.252 7.918 15.018 1.00 0.00 C ATOM 594 C GLU A 41 -1.459 9.376 14.602 1.00 0.00 C ATOM 595 O GLU A 41 -2.341 9.677 13.799 1.00 0.00 O ATOM 596 CB GLU A 41 -1.765 7.676 16.438 1.00 0.00 C ATOM 597 CG GLU A 41 -1.783 6.182 16.767 1.00 0.00 C ATOM 598 CD GLU A 41 -2.772 5.880 17.895 1.00 0.00 C ATOM 599 OE1 GLU A 41 -3.949 5.621 17.564 1.00 0.00 O ATOM 600 OE2 GLU A 41 -2.329 5.916 19.063 1.00 0.00 O ATOM 0 H GLU A 41 0.617 7.364 15.788 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.829 7.283 14.345 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.131 8.202 17.152 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -2.769 8.087 16.541 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -2.056 5.614 15.878 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -0.784 5.858 17.058 1.00 0.00 H new ATOM 607 N SER A 42 -0.630 10.242 15.166 1.00 0.00 N ATOM 608 CA SER A 42 -0.711 11.661 14.864 1.00 0.00 C ATOM 609 C SER A 42 -0.212 11.922 13.441 1.00 0.00 C ATOM 610 O SER A 42 -0.656 12.865 12.787 1.00 0.00 O ATOM 611 CB SER A 42 0.097 12.485 15.869 1.00 0.00 C ATOM 612 OG SER A 42 -0.685 13.519 16.462 1.00 0.00 O ATOM 0 H SER A 42 0.101 9.988 15.830 1.00 0.00 H new ATOM 0 HA SER A 42 -1.754 11.968 14.939 1.00 0.00 H new ATOM 0 HB2 SER A 42 0.482 11.829 16.649 1.00 0.00 H new ATOM 0 HB3 SER A 42 0.959 12.925 15.368 1.00 0.00 H new ATOM 0 HG SER A 42 -0.135 14.021 17.099 1.00 0.00 H new ATOM 618 N ALA A 43 0.704 11.071 13.004 1.00 0.00 N ATOM 619 CA ALA A 43 1.267 11.198 11.670 1.00 0.00 C ATOM 620 C ALA A 43 0.204 10.828 10.635 1.00 0.00 C ATOM 621 O ALA A 43 0.046 11.518 9.628 1.00 0.00 O ATOM 622 CB ALA A 43 2.518 10.324 11.559 1.00 0.00 C ATOM 0 H ALA A 43 1.071 10.291 13.549 1.00 0.00 H new ATOM 0 HA ALA A 43 1.570 12.227 11.478 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.941 10.419 10.559 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.254 10.646 12.296 1.00 0.00 H new ATOM 0 HB3 ALA A 43 2.252 9.283 11.743 1.00 0.00 H new ATOM 628 N TYR A 44 -0.498 9.741 10.916 1.00 0.00 N ATOM 629 CA TYR A 44 -1.542 9.271 10.022 1.00 0.00 C ATOM 630 C TYR A 44 -2.911 9.320 10.703 1.00 0.00 C ATOM 631 O TYR A 44 -3.780 10.095 10.304 1.00 0.00 O ATOM 632 CB TYR A 44 -1.198 7.815 9.700 1.00 0.00 C ATOM 633 CG TYR A 44 0.125 7.639 8.952 1.00 0.00 C ATOM 634 CD1 TYR A 44 0.277 8.167 7.686 1.00 0.00 C ATOM 635 CD2 TYR A 44 1.165 6.953 9.543 1.00 0.00 C ATOM 636 CE1 TYR A 44 1.523 8.002 6.982 1.00 0.00 C ATOM 637 CE2 TYR A 44 2.411 6.787 8.839 1.00 0.00 C ATOM 638 CZ TYR A 44 2.528 7.320 7.593 1.00 0.00 C ATOM 639 OH TYR A 44 3.704 7.164 6.929 1.00 0.00 O ATOM 0 H TYR A 44 -0.364 9.171 11.751 1.00 0.00 H new ATOM 0 HA TYR A 44 -1.593 9.896 9.130 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -1.156 7.248 10.630 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -2.002 7.386 9.101 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -0.538 8.704 7.223 1.00 0.00 H new ATOM 0 HD2 TYR A 44 1.045 6.540 10.534 1.00 0.00 H new ATOM 0 HE1 TYR A 44 1.656 8.411 5.991 1.00 0.00 H new ATOM 0 HE2 TYR A 44 3.233 6.252 9.290 1.00 0.00 H new ATOM 0 HH TYR A 44 3.808 6.226 6.663 1.00 0.00 H new ATOM 649 N GLY A 45 -3.062 8.483 11.719 1.00 0.00 N ATOM 650 CA GLY A 45 -4.311 8.422 12.459 1.00 0.00 C ATOM 651 C GLY A 45 -5.460 7.967 11.558 1.00 0.00 C ATOM 652 O GLY A 45 -5.897 6.819 11.635 1.00 0.00 O ATOM 0 H GLY A 45 -2.340 7.841 12.047 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -4.208 7.734 13.298 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -4.538 9.403 12.877 1.00 0.00 H new ATOM 656 N LEU A 46 -5.918 8.890 10.725 1.00 0.00 N ATOM 657 CA LEU A 46 -7.008 8.598 9.810 1.00 0.00 C ATOM 658 C LEU A 46 -6.434 8.202 8.449 1.00 0.00 C ATOM 659 O LEU A 46 -7.098 7.528 7.663 1.00 0.00 O ATOM 660 CB LEU A 46 -7.984 9.775 9.748 1.00 0.00 C ATOM 661 CG LEU A 46 -9.306 9.591 10.495 1.00 0.00 C ATOM 662 CD1 LEU A 46 -10.245 8.657 9.728 1.00 0.00 C ATOM 663 CD2 LEU A 46 -9.064 9.109 11.927 1.00 0.00 C ATOM 0 H LEU A 46 -5.554 9.841 10.665 1.00 0.00 H new ATOM 0 HA LEU A 46 -7.590 7.749 10.169 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -7.484 10.657 10.147 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -8.207 9.981 8.701 1.00 0.00 H new ATOM 0 HG LEU A 46 -9.799 10.561 10.560 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -11.177 8.544 10.281 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -10.455 9.079 8.745 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -9.772 7.682 9.610 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -10.020 8.986 12.436 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -8.539 8.154 11.906 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -8.460 9.843 12.461 1.00 0.00 H new ATOM 675 N ARG A 47 -5.206 8.639 8.211 1.00 0.00 N ATOM 676 CA ARG A 47 -4.535 8.338 6.957 1.00 0.00 C ATOM 677 C ARG A 47 -3.691 7.070 7.098 1.00 0.00 C ATOM 678 O ARG A 47 -2.588 6.990 6.559 1.00 0.00 O ATOM 679 CB ARG A 47 -3.634 9.496 6.524 1.00 0.00 C ATOM 680 CG ARG A 47 -4.451 10.769 6.291 1.00 0.00 C ATOM 681 CD ARG A 47 -4.049 11.866 7.279 1.00 0.00 C ATOM 682 NE ARG A 47 -4.250 13.198 6.666 1.00 0.00 N ATOM 683 CZ ARG A 47 -3.833 14.348 7.213 1.00 0.00 C ATOM 684 NH1 ARG A 47 -3.191 14.336 8.389 1.00 0.00 N ATOM 685 NH2 ARG A 47 -4.059 15.510 6.585 1.00 0.00 N ATOM 0 H ARG A 47 -4.658 9.199 8.865 1.00 0.00 H new ATOM 0 HA ARG A 47 -5.302 8.185 6.198 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -2.879 9.679 7.288 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -3.104 9.227 5.610 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -4.300 11.121 5.270 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -5.513 10.549 6.399 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -4.643 11.782 8.189 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -3.005 11.743 7.567 1.00 0.00 H new ATOM 0 HE ARG A 47 -4.737 13.243 5.771 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -3.020 13.452 8.868 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -2.873 15.211 8.806 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -4.549 15.519 5.690 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -3.741 16.385 7.002 1.00 0.00 H new ATOM 699 N VAL A 48 -4.241 6.109 7.826 1.00 0.00 N ATOM 700 CA VAL A 48 -3.553 4.848 8.044 1.00 0.00 C ATOM 701 C VAL A 48 -3.394 4.120 6.708 1.00 0.00 C ATOM 702 O VAL A 48 -2.323 3.598 6.404 1.00 0.00 O ATOM 703 CB VAL A 48 -4.299 4.019 9.091 1.00 0.00 C ATOM 704 CG1 VAL A 48 -3.382 2.962 9.709 1.00 0.00 C ATOM 705 CG2 VAL A 48 -4.906 4.917 10.171 1.00 0.00 C ATOM 0 H VAL A 48 -5.155 6.179 8.272 1.00 0.00 H new ATOM 0 HA VAL A 48 -2.552 5.023 8.440 1.00 0.00 H new ATOM 0 HB VAL A 48 -5.116 3.501 8.588 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -3.937 2.387 10.450 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -3.019 2.294 8.928 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -2.535 3.451 10.190 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -5.431 4.302 10.903 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -4.113 5.475 10.668 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -5.608 5.614 9.713 1.00 0.00 H new ATOM 715 N PRO A 49 -4.505 4.109 5.924 1.00 0.00 N ATOM 716 CA PRO A 49 -4.500 3.454 4.627 1.00 0.00 C ATOM 717 C PRO A 49 -3.738 4.288 3.595 1.00 0.00 C ATOM 718 O PRO A 49 -4.308 4.709 2.589 1.00 0.00 O ATOM 719 CB PRO A 49 -5.966 3.267 4.274 1.00 0.00 C ATOM 720 CG PRO A 49 -6.735 4.234 5.160 1.00 0.00 C ATOM 721 CD PRO A 49 -5.792 4.717 6.250 1.00 0.00 C ATOM 0 HA PRO A 49 -3.983 2.495 4.643 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -6.144 3.478 3.219 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -6.282 2.239 4.451 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -7.105 5.076 4.575 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -7.604 3.743 5.597 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -5.724 5.805 6.261 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -6.137 4.409 7.237 1.00 0.00 H new ATOM 729 N VAL A 50 -2.462 4.502 3.879 1.00 0.00 N ATOM 730 CA VAL A 50 -1.616 5.278 2.988 1.00 0.00 C ATOM 731 C VAL A 50 -0.609 4.348 2.309 1.00 0.00 C ATOM 732 O VAL A 50 0.136 3.637 2.982 1.00 0.00 O ATOM 733 CB VAL A 50 -0.951 6.419 3.760 1.00 0.00 C ATOM 734 CG1 VAL A 50 0.238 6.988 2.982 1.00 0.00 C ATOM 735 CG2 VAL A 50 -1.962 7.517 4.096 1.00 0.00 C ATOM 0 H VAL A 50 -1.993 4.151 4.714 1.00 0.00 H new ATOM 0 HA VAL A 50 -2.212 5.740 2.201 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.574 6.013 4.698 1.00 0.00 H new ATOM 0 HG11 VAL A 50 0.693 7.798 3.553 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.975 6.202 2.817 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -0.106 7.370 2.021 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -1.463 8.316 4.645 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -2.383 7.918 3.174 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -2.761 7.100 4.709 1.00 0.00 H new ATOM 745 N LEU A 51 -0.618 4.383 0.985 1.00 0.00 N ATOM 746 CA LEU A 51 0.286 3.552 0.208 1.00 0.00 C ATOM 747 C LEU A 51 1.618 4.283 0.030 1.00 0.00 C ATOM 748 O LEU A 51 1.665 5.359 -0.564 1.00 0.00 O ATOM 749 CB LEU A 51 -0.369 3.137 -1.111 1.00 0.00 C ATOM 750 CG LEU A 51 -0.187 1.674 -1.519 1.00 0.00 C ATOM 751 CD1 LEU A 51 -1.139 1.299 -2.657 1.00 0.00 C ATOM 752 CD2 LEU A 51 1.273 1.381 -1.873 1.00 0.00 C ATOM 0 H LEU A 51 -1.237 4.974 0.430 1.00 0.00 H new ATOM 0 HA LEU A 51 0.500 2.623 0.737 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.437 3.345 -1.045 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.030 3.767 -1.906 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.444 1.047 -0.665 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.989 0.254 -2.928 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.169 1.445 -2.333 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.938 1.930 -3.523 1.00 0.00 H new ATOM 0 HD21 LEU A 51 1.375 0.334 -2.159 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.580 2.016 -2.704 1.00 0.00 H new ATOM 0 HD23 LEU A 51 1.905 1.584 -1.008 1.00 0.00 H new ATOM 764 N ARG A 52 2.668 3.670 0.557 1.00 0.00 N ATOM 765 CA ARG A 52 3.997 4.249 0.464 1.00 0.00 C ATOM 766 C ARG A 52 4.884 3.399 -0.449 1.00 0.00 C ATOM 767 O ARG A 52 4.713 2.184 -0.530 1.00 0.00 O ATOM 768 CB ARG A 52 4.650 4.354 1.843 1.00 0.00 C ATOM 769 CG ARG A 52 5.895 5.242 1.795 1.00 0.00 C ATOM 770 CD ARG A 52 6.851 4.910 2.942 1.00 0.00 C ATOM 771 NE ARG A 52 8.245 5.201 2.540 1.00 0.00 N ATOM 772 CZ ARG A 52 9.254 5.379 3.403 1.00 0.00 C ATOM 773 NH1 ARG A 52 9.031 5.298 4.721 1.00 0.00 N ATOM 774 NH2 ARG A 52 10.487 5.639 2.947 1.00 0.00 N ATOM 0 H ARG A 52 2.625 2.778 1.050 1.00 0.00 H new ATOM 0 HA ARG A 52 3.893 5.250 0.046 1.00 0.00 H new ATOM 0 HB2 ARG A 52 3.935 4.762 2.557 1.00 0.00 H new ATOM 0 HB3 ARG A 52 4.922 3.360 2.197 1.00 0.00 H new ATOM 0 HG2 ARG A 52 6.405 5.107 0.841 1.00 0.00 H new ATOM 0 HG3 ARG A 52 5.601 6.290 1.854 1.00 0.00 H new ATOM 0 HD2 ARG A 52 6.589 5.493 3.825 1.00 0.00 H new ATOM 0 HD3 ARG A 52 6.754 3.859 3.214 1.00 0.00 H new ATOM 0 HE ARG A 52 8.451 5.270 1.543 1.00 0.00 H new ATOM 0 HH11 ARG A 52 8.092 5.101 5.068 1.00 0.00 H new ATOM 0 HH12 ARG A 52 9.800 5.434 5.378 1.00 0.00 H new ATOM 0 HH21 ARG A 52 10.657 5.701 1.943 1.00 0.00 H new ATOM 0 HH22 ARG A 52 11.256 5.775 3.604 1.00 0.00 H new ATOM 788 N ASP A 53 5.811 4.073 -1.113 1.00 0.00 N ATOM 789 CA ASP A 53 6.725 3.395 -2.017 1.00 0.00 C ATOM 790 C ASP A 53 8.159 3.573 -1.515 1.00 0.00 C ATOM 791 O ASP A 53 8.428 4.445 -0.690 1.00 0.00 O ATOM 792 CB ASP A 53 6.642 3.982 -3.428 1.00 0.00 C ATOM 793 CG ASP A 53 6.279 5.467 -3.489 1.00 0.00 C ATOM 794 OD1 ASP A 53 5.082 5.768 -3.291 1.00 0.00 O ATOM 795 OD2 ASP A 53 7.207 6.269 -3.732 1.00 0.00 O ATOM 0 H ASP A 53 5.949 5.081 -1.043 1.00 0.00 H new ATOM 0 HA ASP A 53 6.448 2.341 -2.048 1.00 0.00 H new ATOM 0 HB2 ASP A 53 7.602 3.837 -3.923 1.00 0.00 H new ATOM 0 HB3 ASP A 53 5.902 3.419 -3.997 1.00 0.00 H new ATOM 800 N PRO A 54 9.066 2.710 -2.047 1.00 0.00 N ATOM 801 CA PRO A 54 10.466 2.764 -1.661 1.00 0.00 C ATOM 802 C PRO A 54 11.168 3.958 -2.311 1.00 0.00 C ATOM 803 O PRO A 54 12.201 4.416 -1.824 1.00 0.00 O ATOM 804 CB PRO A 54 11.045 1.427 -2.093 1.00 0.00 C ATOM 805 CG PRO A 54 10.072 0.862 -3.116 1.00 0.00 C ATOM 806 CD PRO A 54 8.784 1.665 -3.026 1.00 0.00 C ATOM 0 HA PRO A 54 10.602 2.914 -0.590 1.00 0.00 H new ATOM 0 HB2 PRO A 54 12.037 1.553 -2.526 1.00 0.00 H new ATOM 0 HB3 PRO A 54 11.151 0.754 -1.242 1.00 0.00 H new ATOM 0 HG2 PRO A 54 10.493 0.926 -4.119 1.00 0.00 H new ATOM 0 HG3 PRO A 54 9.879 -0.192 -2.918 1.00 0.00 H new ATOM 0 HD2 PRO A 54 8.514 2.090 -3.993 1.00 0.00 H new ATOM 0 HD3 PRO A 54 7.949 1.040 -2.709 1.00 0.00 H new ATOM 814 N MET A 55 10.580 4.428 -3.401 1.00 0.00 N ATOM 815 CA MET A 55 11.136 5.560 -4.122 1.00 0.00 C ATOM 816 C MET A 55 11.113 6.825 -3.261 1.00 0.00 C ATOM 817 O MET A 55 12.097 7.562 -3.208 1.00 0.00 O ATOM 818 CB MET A 55 10.329 5.798 -5.400 1.00 0.00 C ATOM 819 CG MET A 55 10.562 4.675 -6.413 1.00 0.00 C ATOM 820 SD MET A 55 9.008 4.170 -7.132 1.00 0.00 S ATOM 821 CE MET A 55 9.465 2.562 -7.759 1.00 0.00 C ATOM 0 H MET A 55 9.724 4.045 -3.802 1.00 0.00 H new ATOM 0 HA MET A 55 12.172 5.333 -4.373 1.00 0.00 H new ATOM 0 HB2 MET A 55 9.268 5.860 -5.158 1.00 0.00 H new ATOM 0 HB3 MET A 55 10.612 6.754 -5.840 1.00 0.00 H new ATOM 0 HG2 MET A 55 11.241 5.015 -7.195 1.00 0.00 H new ATOM 0 HG3 MET A 55 11.039 3.826 -5.924 1.00 0.00 H new ATOM 0 HE1 MET A 55 8.604 2.102 -8.243 1.00 0.00 H new ATOM 0 HE2 MET A 55 10.273 2.670 -8.482 1.00 0.00 H new ATOM 0 HE3 MET A 55 9.797 1.931 -6.935 1.00 0.00 H new ATOM 831 N GLY A 56 9.980 7.037 -2.608 1.00 0.00 N ATOM 832 CA GLY A 56 9.816 8.199 -1.752 1.00 0.00 C ATOM 833 C GLY A 56 8.567 8.993 -2.139 1.00 0.00 C ATOM 834 O GLY A 56 8.627 10.210 -2.304 1.00 0.00 O ATOM 0 H GLY A 56 9.167 6.423 -2.655 1.00 0.00 H new ATOM 0 HA2 GLY A 56 9.742 7.881 -0.712 1.00 0.00 H new ATOM 0 HA3 GLY A 56 10.696 8.838 -1.828 1.00 0.00 H new ATOM 838 N ARG A 57 7.464 8.271 -2.271 1.00 0.00 N ATOM 839 CA ARG A 57 6.202 8.893 -2.635 1.00 0.00 C ATOM 840 C ARG A 57 5.050 8.250 -1.859 1.00 0.00 C ATOM 841 O ARG A 57 5.191 7.146 -1.334 1.00 0.00 O ATOM 842 CB ARG A 57 5.934 8.759 -4.135 1.00 0.00 C ATOM 843 CG ARG A 57 7.147 9.214 -4.951 1.00 0.00 C ATOM 844 CD ARG A 57 6.723 10.137 -6.095 1.00 0.00 C ATOM 845 NE ARG A 57 6.182 9.337 -7.217 1.00 0.00 N ATOM 846 CZ ARG A 57 5.461 9.848 -8.224 1.00 0.00 C ATOM 847 NH1 ARG A 57 5.189 11.160 -8.256 1.00 0.00 N ATOM 848 NH2 ARG A 57 5.011 9.047 -9.199 1.00 0.00 N ATOM 0 H ARG A 57 7.418 7.262 -2.132 1.00 0.00 H new ATOM 0 HA ARG A 57 6.269 9.951 -2.383 1.00 0.00 H new ATOM 0 HB2 ARG A 57 5.698 7.722 -4.375 1.00 0.00 H new ATOM 0 HB3 ARG A 57 5.063 9.355 -4.407 1.00 0.00 H new ATOM 0 HG2 ARG A 57 7.852 9.733 -4.302 1.00 0.00 H new ATOM 0 HG3 ARG A 57 7.666 8.344 -5.354 1.00 0.00 H new ATOM 0 HD2 ARG A 57 5.970 10.842 -5.744 1.00 0.00 H new ATOM 0 HD3 ARG A 57 7.576 10.724 -6.435 1.00 0.00 H new ATOM 0 HE ARG A 57 6.370 8.334 -7.224 1.00 0.00 H new ATOM 0 HH11 ARG A 57 5.531 11.770 -7.513 1.00 0.00 H new ATOM 0 HH12 ARG A 57 4.640 11.548 -9.023 1.00 0.00 H new ATOM 0 HH21 ARG A 57 5.217 8.048 -9.175 1.00 0.00 H new ATOM 0 HH22 ARG A 57 4.462 9.436 -9.966 1.00 0.00 H new ATOM 862 N GLU A 58 3.937 8.967 -1.812 1.00 0.00 N ATOM 863 CA GLU A 58 2.762 8.480 -1.110 1.00 0.00 C ATOM 864 C GLU A 58 1.505 8.722 -1.948 1.00 0.00 C ATOM 865 O GLU A 58 1.408 9.725 -2.653 1.00 0.00 O ATOM 866 CB GLU A 58 2.637 9.134 0.268 1.00 0.00 C ATOM 867 CG GLU A 58 3.686 8.582 1.234 1.00 0.00 C ATOM 868 CD GLU A 58 3.089 8.364 2.626 1.00 0.00 C ATOM 869 OE1 GLU A 58 2.837 9.385 3.301 1.00 0.00 O ATOM 870 OE2 GLU A 58 2.899 7.181 2.983 1.00 0.00 O ATOM 0 H GLU A 58 3.824 9.882 -2.249 1.00 0.00 H new ATOM 0 HA GLU A 58 2.872 7.406 -0.958 1.00 0.00 H new ATOM 0 HB2 GLU A 58 2.756 10.213 0.174 1.00 0.00 H new ATOM 0 HB3 GLU A 58 1.639 8.957 0.669 1.00 0.00 H new ATOM 0 HG2 GLU A 58 4.078 7.640 0.851 1.00 0.00 H new ATOM 0 HG3 GLU A 58 4.526 9.274 1.299 1.00 0.00 H new ATOM 877 N LEU A 59 0.573 7.785 -1.843 1.00 0.00 N ATOM 878 CA LEU A 59 -0.674 7.884 -2.582 1.00 0.00 C ATOM 879 C LEU A 59 -1.839 7.988 -1.596 1.00 0.00 C ATOM 880 O LEU A 59 -1.818 7.363 -0.537 1.00 0.00 O ATOM 881 CB LEU A 59 -0.805 6.721 -3.569 1.00 0.00 C ATOM 882 CG LEU A 59 -1.998 6.784 -4.524 1.00 0.00 C ATOM 883 CD1 LEU A 59 -1.973 8.072 -5.350 1.00 0.00 C ATOM 884 CD2 LEU A 59 -2.059 5.537 -5.409 1.00 0.00 C ATOM 0 H LEU A 59 0.657 6.954 -1.257 1.00 0.00 H new ATOM 0 HA LEU A 59 -0.687 8.790 -3.188 1.00 0.00 H new ATOM 0 HB2 LEU A 59 0.108 6.669 -4.162 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -0.869 5.793 -3.000 1.00 0.00 H new ATOM 0 HG LEU A 59 -2.911 6.801 -3.928 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -2.832 8.091 -6.020 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -2.014 8.933 -4.683 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -1.055 8.111 -5.936 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -2.916 5.607 -6.078 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -1.144 5.463 -5.997 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -2.160 4.651 -4.782 1.00 0.00 H new ATOM 896 N ASP A 60 -2.828 8.782 -1.980 1.00 0.00 N ATOM 897 CA ASP A 60 -3.999 8.976 -1.143 1.00 0.00 C ATOM 898 C ASP A 60 -4.585 7.613 -0.770 1.00 0.00 C ATOM 899 O ASP A 60 -4.294 6.610 -1.418 1.00 0.00 O ATOM 900 CB ASP A 60 -5.079 9.769 -1.883 1.00 0.00 C ATOM 901 CG ASP A 60 -5.765 9.016 -3.025 1.00 0.00 C ATOM 902 OD1 ASP A 60 -5.430 7.825 -3.202 1.00 0.00 O ATOM 903 OD2 ASP A 60 -6.609 9.650 -3.695 1.00 0.00 O ATOM 0 H ASP A 60 -2.842 9.298 -2.860 1.00 0.00 H new ATOM 0 HA ASP A 60 -3.691 9.527 -0.255 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -5.838 10.079 -1.164 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -4.631 10.678 -2.285 1.00 0.00 H new ATOM 908 N TRP A 61 -5.401 7.622 0.274 1.00 0.00 N ATOM 909 CA TRP A 61 -6.031 6.399 0.742 1.00 0.00 C ATOM 910 C TRP A 61 -7.070 5.975 -0.297 1.00 0.00 C ATOM 911 O TRP A 61 -7.036 4.849 -0.791 1.00 0.00 O ATOM 912 CB TRP A 61 -6.625 6.587 2.139 1.00 0.00 C ATOM 913 CG TRP A 61 -8.026 5.996 2.305 1.00 0.00 C ATOM 914 CD1 TRP A 61 -9.113 6.583 2.824 1.00 0.00 C ATOM 915 CD2 TRP A 61 -8.451 4.670 1.925 1.00 0.00 C ATOM 916 NE1 TRP A 61 -10.203 5.736 2.807 1.00 0.00 N ATOM 917 CE2 TRP A 61 -9.787 4.536 2.243 1.00 0.00 C ATOM 918 CE3 TRP A 61 -7.730 3.619 1.332 1.00 0.00 C ATOM 919 CZ2 TRP A 61 -10.517 3.365 2.006 1.00 0.00 C ATOM 920 CZ3 TRP A 61 -8.474 2.456 1.101 1.00 0.00 C ATOM 921 CH2 TRP A 61 -9.819 2.305 1.416 1.00 0.00 C ATOM 0 H TRP A 61 -5.640 8.457 0.809 1.00 0.00 H new ATOM 0 HA TRP A 61 -5.295 5.601 0.844 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -5.959 6.128 2.870 1.00 0.00 H new ATOM 0 HB3 TRP A 61 -6.662 7.652 2.366 1.00 0.00 H new ATOM 0 HD1 TRP A 61 -9.134 7.592 3.208 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -11.141 5.951 3.146 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -6.684 3.702 1.075 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -11.562 3.284 2.265 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -7.967 1.618 0.646 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -10.324 1.373 1.206 1.00 0.00 H new ATOM 932 N PRO A 62 -7.994 6.924 -0.607 1.00 0.00 N ATOM 933 CA PRO A 62 -9.041 6.660 -1.579 1.00 0.00 C ATOM 934 C PRO A 62 -8.486 6.686 -3.004 1.00 0.00 C ATOM 935 O PRO A 62 -8.021 7.723 -3.474 1.00 0.00 O ATOM 936 CB PRO A 62 -10.088 7.733 -1.329 1.00 0.00 C ATOM 937 CG PRO A 62 -9.383 8.830 -0.549 1.00 0.00 C ATOM 938 CD PRO A 62 -8.065 8.268 -0.042 1.00 0.00 C ATOM 0 HA PRO A 62 -9.475 5.666 -1.471 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -10.486 8.116 -2.268 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -10.931 7.333 -0.765 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -9.209 9.698 -1.184 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -10.001 9.164 0.284 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -7.223 8.879 -0.367 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -8.039 8.242 1.047 1.00 0.00 H new ATOM 946 N PHE A 63 -8.554 5.532 -3.652 1.00 0.00 N ATOM 947 CA PHE A 63 -8.064 5.410 -5.015 1.00 0.00 C ATOM 948 C PHE A 63 -8.787 4.285 -5.758 1.00 0.00 C ATOM 949 O PHE A 63 -9.741 3.707 -5.240 1.00 0.00 O ATOM 950 CB PHE A 63 -6.574 5.071 -4.925 1.00 0.00 C ATOM 951 CG PHE A 63 -6.213 4.160 -3.750 1.00 0.00 C ATOM 952 CD1 PHE A 63 -6.971 3.064 -3.482 1.00 0.00 C ATOM 953 CD2 PHE A 63 -5.133 4.447 -2.975 1.00 0.00 C ATOM 954 CE1 PHE A 63 -6.636 2.218 -2.391 1.00 0.00 C ATOM 955 CE2 PHE A 63 -4.798 3.602 -1.884 1.00 0.00 C ATOM 956 CZ PHE A 63 -5.556 2.505 -1.615 1.00 0.00 C ATOM 0 H PHE A 63 -8.941 4.674 -3.259 1.00 0.00 H new ATOM 0 HA PHE A 63 -8.238 6.339 -5.558 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -6.265 4.590 -5.853 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -6.006 5.997 -4.841 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -7.828 2.836 -4.099 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -4.530 5.317 -3.189 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -7.238 1.347 -2.178 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -3.941 3.830 -1.268 1.00 0.00 H new ATOM 0 HZ PHE A 63 -5.301 1.862 -0.786 1.00 0.00 H new ATOM 966 N ASP A 64 -8.305 4.009 -6.962 1.00 0.00 N ATOM 967 CA ASP A 64 -8.894 2.964 -7.782 1.00 0.00 C ATOM 968 C ASP A 64 -7.805 1.971 -8.192 1.00 0.00 C ATOM 969 O ASP A 64 -6.675 2.049 -7.713 1.00 0.00 O ATOM 970 CB ASP A 64 -9.509 3.546 -9.056 1.00 0.00 C ATOM 971 CG ASP A 64 -10.385 4.782 -8.846 1.00 0.00 C ATOM 972 OD1 ASP A 64 -10.691 5.067 -7.668 1.00 0.00 O ATOM 973 OD2 ASP A 64 -10.730 5.414 -9.868 1.00 0.00 O ATOM 0 H ASP A 64 -7.514 4.491 -7.389 1.00 0.00 H new ATOM 0 HA ASP A 64 -9.673 2.474 -7.198 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -8.704 3.803 -9.745 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -10.107 2.773 -9.538 1.00 0.00 H new ATOM 978 N ALA A 65 -8.184 1.058 -9.075 1.00 0.00 N ATOM 979 CA ALA A 65 -7.255 0.050 -9.556 1.00 0.00 C ATOM 980 C ALA A 65 -6.319 0.678 -10.591 1.00 0.00 C ATOM 981 O ALA A 65 -5.101 0.530 -10.503 1.00 0.00 O ATOM 982 CB ALA A 65 -8.036 -1.137 -10.121 1.00 0.00 C ATOM 0 H ALA A 65 -9.122 0.996 -9.470 1.00 0.00 H new ATOM 0 HA ALA A 65 -6.639 -0.325 -8.739 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -7.338 -1.893 -10.482 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -8.663 -1.565 -9.339 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -8.664 -0.800 -10.946 1.00 0.00 H new ATOM 988 N PRO A 66 -6.940 1.384 -11.574 1.00 0.00 N ATOM 989 CA PRO A 66 -6.176 2.034 -12.625 1.00 0.00 C ATOM 990 C PRO A 66 -5.491 3.299 -12.102 1.00 0.00 C ATOM 991 O PRO A 66 -4.508 3.761 -12.680 1.00 0.00 O ATOM 992 CB PRO A 66 -7.184 2.318 -13.727 1.00 0.00 C ATOM 993 CG PRO A 66 -8.552 2.239 -13.069 1.00 0.00 C ATOM 994 CD PRO A 66 -8.380 1.580 -11.711 1.00 0.00 C ATOM 0 HA PRO A 66 -5.362 1.413 -12.999 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -7.017 3.302 -14.165 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -7.096 1.591 -14.534 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -8.980 3.235 -12.958 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -9.240 1.663 -13.688 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -8.772 2.210 -10.913 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -8.915 0.632 -11.660 1.00 0.00 H new ATOM 1002 N ARG A 67 -6.036 3.822 -11.014 1.00 0.00 N ATOM 1003 CA ARG A 67 -5.490 5.024 -10.407 1.00 0.00 C ATOM 1004 C ARG A 67 -4.313 4.670 -9.496 1.00 0.00 C ATOM 1005 O ARG A 67 -3.375 5.454 -9.354 1.00 0.00 O ATOM 1006 CB ARG A 67 -6.554 5.762 -9.591 1.00 0.00 C ATOM 1007 CG ARG A 67 -6.485 7.270 -9.837 1.00 0.00 C ATOM 1008 CD ARG A 67 -7.877 7.901 -9.768 1.00 0.00 C ATOM 1009 NE ARG A 67 -8.231 8.491 -11.078 1.00 0.00 N ATOM 1010 CZ ARG A 67 -7.702 9.625 -11.559 1.00 0.00 C ATOM 1011 NH1 ARG A 67 -6.793 10.298 -10.840 1.00 0.00 N ATOM 1012 NH2 ARG A 67 -8.083 10.086 -12.758 1.00 0.00 N ATOM 0 H ARG A 67 -6.850 3.435 -10.537 1.00 0.00 H new ATOM 0 HA ARG A 67 -5.149 5.676 -11.211 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -7.544 5.391 -9.858 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -6.412 5.556 -8.530 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -5.834 7.734 -9.095 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -6.042 7.463 -10.814 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -8.613 7.148 -9.488 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -7.899 8.670 -8.996 1.00 0.00 H new ATOM 0 HE ARG A 67 -8.921 8.004 -11.651 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -6.504 9.947 -9.927 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -6.390 11.161 -11.206 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -8.775 9.574 -13.305 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -7.681 10.949 -13.124 1.00 0.00 H new ATOM 1026 N LEU A 68 -4.400 3.489 -8.901 1.00 0.00 N ATOM 1027 CA LEU A 68 -3.354 3.022 -8.008 1.00 0.00 C ATOM 1028 C LEU A 68 -2.187 2.481 -8.835 1.00 0.00 C ATOM 1029 O LEU A 68 -1.025 2.689 -8.488 1.00 0.00 O ATOM 1030 CB LEU A 68 -3.917 2.014 -7.004 1.00 0.00 C ATOM 1031 CG LEU A 68 -2.990 1.626 -5.851 1.00 0.00 C ATOM 1032 CD1 LEU A 68 -3.547 2.113 -4.512 1.00 0.00 C ATOM 1033 CD2 LEU A 68 -2.722 0.119 -5.846 1.00 0.00 C ATOM 0 H LEU A 68 -5.179 2.842 -9.020 1.00 0.00 H new ATOM 0 HA LEU A 68 -2.966 3.848 -7.411 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -4.835 2.424 -6.583 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -4.191 1.108 -7.544 1.00 0.00 H new ATOM 0 HG LEU A 68 -2.032 2.123 -6.001 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.869 1.824 -3.709 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.644 3.198 -4.532 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.525 1.664 -4.340 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.060 -0.130 -5.016 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.664 -0.418 -5.733 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -2.251 -0.170 -6.785 1.00 0.00 H new ATOM 1045 N ARG A 69 -2.536 1.796 -9.914 1.00 0.00 N ATOM 1046 CA ARG A 69 -1.531 1.222 -10.794 1.00 0.00 C ATOM 1047 C ARG A 69 -0.829 2.326 -11.587 1.00 0.00 C ATOM 1048 O ARG A 69 0.399 2.367 -11.646 1.00 0.00 O ATOM 1049 CB ARG A 69 -2.158 0.223 -11.768 1.00 0.00 C ATOM 1050 CG ARG A 69 -1.100 -0.375 -12.697 1.00 0.00 C ATOM 1051 CD ARG A 69 -0.412 -1.575 -12.044 1.00 0.00 C ATOM 1052 NE ARG A 69 -0.053 -2.575 -13.074 1.00 0.00 N ATOM 1053 CZ ARG A 69 0.640 -3.695 -12.825 1.00 0.00 C ATOM 1054 NH1 ARG A 69 1.054 -3.964 -11.579 1.00 0.00 N ATOM 1055 NH2 ARG A 69 0.920 -4.545 -13.822 1.00 0.00 N ATOM 0 H ARG A 69 -3.500 1.625 -10.199 1.00 0.00 H new ATOM 0 HA ARG A 69 -0.805 0.698 -10.172 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -2.650 -0.574 -11.210 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -2.927 0.720 -12.359 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -1.565 -0.683 -13.633 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -0.358 0.384 -12.945 1.00 0.00 H new ATOM 0 HD2 ARG A 69 0.483 -1.248 -11.515 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -1.073 -2.025 -11.303 1.00 0.00 H new ATOM 0 HE ARG A 69 -0.352 -2.401 -14.034 1.00 0.00 H new ATOM 0 HH11 ARG A 69 0.842 -3.316 -10.820 1.00 0.00 H new ATOM 0 HH12 ARG A 69 1.581 -4.816 -11.390 1.00 0.00 H new ATOM 0 HH21 ARG A 69 0.606 -4.340 -14.770 1.00 0.00 H new ATOM 0 HH22 ARG A 69 1.447 -5.397 -13.633 1.00 0.00 H new ATOM 1069 N ALA A 70 -1.638 3.193 -12.178 1.00 0.00 N ATOM 1070 CA ALA A 70 -1.109 4.293 -12.966 1.00 0.00 C ATOM 1071 C ALA A 70 -0.128 5.100 -12.112 1.00 0.00 C ATOM 1072 O ALA A 70 0.816 5.689 -12.636 1.00 0.00 O ATOM 1073 CB ALA A 70 -2.265 5.148 -13.490 1.00 0.00 C ATOM 0 H ALA A 70 -2.656 3.156 -12.127 1.00 0.00 H new ATOM 0 HA ALA A 70 -0.563 3.918 -13.831 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -1.868 5.973 -14.081 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -2.917 4.536 -14.113 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -2.834 5.545 -12.649 1.00 0.00 H new ATOM 1079 N TRP A 71 -0.387 5.102 -10.813 1.00 0.00 N ATOM 1080 CA TRP A 71 0.462 5.826 -9.882 1.00 0.00 C ATOM 1081 C TRP A 71 1.793 5.080 -9.777 1.00 0.00 C ATOM 1082 O TRP A 71 2.851 5.701 -9.679 1.00 0.00 O ATOM 1083 CB TRP A 71 -0.233 6.003 -8.530 1.00 0.00 C ATOM 1084 CG TRP A 71 0.676 6.556 -7.431 1.00 0.00 C ATOM 1085 CD1 TRP A 71 1.067 7.824 -7.244 1.00 0.00 C ATOM 1086 CD2 TRP A 71 1.295 5.802 -6.367 1.00 0.00 C ATOM 1087 NE1 TRP A 71 1.890 7.942 -6.143 1.00 0.00 N ATOM 1088 CE2 TRP A 71 2.033 6.674 -5.592 1.00 0.00 C ATOM 1089 CE3 TRP A 71 1.234 4.430 -6.070 1.00 0.00 C ATOM 1090 CZ2 TRP A 71 2.766 6.269 -4.470 1.00 0.00 C ATOM 1091 CZ3 TRP A 71 1.971 4.041 -4.945 1.00 0.00 C ATOM 1092 CH2 TRP A 71 2.719 4.906 -4.155 1.00 0.00 C ATOM 0 H TRP A 71 -1.173 4.614 -10.383 1.00 0.00 H new ATOM 0 HA TRP A 71 0.657 6.836 -10.243 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -1.084 6.673 -8.655 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -0.630 5.040 -8.208 1.00 0.00 H new ATOM 0 HD1 TRP A 71 0.775 8.650 -7.876 1.00 0.00 H new ATOM 0 HE1 TRP A 71 2.315 8.802 -5.797 1.00 0.00 H new ATOM 0 HE3 TRP A 71 0.663 3.731 -6.663 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 3.337 6.970 -3.879 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 1.957 2.996 -4.672 1.00 0.00 H new ATOM 0 HH2 TRP A 71 3.262 4.528 -3.301 1.00 0.00 H new ATOM 1103 N LEU A 72 1.699 3.759 -9.801 1.00 0.00 N ATOM 1104 CA LEU A 72 2.883 2.922 -9.709 1.00 0.00 C ATOM 1105 C LEU A 72 3.744 3.127 -10.957 1.00 0.00 C ATOM 1106 O LEU A 72 4.948 3.358 -10.853 1.00 0.00 O ATOM 1107 CB LEU A 72 2.490 1.463 -9.465 1.00 0.00 C ATOM 1108 CG LEU A 72 1.860 1.157 -8.106 1.00 0.00 C ATOM 1109 CD1 LEU A 72 0.780 0.080 -8.232 1.00 0.00 C ATOM 1110 CD2 LEU A 72 2.929 0.779 -7.078 1.00 0.00 C ATOM 0 H LEU A 72 0.821 3.247 -9.883 1.00 0.00 H new ATOM 0 HA LEU A 72 3.490 3.212 -8.851 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.790 1.161 -10.244 1.00 0.00 H new ATOM 0 HB3 LEU A 72 3.380 0.844 -9.578 1.00 0.00 H new ATOM 0 HG LEU A 72 1.372 2.062 -7.745 1.00 0.00 H new ATOM 0 HD11 LEU A 72 0.348 -0.119 -7.251 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -0.001 0.426 -8.909 1.00 0.00 H new ATOM 0 HD13 LEU A 72 1.223 -0.835 -8.626 1.00 0.00 H new ATOM 0 HD21 LEU A 72 2.454 0.566 -6.120 1.00 0.00 H new ATOM 0 HD22 LEU A 72 3.467 -0.105 -7.421 1.00 0.00 H new ATOM 0 HD23 LEU A 72 3.629 1.606 -6.960 1.00 0.00 H new ATOM 1122 N ASP A 73 3.095 3.034 -12.107 1.00 0.00 N ATOM 1123 CA ASP A 73 3.786 3.207 -13.373 1.00 0.00 C ATOM 1124 C ASP A 73 4.217 4.668 -13.520 1.00 0.00 C ATOM 1125 O ASP A 73 5.287 4.952 -14.056 1.00 0.00 O ATOM 1126 CB ASP A 73 2.873 2.863 -14.552 1.00 0.00 C ATOM 1127 CG ASP A 73 3.597 2.569 -15.867 1.00 0.00 C ATOM 1128 OD1 ASP A 73 4.846 2.567 -15.839 1.00 0.00 O ATOM 1129 OD2 ASP A 73 2.884 2.352 -16.871 1.00 0.00 O ATOM 0 H ASP A 73 2.097 2.841 -12.189 1.00 0.00 H new ATOM 0 HA ASP A 73 4.649 2.541 -13.379 1.00 0.00 H new ATOM 0 HB2 ASP A 73 2.271 1.995 -14.284 1.00 0.00 H new ATOM 0 HB3 ASP A 73 2.184 3.692 -14.712 1.00 0.00 H new ATOM 1134 N ALA A 74 3.362 5.555 -13.033 1.00 0.00 N ATOM 1135 CA ALA A 74 3.640 6.979 -13.103 1.00 0.00 C ATOM 1136 C ALA A 74 5.121 7.220 -12.803 1.00 0.00 C ATOM 1137 O ALA A 74 5.729 8.136 -13.355 1.00 0.00 O ATOM 1138 CB ALA A 74 2.720 7.728 -12.137 1.00 0.00 C ATOM 0 H ALA A 74 2.476 5.315 -12.588 1.00 0.00 H new ATOM 0 HA ALA A 74 3.440 7.360 -14.104 1.00 0.00 H new ATOM 0 HB1 ALA A 74 2.929 8.796 -12.190 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.681 7.548 -12.411 1.00 0.00 H new ATOM 0 HB3 ALA A 74 2.894 7.374 -11.121 1.00 0.00 H new ATOM 1144 N ALA A 75 5.658 6.383 -11.928 1.00 0.00 N ATOM 1145 CA ALA A 75 7.056 6.493 -11.548 1.00 0.00 C ATOM 1146 C ALA A 75 7.326 7.902 -11.016 1.00 0.00 C ATOM 1147 O ALA A 75 6.504 8.802 -11.187 1.00 0.00 O ATOM 1148 CB ALA A 75 7.941 6.143 -12.746 1.00 0.00 C ATOM 0 H ALA A 75 5.150 5.626 -11.471 1.00 0.00 H new ATOM 0 HA ALA A 75 7.293 5.788 -10.751 1.00 0.00 H new ATOM 0 HB1 ALA A 75 8.990 6.226 -12.460 1.00 0.00 H new ATOM 0 HB2 ALA A 75 7.732 5.123 -13.067 1.00 0.00 H new ATOM 0 HB3 ALA A 75 7.733 6.831 -13.565 1.00 0.00 H new ATOM 1154 N PRO A 76 8.510 8.054 -10.365 1.00 0.00 N ATOM 1155 CA PRO A 76 8.898 9.339 -9.807 1.00 0.00 C ATOM 1156 C PRO A 76 9.340 10.304 -10.909 1.00 0.00 C ATOM 1157 O PRO A 76 9.386 9.934 -12.081 1.00 0.00 O ATOM 1158 CB PRO A 76 10.007 9.019 -8.818 1.00 0.00 C ATOM 1159 CG PRO A 76 10.516 7.637 -9.195 1.00 0.00 C ATOM 1160 CD PRO A 76 9.508 7.011 -10.144 1.00 0.00 C ATOM 0 HA PRO A 76 8.073 9.848 -9.309 1.00 0.00 H new ATOM 0 HB2 PRO A 76 10.806 9.758 -8.875 1.00 0.00 H new ATOM 0 HB3 PRO A 76 9.633 9.032 -7.794 1.00 0.00 H new ATOM 0 HG2 PRO A 76 11.495 7.707 -9.670 1.00 0.00 H new ATOM 0 HG3 PRO A 76 10.637 7.019 -8.305 1.00 0.00 H new ATOM 0 HD2 PRO A 76 9.979 6.709 -11.079 1.00 0.00 H new ATOM 0 HD3 PRO A 76 9.058 6.118 -9.711 1.00 0.00 H new ATOM 1168 N HIS A 77 9.654 11.522 -10.493 1.00 0.00 N ATOM 1169 CA HIS A 77 10.091 12.543 -11.430 1.00 0.00 C ATOM 1170 C HIS A 77 10.979 13.557 -10.707 1.00 0.00 C ATOM 1171 O HIS A 77 12.188 13.601 -10.931 1.00 0.00 O ATOM 1172 CB HIS A 77 8.892 13.194 -12.123 1.00 0.00 C ATOM 1173 CG HIS A 77 8.934 13.112 -13.630 1.00 0.00 C ATOM 1174 ND1 HIS A 77 8.238 13.984 -14.448 1.00 0.00 N ATOM 1175 CD2 HIS A 77 9.596 12.253 -14.457 1.00 0.00 C ATOM 1176 CE1 HIS A 77 8.478 13.656 -15.709 1.00 0.00 C ATOM 1177 NE2 HIS A 77 9.319 12.582 -15.713 1.00 0.00 N ATOM 0 H HIS A 77 9.615 11.825 -9.520 1.00 0.00 H new ATOM 0 HA HIS A 77 10.689 12.085 -12.218 1.00 0.00 H new ATOM 0 HB2 HIS A 77 7.978 12.717 -11.769 1.00 0.00 H new ATOM 0 HB3 HIS A 77 8.840 14.242 -11.828 1.00 0.00 H new ATOM 0 HD2 HIS A 77 10.237 11.442 -14.143 1.00 0.00 H new ATOM 0 HE1 HIS A 77 8.078 14.152 -16.581 1.00 0.00 H new ATOM 0 HE2 HIS A 77 9.676 12.110 -16.544 1.00 0.00 H new ATOM 1185 N ALA A 78 10.346 14.348 -9.852 1.00 0.00 N ATOM 1186 CA ALA A 78 11.064 15.358 -9.095 1.00 0.00 C ATOM 1187 C ALA A 78 10.726 15.212 -7.610 1.00 0.00 C ATOM 1188 O ALA A 78 9.927 15.977 -7.073 1.00 0.00 O ATOM 1189 CB ALA A 78 10.716 16.746 -9.637 1.00 0.00 C ATOM 0 H ALA A 78 9.344 14.309 -9.667 1.00 0.00 H new ATOM 0 HA ALA A 78 12.140 15.225 -9.204 1.00 0.00 H new ATOM 0 HB1 ALA A 78 11.255 17.504 -9.069 1.00 0.00 H new ATOM 0 HB2 ALA A 78 11.001 16.809 -10.687 1.00 0.00 H new ATOM 0 HB3 ALA A 78 9.643 16.915 -9.542 1.00 0.00 H new TER 1195 ALA A 78