USER MOD reduce.3.24.130724 H: found=0, std=0, add=586, rem=0, adj=9 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 Set 1.1: A 6 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 44 TYR OH : rot -123:sc= 0.922 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 -13:sc= 0.313 USER MOD Single : A 7 GLN : amide:sc=-0.00741 X(o=-0.0074,f=0) USER MOD Single : A 11 CYS SG : rot 180:sc= 0 USER MOD Single : A 12 HIS :FLIP no HD1:sc= -0.0229 F(o=-0.56,f=-0.023) USER MOD Single : A 14 CYS SG : rot 160:sc= -1.92 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 GLN : amide:sc= -0.187 K(o=-0.19,f=-1.5!) 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 55 MET CE :methyl 158:sc= -0.0323 (180deg=-0.262) USER MOD Single : A 77 HIS : no HD1:sc= -0.271 X(o=-0.27,f=-0.15) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.840 -1.463 -5.263 1.00 0.00 N ATOM 2 CA MET A 1 10.330 -2.817 -5.404 1.00 0.00 C ATOM 3 C MET A 1 9.287 -3.124 -4.328 1.00 0.00 C ATOM 4 O MET A 1 8.163 -3.515 -4.642 1.00 0.00 O ATOM 5 CB MET A 1 11.487 -3.812 -5.293 1.00 0.00 C ATOM 6 CG MET A 1 11.829 -4.410 -6.659 1.00 0.00 C ATOM 7 SD MET A 1 13.488 -5.070 -6.638 1.00 0.00 S ATOM 8 CE MET A 1 14.101 -4.413 -8.180 1.00 0.00 C ATOM 0 H1 MET A 1 11.546 -1.279 -6.004 1.00 0.00 H new ATOM 0 H2 MET A 1 10.056 -0.786 -5.355 1.00 0.00 H new ATOM 0 H3 MET A 1 11.283 -1.355 -4.328 1.00 0.00 H new ATOM 0 HA MET A 1 9.854 -2.907 -6.381 1.00 0.00 H new ATOM 0 HB2 MET A 1 12.363 -3.312 -4.881 1.00 0.00 H new ATOM 0 HB3 MET A 1 11.220 -4.609 -4.599 1.00 0.00 H new ATOM 0 HG2 MET A 1 11.118 -5.198 -6.909 1.00 0.00 H new ATOM 0 HG3 MET A 1 11.742 -3.646 -7.432 1.00 0.00 H new ATOM 0 HE1 MET A 1 15.133 -4.731 -8.326 1.00 0.00 H new ATOM 0 HE2 MET A 1 13.488 -4.782 -9.002 1.00 0.00 H new ATOM 0 HE3 MET A 1 14.057 -3.324 -8.155 1.00 0.00 H new ATOM 18 N ALA A 2 9.696 -2.937 -3.082 1.00 0.00 N ATOM 19 CA ALA A 2 8.810 -3.190 -1.958 1.00 0.00 C ATOM 20 C ALA A 2 8.104 -1.889 -1.568 1.00 0.00 C ATOM 21 O ALA A 2 8.730 -0.831 -1.515 1.00 0.00 O ATOM 22 CB ALA A 2 9.612 -3.788 -0.800 1.00 0.00 C ATOM 0 H ALA A 2 10.629 -2.613 -2.826 1.00 0.00 H new ATOM 0 HA ALA A 2 8.042 -3.914 -2.230 1.00 0.00 H new ATOM 0 HB1 ALA A 2 8.948 -3.978 0.043 1.00 0.00 H new ATOM 0 HB2 ALA A 2 10.069 -4.724 -1.119 1.00 0.00 H new ATOM 0 HB3 ALA A 2 10.391 -3.088 -0.498 1.00 0.00 H new ATOM 28 N LEU A 3 6.812 -2.011 -1.304 1.00 0.00 N ATOM 29 CA LEU A 3 6.015 -0.858 -0.920 1.00 0.00 C ATOM 30 C LEU A 3 5.775 -0.890 0.591 1.00 0.00 C ATOM 31 O LEU A 3 6.299 -1.757 1.288 1.00 0.00 O ATOM 32 CB LEU A 3 4.728 -0.798 -1.745 1.00 0.00 C ATOM 33 CG LEU A 3 4.862 -0.221 -3.156 1.00 0.00 C ATOM 34 CD1 LEU A 3 4.182 -1.126 -4.185 1.00 0.00 C ATOM 35 CD2 LEU A 3 4.333 1.213 -3.215 1.00 0.00 C ATOM 0 H LEU A 3 6.297 -2.890 -1.348 1.00 0.00 H new ATOM 0 HA LEU A 3 6.551 0.066 -1.139 1.00 0.00 H new ATOM 0 HB2 LEU A 3 4.323 -1.807 -1.823 1.00 0.00 H new ATOM 0 HB3 LEU A 3 3.997 -0.202 -1.198 1.00 0.00 H new ATOM 0 HG LEU A 3 5.921 -0.183 -3.410 1.00 0.00 H new ATOM 0 HD11 LEU A 3 4.292 -0.693 -5.179 1.00 0.00 H new ATOM 0 HD12 LEU A 3 4.646 -2.112 -4.165 1.00 0.00 H new ATOM 0 HD13 LEU A 3 3.123 -1.219 -3.945 1.00 0.00 H new ATOM 0 HD21 LEU A 3 4.440 1.599 -4.229 1.00 0.00 H new ATOM 0 HD22 LEU A 3 3.281 1.224 -2.932 1.00 0.00 H new ATOM 0 HD23 LEU A 3 4.901 1.839 -2.527 1.00 0.00 H new ATOM 47 N THR A 4 4.984 0.068 1.052 1.00 0.00 N ATOM 48 CA THR A 4 4.669 0.161 2.468 1.00 0.00 C ATOM 49 C THR A 4 3.257 0.715 2.664 1.00 0.00 C ATOM 50 O THR A 4 3.026 1.911 2.493 1.00 0.00 O ATOM 51 CB THR A 4 5.753 1.007 3.139 1.00 0.00 C ATOM 52 OG1 THR A 4 6.943 0.240 2.974 1.00 0.00 O ATOM 53 CG2 THR A 4 5.572 1.094 4.656 1.00 0.00 C ATOM 0 H THR A 4 4.552 0.786 0.471 1.00 0.00 H new ATOM 0 HA THR A 4 4.667 -0.822 2.939 1.00 0.00 H new ATOM 0 HB THR A 4 5.745 2.011 2.715 1.00 0.00 H new ATOM 0 HG1 THR A 4 6.710 -0.669 2.693 1.00 0.00 H new ATOM 0 HG21 THR A 4 6.367 1.705 5.083 1.00 0.00 H new ATOM 0 HG22 THR A 4 4.606 1.546 4.882 1.00 0.00 H new ATOM 0 HG23 THR A 4 5.614 0.093 5.085 1.00 0.00 H new ATOM 61 N LEU A 5 2.348 -0.180 3.022 1.00 0.00 N ATOM 62 CA LEU A 5 0.965 0.204 3.244 1.00 0.00 C ATOM 63 C LEU A 5 0.611 -0.005 4.718 1.00 0.00 C ATOM 64 O LEU A 5 0.466 -1.140 5.169 1.00 0.00 O ATOM 65 CB LEU A 5 0.040 -0.540 2.278 1.00 0.00 C ATOM 66 CG LEU A 5 -1.418 -0.679 2.719 1.00 0.00 C ATOM 67 CD1 LEU A 5 -2.219 0.578 2.372 1.00 0.00 C ATOM 68 CD2 LEU A 5 -2.051 -1.942 2.130 1.00 0.00 C ATOM 0 H LEU A 5 2.543 -1.171 3.164 1.00 0.00 H new ATOM 0 HA LEU A 5 0.826 1.264 3.030 1.00 0.00 H new ATOM 0 HB2 LEU A 5 0.061 -0.025 1.317 1.00 0.00 H new ATOM 0 HB3 LEU A 5 0.446 -1.538 2.114 1.00 0.00 H new ATOM 0 HG LEU A 5 -1.438 -0.784 3.804 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -3.252 0.452 2.696 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -1.782 1.439 2.878 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -2.194 0.739 1.294 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -3.087 -2.017 2.459 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -2.019 -1.892 1.042 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -1.498 -2.818 2.469 1.00 0.00 H new ATOM 80 N TYR A 6 0.483 1.107 5.426 1.00 0.00 N ATOM 81 CA TYR A 6 0.150 1.059 6.840 1.00 0.00 C ATOM 82 C TYR A 6 -1.255 0.490 7.053 1.00 0.00 C ATOM 83 O TYR A 6 -2.191 0.855 6.343 1.00 0.00 O ATOM 84 CB TYR A 6 0.180 2.508 7.329 1.00 0.00 C ATOM 85 CG TYR A 6 1.587 3.096 7.447 1.00 0.00 C ATOM 86 CD1 TYR A 6 2.373 2.791 8.540 1.00 0.00 C ATOM 87 CD2 TYR A 6 2.071 3.931 6.461 1.00 0.00 C ATOM 88 CE1 TYR A 6 3.698 3.345 8.651 1.00 0.00 C ATOM 89 CE2 TYR A 6 3.396 4.484 6.572 1.00 0.00 C ATOM 90 CZ TYR A 6 4.144 4.164 7.662 1.00 0.00 C ATOM 91 OH TYR A 6 5.395 4.686 7.766 1.00 0.00 O ATOM 0 H TYR A 6 0.604 2.046 5.048 1.00 0.00 H new ATOM 0 HA TYR A 6 0.851 0.421 7.379 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -0.404 3.124 6.645 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -0.308 2.562 8.302 1.00 0.00 H new ATOM 0 HD1 TYR A 6 1.995 2.137 9.312 1.00 0.00 H new ATOM 0 HD2 TYR A 6 1.456 4.170 5.606 1.00 0.00 H new ATOM 0 HE1 TYR A 6 4.323 3.115 9.501 1.00 0.00 H new ATOM 0 HE2 TYR A 6 3.787 5.138 5.807 1.00 0.00 H new ATOM 0 HH TYR A 6 5.579 5.251 6.987 1.00 0.00 H new ATOM 101 N GLN A 7 -1.357 -0.395 8.034 1.00 0.00 N ATOM 102 CA GLN A 7 -2.632 -1.018 8.349 1.00 0.00 C ATOM 103 C GLN A 7 -2.704 -1.353 9.840 1.00 0.00 C ATOM 104 O GLN A 7 -1.683 -1.368 10.527 1.00 0.00 O ATOM 105 CB GLN A 7 -2.858 -2.266 7.494 1.00 0.00 C ATOM 106 CG GLN A 7 -1.799 -3.331 7.787 1.00 0.00 C ATOM 107 CD GLN A 7 -2.262 -4.710 7.314 1.00 0.00 C ATOM 108 OE1 GLN A 7 -2.748 -4.885 6.208 1.00 0.00 O ATOM 109 NE2 GLN A 7 -2.086 -5.677 8.210 1.00 0.00 N ATOM 0 H GLN A 7 -0.579 -0.695 8.621 1.00 0.00 H new ATOM 0 HA GLN A 7 -3.428 -0.311 8.117 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -3.851 -2.671 7.691 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -2.827 -1.998 6.438 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -0.865 -3.067 7.290 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -1.594 -3.360 8.857 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -1.673 -5.462 9.118 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -2.364 -6.633 7.989 1.00 0.00 H new ATOM 118 N ARG A 8 -3.920 -1.614 10.297 1.00 0.00 N ATOM 119 CA ARG A 8 -4.138 -1.949 11.694 1.00 0.00 C ATOM 120 C ARG A 8 -5.368 -2.848 11.839 1.00 0.00 C ATOM 121 O ARG A 8 -6.491 -2.414 11.588 1.00 0.00 O ATOM 122 CB ARG A 8 -4.335 -0.688 12.538 1.00 0.00 C ATOM 123 CG ARG A 8 -4.225 -1.005 14.031 1.00 0.00 C ATOM 124 CD ARG A 8 -5.079 -0.043 14.860 1.00 0.00 C ATOM 125 NE ARG A 8 -5.326 -0.614 16.203 1.00 0.00 N ATOM 126 CZ ARG A 8 -6.139 -0.064 17.115 1.00 0.00 C ATOM 127 NH1 ARG A 8 -6.788 1.074 16.835 1.00 0.00 N ATOM 128 NH2 ARG A 8 -6.302 -0.652 18.308 1.00 0.00 N ATOM 0 H ARG A 8 -4.764 -1.600 9.725 1.00 0.00 H new ATOM 0 HA ARG A 8 -3.254 -2.477 12.050 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -3.588 0.057 12.265 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -5.312 -0.253 12.326 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -4.545 -2.031 14.213 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -3.184 -0.936 14.345 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -4.573 0.918 14.952 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -6.027 0.143 14.355 1.00 0.00 H new ATOM 0 HE ARG A 8 -4.847 -1.480 16.450 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -6.663 1.522 15.927 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -7.407 1.492 17.530 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -5.807 -1.518 18.522 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -6.921 -0.234 19.003 1.00 0.00 H new ATOM 142 N ASP A 9 -5.114 -4.084 12.243 1.00 0.00 N ATOM 143 CA ASP A 9 -6.186 -5.047 12.424 1.00 0.00 C ATOM 144 C ASP A 9 -7.008 -5.137 11.137 1.00 0.00 C ATOM 145 O ASP A 9 -6.812 -4.347 10.215 1.00 0.00 O ATOM 146 CB ASP A 9 -7.124 -4.621 13.555 1.00 0.00 C ATOM 147 CG ASP A 9 -7.986 -5.743 14.138 1.00 0.00 C ATOM 148 OD1 ASP A 9 -7.472 -6.881 14.196 1.00 0.00 O ATOM 149 OD2 ASP A 9 -9.139 -5.438 14.512 1.00 0.00 O ATOM 0 H ASP A 9 -4.181 -4.440 12.450 1.00 0.00 H new ATOM 0 HA ASP A 9 -5.737 -6.009 12.671 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -6.527 -4.187 14.358 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -7.781 -3.834 13.185 1.00 0.00 H new ATOM 154 N ASP A 10 -7.910 -6.107 11.115 1.00 0.00 N ATOM 155 CA ASP A 10 -8.762 -6.310 9.956 1.00 0.00 C ATOM 156 C ASP A 10 -9.796 -5.184 9.884 1.00 0.00 C ATOM 157 O ASP A 10 -10.865 -5.278 10.485 1.00 0.00 O ATOM 158 CB ASP A 10 -9.516 -7.638 10.052 1.00 0.00 C ATOM 159 CG ASP A 10 -9.810 -8.314 8.712 1.00 0.00 C ATOM 160 OD1 ASP A 10 -9.749 -7.598 7.689 1.00 0.00 O ATOM 161 OD2 ASP A 10 -10.090 -9.532 8.740 1.00 0.00 O ATOM 0 H ASP A 10 -8.069 -6.761 11.881 1.00 0.00 H new ATOM 0 HA ASP A 10 -8.128 -6.318 9.069 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -8.935 -8.324 10.668 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -10.460 -7.466 10.570 1.00 0.00 H new ATOM 166 N CYS A 11 -9.440 -4.145 9.143 1.00 0.00 N ATOM 167 CA CYS A 11 -10.323 -3.002 8.985 1.00 0.00 C ATOM 168 C CYS A 11 -10.825 -2.978 7.540 1.00 0.00 C ATOM 169 O CYS A 11 -10.242 -3.619 6.666 1.00 0.00 O ATOM 170 CB CYS A 11 -9.629 -1.693 9.370 1.00 0.00 C ATOM 171 SG CYS A 11 -10.838 -0.540 10.117 1.00 0.00 S ATOM 0 H CYS A 11 -8.553 -4.071 8.646 1.00 0.00 H new ATOM 0 HA CYS A 11 -11.172 -3.099 9.662 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -8.822 -1.893 10.075 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -9.177 -1.238 8.488 1.00 0.00 H new ATOM 0 HG CYS A 11 -10.238 0.567 10.442 1.00 0.00 H new ATOM 177 N HIS A 12 -11.900 -2.233 7.332 1.00 0.00 N ATOM 178 CA HIS A 12 -12.486 -2.118 6.008 1.00 0.00 C ATOM 179 C HIS A 12 -11.660 -1.145 5.163 1.00 0.00 C ATOM 180 O HIS A 12 -11.214 -1.491 4.071 1.00 0.00 O ATOM 181 CB HIS A 12 -13.961 -1.719 6.099 1.00 0.00 C ATOM 182 CG HIS A 12 -14.755 -2.012 4.848 1.00 0.00 C ATOM 183 ND1 HIS A 12 -14.550 -1.636 3.554 1.00 0.00 N flip ATOM 184 CD2 HIS A 12 -15.909 -2.776 4.855 1.00 0.00 C flip ATOM 185 CE1 HIS A 12 -15.525 -2.143 2.810 1.00 0.00 C flip ATOM 186 NE2 HIS A 12 -16.369 -2.850 3.615 1.00 0.00 N flip ATOM 0 H HIS A 12 -12.381 -1.703 8.059 1.00 0.00 H new ATOM 0 HA HIS A 12 -12.462 -3.088 5.511 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -14.418 -2.244 6.938 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -14.026 -0.653 6.317 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -16.358 -3.234 5.724 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -15.632 -2.017 1.743 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -17.207 -3.348 3.315 1.00 0.00 H new ATOM 194 N LEU A 13 -11.482 0.052 5.702 1.00 0.00 N ATOM 195 CA LEU A 13 -10.718 1.077 5.012 1.00 0.00 C ATOM 196 C LEU A 13 -9.429 0.463 4.463 1.00 0.00 C ATOM 197 O LEU A 13 -8.974 0.830 3.381 1.00 0.00 O ATOM 198 CB LEU A 13 -10.484 2.279 5.929 1.00 0.00 C ATOM 199 CG LEU A 13 -10.289 3.627 5.232 1.00 0.00 C ATOM 200 CD1 LEU A 13 -11.604 4.130 4.634 1.00 0.00 C ATOM 201 CD2 LEU A 13 -9.662 4.650 6.181 1.00 0.00 C ATOM 0 H LEU A 13 -11.854 0.335 6.609 1.00 0.00 H new ATOM 0 HA LEU A 13 -11.278 1.460 4.159 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -11.332 2.363 6.608 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -9.604 2.078 6.541 1.00 0.00 H new ATOM 0 HG LEU A 13 -9.592 3.486 4.405 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -11.438 5.090 4.145 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -11.971 3.409 3.904 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -12.342 4.250 5.427 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -9.534 5.599 5.660 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -10.313 4.794 7.043 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -8.691 4.287 6.517 1.00 0.00 H new ATOM 213 N CYS A 14 -8.877 -0.463 5.234 1.00 0.00 N ATOM 214 CA CYS A 14 -7.649 -1.132 4.837 1.00 0.00 C ATOM 215 C CYS A 14 -7.990 -2.160 3.757 1.00 0.00 C ATOM 216 O CYS A 14 -7.316 -2.234 2.731 1.00 0.00 O ATOM 217 CB CYS A 14 -6.943 -1.773 6.034 1.00 0.00 C ATOM 218 SG CYS A 14 -6.440 -0.482 7.229 1.00 0.00 S ATOM 0 H CYS A 14 -9.257 -0.766 6.131 1.00 0.00 H new ATOM 0 HA CYS A 14 -6.947 -0.402 4.433 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -7.607 -2.489 6.518 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -6.068 -2.328 5.696 1.00 0.00 H new ATOM 0 HG CYS A 14 -6.241 -1.023 8.394 1.00 0.00 H new ATOM 224 N ASP A 15 -9.035 -2.929 4.025 1.00 0.00 N ATOM 225 CA ASP A 15 -9.473 -3.950 3.089 1.00 0.00 C ATOM 226 C ASP A 15 -9.625 -3.329 1.699 1.00 0.00 C ATOM 227 O ASP A 15 -9.091 -3.850 0.720 1.00 0.00 O ATOM 228 CB ASP A 15 -10.828 -4.529 3.499 1.00 0.00 C ATOM 229 CG ASP A 15 -10.879 -6.055 3.589 1.00 0.00 C ATOM 230 OD1 ASP A 15 -9.786 -6.661 3.583 1.00 0.00 O ATOM 231 OD2 ASP A 15 -12.011 -6.582 3.661 1.00 0.00 O ATOM 0 H ASP A 15 -9.591 -2.865 4.878 1.00 0.00 H new ATOM 0 HA ASP A 15 -8.728 -4.746 3.085 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -11.105 -4.114 4.468 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -11.580 -4.197 2.783 1.00 0.00 H new ATOM 236 N GLN A 16 -10.356 -2.225 1.655 1.00 0.00 N ATOM 237 CA GLN A 16 -10.585 -1.528 0.401 1.00 0.00 C ATOM 238 C GLN A 16 -9.254 -1.093 -0.215 1.00 0.00 C ATOM 239 O GLN A 16 -9.116 -1.050 -1.437 1.00 0.00 O ATOM 240 CB GLN A 16 -11.514 -0.329 0.602 1.00 0.00 C ATOM 241 CG GLN A 16 -12.964 -0.699 0.284 1.00 0.00 C ATOM 242 CD GLN A 16 -13.652 0.412 -0.512 1.00 0.00 C ATOM 243 OE1 GLN A 16 -13.559 0.490 -1.726 1.00 0.00 O ATOM 244 NE2 GLN A 16 -14.346 1.264 0.238 1.00 0.00 N ATOM 0 H GLN A 16 -10.798 -1.796 2.468 1.00 0.00 H new ATOM 0 HA GLN A 16 -11.076 -2.214 -0.289 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -11.442 0.023 1.631 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -11.196 0.493 -0.039 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -12.989 -1.628 -0.285 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -13.509 -0.878 1.211 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -14.382 1.140 1.250 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -14.842 2.041 -0.199 1.00 0.00 H new ATOM 253 N ALA A 17 -8.308 -0.780 0.658 1.00 0.00 N ATOM 254 CA ALA A 17 -6.993 -0.350 0.215 1.00 0.00 C ATOM 255 C ALA A 17 -6.244 -1.544 -0.381 1.00 0.00 C ATOM 256 O ALA A 17 -5.719 -1.462 -1.490 1.00 0.00 O ATOM 257 CB ALA A 17 -6.241 0.283 1.387 1.00 0.00 C ATOM 0 H ALA A 17 -8.426 -0.816 1.670 1.00 0.00 H new ATOM 0 HA ALA A 17 -7.080 0.407 -0.564 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -5.254 0.606 1.055 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -6.799 1.144 1.755 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -6.133 -0.449 2.188 1.00 0.00 H new ATOM 263 N VAL A 18 -6.219 -2.627 0.383 1.00 0.00 N ATOM 264 CA VAL A 18 -5.544 -3.836 -0.056 1.00 0.00 C ATOM 265 C VAL A 18 -6.195 -4.340 -1.346 1.00 0.00 C ATOM 266 O VAL A 18 -5.515 -4.868 -2.224 1.00 0.00 O ATOM 267 CB VAL A 18 -5.554 -4.877 1.065 1.00 0.00 C ATOM 268 CG1 VAL A 18 -5.061 -6.234 0.558 1.00 0.00 C ATOM 269 CG2 VAL A 18 -4.725 -4.404 2.260 1.00 0.00 C ATOM 0 H VAL A 18 -6.655 -2.692 1.303 1.00 0.00 H new ATOM 0 HA VAL A 18 -4.498 -3.629 -0.280 1.00 0.00 H new ATOM 0 HB VAL A 18 -6.584 -4.999 1.399 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -5.078 -6.956 1.375 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -5.711 -6.580 -0.246 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -4.042 -6.134 0.183 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -4.749 -5.162 3.042 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -3.694 -4.239 1.946 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -5.140 -3.472 2.645 1.00 0.00 H new ATOM 279 N GLU A 19 -7.506 -4.159 -1.419 1.00 0.00 N ATOM 280 CA GLU A 19 -8.257 -4.589 -2.586 1.00 0.00 C ATOM 281 C GLU A 19 -7.742 -3.877 -3.839 1.00 0.00 C ATOM 282 O GLU A 19 -7.451 -4.520 -4.847 1.00 0.00 O ATOM 283 CB GLU A 19 -9.755 -4.346 -2.394 1.00 0.00 C ATOM 284 CG GLU A 19 -10.559 -5.610 -2.705 1.00 0.00 C ATOM 285 CD GLU A 19 -11.394 -5.431 -3.975 1.00 0.00 C ATOM 286 OE1 GLU A 19 -10.774 -5.174 -5.030 1.00 0.00 O ATOM 287 OE2 GLU A 19 -12.632 -5.555 -3.862 1.00 0.00 O ATOM 0 H GLU A 19 -8.067 -3.720 -0.689 1.00 0.00 H new ATOM 0 HA GLU A 19 -8.110 -5.661 -2.714 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -9.948 -4.031 -1.368 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -10.082 -3.534 -3.043 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -9.882 -6.455 -2.827 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -11.213 -5.845 -1.865 1.00 0.00 H new ATOM 294 N ALA A 20 -7.645 -2.560 -3.735 1.00 0.00 N ATOM 295 CA ALA A 20 -7.170 -1.755 -4.848 1.00 0.00 C ATOM 296 C ALA A 20 -5.752 -2.192 -5.220 1.00 0.00 C ATOM 297 O ALA A 20 -5.398 -2.225 -6.397 1.00 0.00 O ATOM 298 CB ALA A 20 -7.245 -0.273 -4.474 1.00 0.00 C ATOM 0 H ALA A 20 -7.887 -2.030 -2.898 1.00 0.00 H new ATOM 0 HA ALA A 20 -7.800 -1.902 -5.725 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -6.889 0.331 -5.308 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -8.277 -0.007 -4.248 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -6.622 -0.087 -3.599 1.00 0.00 H new ATOM 304 N LEU A 21 -4.979 -2.515 -4.194 1.00 0.00 N ATOM 305 CA LEU A 21 -3.607 -2.949 -4.398 1.00 0.00 C ATOM 306 C LEU A 21 -3.602 -4.243 -5.215 1.00 0.00 C ATOM 307 O LEU A 21 -2.995 -4.305 -6.283 1.00 0.00 O ATOM 308 CB LEU A 21 -2.876 -3.064 -3.059 1.00 0.00 C ATOM 309 CG LEU A 21 -1.949 -1.901 -2.699 1.00 0.00 C ATOM 310 CD1 LEU A 21 -1.840 -1.736 -1.182 1.00 0.00 C ATOM 311 CD2 LEU A 21 -0.578 -2.068 -3.358 1.00 0.00 C ATOM 0 H LEU A 21 -5.276 -2.485 -3.219 1.00 0.00 H new ATOM 0 HA LEU A 21 -3.054 -2.206 -4.973 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.620 -3.168 -2.269 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.289 -3.982 -3.066 1.00 0.00 H new ATOM 0 HG LEU A 21 -2.385 -0.983 -3.092 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.175 -0.903 -0.953 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.828 -1.537 -0.766 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.439 -2.650 -0.744 1.00 0.00 H new ATOM 0 HD21 LEU A 21 0.061 -1.228 -3.086 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -0.121 -2.997 -3.017 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -0.696 -2.098 -4.441 1.00 0.00 H new ATOM 323 N ALA A 22 -4.285 -5.245 -4.681 1.00 0.00 N ATOM 324 CA ALA A 22 -4.367 -6.533 -5.346 1.00 0.00 C ATOM 325 C ALA A 22 -4.892 -6.335 -6.770 1.00 0.00 C ATOM 326 O ALA A 22 -4.336 -6.882 -7.721 1.00 0.00 O ATOM 327 CB ALA A 22 -5.248 -7.477 -4.526 1.00 0.00 C ATOM 0 H ALA A 22 -4.787 -5.190 -3.795 1.00 0.00 H new ATOM 0 HA ALA A 22 -3.380 -6.990 -5.419 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.309 -8.444 -5.026 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -4.816 -7.608 -3.534 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -6.248 -7.053 -4.433 1.00 0.00 H new ATOM 333 N GLN A 23 -5.956 -5.552 -6.870 1.00 0.00 N ATOM 334 CA GLN A 23 -6.562 -5.275 -8.161 1.00 0.00 C ATOM 335 C GLN A 23 -5.521 -4.701 -9.124 1.00 0.00 C ATOM 336 O GLN A 23 -5.393 -5.167 -10.255 1.00 0.00 O ATOM 337 CB GLN A 23 -7.754 -4.328 -8.015 1.00 0.00 C ATOM 338 CG GLN A 23 -9.034 -5.103 -7.696 1.00 0.00 C ATOM 339 CD GLN A 23 -10.175 -4.683 -8.624 1.00 0.00 C ATOM 340 OE1 GLN A 23 -9.970 -4.246 -9.745 1.00 0.00 O ATOM 341 NE2 GLN A 23 -11.387 -4.840 -8.098 1.00 0.00 N ATOM 0 H GLN A 23 -6.414 -5.101 -6.078 1.00 0.00 H new ATOM 0 HA GLN A 23 -6.933 -6.213 -8.575 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -7.555 -3.606 -7.223 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -7.888 -3.761 -8.936 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -8.851 -6.173 -7.800 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -9.321 -4.928 -6.659 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -11.489 -5.211 -7.153 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -12.214 -4.589 -8.639 1.00 0.00 H new ATOM 350 N ALA A 24 -4.803 -3.698 -8.640 1.00 0.00 N ATOM 351 CA ALA A 24 -3.777 -3.055 -9.443 1.00 0.00 C ATOM 352 C ALA A 24 -2.630 -4.040 -9.682 1.00 0.00 C ATOM 353 O ALA A 24 -1.741 -3.779 -10.490 1.00 0.00 O ATOM 354 CB ALA A 24 -3.310 -1.775 -8.748 1.00 0.00 C ATOM 0 H ALA A 24 -4.912 -3.315 -7.701 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.176 -2.770 -10.417 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -2.540 -1.293 -9.351 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.155 -1.097 -8.629 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -2.902 -2.021 -7.768 1.00 0.00 H new ATOM 360 N ARG A 25 -2.689 -5.152 -8.963 1.00 0.00 N ATOM 361 CA ARG A 25 -1.667 -6.177 -9.086 1.00 0.00 C ATOM 362 C ARG A 25 -0.291 -5.598 -8.750 1.00 0.00 C ATOM 363 O ARG A 25 0.699 -5.919 -9.406 1.00 0.00 O ATOM 364 CB ARG A 25 -1.636 -6.758 -10.502 1.00 0.00 C ATOM 365 CG ARG A 25 -2.535 -7.991 -10.608 1.00 0.00 C ATOM 366 CD ARG A 25 -1.710 -9.248 -10.891 1.00 0.00 C ATOM 367 NE ARG A 25 -2.295 -9.992 -12.028 1.00 0.00 N ATOM 368 CZ ARG A 25 -1.923 -11.228 -12.388 1.00 0.00 C ATOM 369 NH1 ARG A 25 -0.965 -11.866 -11.702 1.00 0.00 N ATOM 370 NH2 ARG A 25 -2.509 -11.826 -13.435 1.00 0.00 N ATOM 0 H ARG A 25 -3.429 -5.365 -8.294 1.00 0.00 H new ATOM 0 HA ARG A 25 -1.911 -6.974 -8.384 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -1.963 -6.002 -11.216 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -0.613 -7.025 -10.767 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -3.093 -8.119 -9.681 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -3.266 -7.845 -11.403 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -0.680 -8.973 -11.117 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -1.684 -9.883 -10.005 1.00 0.00 H new ATOM 0 HE ARG A 25 -3.027 -9.536 -12.572 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -0.519 -11.411 -10.906 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -0.682 -12.807 -11.976 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -3.238 -11.340 -13.958 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -2.226 -12.767 -13.709 1.00 0.00 H new ATOM 384 N ALA A 26 -0.273 -4.755 -7.728 1.00 0.00 N ATOM 385 CA ALA A 26 0.965 -4.128 -7.297 1.00 0.00 C ATOM 386 C ALA A 26 2.050 -5.197 -7.156 1.00 0.00 C ATOM 387 O ALA A 26 3.061 -5.156 -7.856 1.00 0.00 O ATOM 388 CB ALA A 26 0.724 -3.366 -5.992 1.00 0.00 C ATOM 0 H ALA A 26 -1.096 -4.492 -7.186 1.00 0.00 H new ATOM 0 HA ALA A 26 1.308 -3.406 -8.038 1.00 0.00 H new ATOM 0 HB1 ALA A 26 1.653 -2.896 -5.669 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -0.034 -2.600 -6.153 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.382 -4.059 -5.224 1.00 0.00 H new ATOM 394 N GLY A 27 1.805 -6.128 -6.246 1.00 0.00 N ATOM 395 CA GLY A 27 2.749 -7.206 -6.005 1.00 0.00 C ATOM 396 C GLY A 27 2.950 -7.433 -4.505 1.00 0.00 C ATOM 397 O GLY A 27 1.987 -7.439 -3.740 1.00 0.00 O ATOM 0 H GLY A 27 0.966 -6.158 -5.666 1.00 0.00 H new ATOM 0 HA2 GLY A 27 2.386 -8.123 -6.470 1.00 0.00 H new ATOM 0 HA3 GLY A 27 3.705 -6.968 -6.472 1.00 0.00 H new ATOM 401 N ALA A 28 4.207 -7.615 -4.130 1.00 0.00 N ATOM 402 CA ALA A 28 4.547 -7.842 -2.735 1.00 0.00 C ATOM 403 C ALA A 28 5.055 -6.537 -2.120 1.00 0.00 C ATOM 404 O ALA A 28 5.516 -5.647 -2.834 1.00 0.00 O ATOM 405 CB ALA A 28 5.574 -8.972 -2.637 1.00 0.00 C ATOM 0 H ALA A 28 5.003 -7.610 -4.768 1.00 0.00 H new ATOM 0 HA ALA A 28 3.667 -8.152 -2.171 1.00 0.00 H new ATOM 0 HB1 ALA A 28 5.829 -9.142 -1.591 1.00 0.00 H new ATOM 0 HB2 ALA A 28 5.153 -9.884 -3.061 1.00 0.00 H new ATOM 0 HB3 ALA A 28 6.472 -8.696 -3.189 1.00 0.00 H new ATOM 411 N PHE A 29 4.955 -6.463 -0.801 1.00 0.00 N ATOM 412 CA PHE A 29 5.399 -5.282 -0.081 1.00 0.00 C ATOM 413 C PHE A 29 5.495 -5.559 1.421 1.00 0.00 C ATOM 414 O PHE A 29 5.228 -6.673 1.869 1.00 0.00 O ATOM 415 CB PHE A 29 4.352 -4.192 -0.321 1.00 0.00 C ATOM 416 CG PHE A 29 2.923 -4.616 0.023 1.00 0.00 C ATOM 417 CD1 PHE A 29 2.516 -4.647 1.321 1.00 0.00 C ATOM 418 CD2 PHE A 29 2.059 -4.961 -0.968 1.00 0.00 C ATOM 419 CE1 PHE A 29 1.190 -5.040 1.640 1.00 0.00 C ATOM 420 CE2 PHE A 29 0.732 -5.355 -0.649 1.00 0.00 C ATOM 421 CZ PHE A 29 0.325 -5.386 0.648 1.00 0.00 C ATOM 0 H PHE A 29 4.573 -7.203 -0.212 1.00 0.00 H new ATOM 0 HA PHE A 29 6.387 -4.982 -0.431 1.00 0.00 H new ATOM 0 HB2 PHE A 29 4.613 -3.315 0.272 1.00 0.00 H new ATOM 0 HB3 PHE A 29 4.389 -3.891 -1.368 1.00 0.00 H new ATOM 0 HD1 PHE A 29 3.202 -4.373 2.109 1.00 0.00 H new ATOM 0 HD2 PHE A 29 2.382 -4.936 -1.998 1.00 0.00 H new ATOM 0 HE1 PHE A 29 0.867 -5.064 2.670 1.00 0.00 H new ATOM 0 HE2 PHE A 29 0.046 -5.630 -1.437 1.00 0.00 H new ATOM 0 HZ PHE A 29 -0.684 -5.685 0.891 1.00 0.00 H new ATOM 431 N PHE A 30 5.877 -4.526 2.157 1.00 0.00 N ATOM 432 CA PHE A 30 6.011 -4.643 3.599 1.00 0.00 C ATOM 433 C PHE A 30 4.814 -4.014 4.315 1.00 0.00 C ATOM 434 O PHE A 30 4.387 -2.914 3.967 1.00 0.00 O ATOM 435 CB PHE A 30 7.281 -3.887 3.993 1.00 0.00 C ATOM 436 CG PHE A 30 8.550 -4.401 3.309 1.00 0.00 C ATOM 437 CD1 PHE A 30 8.863 -5.723 3.362 1.00 0.00 C ATOM 438 CD2 PHE A 30 9.363 -3.535 2.647 1.00 0.00 C ATOM 439 CE1 PHE A 30 10.039 -6.200 2.726 1.00 0.00 C ATOM 440 CE2 PHE A 30 10.540 -4.013 2.011 1.00 0.00 C ATOM 441 CZ PHE A 30 10.853 -5.335 2.064 1.00 0.00 C ATOM 0 H PHE A 30 6.098 -3.604 1.782 1.00 0.00 H new ATOM 0 HA PHE A 30 6.058 -5.694 3.884 1.00 0.00 H new ATOM 0 HB2 PHE A 30 7.153 -2.832 3.752 1.00 0.00 H new ATOM 0 HB3 PHE A 30 7.411 -3.954 5.073 1.00 0.00 H new ATOM 0 HD1 PHE A 30 8.217 -6.410 3.888 1.00 0.00 H new ATOM 0 HD2 PHE A 30 9.114 -2.485 2.605 1.00 0.00 H new ATOM 0 HE1 PHE A 30 10.287 -7.250 2.768 1.00 0.00 H new ATOM 0 HE2 PHE A 30 11.186 -3.326 1.485 1.00 0.00 H new ATOM 0 HZ PHE A 30 11.748 -5.698 1.580 1.00 0.00 H new ATOM 451 N SER A 31 4.308 -4.738 5.302 1.00 0.00 N ATOM 452 CA SER A 31 3.169 -4.264 6.070 1.00 0.00 C ATOM 453 C SER A 31 3.645 -3.646 7.385 1.00 0.00 C ATOM 454 O SER A 31 4.425 -4.255 8.116 1.00 0.00 O ATOM 455 CB SER A 31 2.179 -5.399 6.344 1.00 0.00 C ATOM 456 OG SER A 31 1.283 -5.601 5.255 1.00 0.00 O ATOM 0 H SER A 31 4.666 -5.649 5.588 1.00 0.00 H new ATOM 0 HA SER A 31 2.654 -3.503 5.484 1.00 0.00 H new ATOM 0 HB2 SER A 31 2.728 -6.320 6.537 1.00 0.00 H new ATOM 0 HB3 SER A 31 1.609 -5.173 7.245 1.00 0.00 H new ATOM 0 HG SER A 31 0.669 -6.334 5.468 1.00 0.00 H new ATOM 462 N VAL A 32 3.156 -2.442 7.647 1.00 0.00 N ATOM 463 CA VAL A 32 3.522 -1.734 8.862 1.00 0.00 C ATOM 464 C VAL A 32 2.267 -1.488 9.702 1.00 0.00 C ATOM 465 O VAL A 32 1.225 -1.110 9.170 1.00 0.00 O ATOM 466 CB VAL A 32 4.270 -0.446 8.512 1.00 0.00 C ATOM 467 CG1 VAL A 32 4.641 0.333 9.776 1.00 0.00 C ATOM 468 CG2 VAL A 32 5.510 -0.744 7.668 1.00 0.00 C ATOM 0 H VAL A 32 2.510 -1.939 7.039 1.00 0.00 H new ATOM 0 HA VAL A 32 4.203 -2.336 9.464 1.00 0.00 H new ATOM 0 HB VAL A 32 3.603 0.178 7.917 1.00 0.00 H new ATOM 0 HG11 VAL A 32 5.172 1.244 9.499 1.00 0.00 H new ATOM 0 HG12 VAL A 32 3.734 0.593 10.322 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.282 -0.282 10.408 1.00 0.00 H new ATOM 0 HG21 VAL A 32 6.023 0.189 7.433 1.00 0.00 H new ATOM 0 HG22 VAL A 32 6.181 -1.397 8.226 1.00 0.00 H new ATOM 0 HG23 VAL A 32 5.211 -1.236 6.743 1.00 0.00 H new ATOM 478 N PHE A 33 2.409 -1.713 11.000 1.00 0.00 N ATOM 479 CA PHE A 33 1.299 -1.521 11.918 1.00 0.00 C ATOM 480 C PHE A 33 1.421 -0.184 12.652 1.00 0.00 C ATOM 481 O PHE A 33 2.433 0.084 13.298 1.00 0.00 O ATOM 482 CB PHE A 33 1.362 -2.657 12.940 1.00 0.00 C ATOM 483 CG PHE A 33 1.482 -4.049 12.316 1.00 0.00 C ATOM 484 CD1 PHE A 33 0.381 -4.664 11.807 1.00 0.00 C ATOM 485 CD2 PHE A 33 2.691 -4.671 12.270 1.00 0.00 C ATOM 486 CE1 PHE A 33 0.494 -5.956 11.228 1.00 0.00 C ATOM 487 CE2 PHE A 33 2.803 -5.963 11.691 1.00 0.00 C ATOM 488 CZ PHE A 33 1.702 -6.578 11.182 1.00 0.00 C ATOM 0 H PHE A 33 3.275 -2.026 11.438 1.00 0.00 H new ATOM 0 HA PHE A 33 0.358 -1.520 11.369 1.00 0.00 H new ATOM 0 HB2 PHE A 33 2.213 -2.491 13.600 1.00 0.00 H new ATOM 0 HB3 PHE A 33 0.466 -2.624 13.560 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -0.579 -4.170 11.843 1.00 0.00 H new ATOM 0 HD2 PHE A 33 3.565 -4.182 12.674 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -0.380 -6.445 10.824 1.00 0.00 H new ATOM 0 HE2 PHE A 33 3.763 -6.457 11.655 1.00 0.00 H new ATOM 0 HZ PHE A 33 1.787 -7.560 10.741 1.00 0.00 H new ATOM 498 N ILE A 34 0.375 0.621 12.528 1.00 0.00 N ATOM 499 CA ILE A 34 0.352 1.923 13.171 1.00 0.00 C ATOM 500 C ILE A 34 0.042 1.747 14.659 1.00 0.00 C ATOM 501 O ILE A 34 0.213 2.675 15.447 1.00 0.00 O ATOM 502 CB ILE A 34 -0.616 2.861 12.448 1.00 0.00 C ATOM 503 CG1 ILE A 34 -2.069 2.485 12.745 1.00 0.00 C ATOM 504 CG2 ILE A 34 -0.328 2.895 10.946 1.00 0.00 C ATOM 505 CD1 ILE A 34 -2.923 3.733 12.975 1.00 0.00 C ATOM 0 H ILE A 34 -0.463 0.396 11.991 1.00 0.00 H new ATOM 0 HA ILE A 34 1.330 2.398 13.103 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.461 3.871 12.828 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -2.476 1.909 11.914 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.110 1.845 13.626 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.030 3.569 10.456 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.690 3.247 10.779 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -0.438 1.893 10.532 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.951 3.437 13.184 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -2.527 4.294 13.822 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -2.900 4.359 12.083 1.00 0.00 H new ATOM 517 N ASP A 35 -0.410 0.548 14.998 1.00 0.00 N ATOM 518 CA ASP A 35 -0.746 0.238 16.378 1.00 0.00 C ATOM 519 C ASP A 35 0.487 0.447 17.258 1.00 0.00 C ATOM 520 O ASP A 35 1.609 0.167 16.838 1.00 0.00 O ATOM 521 CB ASP A 35 -1.189 -1.219 16.522 1.00 0.00 C ATOM 522 CG ASP A 35 -0.051 -2.227 16.688 1.00 0.00 C ATOM 523 OD1 ASP A 35 0.758 -2.332 15.741 1.00 0.00 O ATOM 524 OD2 ASP A 35 -0.015 -2.871 17.759 1.00 0.00 O ATOM 0 H ASP A 35 -0.551 -0.220 14.342 1.00 0.00 H new ATOM 0 HA ASP A 35 -1.561 0.895 16.683 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -1.853 -1.298 17.383 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -1.773 -1.494 15.644 1.00 0.00 H new ATOM 529 N ASP A 36 0.238 0.937 18.464 1.00 0.00 N ATOM 530 CA ASP A 36 1.315 1.187 19.407 1.00 0.00 C ATOM 531 C ASP A 36 1.988 2.518 19.065 1.00 0.00 C ATOM 532 O ASP A 36 2.109 3.393 19.920 1.00 0.00 O ATOM 533 CB ASP A 36 2.376 0.087 19.335 1.00 0.00 C ATOM 534 CG ASP A 36 2.898 -0.398 20.689 1.00 0.00 C ATOM 535 OD1 ASP A 36 2.291 0.001 21.706 1.00 0.00 O ATOM 536 OD2 ASP A 36 3.891 -1.157 20.675 1.00 0.00 O ATOM 0 H ASP A 36 -0.694 1.167 18.810 1.00 0.00 H new ATOM 0 HA ASP A 36 0.888 1.210 20.409 1.00 0.00 H new ATOM 0 HB2 ASP A 36 1.959 -0.764 18.797 1.00 0.00 H new ATOM 0 HB3 ASP A 36 3.218 0.453 18.748 1.00 0.00 H new ATOM 541 N ASP A 37 2.409 2.627 17.814 1.00 0.00 N ATOM 542 CA ASP A 37 3.066 3.837 17.349 1.00 0.00 C ATOM 543 C ASP A 37 2.051 4.980 17.305 1.00 0.00 C ATOM 544 O ASP A 37 1.468 5.257 16.257 1.00 0.00 O ATOM 545 CB ASP A 37 3.629 3.650 15.938 1.00 0.00 C ATOM 546 CG ASP A 37 4.965 2.907 15.869 1.00 0.00 C ATOM 547 OD1 ASP A 37 5.996 3.567 16.122 1.00 0.00 O ATOM 548 OD2 ASP A 37 4.925 1.695 15.563 1.00 0.00 O ATOM 0 H ASP A 37 2.308 1.898 17.108 1.00 0.00 H new ATOM 0 HA ASP A 37 3.881 4.063 18.036 1.00 0.00 H new ATOM 0 HB2 ASP A 37 2.897 3.107 15.340 1.00 0.00 H new ATOM 0 HB3 ASP A 37 3.752 4.631 15.479 1.00 0.00 H new ATOM 553 N ALA A 38 1.870 5.613 18.454 1.00 0.00 N ATOM 554 CA ALA A 38 0.934 6.720 18.560 1.00 0.00 C ATOM 555 C ALA A 38 1.287 7.781 17.516 1.00 0.00 C ATOM 556 O ALA A 38 0.400 8.357 16.888 1.00 0.00 O ATOM 557 CB ALA A 38 0.959 7.274 19.986 1.00 0.00 C ATOM 0 H ALA A 38 2.356 5.381 19.320 1.00 0.00 H new ATOM 0 HA ALA A 38 -0.083 6.384 18.358 1.00 0.00 H new ATOM 0 HB1 ALA A 38 0.257 8.104 20.066 1.00 0.00 H new ATOM 0 HB2 ALA A 38 0.674 6.489 20.686 1.00 0.00 H new ATOM 0 HB3 ALA A 38 1.964 7.624 20.223 1.00 0.00 H new ATOM 563 N ALA A 39 2.583 8.006 17.362 1.00 0.00 N ATOM 564 CA ALA A 39 3.063 8.988 16.404 1.00 0.00 C ATOM 565 C ALA A 39 2.454 8.696 15.032 1.00 0.00 C ATOM 566 O ALA A 39 1.955 9.601 14.364 1.00 0.00 O ATOM 567 CB ALA A 39 4.593 8.971 16.379 1.00 0.00 C ATOM 0 H ALA A 39 3.316 7.526 17.884 1.00 0.00 H new ATOM 0 HA ALA A 39 2.753 9.992 16.695 1.00 0.00 H new ATOM 0 HB1 ALA A 39 4.953 9.707 15.661 1.00 0.00 H new ATOM 0 HB2 ALA A 39 4.976 9.214 17.370 1.00 0.00 H new ATOM 0 HB3 ALA A 39 4.941 7.980 16.088 1.00 0.00 H new ATOM 573 N LEU A 40 2.515 7.428 14.650 1.00 0.00 N ATOM 574 CA LEU A 40 1.975 7.005 13.369 1.00 0.00 C ATOM 575 C LEU A 40 0.448 7.084 13.413 1.00 0.00 C ATOM 576 O LEU A 40 -0.194 7.337 12.395 1.00 0.00 O ATOM 577 CB LEU A 40 2.509 5.621 12.994 1.00 0.00 C ATOM 578 CG LEU A 40 4.031 5.468 12.991 1.00 0.00 C ATOM 579 CD1 LEU A 40 4.434 3.996 12.881 1.00 0.00 C ATOM 580 CD2 LEU A 40 4.666 6.319 11.889 1.00 0.00 C ATOM 0 H LEU A 40 2.930 6.680 15.206 1.00 0.00 H new ATOM 0 HA LEU A 40 2.306 7.675 12.576 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.092 4.892 13.689 1.00 0.00 H new ATOM 0 HB3 LEU A 40 2.136 5.366 12.002 1.00 0.00 H new ATOM 0 HG LEU A 40 4.413 5.837 13.943 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.521 3.915 12.881 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.029 3.444 13.729 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.039 3.579 11.955 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.748 6.192 11.909 1.00 0.00 H new ATOM 0 HD22 LEU A 40 4.282 6.004 10.919 1.00 0.00 H new ATOM 0 HD23 LEU A 40 4.421 7.368 12.053 1.00 0.00 H new ATOM 592 N GLU A 41 -0.091 6.861 14.604 1.00 0.00 N ATOM 593 CA GLU A 41 -1.531 6.904 14.793 1.00 0.00 C ATOM 594 C GLU A 41 -2.050 8.330 14.600 1.00 0.00 C ATOM 595 O GLU A 41 -3.011 8.550 13.865 1.00 0.00 O ATOM 596 CB GLU A 41 -1.918 6.361 16.170 1.00 0.00 C ATOM 597 CG GLU A 41 -1.641 4.860 16.266 1.00 0.00 C ATOM 598 CD GLU A 41 -2.873 4.106 16.772 1.00 0.00 C ATOM 599 OE1 GLU A 41 -3.688 4.751 17.465 1.00 0.00 O ATOM 600 OE2 GLU A 41 -2.971 2.901 16.454 1.00 0.00 O ATOM 0 H GLU A 41 0.444 6.650 15.447 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.996 6.265 14.042 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.358 6.888 16.943 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -2.975 6.552 16.356 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -1.352 4.477 15.287 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -0.801 4.684 16.938 1.00 0.00 H new ATOM 607 N SER A 42 -1.390 9.262 15.273 1.00 0.00 N ATOM 608 CA SER A 42 -1.773 10.661 15.184 1.00 0.00 C ATOM 609 C SER A 42 -1.362 11.231 13.825 1.00 0.00 C ATOM 610 O SER A 42 -2.001 12.150 13.315 1.00 0.00 O ATOM 611 CB SER A 42 -1.143 11.477 16.314 1.00 0.00 C ATOM 612 OG SER A 42 -2.115 12.223 17.041 1.00 0.00 O ATOM 0 H SER A 42 -0.593 9.076 15.882 1.00 0.00 H new ATOM 0 HA SER A 42 -2.856 10.726 15.285 1.00 0.00 H new ATOM 0 HB2 SER A 42 -0.617 10.808 16.994 1.00 0.00 H new ATOM 0 HB3 SER A 42 -0.400 12.158 15.899 1.00 0.00 H new ATOM 0 HG SER A 42 -1.673 12.729 17.754 1.00 0.00 H new ATOM 618 N ALA A 43 -0.299 10.661 13.277 1.00 0.00 N ATOM 619 CA ALA A 43 0.204 11.101 11.987 1.00 0.00 C ATOM 620 C ALA A 43 -0.764 10.656 10.888 1.00 0.00 C ATOM 621 O ALA A 43 -1.083 11.430 9.987 1.00 0.00 O ATOM 622 CB ALA A 43 1.617 10.552 11.776 1.00 0.00 C ATOM 0 H ALA A 43 0.228 9.898 13.703 1.00 0.00 H new ATOM 0 HA ALA A 43 0.267 12.189 11.950 1.00 0.00 H new ATOM 0 HB1 ALA A 43 1.995 10.882 10.808 1.00 0.00 H new ATOM 0 HB2 ALA A 43 2.272 10.920 12.566 1.00 0.00 H new ATOM 0 HB3 ALA A 43 1.592 9.463 11.804 1.00 0.00 H new ATOM 628 N TYR A 44 -1.204 9.412 11.000 1.00 0.00 N ATOM 629 CA TYR A 44 -2.129 8.855 10.027 1.00 0.00 C ATOM 630 C TYR A 44 -3.526 8.691 10.630 1.00 0.00 C ATOM 631 O TYR A 44 -4.462 9.384 10.233 1.00 0.00 O ATOM 632 CB TYR A 44 -1.578 7.475 9.663 1.00 0.00 C ATOM 633 CG TYR A 44 -0.221 7.512 8.958 1.00 0.00 C ATOM 634 CD1 TYR A 44 -0.054 8.280 7.823 1.00 0.00 C ATOM 635 CD2 TYR A 44 0.836 6.778 9.455 1.00 0.00 C ATOM 636 CE1 TYR A 44 1.223 8.316 7.159 1.00 0.00 C ATOM 637 CE2 TYR A 44 2.113 6.813 8.791 1.00 0.00 C ATOM 638 CZ TYR A 44 2.244 7.580 7.676 1.00 0.00 C ATOM 639 OH TYR A 44 3.450 7.613 7.049 1.00 0.00 O ATOM 0 H TYR A 44 -0.937 8.773 11.749 1.00 0.00 H new ATOM 0 HA TYR A 44 -2.217 9.511 9.161 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -1.487 6.880 10.572 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -2.296 6.967 9.020 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -0.882 8.854 7.433 1.00 0.00 H new ATOM 0 HD2 TYR A 44 0.706 6.177 10.343 1.00 0.00 H new ATOM 0 HE1 TYR A 44 1.367 8.913 6.271 1.00 0.00 H new ATOM 0 HE2 TYR A 44 2.948 6.243 9.170 1.00 0.00 H new ATOM 0 HH TYR A 44 3.715 6.703 6.801 1.00 0.00 H new ATOM 649 N GLY A 45 -3.622 7.772 11.578 1.00 0.00 N ATOM 650 CA GLY A 45 -4.888 7.508 12.240 1.00 0.00 C ATOM 651 C GLY A 45 -5.967 7.122 11.226 1.00 0.00 C ATOM 652 O GLY A 45 -6.214 5.939 10.996 1.00 0.00 O ATOM 0 H GLY A 45 -2.843 7.200 11.904 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -4.762 6.705 12.966 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -5.204 8.392 12.794 1.00 0.00 H new ATOM 656 N LEU A 46 -6.580 8.143 10.645 1.00 0.00 N ATOM 657 CA LEU A 46 -7.627 7.926 9.661 1.00 0.00 C ATOM 658 C LEU A 46 -6.990 7.562 8.318 1.00 0.00 C ATOM 659 O LEU A 46 -7.594 6.856 7.512 1.00 0.00 O ATOM 660 CB LEU A 46 -8.557 9.139 9.591 1.00 0.00 C ATOM 661 CG LEU A 46 -10.030 8.873 9.911 1.00 0.00 C ATOM 662 CD1 LEU A 46 -10.663 7.961 8.858 1.00 0.00 C ATOM 663 CD2 LEU A 46 -10.191 8.314 11.326 1.00 0.00 C ATOM 0 H LEU A 46 -6.372 9.123 10.837 1.00 0.00 H new ATOM 0 HA LEU A 46 -8.257 7.087 9.954 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -8.187 9.897 10.282 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -8.494 9.563 8.589 1.00 0.00 H new ATOM 0 HG LEU A 46 -10.564 9.822 9.878 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -11.710 7.788 9.109 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -10.598 8.436 7.879 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -10.133 7.009 8.835 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -11.247 8.134 11.528 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -9.640 7.377 11.412 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -9.801 9.032 12.047 1.00 0.00 H new ATOM 675 N ARG A 47 -5.778 8.060 8.119 1.00 0.00 N ATOM 676 CA ARG A 47 -5.053 7.796 6.888 1.00 0.00 C ATOM 677 C ARG A 47 -4.208 6.528 7.032 1.00 0.00 C ATOM 678 O ARG A 47 -3.111 6.444 6.481 1.00 0.00 O ATOM 679 CB ARG A 47 -4.142 8.969 6.523 1.00 0.00 C ATOM 680 CG ARG A 47 -4.959 10.235 6.254 1.00 0.00 C ATOM 681 CD ARG A 47 -4.584 11.348 7.234 1.00 0.00 C ATOM 682 NE ARG A 47 -4.252 12.585 6.492 1.00 0.00 N ATOM 683 CZ ARG A 47 -5.163 13.397 5.939 1.00 0.00 C ATOM 684 NH1 ARG A 47 -6.467 13.109 6.042 1.00 0.00 N ATOM 685 NH2 ARG A 47 -4.769 14.498 5.284 1.00 0.00 N ATOM 0 H ARG A 47 -5.280 8.645 8.790 1.00 0.00 H new ATOM 0 HA ARG A 47 -5.787 7.660 6.093 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -3.437 9.152 7.334 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -3.554 8.717 5.640 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -4.787 10.573 5.232 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -6.022 10.011 6.342 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -5.412 11.536 7.918 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -3.733 11.038 7.840 1.00 0.00 H new ATOM 0 HE ARG A 47 -3.268 12.835 6.396 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -6.766 12.272 6.541 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -7.161 13.727 5.621 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -3.776 14.717 5.207 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -5.462 15.116 4.863 1.00 0.00 H new ATOM 699 N VAL A 48 -4.750 5.574 7.774 1.00 0.00 N ATOM 700 CA VAL A 48 -4.060 4.316 7.997 1.00 0.00 C ATOM 701 C VAL A 48 -3.710 3.685 6.647 1.00 0.00 C ATOM 702 O VAL A 48 -2.577 3.257 6.433 1.00 0.00 O ATOM 703 CB VAL A 48 -4.910 3.402 8.881 1.00 0.00 C ATOM 704 CG1 VAL A 48 -4.773 1.940 8.451 1.00 0.00 C ATOM 705 CG2 VAL A 48 -4.547 3.575 10.357 1.00 0.00 C ATOM 0 H VAL A 48 -5.660 5.647 8.229 1.00 0.00 H new ATOM 0 HA VAL A 48 -3.124 4.483 8.531 1.00 0.00 H new ATOM 0 HB VAL A 48 -5.953 3.691 8.756 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -5.388 1.312 9.096 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -5.103 1.832 7.418 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -3.730 1.633 8.532 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -5.166 2.914 10.964 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -3.496 3.326 10.505 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -4.720 4.609 10.655 1.00 0.00 H new ATOM 715 N PRO A 49 -4.731 3.646 5.749 1.00 0.00 N ATOM 716 CA PRO A 49 -4.543 3.075 4.426 1.00 0.00 C ATOM 717 C PRO A 49 -3.743 4.022 3.529 1.00 0.00 C ATOM 718 O PRO A 49 -4.276 4.564 2.562 1.00 0.00 O ATOM 719 CB PRO A 49 -5.947 2.811 3.909 1.00 0.00 C ATOM 720 CG PRO A 49 -6.873 3.666 4.759 1.00 0.00 C ATOM 721 CD PRO A 49 -6.086 4.144 5.968 1.00 0.00 C ATOM 0 HA PRO A 49 -3.960 2.154 4.444 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -6.031 3.074 2.855 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -6.202 1.755 3.995 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -7.243 4.515 4.184 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -7.743 3.090 5.073 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -6.101 5.231 6.045 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -6.507 3.753 6.894 1.00 0.00 H new ATOM 729 N VAL A 50 -2.477 4.192 3.882 1.00 0.00 N ATOM 730 CA VAL A 50 -1.599 5.064 3.121 1.00 0.00 C ATOM 731 C VAL A 50 -0.533 4.220 2.419 1.00 0.00 C ATOM 732 O VAL A 50 0.052 3.324 3.025 1.00 0.00 O ATOM 733 CB VAL A 50 -1.006 6.138 4.035 1.00 0.00 C ATOM 734 CG1 VAL A 50 0.303 6.684 3.462 1.00 0.00 C ATOM 735 CG2 VAL A 50 -2.010 7.265 4.281 1.00 0.00 C ATOM 0 H VAL A 50 -2.039 3.741 4.685 1.00 0.00 H new ATOM 0 HA VAL A 50 -2.159 5.589 2.347 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.783 5.674 4.996 1.00 0.00 H new ATOM 0 HG11 VAL A 50 0.703 7.446 4.131 1.00 0.00 H new ATOM 0 HG12 VAL A 50 1.024 5.872 3.364 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.116 7.124 2.482 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -1.563 8.015 4.934 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -2.280 7.726 3.331 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -2.904 6.859 4.754 1.00 0.00 H new ATOM 745 N LEU A 51 -0.311 4.537 1.152 1.00 0.00 N ATOM 746 CA LEU A 51 0.674 3.820 0.362 1.00 0.00 C ATOM 747 C LEU A 51 1.893 4.717 0.137 1.00 0.00 C ATOM 748 O LEU A 51 1.768 5.816 -0.401 1.00 0.00 O ATOM 749 CB LEU A 51 0.047 3.299 -0.932 1.00 0.00 C ATOM 750 CG LEU A 51 -0.052 1.777 -1.065 1.00 0.00 C ATOM 751 CD1 LEU A 51 -0.925 1.387 -2.259 1.00 0.00 C ATOM 752 CD2 LEU A 51 1.337 1.141 -1.138 1.00 0.00 C ATOM 0 H LEU A 51 -0.797 5.282 0.653 1.00 0.00 H new ATOM 0 HA LEU A 51 1.022 2.937 0.898 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.956 3.717 -1.021 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.627 3.680 -1.772 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.537 1.387 -0.170 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.979 0.301 -2.331 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.928 1.792 -2.124 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.491 1.790 -3.174 1.00 0.00 H new ATOM 0 HD21 LEU A 51 1.238 0.060 -1.232 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.872 1.533 -2.003 1.00 0.00 H new ATOM 0 HD23 LEU A 51 1.893 1.377 -0.231 1.00 0.00 H new ATOM 764 N ARG A 52 3.044 4.215 0.562 1.00 0.00 N ATOM 765 CA ARG A 52 4.284 4.958 0.413 1.00 0.00 C ATOM 766 C ARG A 52 5.365 4.068 -0.204 1.00 0.00 C ATOM 767 O ARG A 52 5.437 2.877 0.092 1.00 0.00 O ATOM 768 CB ARG A 52 4.776 5.484 1.763 1.00 0.00 C ATOM 769 CG ARG A 52 5.277 4.340 2.648 1.00 0.00 C ATOM 770 CD ARG A 52 5.585 4.836 4.062 1.00 0.00 C ATOM 771 NE ARG A 52 7.047 4.983 4.240 1.00 0.00 N ATOM 772 CZ ARG A 52 7.736 6.084 3.913 1.00 0.00 C ATOM 773 NH1 ARG A 52 7.101 7.142 3.391 1.00 0.00 N ATOM 774 NH2 ARG A 52 9.061 6.129 4.110 1.00 0.00 N ATOM 0 H ARG A 52 3.144 3.304 1.009 1.00 0.00 H new ATOM 0 HA ARG A 52 4.087 5.805 -0.244 1.00 0.00 H new ATOM 0 HB2 ARG A 52 5.578 6.205 1.606 1.00 0.00 H new ATOM 0 HB3 ARG A 52 3.967 6.012 2.268 1.00 0.00 H new ATOM 0 HG2 ARG A 52 4.525 3.552 2.691 1.00 0.00 H new ATOM 0 HG3 ARG A 52 6.173 3.902 2.209 1.00 0.00 H new ATOM 0 HD2 ARG A 52 5.091 5.792 4.236 1.00 0.00 H new ATOM 0 HD3 ARG A 52 5.190 4.134 4.797 1.00 0.00 H new ATOM 0 HE ARG A 52 7.562 4.197 4.636 1.00 0.00 H new ATOM 0 HH11 ARG A 52 6.092 7.109 3.242 1.00 0.00 H new ATOM 0 HH12 ARG A 52 7.626 7.980 3.142 1.00 0.00 H new ATOM 0 HH21 ARG A 52 9.545 5.325 4.509 1.00 0.00 H new ATOM 0 HH22 ARG A 52 9.585 6.968 3.861 1.00 0.00 H new ATOM 788 N ASP A 53 6.178 4.681 -1.052 1.00 0.00 N ATOM 789 CA ASP A 53 7.252 3.960 -1.713 1.00 0.00 C ATOM 790 C ASP A 53 8.560 4.734 -1.544 1.00 0.00 C ATOM 791 O ASP A 53 8.558 5.869 -1.071 1.00 0.00 O ATOM 792 CB ASP A 53 6.977 3.816 -3.212 1.00 0.00 C ATOM 793 CG ASP A 53 6.899 2.376 -3.720 1.00 0.00 C ATOM 794 OD1 ASP A 53 7.273 1.476 -2.936 1.00 0.00 O ATOM 795 OD2 ASP A 53 6.468 2.206 -4.880 1.00 0.00 O ATOM 0 H ASP A 53 6.114 5.669 -1.296 1.00 0.00 H new ATOM 0 HA ASP A 53 7.321 2.970 -1.262 1.00 0.00 H new ATOM 0 HB2 ASP A 53 6.038 4.318 -3.444 1.00 0.00 H new ATOM 0 HB3 ASP A 53 7.761 4.337 -3.761 1.00 0.00 H new ATOM 800 N PRO A 54 9.676 4.072 -1.952 1.00 0.00 N ATOM 801 CA PRO A 54 10.989 4.686 -1.851 1.00 0.00 C ATOM 802 C PRO A 54 11.183 5.750 -2.933 1.00 0.00 C ATOM 803 O PRO A 54 11.566 6.880 -2.637 1.00 0.00 O ATOM 804 CB PRO A 54 11.973 3.533 -1.968 1.00 0.00 C ATOM 805 CG PRO A 54 11.197 2.386 -2.594 1.00 0.00 C ATOM 806 CD PRO A 54 9.718 2.727 -2.518 1.00 0.00 C ATOM 0 HA PRO A 54 11.132 5.220 -0.912 1.00 0.00 H new ATOM 0 HB2 PRO A 54 12.827 3.810 -2.586 1.00 0.00 H new ATOM 0 HB3 PRO A 54 12.364 3.252 -0.990 1.00 0.00 H new ATOM 0 HG2 PRO A 54 11.502 2.239 -3.630 1.00 0.00 H new ATOM 0 HG3 PRO A 54 11.401 1.454 -2.067 1.00 0.00 H new ATOM 0 HD2 PRO A 54 9.254 2.698 -3.504 1.00 0.00 H new ATOM 0 HD3 PRO A 54 9.180 2.016 -1.891 1.00 0.00 H new ATOM 814 N MET A 55 10.909 5.350 -4.166 1.00 0.00 N ATOM 815 CA MET A 55 11.048 6.254 -5.295 1.00 0.00 C ATOM 816 C MET A 55 9.700 6.488 -5.980 1.00 0.00 C ATOM 817 O MET A 55 9.506 7.503 -6.647 1.00 0.00 O ATOM 818 CB MET A 55 12.037 5.665 -6.303 1.00 0.00 C ATOM 819 CG MET A 55 11.525 4.337 -6.862 1.00 0.00 C ATOM 820 SD MET A 55 11.151 4.510 -8.599 1.00 0.00 S ATOM 821 CE MET A 55 12.802 4.684 -9.255 1.00 0.00 C ATOM 0 H MET A 55 10.591 4.411 -4.408 1.00 0.00 H new ATOM 0 HA MET A 55 11.418 7.211 -4.926 1.00 0.00 H new ATOM 0 HB2 MET A 55 12.194 6.371 -7.119 1.00 0.00 H new ATOM 0 HB3 MET A 55 13.004 5.513 -5.823 1.00 0.00 H new ATOM 0 HG2 MET A 55 12.275 3.559 -6.719 1.00 0.00 H new ATOM 0 HG3 MET A 55 10.633 4.024 -6.319 1.00 0.00 H new ATOM 0 HE1 MET A 55 12.804 4.415 -10.311 1.00 0.00 H new ATOM 0 HE2 MET A 55 13.131 5.717 -9.143 1.00 0.00 H new ATOM 0 HE3 MET A 55 13.481 4.026 -8.712 1.00 0.00 H new ATOM 831 N GLY A 56 8.803 5.531 -5.791 1.00 0.00 N ATOM 832 CA GLY A 56 7.478 5.619 -6.382 1.00 0.00 C ATOM 833 C GLY A 56 6.626 6.667 -5.664 1.00 0.00 C ATOM 834 O GLY A 56 5.564 7.050 -6.152 1.00 0.00 O ATOM 0 H GLY A 56 8.968 4.691 -5.237 1.00 0.00 H new ATOM 0 HA2 GLY A 56 7.563 5.876 -7.438 1.00 0.00 H new ATOM 0 HA3 GLY A 56 6.987 4.647 -6.329 1.00 0.00 H new ATOM 838 N ARG A 57 7.123 7.101 -4.515 1.00 0.00 N ATOM 839 CA ARG A 57 6.421 8.098 -3.724 1.00 0.00 C ATOM 840 C ARG A 57 5.213 7.467 -3.028 1.00 0.00 C ATOM 841 O ARG A 57 5.077 6.245 -2.998 1.00 0.00 O ATOM 842 CB ARG A 57 5.948 9.261 -4.598 1.00 0.00 C ATOM 843 CG ARG A 57 7.060 9.728 -5.539 1.00 0.00 C ATOM 844 CD ARG A 57 6.961 11.232 -5.801 1.00 0.00 C ATOM 845 NE ARG A 57 8.175 11.914 -5.299 1.00 0.00 N ATOM 846 CZ ARG A 57 8.409 13.227 -5.433 1.00 0.00 C ATOM 847 NH1 ARG A 57 7.514 14.006 -6.055 1.00 0.00 N ATOM 848 NH2 ARG A 57 9.538 13.759 -4.946 1.00 0.00 N ATOM 0 H ARG A 57 8.004 6.780 -4.113 1.00 0.00 H new ATOM 0 HA ARG A 57 7.117 8.480 -2.977 1.00 0.00 H new ATOM 0 HB2 ARG A 57 5.080 8.953 -5.180 1.00 0.00 H new ATOM 0 HB3 ARG A 57 5.630 10.090 -3.966 1.00 0.00 H new ATOM 0 HG2 ARG A 57 8.032 9.494 -5.104 1.00 0.00 H new ATOM 0 HG3 ARG A 57 6.995 9.186 -6.482 1.00 0.00 H new ATOM 0 HD2 ARG A 57 6.845 11.417 -6.869 1.00 0.00 H new ATOM 0 HD3 ARG A 57 6.077 11.638 -5.310 1.00 0.00 H new ATOM 0 HE ARG A 57 8.877 11.350 -4.821 1.00 0.00 H new ATOM 0 HH11 ARG A 57 6.655 13.600 -6.426 1.00 0.00 H new ATOM 0 HH12 ARG A 57 7.691 15.005 -6.157 1.00 0.00 H new ATOM 0 HH21 ARG A 57 10.219 13.165 -4.473 1.00 0.00 H new ATOM 0 HH22 ARG A 57 9.716 14.758 -5.048 1.00 0.00 H new ATOM 862 N GLU A 58 4.367 8.330 -2.484 1.00 0.00 N ATOM 863 CA GLU A 58 3.175 7.873 -1.790 1.00 0.00 C ATOM 864 C GLU A 58 1.920 8.300 -2.553 1.00 0.00 C ATOM 865 O GLU A 58 1.938 9.293 -3.279 1.00 0.00 O ATOM 866 CB GLU A 58 3.146 8.392 -0.351 1.00 0.00 C ATOM 867 CG GLU A 58 3.425 9.895 -0.305 1.00 0.00 C ATOM 868 CD GLU A 58 4.929 10.173 -0.277 1.00 0.00 C ATOM 869 OE1 GLU A 58 5.621 9.476 0.497 1.00 0.00 O ATOM 870 OE2 GLU A 58 5.353 11.077 -1.029 1.00 0.00 O ATOM 0 H GLU A 58 4.484 9.343 -2.510 1.00 0.00 H new ATOM 0 HA GLU A 58 3.197 6.784 -1.748 1.00 0.00 H new ATOM 0 HB2 GLU A 58 2.173 8.185 0.094 1.00 0.00 H new ATOM 0 HB3 GLU A 58 3.889 7.862 0.246 1.00 0.00 H new ATOM 0 HG2 GLU A 58 2.978 10.378 -1.174 1.00 0.00 H new ATOM 0 HG3 GLU A 58 2.955 10.329 0.578 1.00 0.00 H new ATOM 877 N LEU A 59 0.859 7.530 -2.362 1.00 0.00 N ATOM 878 CA LEU A 59 -0.403 7.816 -3.023 1.00 0.00 C ATOM 879 C LEU A 59 -1.500 7.981 -1.970 1.00 0.00 C ATOM 880 O LEU A 59 -1.465 7.331 -0.926 1.00 0.00 O ATOM 881 CB LEU A 59 -0.713 6.747 -4.073 1.00 0.00 C ATOM 882 CG LEU A 59 -1.942 7.002 -4.948 1.00 0.00 C ATOM 883 CD1 LEU A 59 -1.787 8.299 -5.745 1.00 0.00 C ATOM 884 CD2 LEU A 59 -2.229 5.803 -5.854 1.00 0.00 C ATOM 0 H LEU A 59 0.847 6.708 -1.759 1.00 0.00 H new ATOM 0 HA LEU A 59 -0.342 8.757 -3.569 1.00 0.00 H new ATOM 0 HB2 LEU A 59 0.156 6.642 -4.723 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -0.847 5.793 -3.563 1.00 0.00 H new ATOM 0 HG LEU A 59 -2.806 7.126 -4.296 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -2.674 8.457 -6.359 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -1.667 9.136 -5.058 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -0.909 8.229 -6.387 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -3.107 6.011 -6.465 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -1.371 5.623 -6.501 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -2.414 4.920 -5.242 1.00 0.00 H new ATOM 896 N ASP A 60 -2.448 8.853 -2.280 1.00 0.00 N ATOM 897 CA ASP A 60 -3.553 9.111 -1.373 1.00 0.00 C ATOM 898 C ASP A 60 -4.210 7.785 -0.985 1.00 0.00 C ATOM 899 O ASP A 60 -4.031 6.777 -1.667 1.00 0.00 O ATOM 900 CB ASP A 60 -4.617 9.989 -2.036 1.00 0.00 C ATOM 901 CG ASP A 60 -5.105 11.165 -1.188 1.00 0.00 C ATOM 902 OD1 ASP A 60 -4.279 11.681 -0.404 1.00 0.00 O ATOM 903 OD2 ASP A 60 -6.293 11.522 -1.343 1.00 0.00 O ATOM 0 H ASP A 60 -2.474 9.390 -3.147 1.00 0.00 H new ATOM 0 HA ASP A 60 -3.156 9.624 -0.497 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -4.215 10.377 -2.972 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -5.473 9.365 -2.292 1.00 0.00 H new ATOM 908 N TRP A 61 -4.956 7.828 0.109 1.00 0.00 N ATOM 909 CA TRP A 61 -5.640 6.642 0.596 1.00 0.00 C ATOM 910 C TRP A 61 -6.727 6.275 -0.416 1.00 0.00 C ATOM 911 O TRP A 61 -6.803 5.132 -0.864 1.00 0.00 O ATOM 912 CB TRP A 61 -6.187 6.865 2.007 1.00 0.00 C ATOM 913 CG TRP A 61 -7.627 6.385 2.199 1.00 0.00 C ATOM 914 CD1 TRP A 61 -8.660 7.064 2.715 1.00 0.00 C ATOM 915 CD2 TRP A 61 -8.154 5.086 1.855 1.00 0.00 C ATOM 916 NE1 TRP A 61 -9.810 6.301 2.729 1.00 0.00 N ATOM 917 CE2 TRP A 61 -9.492 5.060 2.189 1.00 0.00 C ATOM 918 CE3 TRP A 61 -7.520 3.970 1.280 1.00 0.00 C ATOM 919 CZ2 TRP A 61 -10.311 3.943 1.986 1.00 0.00 C ATOM 920 CZ3 TRP A 61 -8.352 2.862 1.084 1.00 0.00 C ATOM 921 CH2 TRP A 61 -9.702 2.820 1.415 1.00 0.00 C ATOM 0 H TRP A 61 -5.102 8.666 0.672 1.00 0.00 H new ATOM 0 HA TRP A 61 -4.947 5.805 0.682 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -5.545 6.349 2.720 1.00 0.00 H new ATOM 0 HB3 TRP A 61 -6.135 7.928 2.242 1.00 0.00 H new ATOM 0 HD1 TRP A 61 -8.600 8.081 3.075 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -10.725 6.594 3.072 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -6.474 3.968 1.011 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -11.357 3.948 2.256 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -7.915 1.977 0.645 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -10.278 1.925 1.232 1.00 0.00 H new ATOM 932 N PRO A 62 -7.564 7.292 -0.754 1.00 0.00 N ATOM 933 CA PRO A 62 -8.644 7.087 -1.705 1.00 0.00 C ATOM 934 C PRO A 62 -8.108 7.007 -3.135 1.00 0.00 C ATOM 935 O PRO A 62 -7.531 7.968 -3.641 1.00 0.00 O ATOM 936 CB PRO A 62 -9.586 8.261 -1.488 1.00 0.00 C ATOM 937 CG PRO A 62 -8.773 9.319 -0.759 1.00 0.00 C ATOM 938 CD PRO A 62 -7.505 8.658 -0.243 1.00 0.00 C ATOM 0 HA PRO A 62 -9.165 6.142 -1.553 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -9.960 8.642 -2.438 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -10.454 7.962 -0.900 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -8.528 10.142 -1.430 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -9.347 9.740 0.066 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -6.615 9.176 -0.600 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -7.466 8.672 0.846 1.00 0.00 H new ATOM 946 N PHE A 63 -8.318 5.851 -3.748 1.00 0.00 N ATOM 947 CA PHE A 63 -7.863 5.632 -5.110 1.00 0.00 C ATOM 948 C PHE A 63 -8.628 4.480 -5.765 1.00 0.00 C ATOM 949 O PHE A 63 -9.439 3.820 -5.117 1.00 0.00 O ATOM 950 CB PHE A 63 -6.380 5.264 -5.033 1.00 0.00 C ATOM 951 CG PHE A 63 -5.996 4.490 -3.770 1.00 0.00 C ATOM 952 CD1 PHE A 63 -6.813 3.511 -3.298 1.00 0.00 C ATOM 953 CD2 PHE A 63 -4.837 4.781 -3.120 1.00 0.00 C ATOM 954 CE1 PHE A 63 -6.457 2.793 -2.126 1.00 0.00 C ATOM 955 CE2 PHE A 63 -4.481 4.062 -1.948 1.00 0.00 C ATOM 956 CZ PHE A 63 -5.298 3.083 -1.476 1.00 0.00 C ATOM 0 H PHE A 63 -8.798 5.056 -3.326 1.00 0.00 H new ATOM 0 HA PHE A 63 -8.029 6.529 -5.706 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -6.119 4.667 -5.906 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -5.787 6.177 -5.082 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -7.733 3.280 -3.815 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -4.188 5.558 -3.495 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -7.107 2.016 -1.751 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -3.561 4.293 -1.432 1.00 0.00 H new ATOM 0 HZ PHE A 63 -5.027 2.536 -0.585 1.00 0.00 H new ATOM 966 N ASP A 64 -8.344 4.274 -7.043 1.00 0.00 N ATOM 967 CA ASP A 64 -8.995 3.214 -7.793 1.00 0.00 C ATOM 968 C ASP A 64 -7.957 2.159 -8.182 1.00 0.00 C ATOM 969 O ASP A 64 -6.803 2.235 -7.765 1.00 0.00 O ATOM 970 CB ASP A 64 -9.624 3.755 -9.079 1.00 0.00 C ATOM 971 CG ASP A 64 -10.410 5.057 -8.915 1.00 0.00 C ATOM 972 OD1 ASP A 64 -10.772 5.360 -7.758 1.00 0.00 O ATOM 973 OD2 ASP A 64 -10.632 5.720 -9.952 1.00 0.00 O ATOM 0 H ASP A 64 -7.672 4.824 -7.578 1.00 0.00 H new ATOM 0 HA ASP A 64 -9.774 2.785 -7.163 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -8.834 3.915 -9.813 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -10.290 2.995 -9.488 1.00 0.00 H new ATOM 978 N ALA A 65 -8.406 1.199 -8.977 1.00 0.00 N ATOM 979 CA ALA A 65 -7.531 0.130 -9.427 1.00 0.00 C ATOM 980 C ALA A 65 -6.618 0.657 -10.536 1.00 0.00 C ATOM 981 O ALA A 65 -5.404 0.467 -10.488 1.00 0.00 O ATOM 982 CB ALA A 65 -8.374 -1.062 -9.883 1.00 0.00 C ATOM 0 H ALA A 65 -9.364 1.139 -9.321 1.00 0.00 H new ATOM 0 HA ALA A 65 -6.895 -0.214 -8.612 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -7.718 -1.864 -10.221 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -8.982 -1.417 -9.051 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -9.024 -0.756 -10.703 1.00 0.00 H new ATOM 988 N PRO A 66 -7.254 1.326 -11.535 1.00 0.00 N ATOM 989 CA PRO A 66 -6.512 1.881 -12.654 1.00 0.00 C ATOM 990 C PRO A 66 -5.759 3.147 -12.239 1.00 0.00 C ATOM 991 O PRO A 66 -4.778 3.527 -12.875 1.00 0.00 O ATOM 992 CB PRO A 66 -7.556 2.137 -13.729 1.00 0.00 C ATOM 993 CG PRO A 66 -8.897 2.152 -13.014 1.00 0.00 C ATOM 994 CD PRO A 66 -8.690 1.570 -11.625 1.00 0.00 C ATOM 0 HA PRO A 66 -5.738 1.207 -13.021 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -7.372 3.085 -14.234 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -7.529 1.359 -14.492 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -9.283 3.169 -12.948 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -9.632 1.567 -13.568 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -9.023 2.263 -10.852 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -9.257 0.649 -11.493 1.00 0.00 H new ATOM 1002 N ARG A 67 -6.248 3.765 -11.173 1.00 0.00 N ATOM 1003 CA ARG A 67 -5.634 4.980 -10.666 1.00 0.00 C ATOM 1004 C ARG A 67 -4.423 4.638 -9.795 1.00 0.00 C ATOM 1005 O ARG A 67 -3.446 5.386 -9.763 1.00 0.00 O ATOM 1006 CB ARG A 67 -6.630 5.798 -9.842 1.00 0.00 C ATOM 1007 CG ARG A 67 -6.529 7.287 -10.181 1.00 0.00 C ATOM 1008 CD ARG A 67 -7.912 7.942 -10.194 1.00 0.00 C ATOM 1009 NE ARG A 67 -8.134 8.630 -11.485 1.00 0.00 N ATOM 1010 CZ ARG A 67 -7.476 9.731 -11.872 1.00 0.00 C ATOM 1011 NH1 ARG A 67 -6.552 10.277 -11.070 1.00 0.00 N ATOM 1012 NH2 ARG A 67 -7.744 10.288 -13.062 1.00 0.00 N ATOM 0 H ARG A 67 -7.062 3.447 -10.647 1.00 0.00 H new ATOM 0 HA ARG A 67 -5.315 5.573 -11.523 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -7.643 5.445 -10.035 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -6.437 5.649 -8.780 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -5.893 7.787 -9.451 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -6.055 7.411 -11.155 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -8.682 7.187 -10.038 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -7.993 8.655 -9.374 1.00 0.00 H new ATOM 0 HE ARG A 67 -8.832 8.242 -12.120 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -6.349 9.854 -10.164 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -6.051 11.115 -11.365 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -8.449 9.873 -13.672 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -7.243 11.126 -13.357 1.00 0.00 H new ATOM 1026 N LEU A 68 -4.526 3.508 -9.111 1.00 0.00 N ATOM 1027 CA LEU A 68 -3.451 3.059 -8.243 1.00 0.00 C ATOM 1028 C LEU A 68 -2.354 2.410 -9.089 1.00 0.00 C ATOM 1029 O LEU A 68 -1.169 2.556 -8.794 1.00 0.00 O ATOM 1030 CB LEU A 68 -3.997 2.148 -7.142 1.00 0.00 C ATOM 1031 CG LEU A 68 -3.044 1.851 -5.982 1.00 0.00 C ATOM 1032 CD1 LEU A 68 -3.477 2.587 -4.713 1.00 0.00 C ATOM 1033 CD2 LEU A 68 -2.912 0.343 -5.753 1.00 0.00 C ATOM 0 H LEU A 68 -5.337 2.890 -9.140 1.00 0.00 H new ATOM 0 HA LEU A 68 -2.998 3.907 -7.729 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -4.900 2.603 -6.736 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -4.293 1.201 -7.595 1.00 0.00 H new ATOM 0 HG LEU A 68 -2.055 2.225 -6.249 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.782 2.358 -3.905 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.478 3.661 -4.898 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.480 2.267 -4.431 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.229 0.159 -4.923 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.890 -0.076 -5.518 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -2.522 -0.129 -6.655 1.00 0.00 H new ATOM 1045 N ARG A 69 -2.788 1.708 -10.126 1.00 0.00 N ATOM 1046 CA ARG A 69 -1.858 1.037 -11.017 1.00 0.00 C ATOM 1047 C ARG A 69 -1.109 2.061 -11.872 1.00 0.00 C ATOM 1048 O ARG A 69 0.114 2.002 -11.989 1.00 0.00 O ATOM 1049 CB ARG A 69 -2.587 0.053 -11.934 1.00 0.00 C ATOM 1050 CG ARG A 69 -1.609 -0.948 -12.553 1.00 0.00 C ATOM 1051 CD ARG A 69 -1.220 -0.528 -13.972 1.00 0.00 C ATOM 1052 NE ARG A 69 -1.132 -1.719 -14.846 1.00 0.00 N ATOM 1053 CZ ARG A 69 -1.143 -1.671 -16.185 1.00 0.00 C ATOM 1054 NH1 ARG A 69 -1.238 -0.491 -16.812 1.00 0.00 N ATOM 1055 NH2 ARG A 69 -1.059 -2.803 -16.897 1.00 0.00 N ATOM 0 H ARG A 69 -3.772 1.590 -10.369 1.00 0.00 H new ATOM 0 HA ARG A 69 -1.148 0.485 -10.401 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -3.349 -0.481 -11.367 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -3.102 0.600 -12.724 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -0.715 -1.020 -11.933 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -2.062 -1.939 -12.575 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -1.957 0.170 -14.368 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -0.263 -0.007 -13.956 1.00 0.00 H new ATOM 0 HE ARG A 69 -1.058 -2.634 -14.401 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -1.302 0.371 -16.270 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -1.246 -0.454 -17.831 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -0.987 -3.702 -16.420 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -1.067 -2.766 -17.916 1.00 0.00 H new ATOM 1069 N ALA A 70 -1.875 2.976 -12.448 1.00 0.00 N ATOM 1070 CA ALA A 70 -1.299 4.012 -13.289 1.00 0.00 C ATOM 1071 C ALA A 70 -0.251 4.788 -12.489 1.00 0.00 C ATOM 1072 O ALA A 70 0.752 5.235 -13.044 1.00 0.00 O ATOM 1073 CB ALA A 70 -2.414 4.916 -13.821 1.00 0.00 C ATOM 0 H ALA A 70 -2.889 3.022 -12.349 1.00 0.00 H new ATOM 0 HA ALA A 70 -0.797 3.572 -14.151 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -1.982 5.693 -14.452 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -3.116 4.322 -14.406 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -2.939 5.377 -12.984 1.00 0.00 H new ATOM 1079 N TRP A 71 -0.518 4.923 -11.199 1.00 0.00 N ATOM 1080 CA TRP A 71 0.390 5.637 -10.317 1.00 0.00 C ATOM 1081 C TRP A 71 1.651 4.788 -10.150 1.00 0.00 C ATOM 1082 O TRP A 71 2.762 5.316 -10.143 1.00 0.00 O ATOM 1083 CB TRP A 71 -0.287 5.971 -8.987 1.00 0.00 C ATOM 1084 CG TRP A 71 0.635 6.652 -7.973 1.00 0.00 C ATOM 1085 CD1 TRP A 71 1.014 7.937 -7.936 1.00 0.00 C ATOM 1086 CD2 TRP A 71 1.281 6.028 -6.844 1.00 0.00 C ATOM 1087 NE1 TRP A 71 1.855 8.185 -6.870 1.00 0.00 N ATOM 1088 CE2 TRP A 71 2.022 6.987 -6.185 1.00 0.00 C ATOM 1089 CE3 TRP A 71 1.241 4.696 -6.394 1.00 0.00 C ATOM 1090 CZ2 TRP A 71 2.779 6.718 -5.038 1.00 0.00 C ATOM 1091 CZ3 TRP A 71 2.003 4.443 -5.247 1.00 0.00 C ATOM 1092 CH2 TRP A 71 2.754 5.398 -4.572 1.00 0.00 C ATOM 0 H TRP A 71 -1.350 4.550 -10.743 1.00 0.00 H new ATOM 0 HA TRP A 71 0.672 6.597 -10.748 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -1.141 6.620 -9.179 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -0.677 5.052 -8.549 1.00 0.00 H new ATOM 0 HD1 TRP A 71 0.701 8.684 -8.650 1.00 0.00 H new ATOM 0 HE1 TRP A 71 2.276 9.082 -6.629 1.00 0.00 H new ATOM 0 HE3 TRP A 71 0.668 3.929 -6.894 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 3.351 7.487 -4.540 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 2.008 3.435 -4.860 1.00 0.00 H new ATOM 0 HH2 TRP A 71 3.316 5.123 -3.692 1.00 0.00 H new ATOM 1103 N LEU A 72 1.437 3.487 -10.020 1.00 0.00 N ATOM 1104 CA LEU A 72 2.544 2.560 -9.853 1.00 0.00 C ATOM 1105 C LEU A 72 3.477 2.664 -11.061 1.00 0.00 C ATOM 1106 O LEU A 72 4.692 2.775 -10.903 1.00 0.00 O ATOM 1107 CB LEU A 72 2.022 1.144 -9.599 1.00 0.00 C ATOM 1108 CG LEU A 72 1.369 0.905 -8.236 1.00 0.00 C ATOM 1109 CD1 LEU A 72 0.409 -0.286 -8.290 1.00 0.00 C ATOM 1110 CD2 LEU A 72 2.426 0.740 -7.142 1.00 0.00 C ATOM 0 H LEU A 72 0.514 3.053 -10.027 1.00 0.00 H new ATOM 0 HA LEU A 72 3.131 2.822 -8.973 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.296 0.901 -10.375 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.852 0.447 -9.709 1.00 0.00 H new ATOM 0 HG LEU A 72 0.778 1.785 -7.982 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -0.042 -0.435 -7.309 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -0.374 -0.090 -9.023 1.00 0.00 H new ATOM 0 HD13 LEU A 72 0.958 -1.183 -8.577 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.935 0.571 -6.184 1.00 0.00 H new ATOM 0 HD22 LEU A 72 3.064 -0.112 -7.378 1.00 0.00 H new ATOM 0 HD23 LEU A 72 3.034 1.643 -7.084 1.00 0.00 H new ATOM 1122 N ASP A 73 2.874 2.625 -12.240 1.00 0.00 N ATOM 1123 CA ASP A 73 3.636 2.713 -13.474 1.00 0.00 C ATOM 1124 C ASP A 73 4.216 4.122 -13.610 1.00 0.00 C ATOM 1125 O ASP A 73 5.330 4.294 -14.102 1.00 0.00 O ATOM 1126 CB ASP A 73 2.747 2.448 -14.690 1.00 0.00 C ATOM 1127 CG ASP A 73 2.627 0.977 -15.095 1.00 0.00 C ATOM 1128 OD1 ASP A 73 3.380 0.165 -14.514 1.00 0.00 O ATOM 1129 OD2 ASP A 73 1.786 0.698 -15.976 1.00 0.00 O ATOM 0 H ASP A 73 1.866 2.534 -12.367 1.00 0.00 H new ATOM 0 HA ASP A 73 4.427 1.964 -13.436 1.00 0.00 H new ATOM 0 HB2 ASP A 73 1.749 2.835 -14.483 1.00 0.00 H new ATOM 0 HB3 ASP A 73 3.138 3.012 -15.537 1.00 0.00 H new ATOM 1134 N ALA A 74 3.434 5.095 -13.165 1.00 0.00 N ATOM 1135 CA ALA A 74 3.856 6.484 -13.232 1.00 0.00 C ATOM 1136 C ALA A 74 5.298 6.598 -12.735 1.00 0.00 C ATOM 1137 O ALA A 74 6.019 7.520 -13.116 1.00 0.00 O ATOM 1138 CB ALA A 74 2.889 7.350 -12.422 1.00 0.00 C ATOM 0 H ALA A 74 2.511 4.949 -12.757 1.00 0.00 H new ATOM 0 HA ALA A 74 3.833 6.844 -14.261 1.00 0.00 H new ATOM 0 HB1 ALA A 74 3.205 8.392 -12.472 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.884 7.255 -12.833 1.00 0.00 H new ATOM 0 HB3 ALA A 74 2.888 7.020 -11.383 1.00 0.00 H new ATOM 1144 N ALA A 75 5.677 5.649 -11.891 1.00 0.00 N ATOM 1145 CA ALA A 75 7.020 5.632 -11.338 1.00 0.00 C ATOM 1146 C ALA A 75 8.027 5.958 -12.443 1.00 0.00 C ATOM 1147 O ALA A 75 7.790 5.656 -13.612 1.00 0.00 O ATOM 1148 CB ALA A 75 7.288 4.273 -10.688 1.00 0.00 C ATOM 0 H ALA A 75 5.077 4.886 -11.577 1.00 0.00 H new ATOM 0 HA ALA A 75 7.124 6.391 -10.562 1.00 0.00 H new ATOM 0 HB1 ALA A 75 8.296 4.261 -10.273 1.00 0.00 H new ATOM 0 HB2 ALA A 75 6.565 4.102 -9.890 1.00 0.00 H new ATOM 0 HB3 ALA A 75 7.194 3.487 -11.437 1.00 0.00 H new ATOM 1154 N PRO A 76 9.158 6.586 -12.024 1.00 0.00 N ATOM 1155 CA PRO A 76 10.201 6.956 -12.966 1.00 0.00 C ATOM 1156 C PRO A 76 11.003 5.730 -13.405 1.00 0.00 C ATOM 1157 O PRO A 76 10.781 4.627 -12.907 1.00 0.00 O ATOM 1158 CB PRO A 76 11.045 7.986 -12.233 1.00 0.00 C ATOM 1159 CG PRO A 76 10.725 7.813 -10.757 1.00 0.00 C ATOM 1160 CD PRO A 76 9.472 6.959 -10.648 1.00 0.00 C ATOM 0 HA PRO A 76 9.804 7.372 -13.892 1.00 0.00 H new ATOM 0 HB2 PRO A 76 12.107 7.828 -12.424 1.00 0.00 H new ATOM 0 HB3 PRO A 76 10.808 8.996 -12.568 1.00 0.00 H new ATOM 0 HG2 PRO A 76 11.558 7.337 -10.239 1.00 0.00 H new ATOM 0 HG3 PRO A 76 10.568 8.783 -10.284 1.00 0.00 H new ATOM 0 HD2 PRO A 76 9.645 6.079 -10.029 1.00 0.00 H new ATOM 0 HD3 PRO A 76 8.653 7.514 -10.191 1.00 0.00 H new ATOM 1168 N HIS A 77 11.920 5.963 -14.333 1.00 0.00 N ATOM 1169 CA HIS A 77 12.756 4.891 -14.845 1.00 0.00 C ATOM 1170 C HIS A 77 14.050 4.816 -14.031 1.00 0.00 C ATOM 1171 O HIS A 77 14.312 3.815 -13.366 1.00 0.00 O ATOM 1172 CB HIS A 77 13.008 5.067 -16.344 1.00 0.00 C ATOM 1173 CG HIS A 77 11.978 4.399 -17.222 1.00 0.00 C ATOM 1174 ND1 HIS A 77 11.693 4.831 -18.506 1.00 0.00 N ATOM 1175 CD2 HIS A 77 11.168 3.326 -16.989 1.00 0.00 C ATOM 1176 CE1 HIS A 77 10.753 4.047 -19.013 1.00 0.00 C ATOM 1177 NE2 HIS A 77 10.429 3.116 -18.071 1.00 0.00 N ATOM 0 H HIS A 77 12.102 6.879 -14.743 1.00 0.00 H new ATOM 0 HA HIS A 77 12.240 3.937 -14.732 1.00 0.00 H new ATOM 0 HB2 HIS A 77 13.032 6.132 -16.575 1.00 0.00 H new ATOM 0 HB3 HIS A 77 13.992 4.666 -16.586 1.00 0.00 H new ATOM 0 HD2 HIS A 77 11.134 2.746 -16.079 1.00 0.00 H new ATOM 0 HE1 HIS A 77 10.320 4.131 -19.999 1.00 0.00 H new ATOM 0 HE2 HIS A 77 9.733 2.379 -18.180 1.00 0.00 H new ATOM 1185 N ALA A 78 14.824 5.888 -14.110 1.00 0.00 N ATOM 1186 CA ALA A 78 16.084 5.957 -13.390 1.00 0.00 C ATOM 1187 C ALA A 78 15.867 5.492 -11.948 1.00 0.00 C ATOM 1188 O ALA A 78 15.311 6.227 -11.132 1.00 0.00 O ATOM 1189 CB ALA A 78 16.640 7.380 -13.466 1.00 0.00 C ATOM 0 H ALA A 78 14.603 6.717 -14.662 1.00 0.00 H new ATOM 0 HA ALA A 78 16.822 5.295 -13.844 1.00 0.00 H new ATOM 0 HB1 ALA A 78 17.585 7.431 -12.926 1.00 0.00 H new ATOM 0 HB2 ALA A 78 16.803 7.652 -14.509 1.00 0.00 H new ATOM 0 HB3 ALA A 78 15.928 8.073 -13.018 1.00 0.00 H new TER 1195 ALA A 78