USER MOD reduce.3.24.130724 H: found=0, std=0, add=611, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 612 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 136:sc= -0.911 (180deg=-4.01!) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.00949) USER MOD Single : A 8 GLN : amide:sc= -1.16 X(o=-1.2,f=-1.5) USER MOD Single : A 9 SER OG : rot 119:sc= 0.145 USER MOD Single : A 20 THR OG1 : rot 133:sc= 0.085 USER MOD Single : A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 CYS SG : rot 180:sc= -1.41 USER MOD Single : A 24 ASN : amide:sc= -0.377 K(o=-0.38,f=-2.6!) USER MOD Single : A 31 ASN : amide:sc= 0.641 K(o=0.64,f=-3.1!) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 CYS SG : rot 62:sc= 0.895 USER MOD Single : A 36 LYS NZ :NH3+ 152:sc= -0.0557 (180deg=-0.639) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 103:sc= 1.23 USER MOD Single : A 50 HIS : no HD1:sc= -0.0722 K(o=-0.072,f=-1.1) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot -130:sc= -0.3 USER MOD Single : A 62 GLN : amide:sc= 0.109 K(o=0.11,f=-4.6!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot -60:sc= 1.08 USER MOD Single : A 75 HIS : no HD1:sc= -0.377 X(o=-0.38,f=-0.43) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.198 7.267 -6.510 1.00 0.00 N ATOM 2 CA MET A 1 -4.945 5.994 -5.784 1.00 0.00 C ATOM 3 C MET A 1 -4.914 6.217 -4.277 1.00 0.00 C ATOM 4 O MET A 1 -4.746 7.343 -3.809 1.00 0.00 O ATOM 5 CB MET A 1 -3.610 5.419 -6.261 1.00 0.00 C ATOM 6 CG MET A 1 -3.583 3.899 -6.308 1.00 0.00 C ATOM 7 SD MET A 1 -2.587 3.265 -7.671 1.00 0.00 S ATOM 8 CE MET A 1 -2.728 1.500 -7.402 1.00 0.00 C ATOM 0 H1 MET A 1 -5.214 7.085 -7.534 1.00 0.00 H new ATOM 0 H2 MET A 1 -6.114 7.659 -6.214 1.00 0.00 H new ATOM 0 H3 MET A 1 -4.443 7.948 -6.291 1.00 0.00 H new ATOM 0 HA MET A 1 -5.753 5.294 -5.995 1.00 0.00 H new ATOM 0 HB2 MET A 1 -3.391 5.809 -7.255 1.00 0.00 H new ATOM 0 HB3 MET A 1 -2.817 5.768 -5.600 1.00 0.00 H new ATOM 0 HG2 MET A 1 -3.189 3.517 -5.366 1.00 0.00 H new ATOM 0 HG3 MET A 1 -4.602 3.524 -6.402 1.00 0.00 H new ATOM 0 HE1 MET A 1 -2.910 1.000 -8.354 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.803 1.124 -6.965 1.00 0.00 H new ATOM 0 HE3 MET A 1 -3.557 1.300 -6.723 1.00 0.00 H new ATOM 20 N ARG A 2 -5.078 5.137 -3.521 1.00 0.00 N ATOM 21 CA ARG A 2 -5.070 5.214 -2.064 1.00 0.00 C ATOM 22 C ARG A 2 -4.414 3.980 -1.458 1.00 0.00 C ATOM 23 O ARG A 2 -4.330 2.933 -2.096 1.00 0.00 O ATOM 24 CB ARG A 2 -6.497 5.352 -1.529 1.00 0.00 C ATOM 25 CG ARG A 2 -7.494 4.422 -2.205 1.00 0.00 C ATOM 26 CD ARG A 2 -8.665 5.189 -2.804 1.00 0.00 C ATOM 27 NE ARG A 2 -8.633 5.181 -4.265 1.00 0.00 N ATOM 28 CZ ARG A 2 -9.327 6.024 -5.026 1.00 0.00 C ATOM 29 NH1 ARG A 2 -10.107 6.943 -4.470 1.00 0.00 N ATOM 30 NH2 ARG A 2 -9.241 5.949 -6.347 1.00 0.00 N ATOM 0 H ARG A 2 -5.218 4.198 -3.893 1.00 0.00 H new ATOM 0 HA ARG A 2 -4.493 6.093 -1.778 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -6.495 5.152 -0.458 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -6.827 6.382 -1.660 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -6.990 3.857 -2.989 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -7.866 3.699 -1.480 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -9.601 4.749 -2.459 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -8.645 6.218 -2.446 1.00 0.00 H new ATOM 0 HE ARG A 2 -8.044 4.489 -4.729 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -10.177 7.006 -3.454 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -10.636 7.586 -5.058 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -8.643 5.245 -6.780 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -9.773 6.595 -6.930 1.00 0.00 H new ATOM 44 N ILE A 3 -3.957 4.109 -0.216 1.00 0.00 N ATOM 45 CA ILE A 3 -3.314 3.004 0.487 1.00 0.00 C ATOM 46 C ILE A 3 -4.153 1.731 0.402 1.00 0.00 C ATOM 47 O ILE A 3 -3.627 0.623 0.502 1.00 0.00 O ATOM 48 CB ILE A 3 -3.071 3.358 1.969 1.00 0.00 C ATOM 49 CG1 ILE A 3 -2.329 2.216 2.686 1.00 0.00 C ATOM 50 CG2 ILE A 3 -4.389 3.685 2.660 1.00 0.00 C ATOM 51 CD1 ILE A 3 -3.236 1.218 3.382 1.00 0.00 C ATOM 0 H ILE A 3 -4.020 4.971 0.326 1.00 0.00 H new ATOM 0 HA ILE A 3 -2.355 2.828 -0.000 1.00 0.00 H new ATOM 0 HB ILE A 3 -2.438 4.244 2.017 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -1.715 1.685 1.958 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -1.650 2.646 3.422 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -4.201 3.933 3.705 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -4.858 4.535 2.165 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -5.052 2.822 2.606 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -2.631 0.448 3.861 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -3.832 1.732 4.136 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -3.898 0.756 2.650 1.00 0.00 H new ATOM 63 N ASP A 4 -5.460 1.897 0.219 1.00 0.00 N ATOM 64 CA ASP A 4 -6.363 0.757 0.124 1.00 0.00 C ATOM 65 C ASP A 4 -6.161 0.000 -1.186 1.00 0.00 C ATOM 66 O ASP A 4 -5.910 -1.201 -1.183 1.00 0.00 O ATOM 67 CB ASP A 4 -7.817 1.221 0.242 1.00 0.00 C ATOM 68 CG ASP A 4 -8.650 0.294 1.104 1.00 0.00 C ATOM 69 OD1 ASP A 4 -8.163 -0.115 2.180 1.00 0.00 O ATOM 70 OD2 ASP A 4 -9.790 -0.023 0.707 1.00 0.00 O ATOM 0 H ASP A 4 -5.915 2.806 0.134 1.00 0.00 H new ATOM 0 HA ASP A 4 -6.136 0.079 0.947 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -7.842 2.226 0.664 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -8.258 1.282 -0.753 1.00 0.00 H new ATOM 75 N LYS A 5 -6.286 0.705 -2.305 1.00 0.00 N ATOM 76 CA LYS A 5 -6.129 0.090 -3.622 1.00 0.00 C ATOM 77 C LYS A 5 -4.681 0.149 -4.118 1.00 0.00 C ATOM 78 O LYS A 5 -4.365 -0.379 -5.183 1.00 0.00 O ATOM 79 CB LYS A 5 -7.052 0.777 -4.633 1.00 0.00 C ATOM 80 CG LYS A 5 -7.975 -0.185 -5.364 1.00 0.00 C ATOM 81 CD LYS A 5 -8.799 0.531 -6.422 1.00 0.00 C ATOM 82 CE LYS A 5 -10.154 0.957 -5.880 1.00 0.00 C ATOM 83 NZ LYS A 5 -10.158 2.383 -5.452 1.00 0.00 N ATOM 0 H LYS A 5 -6.496 1.703 -2.329 1.00 0.00 H new ATOM 0 HA LYS A 5 -6.401 -0.961 -3.526 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -7.655 1.523 -4.114 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -6.444 1.311 -5.364 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -7.385 -0.973 -5.832 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -8.640 -0.668 -4.648 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -8.256 1.407 -6.776 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -8.940 -0.125 -7.281 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -10.915 0.806 -6.646 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -10.422 0.324 -5.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -10.836 2.510 -4.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -9.206 2.651 -5.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -10.435 2.985 -6.253 1.00 0.00 H new ATOM 97 N PHE A 6 -3.809 0.808 -3.362 1.00 0.00 N ATOM 98 CA PHE A 6 -2.408 0.945 -3.757 1.00 0.00 C ATOM 99 C PHE A 6 -1.606 -0.330 -3.496 1.00 0.00 C ATOM 100 O PHE A 6 -1.092 -0.950 -4.429 1.00 0.00 O ATOM 101 CB PHE A 6 -1.761 2.119 -3.019 1.00 0.00 C ATOM 102 CG PHE A 6 -0.391 2.466 -3.527 1.00 0.00 C ATOM 103 CD1 PHE A 6 -0.235 3.309 -4.616 1.00 0.00 C ATOM 104 CD2 PHE A 6 0.741 1.949 -2.916 1.00 0.00 C ATOM 105 CE1 PHE A 6 1.024 3.631 -5.085 1.00 0.00 C ATOM 106 CE2 PHE A 6 2.003 2.268 -3.382 1.00 0.00 C ATOM 107 CZ PHE A 6 2.144 3.110 -4.468 1.00 0.00 C ATOM 0 H PHE A 6 -4.044 1.255 -2.476 1.00 0.00 H new ATOM 0 HA PHE A 6 -2.395 1.132 -4.831 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -2.405 2.994 -3.109 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -1.696 1.879 -1.958 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -1.107 3.719 -5.103 1.00 0.00 H new ATOM 0 HD2 PHE A 6 0.636 1.290 -2.067 1.00 0.00 H new ATOM 0 HE1 PHE A 6 1.132 4.290 -5.934 1.00 0.00 H new ATOM 0 HE2 PHE A 6 2.877 1.859 -2.898 1.00 0.00 H new ATOM 0 HZ PHE A 6 3.129 3.360 -4.834 1.00 0.00 H new ATOM 117 N LEU A 7 -1.480 -0.705 -2.228 1.00 0.00 N ATOM 118 CA LEU A 7 -0.714 -1.891 -1.853 1.00 0.00 C ATOM 119 C LEU A 7 -1.537 -3.171 -1.976 1.00 0.00 C ATOM 120 O LEU A 7 -0.983 -4.269 -2.006 1.00 0.00 O ATOM 121 CB LEU A 7 -0.186 -1.748 -0.425 1.00 0.00 C ATOM 122 CG LEU A 7 -1.256 -1.533 0.649 1.00 0.00 C ATOM 123 CD1 LEU A 7 -1.804 -2.868 1.135 1.00 0.00 C ATOM 124 CD2 LEU A 7 -0.685 -0.734 1.811 1.00 0.00 C ATOM 0 H LEU A 7 -1.897 -0.206 -1.442 1.00 0.00 H new ATOM 0 HA LEU A 7 0.122 -1.969 -2.548 1.00 0.00 H new ATOM 0 HB2 LEU A 7 0.383 -2.643 -0.174 1.00 0.00 H new ATOM 0 HB3 LEU A 7 0.510 -0.909 -0.395 1.00 0.00 H new ATOM 0 HG LEU A 7 -2.078 -0.967 0.210 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -2.563 -2.694 1.898 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -2.248 -3.406 0.297 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -0.994 -3.462 1.558 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -1.457 -0.589 2.567 1.00 0.00 H new ATOM 0 HD22 LEU A 7 0.154 -1.276 2.248 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -0.342 0.236 1.452 1.00 0.00 H new ATOM 136 N GLN A 8 -2.854 -3.031 -2.039 1.00 0.00 N ATOM 137 CA GLN A 8 -3.731 -4.189 -2.149 1.00 0.00 C ATOM 138 C GLN A 8 -3.918 -4.613 -3.604 1.00 0.00 C ATOM 139 O GLN A 8 -4.234 -5.770 -3.885 1.00 0.00 O ATOM 140 CB GLN A 8 -5.085 -3.882 -1.512 1.00 0.00 C ATOM 141 CG GLN A 8 -4.981 -3.443 -0.060 1.00 0.00 C ATOM 142 CD GLN A 8 -6.335 -3.317 0.609 1.00 0.00 C ATOM 143 OE1 GLN A 8 -7.255 -4.084 0.324 1.00 0.00 O ATOM 144 NE2 GLN A 8 -6.465 -2.346 1.506 1.00 0.00 N ATOM 0 H GLN A 8 -3.337 -2.133 -2.016 1.00 0.00 H new ATOM 0 HA GLN A 8 -3.262 -5.017 -1.618 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -5.580 -3.099 -2.087 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -5.716 -4.769 -1.572 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -4.373 -4.161 0.490 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -4.465 -2.484 -0.010 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -5.676 -1.733 1.712 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -7.354 -2.214 1.989 1.00 0.00 H new ATOM 153 N SER A 9 -3.720 -3.676 -4.526 1.00 0.00 N ATOM 154 CA SER A 9 -3.869 -3.964 -5.948 1.00 0.00 C ATOM 155 C SER A 9 -2.557 -4.470 -6.541 1.00 0.00 C ATOM 156 O SER A 9 -2.555 -5.282 -7.467 1.00 0.00 O ATOM 157 CB SER A 9 -4.334 -2.716 -6.699 1.00 0.00 C ATOM 158 OG SER A 9 -5.584 -2.263 -6.207 1.00 0.00 O ATOM 0 H SER A 9 -3.457 -2.713 -4.315 1.00 0.00 H new ATOM 0 HA SER A 9 -4.622 -4.745 -6.057 1.00 0.00 H new ATOM 0 HB2 SER A 9 -3.590 -1.926 -6.594 1.00 0.00 H new ATOM 0 HB3 SER A 9 -4.417 -2.937 -7.763 1.00 0.00 H new ATOM 0 HG SER A 9 -5.485 -1.357 -5.847 1.00 0.00 H new ATOM 164 N VAL A 10 -1.443 -3.983 -6.004 1.00 0.00 N ATOM 165 CA VAL A 10 -0.125 -4.387 -6.482 1.00 0.00 C ATOM 166 C VAL A 10 0.119 -5.872 -6.236 1.00 0.00 C ATOM 167 O VAL A 10 0.848 -6.523 -6.985 1.00 0.00 O ATOM 168 CB VAL A 10 0.994 -3.576 -5.799 1.00 0.00 C ATOM 169 CG1 VAL A 10 0.890 -2.105 -6.170 1.00 0.00 C ATOM 170 CG2 VAL A 10 0.945 -3.758 -4.289 1.00 0.00 C ATOM 0 H VAL A 10 -1.426 -3.309 -5.239 1.00 0.00 H new ATOM 0 HA VAL A 10 -0.105 -4.190 -7.554 1.00 0.00 H new ATOM 0 HB VAL A 10 1.954 -3.950 -6.154 1.00 0.00 H new ATOM 0 HG11 VAL A 10 1.688 -1.549 -5.679 1.00 0.00 H new ATOM 0 HG12 VAL A 10 0.983 -1.995 -7.250 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -0.076 -1.716 -5.847 1.00 0.00 H new ATOM 0 HG21 VAL A 10 1.743 -3.177 -3.826 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -0.019 -3.415 -3.912 1.00 0.00 H new ATOM 0 HG23 VAL A 10 1.075 -4.812 -4.045 1.00 0.00 H new ATOM 180 N GLY A 11 -0.493 -6.402 -5.183 1.00 0.00 N ATOM 181 CA GLY A 11 -0.329 -7.806 -4.856 1.00 0.00 C ATOM 182 C GLY A 11 0.406 -8.012 -3.547 1.00 0.00 C ATOM 183 O GLY A 11 1.287 -8.867 -3.447 1.00 0.00 O ATOM 0 H GLY A 11 -1.101 -5.883 -4.549 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -1.309 -8.280 -4.798 1.00 0.00 H new ATOM 0 HA3 GLY A 11 0.217 -8.302 -5.658 1.00 0.00 H new ATOM 187 N LEU A 12 0.045 -7.224 -2.540 1.00 0.00 N ATOM 188 CA LEU A 12 0.675 -7.317 -1.229 1.00 0.00 C ATOM 189 C LEU A 12 -0.296 -7.886 -0.198 1.00 0.00 C ATOM 190 O LEU A 12 0.076 -8.719 0.628 1.00 0.00 O ATOM 191 CB LEU A 12 1.168 -5.938 -0.781 1.00 0.00 C ATOM 192 CG LEU A 12 2.655 -5.860 -0.435 1.00 0.00 C ATOM 193 CD1 LEU A 12 3.048 -4.429 -0.103 1.00 0.00 C ATOM 194 CD2 LEU A 12 2.980 -6.788 0.726 1.00 0.00 C ATOM 0 H LEU A 12 -0.682 -6.512 -2.607 1.00 0.00 H new ATOM 0 HA LEU A 12 1.527 -7.992 -1.307 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.957 -5.219 -1.573 1.00 0.00 H new ATOM 0 HB3 LEU A 12 0.592 -5.629 0.091 1.00 0.00 H new ATOM 0 HG LEU A 12 3.230 -6.182 -1.303 1.00 0.00 H new ATOM 0 HD11 LEU A 12 4.110 -4.391 0.141 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.850 -3.789 -0.962 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.467 -4.081 0.751 1.00 0.00 H new ATOM 0 HD21 LEU A 12 4.043 -6.720 0.959 1.00 0.00 H new ATOM 0 HD22 LEU A 12 2.397 -6.496 1.600 1.00 0.00 H new ATOM 0 HD23 LEU A 12 2.733 -7.814 0.452 1.00 0.00 H new ATOM 206 N VAL A 13 -1.543 -7.426 -0.253 1.00 0.00 N ATOM 207 CA VAL A 13 -2.568 -7.886 0.676 1.00 0.00 C ATOM 208 C VAL A 13 -2.842 -9.377 0.505 1.00 0.00 C ATOM 209 O VAL A 13 -2.548 -9.956 -0.540 1.00 0.00 O ATOM 210 CB VAL A 13 -3.885 -7.105 0.488 1.00 0.00 C ATOM 211 CG1 VAL A 13 -4.469 -7.358 -0.897 1.00 0.00 C ATOM 212 CG2 VAL A 13 -4.885 -7.474 1.574 1.00 0.00 C ATOM 0 H VAL A 13 -1.867 -6.736 -0.931 1.00 0.00 H new ATOM 0 HA VAL A 13 -2.187 -7.707 1.681 1.00 0.00 H new ATOM 0 HB VAL A 13 -3.668 -6.040 0.573 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -5.397 -6.798 -1.008 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -3.757 -7.035 -1.657 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -4.671 -8.422 -1.018 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -5.808 -6.913 1.425 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -5.098 -8.542 1.525 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -4.467 -7.232 2.551 1.00 0.00 H new ATOM 337 N THR A 20 -11.715 -3.711 3.266 1.00 0.00 N ATOM 338 CA THR A 20 -10.357 -3.414 3.708 1.00 0.00 C ATOM 339 C THR A 20 -10.110 -3.962 5.114 1.00 0.00 C ATOM 340 O THR A 20 -9.515 -5.026 5.276 1.00 0.00 O ATOM 341 CB THR A 20 -10.096 -1.900 3.668 1.00 0.00 C ATOM 342 OG1 THR A 20 -9.116 -1.530 4.623 1.00 0.00 O ATOM 343 CG2 THR A 20 -11.329 -1.060 3.931 1.00 0.00 C ATOM 0 HA THR A 20 -9.663 -3.904 3.025 1.00 0.00 H new ATOM 0 HB THR A 20 -9.756 -1.703 2.651 1.00 0.00 H new ATOM 0 HG1 THR A 20 -8.452 -0.946 4.201 1.00 0.00 H new ATOM 0 HG21 THR A 20 -11.066 -0.003 3.886 1.00 0.00 H new ATOM 0 HG22 THR A 20 -12.085 -1.278 3.177 1.00 0.00 H new ATOM 0 HG23 THR A 20 -11.725 -1.294 4.919 1.00 0.00 H new ATOM 351 N ASP A 21 -10.571 -3.226 6.127 1.00 0.00 N ATOM 352 CA ASP A 21 -10.405 -3.632 7.524 1.00 0.00 C ATOM 353 C ASP A 21 -8.996 -3.330 8.040 1.00 0.00 C ATOM 354 O ASP A 21 -8.724 -3.473 9.232 1.00 0.00 O ATOM 355 CB ASP A 21 -10.711 -5.124 7.694 1.00 0.00 C ATOM 356 CG ASP A 21 -11.560 -5.404 8.919 1.00 0.00 C ATOM 357 OD1 ASP A 21 -12.411 -4.556 9.257 1.00 0.00 O ATOM 358 OD2 ASP A 21 -11.375 -6.473 9.538 1.00 0.00 O ATOM 0 H ASP A 21 -11.064 -2.342 6.005 1.00 0.00 H new ATOM 0 HA ASP A 21 -11.113 -3.050 8.114 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -11.227 -5.490 6.806 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -9.775 -5.678 7.770 1.00 0.00 H new ATOM 363 N MET A 22 -8.103 -2.912 7.145 1.00 0.00 N ATOM 364 CA MET A 22 -6.732 -2.595 7.527 1.00 0.00 C ATOM 365 C MET A 22 -6.656 -1.226 8.196 1.00 0.00 C ATOM 366 O MET A 22 -5.797 -0.986 9.046 1.00 0.00 O ATOM 367 CB MET A 22 -5.819 -2.628 6.300 1.00 0.00 C ATOM 368 CG MET A 22 -6.042 -3.839 5.408 1.00 0.00 C ATOM 369 SD MET A 22 -4.588 -4.902 5.296 1.00 0.00 S ATOM 370 CE MET A 22 -5.347 -6.523 5.366 1.00 0.00 C ATOM 0 H MET A 22 -8.305 -2.786 6.153 1.00 0.00 H new ATOM 0 HA MET A 22 -6.397 -3.347 8.241 1.00 0.00 H new ATOM 0 HB2 MET A 22 -5.978 -1.722 5.715 1.00 0.00 H new ATOM 0 HB3 MET A 22 -4.780 -2.617 6.630 1.00 0.00 H new ATOM 0 HG2 MET A 22 -6.881 -4.418 5.793 1.00 0.00 H new ATOM 0 HG3 MET A 22 -6.318 -3.503 4.409 1.00 0.00 H new ATOM 0 HE1 MET A 22 -4.574 -7.289 5.308 1.00 0.00 H new ATOM 0 HE2 MET A 22 -5.893 -6.629 6.303 1.00 0.00 H new ATOM 0 HE3 MET A 22 -6.036 -6.638 4.530 1.00 0.00 H new ATOM 380 N CYS A 23 -7.557 -0.331 7.806 1.00 0.00 N ATOM 381 CA CYS A 23 -7.589 1.015 8.368 1.00 0.00 C ATOM 382 C CYS A 23 -8.093 0.998 9.811 1.00 0.00 C ATOM 383 O CYS A 23 -7.890 1.956 10.557 1.00 0.00 O ATOM 384 CB CYS A 23 -8.479 1.923 7.517 1.00 0.00 C ATOM 385 SG CYS A 23 -10.203 1.388 7.420 1.00 0.00 S ATOM 0 H CYS A 23 -8.274 -0.513 7.104 1.00 0.00 H new ATOM 0 HA CYS A 23 -6.571 1.404 8.365 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -8.446 2.933 7.926 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -8.069 1.974 6.509 1.00 0.00 H new ATOM 0 HG CYS A 23 -10.875 2.220 6.681 1.00 0.00 H new ATOM 391 N ASN A 24 -8.747 -0.092 10.199 1.00 0.00 N ATOM 392 CA ASN A 24 -9.274 -0.225 11.552 1.00 0.00 C ATOM 393 C ASN A 24 -8.312 -1.012 12.436 1.00 0.00 C ATOM 394 O ASN A 24 -8.034 -0.621 13.569 1.00 0.00 O ATOM 395 CB ASN A 24 -10.643 -0.910 11.523 1.00 0.00 C ATOM 396 CG ASN A 24 -11.706 -0.113 12.255 1.00 0.00 C ATOM 397 OD1 ASN A 24 -11.529 1.073 12.530 1.00 0.00 O ATOM 398 ND2 ASN A 24 -12.819 -0.765 12.573 1.00 0.00 N ATOM 0 H ASN A 24 -8.925 -0.895 9.596 1.00 0.00 H new ATOM 0 HA ASN A 24 -9.386 0.774 11.973 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -10.951 -1.056 10.488 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -10.561 -1.899 11.973 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -13.570 -0.282 13.065 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -12.922 -1.749 12.325 1.00 0.00 H new ATOM 405 N VAL A 25 -7.807 -2.123 11.910 1.00 0.00 N ATOM 406 CA VAL A 25 -6.877 -2.965 12.651 1.00 0.00 C ATOM 407 C VAL A 25 -5.633 -2.182 13.063 1.00 0.00 C ATOM 408 O VAL A 25 -4.994 -2.496 14.068 1.00 0.00 O ATOM 409 CB VAL A 25 -6.448 -4.194 11.822 1.00 0.00 C ATOM 410 CG1 VAL A 25 -7.660 -5.038 11.449 1.00 0.00 C ATOM 411 CG2 VAL A 25 -5.686 -3.762 10.577 1.00 0.00 C ATOM 0 H VAL A 25 -8.027 -2.461 10.973 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.401 -3.304 13.545 1.00 0.00 H new ATOM 0 HB VAL A 25 -5.783 -4.805 12.432 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -7.337 -5.900 10.865 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -8.158 -5.380 12.356 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -8.353 -4.439 10.859 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -5.392 -4.643 10.006 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -6.324 -3.127 9.962 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -4.795 -3.206 10.870 1.00 0.00 H new ATOM 421 N GLY A 26 -5.293 -1.164 12.278 1.00 0.00 N ATOM 422 CA GLY A 26 -4.127 -0.354 12.575 1.00 0.00 C ATOM 423 C GLY A 26 -2.987 -0.608 11.607 1.00 0.00 C ATOM 424 O GLY A 26 -1.819 -0.432 11.954 1.00 0.00 O ATOM 0 H GLY A 26 -5.805 -0.886 11.441 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -4.402 0.700 12.541 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -3.791 -0.563 13.591 1.00 0.00 H new ATOM 428 N ALA A 27 -3.329 -1.024 10.392 1.00 0.00 N ATOM 429 CA ALA A 27 -2.328 -1.304 9.369 1.00 0.00 C ATOM 430 C ALA A 27 -2.401 -0.288 8.236 1.00 0.00 C ATOM 431 O ALA A 27 -2.194 -0.627 7.071 1.00 0.00 O ATOM 432 CB ALA A 27 -2.512 -2.714 8.828 1.00 0.00 C ATOM 0 H ALA A 27 -4.292 -1.175 10.092 1.00 0.00 H new ATOM 0 HA ALA A 27 -1.342 -1.226 9.828 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -1.759 -2.912 8.065 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -2.403 -3.433 9.640 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -3.506 -2.809 8.391 1.00 0.00 H new ATOM 438 N VAL A 28 -2.698 0.960 8.583 1.00 0.00 N ATOM 439 CA VAL A 28 -2.799 2.025 7.594 1.00 0.00 C ATOM 440 C VAL A 28 -2.269 3.344 8.146 1.00 0.00 C ATOM 441 O VAL A 28 -2.928 4.001 8.953 1.00 0.00 O ATOM 442 CB VAL A 28 -4.255 2.222 7.129 1.00 0.00 C ATOM 443 CG1 VAL A 28 -4.334 3.275 6.034 1.00 0.00 C ATOM 444 CG2 VAL A 28 -4.847 0.904 6.654 1.00 0.00 C ATOM 0 H VAL A 28 -2.873 1.258 9.543 1.00 0.00 H new ATOM 0 HA VAL A 28 -2.190 1.723 6.742 1.00 0.00 H new ATOM 0 HB VAL A 28 -4.841 2.573 7.978 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -5.371 3.397 5.721 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -3.955 4.224 6.414 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.733 2.959 5.181 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -5.875 1.063 6.330 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -4.259 0.520 5.820 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -4.832 0.183 7.471 1.00 0.00 H new ATOM 454 N TRP A 29 -1.075 3.725 7.706 1.00 0.00 N ATOM 455 CA TRP A 29 -0.455 4.967 8.152 1.00 0.00 C ATOM 456 C TRP A 29 0.334 5.612 7.018 1.00 0.00 C ATOM 457 O TRP A 29 1.359 5.087 6.582 1.00 0.00 O ATOM 458 CB TRP A 29 0.465 4.703 9.346 1.00 0.00 C ATOM 459 CG TRP A 29 -0.252 4.700 10.662 1.00 0.00 C ATOM 460 CD1 TRP A 29 -1.192 3.801 11.080 1.00 0.00 C ATOM 461 CD2 TRP A 29 -0.090 5.639 11.730 1.00 0.00 C ATOM 462 NE1 TRP A 29 -1.623 4.125 12.343 1.00 0.00 N ATOM 463 CE2 TRP A 29 -0.962 5.249 12.765 1.00 0.00 C ATOM 464 CE3 TRP A 29 0.709 6.771 11.914 1.00 0.00 C ATOM 465 CZ2 TRP A 29 -1.057 5.951 13.963 1.00 0.00 C ATOM 466 CZ3 TRP A 29 0.614 7.467 13.104 1.00 0.00 C ATOM 467 CH2 TRP A 29 -0.263 7.055 14.116 1.00 0.00 C ATOM 0 H TRP A 29 -0.517 3.191 7.040 1.00 0.00 H new ATOM 0 HA TRP A 29 -1.245 5.652 8.459 1.00 0.00 H new ATOM 0 HB2 TRP A 29 0.960 3.742 9.208 1.00 0.00 H new ATOM 0 HB3 TRP A 29 1.246 5.463 9.368 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -1.544 2.959 10.502 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -2.322 3.612 12.880 1.00 0.00 H new ATOM 0 HE3 TRP A 29 1.388 7.096 11.140 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -1.733 5.636 14.744 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 1.226 8.344 13.257 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -0.313 7.620 15.035 1.00 0.00 H new ATOM 478 N LEU A 30 -0.153 6.752 6.542 1.00 0.00 N ATOM 479 CA LEU A 30 0.502 7.470 5.455 1.00 0.00 C ATOM 480 C LEU A 30 1.395 8.583 5.993 1.00 0.00 C ATOM 481 O LEU A 30 0.917 9.529 6.620 1.00 0.00 O ATOM 482 CB LEU A 30 -0.541 8.056 4.501 1.00 0.00 C ATOM 483 CG LEU A 30 -0.034 8.354 3.089 1.00 0.00 C ATOM 484 CD1 LEU A 30 1.074 9.394 3.129 1.00 0.00 C ATOM 485 CD2 LEU A 30 0.453 7.078 2.417 1.00 0.00 C ATOM 0 H LEU A 30 -1.000 7.199 6.892 1.00 0.00 H new ATOM 0 HA LEU A 30 1.126 6.760 4.912 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -1.378 7.361 4.431 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.929 8.978 4.933 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.861 8.756 2.504 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.423 9.593 2.116 1.00 0.00 H new ATOM 0 HD12 LEU A 30 0.693 10.315 3.570 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.902 9.020 3.731 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.810 7.309 1.413 1.00 0.00 H new ATOM 0 HD22 LEU A 30 1.266 6.647 3.001 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.368 6.364 2.355 1.00 0.00 H new ATOM 497 N ASN A 31 2.696 8.464 5.742 1.00 0.00 N ATOM 498 CA ASN A 31 3.660 9.461 6.198 1.00 0.00 C ATOM 499 C ASN A 31 3.576 9.655 7.710 1.00 0.00 C ATOM 500 O ASN A 31 3.425 10.778 8.195 1.00 0.00 O ATOM 501 CB ASN A 31 3.421 10.792 5.483 1.00 0.00 C ATOM 502 CG ASN A 31 4.204 10.902 4.189 1.00 0.00 C ATOM 503 OD1 ASN A 31 4.470 9.901 3.524 1.00 0.00 O ATOM 504 ND2 ASN A 31 4.578 12.123 3.826 1.00 0.00 N ATOM 0 H ASN A 31 3.107 7.687 5.225 1.00 0.00 H new ATOM 0 HA ASN A 31 4.660 9.100 5.956 1.00 0.00 H new ATOM 0 HB2 ASN A 31 2.357 10.902 5.271 1.00 0.00 H new ATOM 0 HB3 ASN A 31 3.701 11.612 6.144 1.00 0.00 H new ATOM 0 HD21 ASN A 31 5.108 12.259 2.965 1.00 0.00 H new ATOM 0 HD22 ASN A 31 4.336 12.925 4.408 1.00 0.00 H new ATOM 511 N GLY A 32 3.674 8.556 8.450 1.00 0.00 N ATOM 512 CA GLY A 32 3.608 8.627 9.898 1.00 0.00 C ATOM 513 C GLY A 32 2.326 9.271 10.390 1.00 0.00 C ATOM 514 O GLY A 32 2.330 9.992 11.388 1.00 0.00 O ATOM 0 H GLY A 32 3.798 7.617 8.073 1.00 0.00 H new ATOM 0 HA2 GLY A 32 3.688 7.622 10.312 1.00 0.00 H new ATOM 0 HA3 GLY A 32 4.462 9.194 10.270 1.00 0.00 H new ATOM 518 N SER A 33 1.229 9.012 9.687 1.00 0.00 N ATOM 519 CA SER A 33 -0.066 9.572 10.058 1.00 0.00 C ATOM 520 C SER A 33 -1.187 8.573 9.789 1.00 0.00 C ATOM 521 O SER A 33 -1.358 8.107 8.663 1.00 0.00 O ATOM 522 CB SER A 33 -0.325 10.867 9.287 1.00 0.00 C ATOM 523 OG SER A 33 -1.148 11.749 10.031 1.00 0.00 O ATOM 0 H SER A 33 1.210 8.418 8.858 1.00 0.00 H new ATOM 0 HA SER A 33 -0.047 9.791 11.126 1.00 0.00 H new ATOM 0 HB2 SER A 33 0.623 11.354 9.060 1.00 0.00 H new ATOM 0 HB3 SER A 33 -0.802 10.637 8.334 1.00 0.00 H new ATOM 0 HG SER A 33 -1.297 12.570 9.517 1.00 0.00 H new ATOM 529 N CYS A 34 -1.947 8.247 10.829 1.00 0.00 N ATOM 530 CA CYS A 34 -3.051 7.303 10.703 1.00 0.00 C ATOM 531 C CYS A 34 -4.080 7.800 9.691 1.00 0.00 C ATOM 532 O CYS A 34 -4.481 8.963 9.720 1.00 0.00 O ATOM 533 CB CYS A 34 -3.719 7.082 12.061 1.00 0.00 C ATOM 534 SG CYS A 34 -4.462 5.445 12.259 1.00 0.00 S ATOM 0 H CYS A 34 -1.819 8.623 11.769 1.00 0.00 H new ATOM 0 HA CYS A 34 -2.647 6.356 10.347 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -2.979 7.231 12.847 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -4.490 7.839 12.202 1.00 0.00 H new ATOM 0 HG CYS A 34 -3.538 4.535 12.166 1.00 0.00 H new ATOM 540 N ALA A 35 -4.501 6.911 8.798 1.00 0.00 N ATOM 541 CA ALA A 35 -5.482 7.259 7.778 1.00 0.00 C ATOM 542 C ALA A 35 -6.515 6.150 7.606 1.00 0.00 C ATOM 543 O ALA A 35 -6.283 5.005 7.997 1.00 0.00 O ATOM 544 CB ALA A 35 -4.788 7.543 6.455 1.00 0.00 C ATOM 0 H ALA A 35 -4.178 5.944 8.760 1.00 0.00 H new ATOM 0 HA ALA A 35 -6.004 8.158 8.105 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -5.532 7.802 5.702 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -4.094 8.374 6.579 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -4.240 6.657 6.134 1.00 0.00 H new ATOM 550 N LYS A 36 -7.656 6.497 7.020 1.00 0.00 N ATOM 551 CA LYS A 36 -8.726 5.531 6.796 1.00 0.00 C ATOM 552 C LYS A 36 -8.461 4.712 5.536 1.00 0.00 C ATOM 553 O LYS A 36 -7.350 4.709 5.008 1.00 0.00 O ATOM 554 CB LYS A 36 -10.074 6.251 6.687 1.00 0.00 C ATOM 555 CG LYS A 36 -11.070 5.841 7.762 1.00 0.00 C ATOM 556 CD LYS A 36 -12.327 5.230 7.161 1.00 0.00 C ATOM 557 CE LYS A 36 -13.521 6.161 7.300 1.00 0.00 C ATOM 558 NZ LYS A 36 -13.204 7.543 6.845 1.00 0.00 N ATOM 0 H LYS A 36 -7.864 7.440 6.691 1.00 0.00 H new ATOM 0 HA LYS A 36 -8.757 4.850 7.646 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -9.908 7.327 6.748 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -10.506 6.050 5.707 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -10.603 5.123 8.436 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -11.339 6.712 8.360 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -12.157 5.009 6.107 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -12.544 4.283 7.654 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -14.356 5.770 6.718 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -13.842 6.186 8.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -14.072 8.004 6.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -12.811 8.088 7.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -12.507 7.503 6.074 1.00 0.00 H new ATOM 572 N ALA A 37 -9.491 4.018 5.057 1.00 0.00 N ATOM 573 CA ALA A 37 -9.366 3.196 3.859 1.00 0.00 C ATOM 574 C ALA A 37 -9.828 3.955 2.618 1.00 0.00 C ATOM 575 O ALA A 37 -10.277 3.353 1.642 1.00 0.00 O ATOM 576 CB ALA A 37 -10.163 1.910 4.018 1.00 0.00 C ATOM 0 H ALA A 37 -10.419 4.009 5.480 1.00 0.00 H new ATOM 0 HA ALA A 37 -8.313 2.947 3.729 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -10.061 1.305 3.117 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -9.785 1.351 4.874 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -11.214 2.151 4.177 1.00 0.00 H new ATOM 582 N SER A 38 -9.714 5.278 2.660 1.00 0.00 N ATOM 583 CA SER A 38 -10.118 6.117 1.539 1.00 0.00 C ATOM 584 C SER A 38 -9.235 7.358 1.440 1.00 0.00 C ATOM 585 O SER A 38 -9.674 8.408 0.972 1.00 0.00 O ATOM 586 CB SER A 38 -11.585 6.530 1.686 1.00 0.00 C ATOM 587 OG SER A 38 -12.430 5.699 0.910 1.00 0.00 O ATOM 0 H SER A 38 -9.345 5.792 3.460 1.00 0.00 H new ATOM 0 HA SER A 38 -10.001 5.537 0.624 1.00 0.00 H new ATOM 0 HB2 SER A 38 -11.878 6.474 2.734 1.00 0.00 H new ATOM 0 HB3 SER A 38 -11.706 7.568 1.376 1.00 0.00 H new ATOM 0 HG SER A 38 -13.361 5.983 1.023 1.00 0.00 H new ATOM 593 N LYS A 39 -7.989 7.229 1.885 1.00 0.00 N ATOM 594 CA LYS A 39 -7.047 8.342 1.846 1.00 0.00 C ATOM 595 C LYS A 39 -6.168 8.267 0.603 1.00 0.00 C ATOM 596 O LYS A 39 -5.368 7.342 0.450 1.00 0.00 O ATOM 597 CB LYS A 39 -6.175 8.342 3.103 1.00 0.00 C ATOM 598 CG LYS A 39 -5.822 9.734 3.599 1.00 0.00 C ATOM 599 CD LYS A 39 -6.937 10.322 4.447 1.00 0.00 C ATOM 600 CE LYS A 39 -6.787 11.828 4.597 1.00 0.00 C ATOM 601 NZ LYS A 39 -7.437 12.330 5.838 1.00 0.00 N ATOM 0 H LYS A 39 -7.609 6.367 2.276 1.00 0.00 H new ATOM 0 HA LYS A 39 -7.619 9.269 1.808 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -6.695 7.804 3.896 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -5.255 7.795 2.897 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -4.903 9.691 4.183 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -5.628 10.386 2.748 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -7.901 10.095 3.991 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -6.932 9.855 5.432 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -5.728 12.088 4.611 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -7.225 12.324 3.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -7.312 13.360 5.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -8.452 12.105 5.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -7.002 11.876 6.666 1.00 0.00 H new ATOM 615 N GLU A 40 -6.322 9.244 -0.284 1.00 0.00 N ATOM 616 CA GLU A 40 -5.540 9.288 -1.515 1.00 0.00 C ATOM 617 C GLU A 40 -4.064 9.525 -1.214 1.00 0.00 C ATOM 618 O GLU A 40 -3.716 10.381 -0.402 1.00 0.00 O ATOM 619 CB GLU A 40 -6.067 10.387 -2.441 1.00 0.00 C ATOM 620 CG GLU A 40 -7.307 9.983 -3.221 1.00 0.00 C ATOM 621 CD GLU A 40 -8.565 10.018 -2.376 1.00 0.00 C ATOM 622 OE1 GLU A 40 -8.723 10.973 -1.586 1.00 0.00 O ATOM 623 OE2 GLU A 40 -9.392 9.091 -2.503 1.00 0.00 O ATOM 0 H GLU A 40 -6.980 10.015 -0.174 1.00 0.00 H new ATOM 0 HA GLU A 40 -5.640 8.324 -2.014 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -6.294 11.273 -1.847 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -5.281 10.667 -3.143 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.428 10.650 -4.074 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -7.169 8.978 -3.620 1.00 0.00 H new ATOM 630 N VAL A 41 -3.201 8.761 -1.876 1.00 0.00 N ATOM 631 CA VAL A 41 -1.762 8.889 -1.678 1.00 0.00 C ATOM 632 C VAL A 41 -1.102 9.567 -2.874 1.00 0.00 C ATOM 633 O VAL A 41 -1.727 9.753 -3.919 1.00 0.00 O ATOM 634 CB VAL A 41 -1.102 7.515 -1.452 1.00 0.00 C ATOM 635 CG1 VAL A 41 -1.540 6.925 -0.121 1.00 0.00 C ATOM 636 CG2 VAL A 41 -1.430 6.570 -2.598 1.00 0.00 C ATOM 0 H VAL A 41 -3.473 8.048 -2.553 1.00 0.00 H new ATOM 0 HA VAL A 41 -1.618 9.504 -0.789 1.00 0.00 H new ATOM 0 HB VAL A 41 -0.021 7.651 -1.423 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.064 5.955 0.021 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -1.248 7.595 0.688 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.623 6.802 -0.116 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -0.955 5.605 -2.421 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.510 6.437 -2.662 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -1.060 6.990 -3.533 1.00 0.00 H new ATOM 646 N LYS A 42 0.166 9.933 -2.715 1.00 0.00 N ATOM 647 CA LYS A 42 0.911 10.590 -3.781 1.00 0.00 C ATOM 648 C LYS A 42 2.254 9.903 -4.009 1.00 0.00 C ATOM 649 O LYS A 42 2.583 8.925 -3.337 1.00 0.00 O ATOM 650 CB LYS A 42 1.132 12.066 -3.445 1.00 0.00 C ATOM 651 CG LYS A 42 1.010 12.989 -4.647 1.00 0.00 C ATOM 652 CD LYS A 42 2.082 14.069 -4.637 1.00 0.00 C ATOM 653 CE LYS A 42 2.965 13.992 -5.872 1.00 0.00 C ATOM 654 NZ LYS A 42 2.581 15.005 -6.894 1.00 0.00 N ATOM 0 H LYS A 42 0.698 9.785 -1.858 1.00 0.00 H new ATOM 0 HA LYS A 42 0.325 10.517 -4.697 1.00 0.00 H new ATOM 0 HB2 LYS A 42 0.408 12.370 -2.689 1.00 0.00 H new ATOM 0 HB3 LYS A 42 2.122 12.185 -3.005 1.00 0.00 H new ATOM 0 HG2 LYS A 42 1.090 12.405 -5.564 1.00 0.00 H new ATOM 0 HG3 LYS A 42 0.024 13.454 -4.650 1.00 0.00 H new ATOM 0 HD2 LYS A 42 1.610 15.050 -4.587 1.00 0.00 H new ATOM 0 HD3 LYS A 42 2.696 13.965 -3.743 1.00 0.00 H new ATOM 0 HE2 LYS A 42 4.005 14.143 -5.584 1.00 0.00 H new ATOM 0 HE3 LYS A 42 2.896 12.994 -6.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 3.207 14.919 -7.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 1.596 14.846 -7.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 2.671 15.959 -6.489 1.00 0.00 H new ATOM 668 N ALA A 43 3.023 10.419 -4.961 1.00 0.00 N ATOM 669 CA ALA A 43 4.330 9.855 -5.277 1.00 0.00 C ATOM 670 C ALA A 43 5.378 10.297 -4.262 1.00 0.00 C ATOM 671 O ALA A 43 5.232 11.332 -3.614 1.00 0.00 O ATOM 672 CB ALA A 43 4.750 10.255 -6.684 1.00 0.00 C ATOM 0 H ALA A 43 2.764 11.227 -5.527 1.00 0.00 H new ATOM 0 HA ALA A 43 4.252 8.769 -5.228 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.727 9.827 -6.907 1.00 0.00 H new ATOM 0 HB2 ALA A 43 4.019 9.883 -7.402 1.00 0.00 H new ATOM 0 HB3 ALA A 43 4.805 11.341 -6.752 1.00 0.00 H new ATOM 678 N GLY A 44 6.436 9.504 -4.131 1.00 0.00 N ATOM 679 CA GLY A 44 7.495 9.827 -3.194 1.00 0.00 C ATOM 680 C GLY A 44 7.003 9.886 -1.761 1.00 0.00 C ATOM 681 O GLY A 44 7.555 10.617 -0.937 1.00 0.00 O ATOM 0 H GLY A 44 6.579 8.642 -4.658 1.00 0.00 H new ATOM 0 HA2 GLY A 44 8.286 9.081 -3.273 1.00 0.00 H new ATOM 0 HA3 GLY A 44 7.934 10.787 -3.464 1.00 0.00 H new ATOM 685 N ASP A 45 5.964 9.114 -1.462 1.00 0.00 N ATOM 686 CA ASP A 45 5.396 9.078 -0.118 1.00 0.00 C ATOM 687 C ASP A 45 5.704 7.751 0.565 1.00 0.00 C ATOM 688 O ASP A 45 6.042 6.766 -0.093 1.00 0.00 O ATOM 689 CB ASP A 45 3.883 9.298 -0.176 1.00 0.00 C ATOM 690 CG ASP A 45 3.504 10.757 -0.020 1.00 0.00 C ATOM 691 OD1 ASP A 45 4.370 11.625 -0.256 1.00 0.00 O ATOM 692 OD2 ASP A 45 2.339 11.033 0.337 1.00 0.00 O ATOM 0 H ASP A 45 5.497 8.504 -2.133 1.00 0.00 H new ATOM 0 HA ASP A 45 5.850 9.880 0.465 1.00 0.00 H new ATOM 0 HB2 ASP A 45 3.501 8.926 -1.127 1.00 0.00 H new ATOM 0 HB3 ASP A 45 3.404 8.715 0.610 1.00 0.00 H new ATOM 697 N THR A 46 5.583 7.728 1.888 1.00 0.00 N ATOM 698 CA THR A 46 5.848 6.518 2.658 1.00 0.00 C ATOM 699 C THR A 46 4.589 5.666 2.781 1.00 0.00 C ATOM 700 O THR A 46 3.475 6.156 2.604 1.00 0.00 O ATOM 701 CB THR A 46 6.373 6.877 4.049 1.00 0.00 C ATOM 702 OG1 THR A 46 7.405 7.844 3.962 1.00 0.00 O ATOM 703 CG2 THR A 46 6.920 5.687 4.807 1.00 0.00 C ATOM 0 H THR A 46 5.303 8.533 2.449 1.00 0.00 H new ATOM 0 HA THR A 46 6.607 5.940 2.130 1.00 0.00 H new ATOM 0 HB THR A 46 5.512 7.268 4.591 1.00 0.00 H new ATOM 0 HG1 THR A 46 7.726 8.062 4.862 1.00 0.00 H new ATOM 0 HG21 THR A 46 7.276 6.011 5.785 1.00 0.00 H new ATOM 0 HG22 THR A 46 6.133 4.944 4.935 1.00 0.00 H new ATOM 0 HG23 THR A 46 7.746 5.248 4.248 1.00 0.00 H new ATOM 711 N ILE A 47 4.776 4.386 3.087 1.00 0.00 N ATOM 712 CA ILE A 47 3.656 3.464 3.234 1.00 0.00 C ATOM 713 C ILE A 47 3.909 2.474 4.367 1.00 0.00 C ATOM 714 O ILE A 47 4.658 1.511 4.208 1.00 0.00 O ATOM 715 CB ILE A 47 3.397 2.685 1.929 1.00 0.00 C ATOM 716 CG1 ILE A 47 3.246 3.654 0.754 1.00 0.00 C ATOM 717 CG2 ILE A 47 2.155 1.815 2.067 1.00 0.00 C ATOM 718 CD1 ILE A 47 2.049 4.570 0.876 1.00 0.00 C ATOM 0 H ILE A 47 5.692 3.964 3.238 1.00 0.00 H new ATOM 0 HA ILE A 47 2.776 4.063 3.469 1.00 0.00 H new ATOM 0 HB ILE A 47 4.251 2.036 1.735 1.00 0.00 H new ATOM 0 HG12 ILE A 47 4.149 4.259 0.674 1.00 0.00 H new ATOM 0 HG13 ILE A 47 3.163 3.082 -0.170 1.00 0.00 H new ATOM 0 HG21 ILE A 47 1.986 1.272 1.137 1.00 0.00 H new ATOM 0 HG22 ILE A 47 2.297 1.105 2.882 1.00 0.00 H new ATOM 0 HG23 ILE A 47 1.292 2.445 2.281 1.00 0.00 H new ATOM 0 HD11 ILE A 47 2.005 5.229 0.009 1.00 0.00 H new ATOM 0 HD12 ILE A 47 1.138 3.974 0.925 1.00 0.00 H new ATOM 0 HD13 ILE A 47 2.140 5.169 1.782 1.00 0.00 H new ATOM 730 N SER A 48 3.279 2.719 5.511 1.00 0.00 N ATOM 731 CA SER A 48 3.437 1.850 6.671 1.00 0.00 C ATOM 732 C SER A 48 2.463 0.678 6.615 1.00 0.00 C ATOM 733 O SER A 48 1.409 0.761 5.985 1.00 0.00 O ATOM 734 CB SER A 48 3.219 2.645 7.960 1.00 0.00 C ATOM 735 OG SER A 48 3.485 4.023 7.762 1.00 0.00 O ATOM 0 H SER A 48 2.655 3.512 5.660 1.00 0.00 H new ATOM 0 HA SER A 48 4.452 1.454 6.659 1.00 0.00 H new ATOM 0 HB2 SER A 48 2.192 2.515 8.301 1.00 0.00 H new ATOM 0 HB3 SER A 48 3.867 2.256 8.745 1.00 0.00 H new ATOM 0 HG SER A 48 2.639 4.511 7.679 1.00 0.00 H new ATOM 741 N LEU A 49 2.825 -0.415 7.280 1.00 0.00 N ATOM 742 CA LEU A 49 1.986 -1.606 7.311 1.00 0.00 C ATOM 743 C LEU A 49 2.157 -2.353 8.630 1.00 0.00 C ATOM 744 O LEU A 49 3.274 -2.694 9.021 1.00 0.00 O ATOM 745 CB LEU A 49 2.327 -2.527 6.136 1.00 0.00 C ATOM 746 CG LEU A 49 1.147 -2.886 5.230 1.00 0.00 C ATOM 747 CD1 LEU A 49 0.519 -1.629 4.646 1.00 0.00 C ATOM 748 CD2 LEU A 49 1.595 -3.825 4.121 1.00 0.00 C ATOM 0 H LEU A 49 3.695 -0.499 7.805 1.00 0.00 H new ATOM 0 HA LEU A 49 0.945 -1.293 7.224 1.00 0.00 H new ATOM 0 HB2 LEU A 49 3.097 -2.049 5.531 1.00 0.00 H new ATOM 0 HB3 LEU A 49 2.757 -3.448 6.529 1.00 0.00 H new ATOM 0 HG LEU A 49 0.394 -3.397 5.831 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -0.318 -1.905 4.005 1.00 0.00 H new ATOM 0 HD12 LEU A 49 0.162 -0.991 5.455 1.00 0.00 H new ATOM 0 HD13 LEU A 49 1.263 -1.089 4.060 1.00 0.00 H new ATOM 0 HD21 LEU A 49 0.744 -4.070 3.486 1.00 0.00 H new ATOM 0 HD22 LEU A 49 2.366 -3.340 3.523 1.00 0.00 H new ATOM 0 HD23 LEU A 49 1.997 -4.739 4.558 1.00 0.00 H new ATOM 760 N HIS A 50 1.046 -2.600 9.315 1.00 0.00 N ATOM 761 CA HIS A 50 1.075 -3.301 10.593 1.00 0.00 C ATOM 762 C HIS A 50 0.921 -4.806 10.395 1.00 0.00 C ATOM 763 O HIS A 50 0.097 -5.257 9.599 1.00 0.00 O ATOM 764 CB HIS A 50 -0.032 -2.780 11.510 1.00 0.00 C ATOM 765 CG HIS A 50 0.141 -3.178 12.942 1.00 0.00 C ATOM 766 ND1 HIS A 50 1.355 -3.557 13.477 1.00 0.00 N ATOM 767 CD2 HIS A 50 -0.755 -3.256 13.955 1.00 0.00 C ATOM 768 CE1 HIS A 50 1.197 -3.851 14.756 1.00 0.00 C ATOM 769 NE2 HIS A 50 -0.072 -3.677 15.070 1.00 0.00 N ATOM 0 H HIS A 50 0.114 -2.325 9.006 1.00 0.00 H new ATOM 0 HA HIS A 50 2.042 -3.112 11.059 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -0.065 -1.692 11.445 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -0.993 -3.150 11.152 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -1.809 -3.029 13.897 1.00 0.00 H new ATOM 0 HE1 HIS A 50 1.975 -4.178 15.430 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -0.480 -3.830 15.992 1.00 0.00 H new ATOM 778 N TYR A 51 1.718 -5.576 11.128 1.00 0.00 N ATOM 779 CA TYR A 51 1.670 -7.030 11.038 1.00 0.00 C ATOM 780 C TYR A 51 1.855 -7.664 12.413 1.00 0.00 C ATOM 781 O TYR A 51 2.112 -6.970 13.397 1.00 0.00 O ATOM 782 CB TYR A 51 2.749 -7.538 10.080 1.00 0.00 C ATOM 783 CG TYR A 51 2.333 -7.506 8.627 1.00 0.00 C ATOM 784 CD1 TYR A 51 2.205 -6.299 7.948 1.00 0.00 C ATOM 785 CD2 TYR A 51 2.069 -8.680 7.934 1.00 0.00 C ATOM 786 CE1 TYR A 51 1.824 -6.265 6.620 1.00 0.00 C ATOM 787 CE2 TYR A 51 1.689 -8.653 6.605 1.00 0.00 C ATOM 788 CZ TYR A 51 1.568 -7.445 5.953 1.00 0.00 C ATOM 789 OH TYR A 51 1.190 -7.414 4.631 1.00 0.00 O ATOM 0 H TYR A 51 2.405 -5.217 11.791 1.00 0.00 H new ATOM 0 HA TYR A 51 0.690 -7.315 10.654 1.00 0.00 H new ATOM 0 HB2 TYR A 51 3.648 -6.934 10.205 1.00 0.00 H new ATOM 0 HB3 TYR A 51 3.012 -8.560 10.351 1.00 0.00 H new ATOM 0 HD1 TYR A 51 2.407 -5.373 8.467 1.00 0.00 H new ATOM 0 HD2 TYR A 51 2.162 -9.629 8.441 1.00 0.00 H new ATOM 0 HE1 TYR A 51 1.727 -5.320 6.107 1.00 0.00 H new ATOM 0 HE2 TYR A 51 1.488 -9.575 6.080 1.00 0.00 H new ATOM 0 HH TYR A 51 1.049 -8.329 4.310 1.00 0.00 H new ATOM 799 N LEU A 52 1.723 -8.984 12.474 1.00 0.00 N ATOM 800 CA LEU A 52 1.877 -9.710 13.730 1.00 0.00 C ATOM 801 C LEU A 52 3.347 -9.825 14.116 1.00 0.00 C ATOM 802 O LEU A 52 3.689 -9.852 15.299 1.00 0.00 O ATOM 803 CB LEU A 52 1.258 -11.105 13.617 1.00 0.00 C ATOM 804 CG LEU A 52 1.825 -11.975 12.492 1.00 0.00 C ATOM 805 CD1 LEU A 52 2.004 -13.410 12.964 1.00 0.00 C ATOM 806 CD2 LEU A 52 0.919 -11.924 11.270 1.00 0.00 C ATOM 0 H LEU A 52 1.510 -9.573 11.669 1.00 0.00 H new ATOM 0 HA LEU A 52 1.358 -9.151 14.509 1.00 0.00 H new ATOM 0 HB2 LEU A 52 1.398 -11.626 14.564 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.184 -10.998 13.467 1.00 0.00 H new ATOM 0 HG LEU A 52 2.802 -11.581 12.213 1.00 0.00 H new ATOM 0 HD11 LEU A 52 2.408 -14.013 12.151 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.693 -13.432 13.809 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.040 -13.815 13.271 1.00 0.00 H new ATOM 0 HD21 LEU A 52 1.338 -12.548 10.480 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -0.072 -12.292 11.536 1.00 0.00 H new ATOM 0 HD23 LEU A 52 0.842 -10.896 10.917 1.00 0.00 H new ATOM 818 N LYS A 53 4.214 -9.891 13.111 1.00 0.00 N ATOM 819 CA LYS A 53 5.648 -10.003 13.344 1.00 0.00 C ATOM 820 C LYS A 53 6.270 -8.633 13.599 1.00 0.00 C ATOM 821 O LYS A 53 7.270 -8.516 14.307 1.00 0.00 O ATOM 822 CB LYS A 53 6.330 -10.671 12.149 1.00 0.00 C ATOM 823 CG LYS A 53 6.194 -9.887 10.854 1.00 0.00 C ATOM 824 CD LYS A 53 6.799 -10.640 9.678 1.00 0.00 C ATOM 825 CE LYS A 53 5.855 -10.668 8.487 1.00 0.00 C ATOM 826 NZ LYS A 53 6.588 -10.583 7.194 1.00 0.00 N ATOM 0 H LYS A 53 3.948 -9.869 12.127 1.00 0.00 H new ATOM 0 HA LYS A 53 5.798 -10.619 14.231 1.00 0.00 H new ATOM 0 HB2 LYS A 53 7.388 -10.805 12.373 1.00 0.00 H new ATOM 0 HB3 LYS A 53 5.906 -11.665 12.008 1.00 0.00 H new ATOM 0 HG2 LYS A 53 5.140 -9.689 10.657 1.00 0.00 H new ATOM 0 HG3 LYS A 53 6.686 -8.920 10.960 1.00 0.00 H new ATOM 0 HD2 LYS A 53 7.738 -10.169 9.388 1.00 0.00 H new ATOM 0 HD3 LYS A 53 7.034 -11.660 9.981 1.00 0.00 H new ATOM 0 HE2 LYS A 53 5.267 -11.586 8.511 1.00 0.00 H new ATOM 0 HE3 LYS A 53 5.153 -9.838 8.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 5.908 -10.605 6.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 7.129 -9.695 7.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 7.240 -11.389 7.111 1.00 0.00 H new ATOM 840 N GLY A 54 5.673 -7.598 13.015 1.00 0.00 N ATOM 841 CA GLY A 54 6.185 -6.252 13.193 1.00 0.00 C ATOM 842 C GLY A 54 5.502 -5.245 12.286 1.00 0.00 C ATOM 843 O GLY A 54 4.279 -5.261 12.141 1.00 0.00 O ATOM 0 H GLY A 54 4.845 -7.668 12.423 1.00 0.00 H new ATOM 0 HA2 GLY A 54 6.051 -5.950 14.232 1.00 0.00 H new ATOM 0 HA3 GLY A 54 7.257 -6.246 12.995 1.00 0.00 H new ATOM 847 N ILE A 55 6.292 -4.367 11.678 1.00 0.00 N ATOM 848 CA ILE A 55 5.756 -3.347 10.783 1.00 0.00 C ATOM 849 C ILE A 55 6.683 -3.115 9.595 1.00 0.00 C ATOM 850 O ILE A 55 7.905 -3.102 9.740 1.00 0.00 O ATOM 851 CB ILE A 55 5.543 -2.010 11.517 1.00 0.00 C ATOM 852 CG1 ILE A 55 4.840 -2.241 12.856 1.00 0.00 C ATOM 853 CG2 ILE A 55 4.741 -1.050 10.651 1.00 0.00 C ATOM 854 CD1 ILE A 55 5.792 -2.530 13.997 1.00 0.00 C ATOM 0 H ILE A 55 7.306 -4.341 11.788 1.00 0.00 H new ATOM 0 HA ILE A 55 4.795 -3.716 10.426 1.00 0.00 H new ATOM 0 HB ILE A 55 6.518 -1.564 11.713 1.00 0.00 H new ATOM 0 HG12 ILE A 55 4.247 -1.360 13.103 1.00 0.00 H new ATOM 0 HG13 ILE A 55 4.145 -3.075 12.753 1.00 0.00 H new ATOM 0 HG21 ILE A 55 4.599 -0.110 11.185 1.00 0.00 H new ATOM 0 HG22 ILE A 55 5.279 -0.862 9.722 1.00 0.00 H new ATOM 0 HG23 ILE A 55 3.769 -1.489 10.425 1.00 0.00 H new ATOM 0 HD11 ILE A 55 5.224 -2.683 14.915 1.00 0.00 H new ATOM 0 HD12 ILE A 55 6.367 -3.428 13.772 1.00 0.00 H new ATOM 0 HD13 ILE A 55 6.471 -1.687 14.127 1.00 0.00 H new ATOM 866 N GLU A 56 6.092 -2.926 8.419 1.00 0.00 N ATOM 867 CA GLU A 56 6.863 -2.688 7.204 1.00 0.00 C ATOM 868 C GLU A 56 6.517 -1.332 6.600 1.00 0.00 C ATOM 869 O GLU A 56 5.350 -1.033 6.348 1.00 0.00 O ATOM 870 CB GLU A 56 6.605 -3.796 6.182 1.00 0.00 C ATOM 871 CG GLU A 56 7.112 -5.159 6.621 1.00 0.00 C ATOM 872 CD GLU A 56 6.153 -6.280 6.269 1.00 0.00 C ATOM 873 OE1 GLU A 56 4.926 -6.046 6.311 1.00 0.00 O ATOM 874 OE2 GLU A 56 6.628 -7.389 5.949 1.00 0.00 O ATOM 0 H GLU A 56 5.081 -2.933 8.282 1.00 0.00 H new ATOM 0 HA GLU A 56 7.920 -2.690 7.469 1.00 0.00 H new ATOM 0 HB2 GLU A 56 5.534 -3.860 5.991 1.00 0.00 H new ATOM 0 HB3 GLU A 56 7.081 -3.527 5.239 1.00 0.00 H new ATOM 0 HG2 GLU A 56 8.077 -5.351 6.153 1.00 0.00 H new ATOM 0 HG3 GLU A 56 7.276 -5.152 7.699 1.00 0.00 H new ATOM 881 N GLU A 57 7.540 -0.514 6.373 1.00 0.00 N ATOM 882 CA GLU A 57 7.345 0.813 5.800 1.00 0.00 C ATOM 883 C GLU A 57 7.936 0.894 4.396 1.00 0.00 C ATOM 884 O GLU A 57 9.154 0.879 4.223 1.00 0.00 O ATOM 885 CB GLU A 57 7.984 1.875 6.697 1.00 0.00 C ATOM 886 CG GLU A 57 7.300 3.231 6.617 1.00 0.00 C ATOM 887 CD GLU A 57 6.793 3.710 7.962 1.00 0.00 C ATOM 888 OE1 GLU A 57 6.289 2.873 8.740 1.00 0.00 O ATOM 889 OE2 GLU A 57 6.898 4.924 8.239 1.00 0.00 O ATOM 0 H GLU A 57 8.512 -0.747 6.577 1.00 0.00 H new ATOM 0 HA GLU A 57 6.273 0.999 5.733 1.00 0.00 H new ATOM 0 HB2 GLU A 57 7.963 1.527 7.730 1.00 0.00 H new ATOM 0 HB3 GLU A 57 9.032 1.989 6.421 1.00 0.00 H new ATOM 0 HG2 GLU A 57 8.000 3.963 6.215 1.00 0.00 H new ATOM 0 HG3 GLU A 57 6.465 3.172 5.919 1.00 0.00 H new ATOM 896 N TYR A 58 7.064 0.984 3.397 1.00 0.00 N ATOM 897 CA TYR A 58 7.499 1.072 2.008 1.00 0.00 C ATOM 898 C TYR A 58 7.559 2.525 1.551 1.00 0.00 C ATOM 899 O TYR A 58 7.266 3.441 2.318 1.00 0.00 O ATOM 900 CB TYR A 58 6.556 0.278 1.102 1.00 0.00 C ATOM 901 CG TYR A 58 6.539 -1.205 1.393 1.00 0.00 C ATOM 902 CD1 TYR A 58 6.079 -1.688 2.611 1.00 0.00 C ATOM 903 CD2 TYR A 58 6.984 -2.122 0.448 1.00 0.00 C ATOM 904 CE1 TYR A 58 6.062 -3.043 2.880 1.00 0.00 C ATOM 905 CE2 TYR A 58 6.969 -3.479 0.710 1.00 0.00 C ATOM 906 CZ TYR A 58 6.508 -3.934 1.927 1.00 0.00 C ATOM 907 OH TYR A 58 6.493 -5.285 2.192 1.00 0.00 O ATOM 0 H TYR A 58 6.052 0.998 3.524 1.00 0.00 H new ATOM 0 HA TYR A 58 8.499 0.645 1.939 1.00 0.00 H new ATOM 0 HB2 TYR A 58 5.545 0.672 1.210 1.00 0.00 H new ATOM 0 HB3 TYR A 58 6.849 0.432 0.063 1.00 0.00 H new ATOM 0 HD1 TYR A 58 5.729 -0.993 3.360 1.00 0.00 H new ATOM 0 HD2 TYR A 58 7.347 -1.769 -0.506 1.00 0.00 H new ATOM 0 HE1 TYR A 58 5.701 -3.403 3.832 1.00 0.00 H new ATOM 0 HE2 TYR A 58 7.317 -4.179 -0.035 1.00 0.00 H new ATOM 0 HH TYR A 58 6.839 -5.774 1.416 1.00 0.00 H new ATOM 917 N THR A 59 7.942 2.729 0.296 1.00 0.00 N ATOM 918 CA THR A 59 8.041 4.071 -0.265 1.00 0.00 C ATOM 919 C THR A 59 7.512 4.104 -1.694 1.00 0.00 C ATOM 920 O THR A 59 7.942 3.325 -2.544 1.00 0.00 O ATOM 921 CB THR A 59 9.493 4.551 -0.235 1.00 0.00 C ATOM 922 OG1 THR A 59 10.004 4.521 1.086 1.00 0.00 O ATOM 923 CG2 THR A 59 9.669 5.959 -0.762 1.00 0.00 C ATOM 0 H THR A 59 8.189 1.982 -0.353 1.00 0.00 H new ATOM 0 HA THR A 59 7.431 4.739 0.344 1.00 0.00 H new ATOM 0 HB THR A 59 10.037 3.866 -0.885 1.00 0.00 H new ATOM 0 HG1 THR A 59 10.423 5.382 1.294 1.00 0.00 H new ATOM 0 HG21 THR A 59 10.722 6.237 -0.713 1.00 0.00 H new ATOM 0 HG22 THR A 59 9.330 6.005 -1.797 1.00 0.00 H new ATOM 0 HG23 THR A 59 9.083 6.650 -0.157 1.00 0.00 H new ATOM 931 N ILE A 60 6.576 5.012 -1.951 1.00 0.00 N ATOM 932 CA ILE A 60 5.989 5.147 -3.278 1.00 0.00 C ATOM 933 C ILE A 60 6.926 5.897 -4.217 1.00 0.00 C ATOM 934 O ILE A 60 7.254 7.061 -3.986 1.00 0.00 O ATOM 935 CB ILE A 60 4.637 5.884 -3.225 1.00 0.00 C ATOM 936 CG1 ILE A 60 3.748 5.287 -2.132 1.00 0.00 C ATOM 937 CG2 ILE A 60 3.943 5.816 -4.577 1.00 0.00 C ATOM 938 CD1 ILE A 60 2.494 6.093 -1.868 1.00 0.00 C ATOM 0 H ILE A 60 6.209 5.664 -1.258 1.00 0.00 H new ATOM 0 HA ILE A 60 5.828 4.137 -3.656 1.00 0.00 H new ATOM 0 HB ILE A 60 4.820 6.931 -2.985 1.00 0.00 H new ATOM 0 HG12 ILE A 60 3.466 4.273 -2.417 1.00 0.00 H new ATOM 0 HG13 ILE A 60 4.322 5.210 -1.209 1.00 0.00 H new ATOM 0 HG21 ILE A 60 2.989 6.341 -4.523 1.00 0.00 H new ATOM 0 HG22 ILE A 60 4.573 6.284 -5.333 1.00 0.00 H new ATOM 0 HG23 ILE A 60 3.769 4.774 -4.845 1.00 0.00 H new ATOM 0 HD11 ILE A 60 1.911 5.612 -1.082 1.00 0.00 H new ATOM 0 HD12 ILE A 60 2.768 7.100 -1.552 1.00 0.00 H new ATOM 0 HD13 ILE A 60 1.898 6.148 -2.779 1.00 0.00 H new ATOM 950 N LEU A 61 7.355 5.222 -5.276 1.00 0.00 N ATOM 951 CA LEU A 61 8.255 5.822 -6.254 1.00 0.00 C ATOM 952 C LEU A 61 7.481 6.629 -7.293 1.00 0.00 C ATOM 953 O LEU A 61 8.046 7.485 -7.974 1.00 0.00 O ATOM 954 CB LEU A 61 9.082 4.737 -6.945 1.00 0.00 C ATOM 955 CG LEU A 61 9.803 3.773 -6.002 1.00 0.00 C ATOM 956 CD1 LEU A 61 10.408 2.616 -6.781 1.00 0.00 C ATOM 957 CD2 LEU A 61 10.875 4.505 -5.210 1.00 0.00 C ATOM 0 H LEU A 61 7.094 4.257 -5.480 1.00 0.00 H new ATOM 0 HA LEU A 61 8.924 6.501 -5.725 1.00 0.00 H new ATOM 0 HB2 LEU A 61 8.425 4.161 -7.596 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.823 5.218 -7.584 1.00 0.00 H new ATOM 0 HG LEU A 61 9.074 3.368 -5.300 1.00 0.00 H new ATOM 0 HD11 LEU A 61 10.917 1.941 -6.093 1.00 0.00 H new ATOM 0 HD12 LEU A 61 9.618 2.075 -7.302 1.00 0.00 H new ATOM 0 HD13 LEU A 61 11.124 3.001 -7.507 1.00 0.00 H new ATOM 0 HD21 LEU A 61 11.378 3.804 -4.544 1.00 0.00 H new ATOM 0 HD22 LEU A 61 11.602 4.939 -5.896 1.00 0.00 H new ATOM 0 HD23 LEU A 61 10.414 5.298 -4.621 1.00 0.00 H new ATOM 969 N GLN A 62 6.184 6.354 -7.412 1.00 0.00 N ATOM 970 CA GLN A 62 5.339 7.057 -8.370 1.00 0.00 C ATOM 971 C GLN A 62 3.883 6.621 -8.234 1.00 0.00 C ATOM 972 O GLN A 62 3.576 5.659 -7.529 1.00 0.00 O ATOM 973 CB GLN A 62 5.833 6.806 -9.797 1.00 0.00 C ATOM 974 CG GLN A 62 6.439 8.033 -10.457 1.00 0.00 C ATOM 975 CD GLN A 62 5.512 8.666 -11.477 1.00 0.00 C ATOM 976 OE1 GLN A 62 4.291 8.614 -11.339 1.00 0.00 O ATOM 977 NE2 GLN A 62 6.092 9.266 -12.511 1.00 0.00 N ATOM 0 H GLN A 62 5.697 5.650 -6.857 1.00 0.00 H new ATOM 0 HA GLN A 62 5.398 8.124 -8.157 1.00 0.00 H new ATOM 0 HB2 GLN A 62 6.576 6.009 -9.780 1.00 0.00 H new ATOM 0 HB3 GLN A 62 5.000 6.452 -10.404 1.00 0.00 H new ATOM 0 HG2 GLN A 62 6.686 8.768 -9.691 1.00 0.00 H new ATOM 0 HG3 GLN A 62 7.373 7.754 -10.945 1.00 0.00 H new ATOM 0 HE21 GLN A 62 7.109 9.285 -12.585 1.00 0.00 H new ATOM 0 HE22 GLN A 62 5.520 9.708 -13.231 1.00 0.00 H new ATOM 986 N ILE A 63 2.990 7.335 -8.912 1.00 0.00 N ATOM 987 CA ILE A 63 1.567 7.023 -8.867 1.00 0.00 C ATOM 988 C ILE A 63 0.995 6.859 -10.273 1.00 0.00 C ATOM 989 O ILE A 63 0.600 7.837 -10.909 1.00 0.00 O ATOM 990 CB ILE A 63 0.776 8.119 -8.127 1.00 0.00 C ATOM 991 CG1 ILE A 63 1.433 8.434 -6.783 1.00 0.00 C ATOM 992 CG2 ILE A 63 -0.669 7.688 -7.931 1.00 0.00 C ATOM 993 CD1 ILE A 63 1.444 7.261 -5.827 1.00 0.00 C ATOM 0 H ILE A 63 3.228 8.134 -9.499 1.00 0.00 H new ATOM 0 HA ILE A 63 1.465 6.083 -8.325 1.00 0.00 H new ATOM 0 HB ILE A 63 0.784 9.025 -8.733 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.458 8.761 -6.956 1.00 0.00 H new ATOM 0 HG13 ILE A 63 0.907 9.267 -6.317 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -1.215 8.473 -7.407 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -1.131 7.511 -8.902 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -0.699 6.771 -7.343 1.00 0.00 H new ATOM 0 HD11 ILE A 63 1.925 7.556 -4.894 1.00 0.00 H new ATOM 0 HD12 ILE A 63 0.420 6.948 -5.624 1.00 0.00 H new ATOM 0 HD13 ILE A 63 1.995 6.433 -6.273 1.00 0.00 H new ATOM 1005 N PRO A 64 0.941 5.615 -10.781 1.00 0.00 N ATOM 1006 CA PRO A 64 0.413 5.332 -12.120 1.00 0.00 C ATOM 1007 C PRO A 64 -1.096 5.542 -12.213 1.00 0.00 C ATOM 1008 O PRO A 64 -1.660 5.582 -13.306 1.00 0.00 O ATOM 1009 CB PRO A 64 0.761 3.858 -12.336 1.00 0.00 C ATOM 1010 CG PRO A 64 0.855 3.286 -10.965 1.00 0.00 C ATOM 1011 CD PRO A 64 1.390 4.389 -10.094 1.00 0.00 C ATOM 0 HA PRO A 64 0.836 6.000 -12.870 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -0.005 3.353 -12.924 1.00 0.00 H new ATOM 0 HB3 PRO A 64 1.701 3.748 -12.876 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -0.121 2.950 -10.614 1.00 0.00 H new ATOM 0 HG3 PRO A 64 1.516 2.419 -10.948 1.00 0.00 H new ATOM 0 HD2 PRO A 64 0.994 4.328 -9.080 1.00 0.00 H new ATOM 0 HD3 PRO A 64 2.476 4.348 -10.015 1.00 0.00 H new ATOM 1019 N ALA A 65 -1.744 5.678 -11.061 1.00 0.00 N ATOM 1020 CA ALA A 65 -3.187 5.884 -11.016 1.00 0.00 C ATOM 1021 C ALA A 65 -3.928 4.724 -11.671 1.00 0.00 C ATOM 1022 O ALA A 65 -5.002 4.906 -12.246 1.00 0.00 O ATOM 1023 CB ALA A 65 -3.552 7.197 -11.694 1.00 0.00 C ATOM 0 H ALA A 65 -1.293 5.649 -10.147 1.00 0.00 H new ATOM 0 HA ALA A 65 -3.491 5.930 -9.970 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -4.632 7.339 -11.654 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -3.058 8.022 -11.180 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -3.228 7.172 -12.734 1.00 0.00 H new ATOM 1029 N LEU A 66 -3.349 3.531 -11.580 1.00 0.00 N ATOM 1030 CA LEU A 66 -3.956 2.341 -12.165 1.00 0.00 C ATOM 1031 C LEU A 66 -4.932 1.691 -11.187 1.00 0.00 C ATOM 1032 O LEU A 66 -5.173 2.212 -10.098 1.00 0.00 O ATOM 1033 CB LEU A 66 -2.873 1.337 -12.571 1.00 0.00 C ATOM 1034 CG LEU A 66 -2.540 1.315 -14.063 1.00 0.00 C ATOM 1035 CD1 LEU A 66 -1.808 2.586 -14.466 1.00 0.00 C ATOM 1036 CD2 LEU A 66 -1.706 0.088 -14.404 1.00 0.00 C ATOM 0 H LEU A 66 -2.461 3.363 -11.107 1.00 0.00 H new ATOM 0 HA LEU A 66 -4.510 2.644 -13.053 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -1.963 1.562 -12.014 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.193 0.339 -12.270 1.00 0.00 H new ATOM 0 HG LEU A 66 -3.474 1.264 -14.623 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -1.579 2.552 -15.531 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -2.438 3.451 -14.258 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -0.881 2.668 -13.898 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.478 0.088 -15.470 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.777 0.110 -13.834 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.265 -0.813 -14.153 1.00 0.00 H new ATOM 1048 N LYS A 67 -5.490 0.552 -11.585 1.00 0.00 N ATOM 1049 CA LYS A 67 -6.441 -0.167 -10.744 1.00 0.00 C ATOM 1050 C LYS A 67 -5.839 -1.476 -10.238 1.00 0.00 C ATOM 1051 O LYS A 67 -6.128 -1.912 -9.123 1.00 0.00 O ATOM 1052 CB LYS A 67 -7.730 -0.447 -11.522 1.00 0.00 C ATOM 1053 CG LYS A 67 -8.979 0.097 -10.845 1.00 0.00 C ATOM 1054 CD LYS A 67 -9.978 -1.008 -10.539 1.00 0.00 C ATOM 1055 CE LYS A 67 -11.151 -0.491 -9.721 1.00 0.00 C ATOM 1056 NZ LYS A 67 -12.389 -0.373 -10.539 1.00 0.00 N ATOM 0 H LYS A 67 -5.301 0.107 -12.483 1.00 0.00 H new ATOM 0 HA LYS A 67 -6.675 0.459 -9.883 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -7.646 -0.010 -12.517 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -7.838 -1.523 -11.655 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -8.701 0.603 -9.920 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -9.446 0.843 -11.488 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -10.345 -1.436 -11.472 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -9.479 -1.810 -9.995 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -11.333 -1.163 -8.882 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -10.899 0.483 -9.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -13.165 -0.017 -9.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -12.224 0.288 -11.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -12.644 -1.307 -10.919 1.00 0.00 H new ATOM 1070 N ASN A 68 -5.005 -2.098 -11.064 1.00 0.00 N ATOM 1071 CA ASN A 68 -4.366 -3.358 -10.699 1.00 0.00 C ATOM 1072 C ASN A 68 -3.090 -3.576 -11.505 1.00 0.00 C ATOM 1073 O ASN A 68 -3.103 -3.518 -12.734 1.00 0.00 O ATOM 1074 CB ASN A 68 -5.330 -4.525 -10.920 1.00 0.00 C ATOM 1075 CG ASN A 68 -4.841 -5.808 -10.278 1.00 0.00 C ATOM 1076 OD1 ASN A 68 -4.985 -6.006 -9.071 1.00 0.00 O ATOM 1077 ND2 ASN A 68 -4.259 -6.689 -11.083 1.00 0.00 N ATOM 0 H ASN A 68 -4.755 -1.751 -11.990 1.00 0.00 H new ATOM 0 HA ASN A 68 -4.101 -3.310 -9.643 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -6.307 -4.267 -10.512 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -5.463 -4.685 -11.990 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -3.910 -7.571 -10.707 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -4.160 -6.484 -12.077 1.00 0.00 H new ATOM 1084 N VAL A 69 -1.989 -3.827 -10.804 1.00 0.00 N ATOM 1085 CA VAL A 69 -0.704 -4.055 -11.454 1.00 0.00 C ATOM 1086 C VAL A 69 -0.249 -5.504 -11.280 1.00 0.00 C ATOM 1087 O VAL A 69 -0.335 -6.060 -10.185 1.00 0.00 O ATOM 1088 CB VAL A 69 0.381 -3.118 -10.891 1.00 0.00 C ATOM 1089 CG1 VAL A 69 1.663 -3.233 -11.704 1.00 0.00 C ATOM 1090 CG2 VAL A 69 -0.115 -1.680 -10.866 1.00 0.00 C ATOM 0 H VAL A 69 -1.961 -3.878 -9.786 1.00 0.00 H new ATOM 0 HA VAL A 69 -0.842 -3.845 -12.515 1.00 0.00 H new ATOM 0 HB VAL A 69 0.599 -3.421 -9.867 1.00 0.00 H new ATOM 0 HG11 VAL A 69 2.417 -2.563 -11.291 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.028 -4.259 -11.665 1.00 0.00 H new ATOM 0 HG13 VAL A 69 1.463 -2.959 -12.740 1.00 0.00 H new ATOM 0 HG21 VAL A 69 0.665 -1.033 -10.465 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -0.364 -1.363 -11.879 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -1.002 -1.612 -10.236 1.00 0.00 H new ATOM 1100 N PRO A 70 0.244 -6.138 -12.360 1.00 0.00 N ATOM 1101 CA PRO A 70 0.712 -7.528 -12.312 1.00 0.00 C ATOM 1102 C PRO A 70 1.944 -7.693 -11.429 1.00 0.00 C ATOM 1103 O PRO A 70 2.295 -6.794 -10.663 1.00 0.00 O ATOM 1104 CB PRO A 70 1.055 -7.845 -13.772 1.00 0.00 C ATOM 1105 CG PRO A 70 1.300 -6.519 -14.405 1.00 0.00 C ATOM 1106 CD PRO A 70 0.386 -5.553 -13.706 1.00 0.00 C ATOM 0 HA PRO A 70 -0.038 -8.193 -11.885 1.00 0.00 H new ATOM 0 HB2 PRO A 70 1.935 -8.484 -13.841 1.00 0.00 H new ATOM 0 HB3 PRO A 70 0.238 -8.373 -14.264 1.00 0.00 H new ATOM 0 HG2 PRO A 70 2.342 -6.220 -14.294 1.00 0.00 H new ATOM 0 HG3 PRO A 70 1.090 -6.552 -15.474 1.00 0.00 H new ATOM 0 HD2 PRO A 70 0.813 -4.551 -13.667 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -0.576 -5.470 -14.213 1.00 0.00 H new ATOM 1114 N ARG A 71 2.596 -8.846 -11.538 1.00 0.00 N ATOM 1115 CA ARG A 71 3.787 -9.128 -10.750 1.00 0.00 C ATOM 1116 C ARG A 71 5.052 -8.842 -11.553 1.00 0.00 C ATOM 1117 O ARG A 71 6.058 -9.539 -11.417 1.00 0.00 O ATOM 1118 CB ARG A 71 3.777 -10.585 -10.288 1.00 0.00 C ATOM 1119 CG ARG A 71 4.855 -10.906 -9.269 1.00 0.00 C ATOM 1120 CD ARG A 71 4.299 -10.944 -7.854 1.00 0.00 C ATOM 1121 NE ARG A 71 4.537 -12.231 -7.206 1.00 0.00 N ATOM 1122 CZ ARG A 71 3.785 -13.312 -7.405 1.00 0.00 C ATOM 1123 NH1 ARG A 71 2.750 -13.267 -8.235 1.00 0.00 N ATOM 1124 NH2 ARG A 71 4.069 -14.442 -6.773 1.00 0.00 N ATOM 0 H ARG A 71 2.318 -9.600 -12.166 1.00 0.00 H new ATOM 0 HA ARG A 71 3.782 -8.476 -9.877 1.00 0.00 H new ATOM 0 HB2 ARG A 71 2.802 -10.814 -9.858 1.00 0.00 H new ATOM 0 HB3 ARG A 71 3.903 -11.233 -11.155 1.00 0.00 H new ATOM 0 HG2 ARG A 71 5.307 -11.869 -9.508 1.00 0.00 H new ATOM 0 HG3 ARG A 71 5.646 -10.159 -9.329 1.00 0.00 H new ATOM 0 HD2 ARG A 71 4.757 -10.151 -7.263 1.00 0.00 H new ATOM 0 HD3 ARG A 71 3.228 -10.744 -7.880 1.00 0.00 H new ATOM 0 HE ARG A 71 5.325 -12.306 -6.563 1.00 0.00 H new ATOM 0 HH11 ARG A 71 2.527 -12.401 -8.725 1.00 0.00 H new ATOM 0 HH12 ARG A 71 2.178 -14.099 -8.383 1.00 0.00 H new ATOM 0 HH21 ARG A 71 4.863 -14.483 -6.134 1.00 0.00 H new ATOM 0 HH22 ARG A 71 3.493 -15.270 -6.925 1.00 0.00 H new ATOM 1138 N LYS A 72 4.995 -7.812 -12.390 1.00 0.00 N ATOM 1139 CA LYS A 72 6.136 -7.432 -13.214 1.00 0.00 C ATOM 1140 C LYS A 72 6.481 -5.959 -13.015 1.00 0.00 C ATOM 1141 O LYS A 72 7.648 -5.600 -12.856 1.00 0.00 O ATOM 1142 CB LYS A 72 5.842 -7.706 -14.691 1.00 0.00 C ATOM 1143 CG LYS A 72 6.486 -8.982 -15.212 1.00 0.00 C ATOM 1144 CD LYS A 72 5.445 -9.987 -15.680 1.00 0.00 C ATOM 1145 CE LYS A 72 6.086 -11.298 -16.106 1.00 0.00 C ATOM 1146 NZ LYS A 72 5.884 -12.370 -15.092 1.00 0.00 N ATOM 0 H LYS A 72 4.170 -7.225 -12.516 1.00 0.00 H new ATOM 0 HA LYS A 72 6.992 -8.033 -12.906 1.00 0.00 H new ATOM 0 HB2 LYS A 72 4.763 -7.769 -14.833 1.00 0.00 H new ATOM 0 HB3 LYS A 72 6.193 -6.863 -15.286 1.00 0.00 H new ATOM 0 HG2 LYS A 72 7.156 -8.741 -16.037 1.00 0.00 H new ATOM 0 HG3 LYS A 72 7.096 -9.429 -14.427 1.00 0.00 H new ATOM 0 HD2 LYS A 72 4.732 -10.174 -14.877 1.00 0.00 H new ATOM 0 HD3 LYS A 72 4.883 -9.568 -16.515 1.00 0.00 H new ATOM 0 HE2 LYS A 72 5.664 -11.616 -17.059 1.00 0.00 H new ATOM 0 HE3 LYS A 72 7.153 -11.145 -16.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 6.336 -13.248 -15.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 6.309 -12.078 -14.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 4.866 -12.534 -14.958 1.00 0.00 H new ATOM 1160 N ASP A 73 5.457 -5.112 -13.019 1.00 0.00 N ATOM 1161 CA ASP A 73 5.651 -3.679 -12.835 1.00 0.00 C ATOM 1162 C ASP A 73 5.246 -3.252 -11.427 1.00 0.00 C ATOM 1163 O ASP A 73 4.831 -2.114 -11.208 1.00 0.00 O ATOM 1164 CB ASP A 73 4.841 -2.896 -13.870 1.00 0.00 C ATOM 1165 CG ASP A 73 5.177 -3.299 -15.292 1.00 0.00 C ATOM 1166 OD1 ASP A 73 6.380 -3.401 -15.612 1.00 0.00 O ATOM 1167 OD2 ASP A 73 4.237 -3.512 -16.087 1.00 0.00 O ATOM 0 H ASP A 73 4.485 -5.393 -13.148 1.00 0.00 H new ATOM 0 HA ASP A 73 6.710 -3.461 -12.972 1.00 0.00 H new ATOM 0 HB2 ASP A 73 3.778 -3.056 -13.692 1.00 0.00 H new ATOM 0 HB3 ASP A 73 5.029 -1.830 -13.743 1.00 0.00 H new ATOM 1172 N THR A 74 5.372 -4.172 -10.475 1.00 0.00 N ATOM 1173 CA THR A 74 5.020 -3.889 -9.088 1.00 0.00 C ATOM 1174 C THR A 74 6.270 -3.639 -8.250 1.00 0.00 C ATOM 1175 O THR A 74 6.279 -3.883 -7.043 1.00 0.00 O ATOM 1176 CB THR A 74 4.218 -5.051 -8.497 1.00 0.00 C ATOM 1177 OG1 THR A 74 4.004 -4.859 -7.109 1.00 0.00 O ATOM 1178 CG2 THR A 74 4.890 -6.395 -8.677 1.00 0.00 C ATOM 0 H THR A 74 5.715 -5.119 -10.639 1.00 0.00 H new ATOM 0 HA THR A 74 4.407 -2.988 -9.070 1.00 0.00 H new ATOM 0 HB THR A 74 3.275 -5.059 -9.044 1.00 0.00 H new ATOM 0 HG1 THR A 74 4.868 -4.800 -6.650 1.00 0.00 H new ATOM 0 HG21 THR A 74 4.269 -7.174 -8.236 1.00 0.00 H new ATOM 0 HG22 THR A 74 5.023 -6.596 -9.740 1.00 0.00 H new ATOM 0 HG23 THR A 74 5.863 -6.384 -8.185 1.00 0.00 H new ATOM 1186 N HIS A 75 7.323 -3.148 -8.897 1.00 0.00 N ATOM 1187 CA HIS A 75 8.577 -2.863 -8.208 1.00 0.00 C ATOM 1188 C HIS A 75 9.155 -1.518 -8.648 1.00 0.00 C ATOM 1189 O HIS A 75 10.314 -1.212 -8.368 1.00 0.00 O ATOM 1190 CB HIS A 75 9.590 -3.980 -8.472 1.00 0.00 C ATOM 1191 CG HIS A 75 10.206 -4.534 -7.226 1.00 0.00 C ATOM 1192 ND1 HIS A 75 9.526 -4.635 -6.029 1.00 0.00 N ATOM 1193 CD2 HIS A 75 11.448 -5.023 -6.992 1.00 0.00 C ATOM 1194 CE1 HIS A 75 10.323 -5.160 -5.115 1.00 0.00 C ATOM 1195 NE2 HIS A 75 11.493 -5.406 -5.673 1.00 0.00 N ATOM 0 H HIS A 75 7.333 -2.940 -9.895 1.00 0.00 H new ATOM 0 HA HIS A 75 8.370 -2.811 -7.139 1.00 0.00 H new ATOM 0 HB2 HIS A 75 9.096 -4.787 -9.013 1.00 0.00 H new ATOM 0 HB3 HIS A 75 10.379 -3.598 -9.119 1.00 0.00 H new ATOM 0 HD2 HIS A 75 12.253 -5.098 -7.709 1.00 0.00 H new ATOM 0 HE1 HIS A 75 10.061 -5.355 -4.086 1.00 0.00 H new ATOM 0 HE2 HIS A 75 12.300 -5.814 -5.202 1.00 0.00 H new ATOM 1204 N LEU A 76 8.343 -0.718 -9.337 1.00 0.00 N ATOM 1205 CA LEU A 76 8.781 0.590 -9.811 1.00 0.00 C ATOM 1206 C LEU A 76 7.924 1.712 -9.222 1.00 0.00 C ATOM 1207 O LEU A 76 8.226 2.891 -9.404 1.00 0.00 O ATOM 1208 CB LEU A 76 8.728 0.644 -11.340 1.00 0.00 C ATOM 1209 CG LEU A 76 9.870 -0.082 -12.054 1.00 0.00 C ATOM 1210 CD1 LEU A 76 9.552 -0.253 -13.531 1.00 0.00 C ATOM 1211 CD2 LEU A 76 11.178 0.674 -11.872 1.00 0.00 C ATOM 0 H LEU A 76 7.380 -0.954 -9.578 1.00 0.00 H new ATOM 0 HA LEU A 76 9.809 0.737 -9.479 1.00 0.00 H new ATOM 0 HB2 LEU A 76 7.782 0.215 -11.671 1.00 0.00 H new ATOM 0 HB3 LEU A 76 8.731 1.688 -11.652 1.00 0.00 H new ATOM 0 HG LEU A 76 9.981 -1.071 -11.610 1.00 0.00 H new ATOM 0 HD11 LEU A 76 10.375 -0.771 -14.023 1.00 0.00 H new ATOM 0 HD12 LEU A 76 8.638 -0.837 -13.641 1.00 0.00 H new ATOM 0 HD13 LEU A 76 9.414 0.726 -13.989 1.00 0.00 H new ATOM 0 HD21 LEU A 76 11.979 0.144 -12.386 1.00 0.00 H new ATOM 0 HD22 LEU A 76 11.080 1.676 -12.289 1.00 0.00 H new ATOM 0 HD23 LEU A 76 11.413 0.745 -10.810 1.00 0.00 H new ATOM 1223 N TYR A 77 6.854 1.342 -8.520 1.00 0.00 N ATOM 1224 CA TYR A 77 5.961 2.325 -7.915 1.00 0.00 C ATOM 1225 C TYR A 77 6.034 2.272 -6.390 1.00 0.00 C ATOM 1226 O TYR A 77 5.714 3.249 -5.713 1.00 0.00 O ATOM 1227 CB TYR A 77 4.523 2.088 -8.377 1.00 0.00 C ATOM 1228 CG TYR A 77 4.329 2.258 -9.867 1.00 0.00 C ATOM 1229 CD1 TYR A 77 4.737 3.419 -10.512 1.00 0.00 C ATOM 1230 CD2 TYR A 77 3.736 1.259 -10.628 1.00 0.00 C ATOM 1231 CE1 TYR A 77 4.562 3.579 -11.873 1.00 0.00 C ATOM 1232 CE2 TYR A 77 3.557 1.411 -11.990 1.00 0.00 C ATOM 1233 CZ TYR A 77 3.971 2.572 -12.608 1.00 0.00 C ATOM 1234 OH TYR A 77 3.794 2.727 -13.963 1.00 0.00 O ATOM 0 H TYR A 77 6.586 0.371 -8.357 1.00 0.00 H new ATOM 0 HA TYR A 77 6.283 3.315 -8.238 1.00 0.00 H new ATOM 0 HB2 TYR A 77 4.220 1.080 -8.093 1.00 0.00 H new ATOM 0 HB3 TYR A 77 3.863 2.779 -7.852 1.00 0.00 H new ATOM 0 HD1 TYR A 77 5.199 4.210 -9.940 1.00 0.00 H new ATOM 0 HD2 TYR A 77 3.409 0.349 -10.148 1.00 0.00 H new ATOM 0 HE1 TYR A 77 4.886 4.487 -12.359 1.00 0.00 H new ATOM 0 HE2 TYR A 77 3.095 0.624 -12.568 1.00 0.00 H new ATOM 0 HH TYR A 77 3.365 1.926 -14.331 1.00 0.00 H new ATOM 1244 N ILE A 78 6.455 1.131 -5.854 1.00 0.00 N ATOM 1245 CA ILE A 78 6.566 0.959 -4.410 1.00 0.00 C ATOM 1246 C ILE A 78 7.637 -0.072 -4.061 1.00 0.00 C ATOM 1247 O ILE A 78 7.781 -1.087 -4.743 1.00 0.00 O ATOM 1248 CB ILE A 78 5.222 0.524 -3.791 1.00 0.00 C ATOM 1249 CG1 ILE A 78 5.338 0.431 -2.268 1.00 0.00 C ATOM 1250 CG2 ILE A 78 4.775 -0.807 -4.378 1.00 0.00 C ATOM 1251 CD1 ILE A 78 4.035 0.080 -1.581 1.00 0.00 C ATOM 0 H ILE A 78 6.725 0.312 -6.398 1.00 0.00 H new ATOM 0 HA ILE A 78 6.850 1.926 -3.995 1.00 0.00 H new ATOM 0 HB ILE A 78 4.470 1.276 -4.031 1.00 0.00 H new ATOM 0 HG12 ILE A 78 6.087 -0.320 -2.014 1.00 0.00 H new ATOM 0 HG13 ILE A 78 5.698 1.384 -1.881 1.00 0.00 H new ATOM 0 HG21 ILE A 78 3.825 -1.101 -3.931 1.00 0.00 H new ATOM 0 HG22 ILE A 78 4.653 -0.706 -5.457 1.00 0.00 H new ATOM 0 HG23 ILE A 78 5.526 -1.568 -4.167 1.00 0.00 H new ATOM 0 HD11 ILE A 78 4.193 0.032 -0.504 1.00 0.00 H new ATOM 0 HD12 ILE A 78 3.289 0.843 -1.804 1.00 0.00 H new ATOM 0 HD13 ILE A 78 3.684 -0.887 -1.940 1.00 0.00 H new ATOM 1263 N ALA A 79 8.385 0.197 -2.997 1.00 0.00 N ATOM 1264 CA ALA A 79 9.443 -0.706 -2.559 1.00 0.00 C ATOM 1265 C ALA A 79 9.641 -0.629 -1.048 1.00 0.00 C ATOM 1266 O ALA A 79 9.451 0.425 -0.441 1.00 0.00 O ATOM 1267 CB ALA A 79 10.743 -0.383 -3.279 1.00 0.00 C ATOM 0 H ALA A 79 8.279 1.033 -2.422 1.00 0.00 H new ATOM 0 HA ALA A 79 9.144 -1.724 -2.809 1.00 0.00 H new ATOM 0 HB1 ALA A 79 11.524 -1.065 -2.943 1.00 0.00 H new ATOM 0 HB2 ALA A 79 10.601 -0.496 -4.354 1.00 0.00 H new ATOM 0 HB3 ALA A 79 11.036 0.643 -3.057 1.00 0.00 H new ATOM 1273 N PRO A 80 10.027 -1.752 -0.416 1.00 0.00 N ATOM 1274 CA PRO A 80 10.250 -1.805 1.031 1.00 0.00 C ATOM 1275 C PRO A 80 11.521 -1.070 1.448 1.00 0.00 C ATOM 1276 O PRO A 80 12.631 -1.551 1.219 1.00 0.00 O ATOM 1277 CB PRO A 80 10.381 -3.302 1.314 1.00 0.00 C ATOM 1278 CG PRO A 80 10.883 -3.883 0.038 1.00 0.00 C ATOM 1279 CD PRO A 80 10.276 -3.055 -1.063 1.00 0.00 C ATOM 0 HA PRO A 80 9.446 -1.321 1.586 1.00 0.00 H new ATOM 0 HB2 PRO A 80 11.073 -3.491 2.135 1.00 0.00 H new ATOM 0 HB3 PRO A 80 9.423 -3.737 1.598 1.00 0.00 H new ATOM 0 HG2 PRO A 80 11.972 -3.850 -0.004 1.00 0.00 H new ATOM 0 HG3 PRO A 80 10.592 -4.929 -0.055 1.00 0.00 H new ATOM 0 HD2 PRO A 80 10.952 -2.959 -1.912 1.00 0.00 H new ATOM 0 HD3 PRO A 80 9.354 -3.500 -1.438 1.00 0.00 H new ATOM 1287 N LYS A 81 11.349 0.096 2.059 1.00 0.00 N ATOM 1288 CA LYS A 81 12.481 0.899 2.507 1.00 0.00 C ATOM 1289 C LYS A 81 13.189 0.229 3.681 1.00 0.00 C ATOM 1290 O LYS A 81 12.709 0.270 4.814 1.00 0.00 O ATOM 1291 CB LYS A 81 12.011 2.300 2.906 1.00 0.00 C ATOM 1292 CG LYS A 81 12.851 3.416 2.307 1.00 0.00 C ATOM 1293 CD LYS A 81 13.869 3.945 3.304 1.00 0.00 C ATOM 1294 CE LYS A 81 14.052 5.448 3.169 1.00 0.00 C ATOM 1295 NZ LYS A 81 14.866 5.803 1.973 1.00 0.00 N ATOM 0 H LYS A 81 10.436 0.507 2.256 1.00 0.00 H new ATOM 0 HA LYS A 81 13.188 0.984 1.682 1.00 0.00 H new ATOM 0 HB2 LYS A 81 10.975 2.429 2.594 1.00 0.00 H new ATOM 0 HB3 LYS A 81 12.030 2.385 3.993 1.00 0.00 H new ATOM 0 HG2 LYS A 81 13.367 3.048 1.420 1.00 0.00 H new ATOM 0 HG3 LYS A 81 12.201 4.229 1.984 1.00 0.00 H new ATOM 0 HD2 LYS A 81 13.546 3.706 4.317 1.00 0.00 H new ATOM 0 HD3 LYS A 81 14.825 3.446 3.149 1.00 0.00 H new ATOM 0 HE2 LYS A 81 13.076 5.928 3.099 1.00 0.00 H new ATOM 0 HE3 LYS A 81 14.535 5.837 4.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 14.968 6.836 1.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 15.807 5.366 2.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 14.393 5.454 1.115 1.00 0.00 H new