USER MOD reduce.3.24.130724 H: found=0, std=0, add=870, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 871 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 38 TYR OH : rot -133:sc= 0.00442 USER MOD Set 1.2: A 98 HIS : no HD1:sc= -0.204 K(o=-0.2,f=-0.97) USER MOD Single : A 10 SER OG : rot -36:sc= 0.25 USER MOD Single : A 14 THR OG1 : rot 80:sc= 0.454 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 MET CE :methyl 130:sc= -1.34 (180deg=-2.62!) USER MOD Single : A 21 LYS NZ :NH3+ -155:sc=-0.00547 (180deg=-0.453) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -0.0529 X(o=-0.053,f=-0.39) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot -20:sc= -1.73! USER MOD Single : A 33 CYS SG : rot 21:sc= -0.765 USER MOD Single : A 36 CYS SG : rot -56:sc= 0.93 USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=-0.0028) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=-0.0036) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 ASN : amide:sc= -0.338 X(o=-0.34,f=-0.3) USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 GLN : amide:sc= -1.49 K(o=-1.5,f=-3.3!) USER MOD Single : A 67 LYS NZ :NH3+ 153:sc= -0.249 (180deg=-0.935) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0.073) USER MOD Single : A 74 LYS NZ :NH3+ -176:sc= 0.0756 (180deg=0.0717) USER MOD Single : A 78 SER OG : rot 180:sc= 0.389 USER MOD Single : A 80 ASN : amide:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 83 THR OG1 : rot 95:sc= 0.463 USER MOD Single : A 87 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 LYS NZ :NH3+ 145:sc= -0.471 (180deg=-2.31!) USER MOD Single : A 93 THR OG1 : rot 180:sc= -0.0635 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 GLN : amide:sc= 0.156 X(o=0.16,f=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 THR OG1 : rot 75:sc= 0.912 USER MOD Single : A 111 THR OG1 : rot 74:sc= 0.112 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 18 N SER A 10 -14.876 -16.535 0.321 1.00 0.00 N ATOM 19 CA SER A 10 -14.136 -16.994 -0.854 1.00 0.00 C ATOM 20 C SER A 10 -14.456 -16.115 -2.056 1.00 0.00 C ATOM 21 O SER A 10 -13.554 -15.624 -2.734 1.00 0.00 O ATOM 22 CB SER A 10 -14.487 -18.450 -1.182 1.00 0.00 C ATOM 23 OG SER A 10 -15.889 -18.668 -1.118 1.00 0.00 O ATOM 0 HA SER A 10 -13.072 -16.928 -0.629 1.00 0.00 H new ATOM 0 HB2 SER A 10 -14.123 -18.699 -2.179 1.00 0.00 H new ATOM 0 HB3 SER A 10 -13.981 -19.115 -0.483 1.00 0.00 H new ATOM 0 HG SER A 10 -16.270 -18.133 -0.390 1.00 0.00 H new ATOM 29 N ALA A 11 -15.754 -15.926 -2.306 1.00 0.00 N ATOM 30 CA ALA A 11 -16.216 -15.105 -3.429 1.00 0.00 C ATOM 31 C ALA A 11 -15.645 -13.688 -3.357 1.00 0.00 C ATOM 32 O ALA A 11 -15.334 -13.084 -4.385 1.00 0.00 O ATOM 33 CB ALA A 11 -17.741 -15.064 -3.475 1.00 0.00 C ATOM 0 H ALA A 11 -16.504 -16.330 -1.746 1.00 0.00 H new ATOM 0 HA ALA A 11 -15.852 -15.566 -4.347 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -18.063 -14.450 -4.316 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -18.129 -16.076 -3.595 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -18.122 -14.638 -2.547 1.00 0.00 H new ATOM 39 N PHE A 12 -15.499 -13.167 -2.139 1.00 0.00 N ATOM 40 CA PHE A 12 -14.956 -11.828 -1.937 1.00 0.00 C ATOM 41 C PHE A 12 -13.426 -11.851 -1.963 1.00 0.00 C ATOM 42 O PHE A 12 -12.794 -10.938 -2.494 1.00 0.00 O ATOM 43 CB PHE A 12 -15.452 -11.247 -0.607 1.00 0.00 C ATOM 44 CG PHE A 12 -16.233 -9.969 -0.749 1.00 0.00 C ATOM 45 CD1 PHE A 12 -15.736 -8.907 -1.490 1.00 0.00 C ATOM 46 CD2 PHE A 12 -17.468 -9.828 -0.134 1.00 0.00 C ATOM 47 CE1 PHE A 12 -16.454 -7.732 -1.614 1.00 0.00 C ATOM 48 CE2 PHE A 12 -18.190 -8.656 -0.254 1.00 0.00 C ATOM 49 CZ PHE A 12 -17.683 -7.607 -0.995 1.00 0.00 C ATOM 0 H PHE A 12 -15.750 -13.654 -1.278 1.00 0.00 H new ATOM 0 HA PHE A 12 -15.304 -11.194 -2.752 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -16.077 -11.989 -0.109 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -14.594 -11.066 0.041 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -14.776 -8.999 -1.976 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -17.871 -10.645 0.446 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -16.055 -6.913 -2.194 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -19.150 -8.561 0.231 1.00 0.00 H new ATOM 0 HZ PHE A 12 -18.246 -6.690 -1.091 1.00 0.00 H new ATOM 59 N VAL A 13 -12.836 -12.903 -1.386 1.00 0.00 N ATOM 60 CA VAL A 13 -11.381 -13.041 -1.344 1.00 0.00 C ATOM 61 C VAL A 13 -10.795 -13.077 -2.756 1.00 0.00 C ATOM 62 O VAL A 13 -9.872 -12.323 -3.069 1.00 0.00 O ATOM 63 CB VAL A 13 -10.936 -14.308 -0.577 1.00 0.00 C ATOM 64 CG1 VAL A 13 -9.425 -14.315 -0.383 1.00 0.00 C ATOM 65 CG2 VAL A 13 -11.653 -14.409 0.765 1.00 0.00 C ATOM 0 H VAL A 13 -13.344 -13.668 -0.943 1.00 0.00 H new ATOM 0 HA VAL A 13 -11.003 -12.168 -0.812 1.00 0.00 H new ATOM 0 HB VAL A 13 -11.208 -15.179 -1.172 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -9.132 -15.214 0.159 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -8.933 -14.301 -1.356 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -9.127 -13.435 0.187 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -11.324 -15.308 1.287 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -11.419 -13.533 1.369 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -12.729 -14.459 0.600 1.00 0.00 H new ATOM 75 N THR A 14 -11.340 -13.951 -3.605 1.00 0.00 N ATOM 76 CA THR A 14 -10.871 -14.071 -4.986 1.00 0.00 C ATOM 77 C THR A 14 -11.042 -12.749 -5.734 1.00 0.00 C ATOM 78 O THR A 14 -10.211 -12.393 -6.572 1.00 0.00 O ATOM 79 CB THR A 14 -11.622 -15.188 -5.720 1.00 0.00 C ATOM 80 OG1 THR A 14 -11.695 -16.357 -4.922 1.00 0.00 O ATOM 81 CG2 THR A 14 -10.985 -15.574 -7.038 1.00 0.00 C ATOM 0 H THR A 14 -12.103 -14.583 -3.362 1.00 0.00 H new ATOM 0 HA THR A 14 -9.811 -14.322 -4.958 1.00 0.00 H new ATOM 0 HB THR A 14 -12.614 -14.782 -5.918 1.00 0.00 H new ATOM 0 HG1 THR A 14 -12.411 -16.257 -4.261 1.00 0.00 H new ATOM 0 HG21 THR A 14 -11.567 -16.369 -7.504 1.00 0.00 H new ATOM 0 HG22 THR A 14 -10.961 -14.707 -7.698 1.00 0.00 H new ATOM 0 HG23 THR A 14 -9.968 -15.924 -6.862 1.00 0.00 H new ATOM 89 N LYS A 15 -12.119 -12.018 -5.423 1.00 0.00 N ATOM 90 CA LYS A 15 -12.385 -10.730 -6.065 1.00 0.00 C ATOM 91 C LYS A 15 -11.212 -9.771 -5.865 1.00 0.00 C ATOM 92 O LYS A 15 -10.806 -9.073 -6.794 1.00 0.00 O ATOM 93 CB LYS A 15 -13.671 -10.101 -5.515 1.00 0.00 C ATOM 94 CG LYS A 15 -14.815 -10.074 -6.519 1.00 0.00 C ATOM 95 CD LYS A 15 -15.824 -8.980 -6.199 1.00 0.00 C ATOM 96 CE LYS A 15 -17.037 -9.532 -5.462 1.00 0.00 C ATOM 97 NZ LYS A 15 -18.299 -8.850 -5.871 1.00 0.00 N ATOM 0 H LYS A 15 -12.817 -12.297 -4.733 1.00 0.00 H new ATOM 0 HA LYS A 15 -12.512 -10.911 -7.132 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -13.987 -10.655 -4.631 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -13.458 -9.082 -5.193 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -14.415 -9.918 -7.521 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -15.317 -11.041 -6.523 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -15.347 -8.211 -5.591 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -16.147 -8.501 -7.123 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -17.123 -10.601 -5.656 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -16.893 -9.414 -4.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -19.099 -9.256 -5.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -18.228 -7.834 -5.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -18.451 -8.984 -6.891 1.00 0.00 H new ATOM 111 N ALA A 16 -10.669 -9.753 -4.648 1.00 0.00 N ATOM 112 CA ALA A 16 -9.533 -8.892 -4.322 1.00 0.00 C ATOM 113 C ALA A 16 -8.306 -9.277 -5.147 1.00 0.00 C ATOM 114 O ALA A 16 -7.547 -8.412 -5.586 1.00 0.00 O ATOM 115 CB ALA A 16 -9.214 -8.963 -2.835 1.00 0.00 C ATOM 0 H ALA A 16 -10.998 -10.326 -3.871 1.00 0.00 H new ATOM 0 HA ALA A 16 -9.806 -7.866 -4.569 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -8.366 -8.315 -2.614 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -10.081 -8.635 -2.261 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -8.967 -9.990 -2.565 1.00 0.00 H new ATOM 121 N GLU A 17 -8.125 -10.583 -5.361 1.00 0.00 N ATOM 122 CA GLU A 17 -6.996 -11.086 -6.142 1.00 0.00 C ATOM 123 C GLU A 17 -7.067 -10.597 -7.589 1.00 0.00 C ATOM 124 O GLU A 17 -6.039 -10.321 -8.208 1.00 0.00 O ATOM 125 CB GLU A 17 -6.956 -12.615 -6.112 1.00 0.00 C ATOM 126 CG GLU A 17 -5.660 -13.170 -5.546 1.00 0.00 C ATOM 127 CD GLU A 17 -4.646 -13.501 -6.624 1.00 0.00 C ATOM 128 OE1 GLU A 17 -4.178 -12.565 -7.305 1.00 0.00 O ATOM 129 OE2 GLU A 17 -4.319 -14.694 -6.788 1.00 0.00 O ATOM 0 H GLU A 17 -8.746 -11.309 -5.004 1.00 0.00 H new ATOM 0 HA GLU A 17 -6.083 -10.699 -5.690 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -7.792 -12.982 -5.516 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -7.095 -12.995 -7.124 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -5.228 -12.444 -4.857 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -5.876 -14.068 -4.968 1.00 0.00 H new ATOM 136 N GLU A 18 -8.283 -10.488 -8.121 1.00 0.00 N ATOM 137 CA GLU A 18 -8.477 -10.024 -9.494 1.00 0.00 C ATOM 138 C GLU A 18 -8.034 -8.568 -9.639 1.00 0.00 C ATOM 139 O GLU A 18 -7.439 -8.192 -10.651 1.00 0.00 O ATOM 140 CB GLU A 18 -9.943 -10.168 -9.913 1.00 0.00 C ATOM 141 CG GLU A 18 -10.548 -11.530 -9.603 1.00 0.00 C ATOM 142 CD GLU A 18 -11.384 -12.075 -10.747 1.00 0.00 C ATOM 143 OE1 GLU A 18 -12.296 -11.359 -11.212 1.00 0.00 O ATOM 144 OE2 GLU A 18 -11.127 -13.221 -11.177 1.00 0.00 O ATOM 0 H GLU A 18 -9.145 -10.713 -7.625 1.00 0.00 H new ATOM 0 HA GLU A 18 -7.864 -10.644 -10.148 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -10.530 -9.399 -9.411 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -10.023 -9.982 -10.984 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -9.748 -12.235 -9.375 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -11.168 -11.453 -8.710 1.00 0.00 H new ATOM 151 N MET A 19 -8.324 -7.753 -8.622 1.00 0.00 N ATOM 152 CA MET A 19 -7.953 -6.339 -8.640 1.00 0.00 C ATOM 153 C MET A 19 -6.435 -6.172 -8.650 1.00 0.00 C ATOM 154 O MET A 19 -5.900 -5.367 -9.415 1.00 0.00 O ATOM 155 CB MET A 19 -8.546 -5.607 -7.433 1.00 0.00 C ATOM 156 CG MET A 19 -9.656 -4.635 -7.801 1.00 0.00 C ATOM 157 SD MET A 19 -9.878 -3.329 -6.577 1.00 0.00 S ATOM 158 CE MET A 19 -8.273 -2.536 -6.628 1.00 0.00 C ATOM 0 H MET A 19 -8.814 -8.049 -7.778 1.00 0.00 H new ATOM 0 HA MET A 19 -8.359 -5.903 -9.553 1.00 0.00 H new ATOM 0 HB2 MET A 19 -8.935 -6.341 -6.728 1.00 0.00 H new ATOM 0 HB3 MET A 19 -7.752 -5.063 -6.921 1.00 0.00 H new ATOM 0 HG2 MET A 19 -9.433 -4.185 -8.768 1.00 0.00 H new ATOM 0 HG3 MET A 19 -10.591 -5.184 -7.913 1.00 0.00 H new ATOM 0 HE1 MET A 19 -8.402 -1.460 -6.742 1.00 0.00 H new ATOM 0 HE2 MET A 19 -7.736 -2.741 -5.702 1.00 0.00 H new ATOM 0 HE3 MET A 19 -7.702 -2.924 -7.471 1.00 0.00 H new ATOM 168 N ILE A 20 -5.745 -6.940 -7.805 1.00 0.00 N ATOM 169 CA ILE A 20 -4.294 -6.883 -7.720 1.00 0.00 C ATOM 170 C ILE A 20 -3.636 -7.541 -8.937 1.00 0.00 C ATOM 171 O ILE A 20 -2.442 -7.355 -9.176 1.00 0.00 O ATOM 172 CB ILE A 20 -3.777 -7.560 -6.432 1.00 0.00 C ATOM 173 CG1 ILE A 20 -4.265 -9.010 -6.333 1.00 0.00 C ATOM 174 CG2 ILE A 20 -4.204 -6.768 -5.203 1.00 0.00 C ATOM 175 CD1 ILE A 20 -3.581 -9.804 -5.240 1.00 0.00 C ATOM 0 H ILE A 20 -6.175 -7.611 -7.169 1.00 0.00 H new ATOM 0 HA ILE A 20 -4.023 -5.828 -7.698 1.00 0.00 H new ATOM 0 HB ILE A 20 -2.688 -7.575 -6.476 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -5.340 -9.012 -6.154 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -4.100 -9.507 -7.289 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -3.831 -7.260 -4.305 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -3.795 -5.759 -5.260 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -5.292 -6.717 -5.163 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -3.975 -10.820 -5.227 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -2.508 -9.833 -5.429 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -3.767 -9.331 -4.276 1.00 0.00 H new ATOM 187 N LYS A 21 -4.418 -8.308 -9.702 1.00 0.00 N ATOM 188 CA LYS A 21 -3.908 -8.985 -10.888 1.00 0.00 C ATOM 189 C LYS A 21 -3.391 -7.973 -11.913 1.00 0.00 C ATOM 190 O LYS A 21 -2.208 -7.970 -12.249 1.00 0.00 O ATOM 191 CB LYS A 21 -5.002 -9.847 -11.517 1.00 0.00 C ATOM 192 CG LYS A 21 -4.508 -11.199 -12.007 1.00 0.00 C ATOM 193 CD LYS A 21 -5.544 -11.891 -12.884 1.00 0.00 C ATOM 194 CE LYS A 21 -5.657 -13.380 -12.569 1.00 0.00 C ATOM 195 NZ LYS A 21 -4.327 -14.047 -12.481 1.00 0.00 N ATOM 0 H LYS A 21 -5.407 -8.473 -9.517 1.00 0.00 H new ATOM 0 HA LYS A 21 -3.079 -9.624 -10.583 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -5.795 -10.003 -10.786 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -5.443 -9.306 -12.354 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -3.584 -11.067 -12.570 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -4.273 -11.833 -11.152 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -6.515 -11.416 -12.742 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -5.276 -11.762 -13.933 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -6.188 -13.509 -11.626 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -6.254 -13.867 -13.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -4.432 -15.060 -12.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -3.677 -13.618 -13.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -3.942 -13.929 -11.522 1.00 0.00 H new ATOM 209 N SER A 22 -4.287 -7.107 -12.390 1.00 0.00 N ATOM 210 CA SER A 22 -3.924 -6.076 -13.363 1.00 0.00 C ATOM 211 C SER A 22 -3.333 -4.853 -12.661 1.00 0.00 C ATOM 212 O SER A 22 -2.649 -4.040 -13.285 1.00 0.00 O ATOM 213 CB SER A 22 -5.143 -5.664 -14.195 1.00 0.00 C ATOM 214 OG SER A 22 -5.393 -6.595 -15.236 1.00 0.00 O ATOM 0 H SER A 22 -5.270 -7.100 -12.118 1.00 0.00 H new ATOM 0 HA SER A 22 -3.170 -6.494 -14.030 1.00 0.00 H new ATOM 0 HB2 SER A 22 -6.019 -5.592 -13.550 1.00 0.00 H new ATOM 0 HB3 SER A 22 -4.978 -4.674 -14.621 1.00 0.00 H new ATOM 0 HG SER A 22 -6.177 -6.309 -15.750 1.00 0.00 H new ATOM 220 N HIS A 23 -3.592 -4.736 -11.356 1.00 0.00 N ATOM 221 CA HIS A 23 -3.074 -3.622 -10.572 1.00 0.00 C ATOM 222 C HIS A 23 -2.235 -4.137 -9.402 1.00 0.00 C ATOM 223 O HIS A 23 -2.591 -3.944 -8.238 1.00 0.00 O ATOM 224 CB HIS A 23 -4.220 -2.745 -10.057 1.00 0.00 C ATOM 225 CG HIS A 23 -5.100 -2.203 -11.142 1.00 0.00 C ATOM 226 ND1 HIS A 23 -4.611 -1.608 -12.287 1.00 0.00 N ATOM 227 CD2 HIS A 23 -6.449 -2.165 -11.248 1.00 0.00 C ATOM 228 CE1 HIS A 23 -5.621 -1.227 -13.048 1.00 0.00 C ATOM 229 NE2 HIS A 23 -6.747 -1.555 -12.440 1.00 0.00 N ATOM 0 H HIS A 23 -4.156 -5.399 -10.825 1.00 0.00 H new ATOM 0 HA HIS A 23 -2.438 -3.016 -11.218 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -4.828 -3.327 -9.365 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -3.802 -1.913 -9.491 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -7.159 -2.544 -10.528 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -5.540 -0.732 -14.004 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -7.686 -1.383 -12.799 1.00 0.00 H new ATOM 238 N PRO A 24 -1.103 -4.806 -9.700 1.00 0.00 N ATOM 239 CA PRO A 24 -0.210 -5.355 -8.668 1.00 0.00 C ATOM 240 C PRO A 24 0.441 -4.272 -7.806 1.00 0.00 C ATOM 241 O PRO A 24 0.844 -4.536 -6.672 1.00 0.00 O ATOM 242 CB PRO A 24 0.856 -6.107 -9.474 1.00 0.00 C ATOM 243 CG PRO A 24 0.821 -5.494 -10.832 1.00 0.00 C ATOM 244 CD PRO A 24 -0.605 -5.083 -11.062 1.00 0.00 C ATOM 0 HA PRO A 24 -0.756 -5.982 -7.963 1.00 0.00 H new ATOM 0 HB2 PRO A 24 1.841 -6.002 -9.019 1.00 0.00 H new ATOM 0 HB3 PRO A 24 0.637 -7.174 -9.517 1.00 0.00 H new ATOM 0 HG2 PRO A 24 1.489 -4.635 -10.890 1.00 0.00 H new ATOM 0 HG3 PRO A 24 1.150 -6.205 -11.590 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -0.672 -4.203 -11.701 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -1.178 -5.873 -11.547 1.00 0.00 H new ATOM 252 N TYR A 25 0.539 -3.056 -8.348 1.00 0.00 N ATOM 253 CA TYR A 25 1.135 -1.940 -7.627 1.00 0.00 C ATOM 254 C TYR A 25 0.056 -1.123 -6.917 1.00 0.00 C ATOM 255 O TYR A 25 -0.264 -0.003 -7.325 1.00 0.00 O ATOM 256 CB TYR A 25 1.931 -1.053 -8.590 1.00 0.00 C ATOM 257 CG TYR A 25 3.371 -1.487 -8.771 1.00 0.00 C ATOM 258 CD1 TYR A 25 4.292 -1.347 -7.741 1.00 0.00 C ATOM 259 CD2 TYR A 25 3.809 -2.033 -9.972 1.00 0.00 C ATOM 260 CE1 TYR A 25 5.608 -1.738 -7.901 1.00 0.00 C ATOM 261 CE2 TYR A 25 5.121 -2.427 -10.139 1.00 0.00 C ATOM 262 CZ TYR A 25 6.018 -2.278 -9.102 1.00 0.00 C ATOM 263 OH TYR A 25 7.330 -2.668 -9.266 1.00 0.00 O ATOM 0 H TYR A 25 0.211 -2.824 -9.286 1.00 0.00 H new ATOM 0 HA TYR A 25 1.816 -2.337 -6.874 1.00 0.00 H new ATOM 0 HB2 TYR A 25 1.437 -1.052 -9.561 1.00 0.00 H new ATOM 0 HB3 TYR A 25 1.914 -0.027 -8.223 1.00 0.00 H new ATOM 0 HD1 TYR A 25 3.974 -0.925 -6.799 1.00 0.00 H new ATOM 0 HD2 TYR A 25 3.111 -2.151 -10.788 1.00 0.00 H new ATOM 0 HE1 TYR A 25 6.311 -1.621 -7.090 1.00 0.00 H new ATOM 0 HE2 TYR A 25 5.444 -2.851 -11.078 1.00 0.00 H new ATOM 0 HH TYR A 25 7.454 -3.029 -10.169 1.00 0.00 H new ATOM 273 N PHE A 26 -0.509 -1.698 -5.854 1.00 0.00 N ATOM 274 CA PHE A 26 -1.558 -1.035 -5.089 1.00 0.00 C ATOM 275 C PHE A 26 -1.090 -0.701 -3.673 1.00 0.00 C ATOM 276 O PHE A 26 -0.406 -1.499 -3.031 1.00 0.00 O ATOM 277 CB PHE A 26 -2.811 -1.913 -5.032 1.00 0.00 C ATOM 278 CG PHE A 26 -4.093 -1.125 -4.987 1.00 0.00 C ATOM 279 CD1 PHE A 26 -4.502 -0.508 -3.814 1.00 0.00 C ATOM 280 CD2 PHE A 26 -4.882 -0.997 -6.119 1.00 0.00 C ATOM 281 CE1 PHE A 26 -5.675 0.219 -3.772 1.00 0.00 C ATOM 282 CE2 PHE A 26 -6.057 -0.270 -6.082 1.00 0.00 C ATOM 283 CZ PHE A 26 -6.455 0.338 -4.907 1.00 0.00 C ATOM 0 H PHE A 26 -0.255 -2.622 -5.506 1.00 0.00 H new ATOM 0 HA PHE A 26 -1.797 -0.100 -5.596 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -2.826 -2.568 -5.903 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -2.756 -2.554 -4.152 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -3.897 -0.597 -2.924 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -4.576 -1.470 -7.040 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -5.983 0.695 -2.853 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -6.663 -0.177 -6.971 1.00 0.00 H new ATOM 0 HZ PHE A 26 -7.374 0.905 -4.875 1.00 0.00 H new ATOM 293 N GLN A 27 -1.468 0.483 -3.193 1.00 0.00 N ATOM 294 CA GLN A 27 -1.094 0.928 -1.853 1.00 0.00 C ATOM 295 C GLN A 27 -2.326 1.376 -1.066 1.00 0.00 C ATOM 296 O GLN A 27 -3.172 2.107 -1.585 1.00 0.00 O ATOM 297 CB GLN A 27 -0.077 2.070 -1.938 1.00 0.00 C ATOM 298 CG GLN A 27 1.343 1.645 -1.606 1.00 0.00 C ATOM 299 CD GLN A 27 1.940 2.443 -0.461 1.00 0.00 C ATOM 300 OE1 GLN A 27 1.453 2.386 0.666 1.00 0.00 O ATOM 301 NE2 GLN A 27 3.000 3.194 -0.746 1.00 0.00 N ATOM 0 H GLN A 27 -2.034 1.152 -3.714 1.00 0.00 H new ATOM 0 HA GLN A 27 -0.639 0.088 -1.329 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -0.096 2.489 -2.944 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -0.378 2.865 -1.256 1.00 0.00 H new ATOM 0 HG2 GLN A 27 1.350 0.586 -1.348 1.00 0.00 H new ATOM 0 HG3 GLN A 27 1.969 1.762 -2.490 1.00 0.00 H new ATOM 0 HE21 GLN A 27 3.372 3.212 -1.696 1.00 0.00 H new ATOM 0 HE22 GLN A 27 3.441 3.752 -0.015 1.00 0.00 H new ATOM 310 N LEU A 28 -2.421 0.928 0.187 1.00 0.00 N ATOM 311 CA LEU A 28 -3.550 1.276 1.049 1.00 0.00 C ATOM 312 C LEU A 28 -3.124 2.260 2.138 1.00 0.00 C ATOM 313 O LEU A 28 -2.156 2.017 2.859 1.00 0.00 O ATOM 314 CB LEU A 28 -4.143 0.013 1.682 1.00 0.00 C ATOM 315 CG LEU A 28 -5.269 -0.643 0.877 1.00 0.00 C ATOM 316 CD1 LEU A 28 -4.760 -1.879 0.149 1.00 0.00 C ATOM 317 CD2 LEU A 28 -6.440 -0.999 1.783 1.00 0.00 C ATOM 0 H LEU A 28 -1.728 0.323 0.627 1.00 0.00 H new ATOM 0 HA LEU A 28 -4.311 1.756 0.434 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.344 -0.715 1.822 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.523 0.264 2.672 1.00 0.00 H new ATOM 0 HG LEU A 28 -5.617 0.073 0.133 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -5.575 -2.330 -0.417 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -3.959 -1.595 -0.533 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -4.381 -2.598 0.875 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -7.229 -1.464 1.192 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -6.106 -1.694 2.553 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -6.824 -0.094 2.253 1.00 0.00 H new ATOM 329 N SER A 29 -3.855 3.372 2.250 1.00 0.00 N ATOM 330 CA SER A 29 -3.552 4.396 3.251 1.00 0.00 C ATOM 331 C SER A 29 -4.701 4.556 4.251 1.00 0.00 C ATOM 332 O SER A 29 -5.858 4.274 3.933 1.00 0.00 O ATOM 333 CB SER A 29 -3.263 5.733 2.567 1.00 0.00 C ATOM 334 OG SER A 29 -1.947 5.759 2.036 1.00 0.00 O ATOM 0 H SER A 29 -4.660 3.585 1.660 1.00 0.00 H new ATOM 0 HA SER A 29 -2.668 4.075 3.801 1.00 0.00 H new ATOM 0 HB2 SER A 29 -3.985 5.900 1.768 1.00 0.00 H new ATOM 0 HB3 SER A 29 -3.386 6.546 3.283 1.00 0.00 H new ATOM 0 HG SER A 29 -1.786 6.623 1.602 1.00 0.00 H new ATOM 340 N ALA A 30 -4.368 5.012 5.464 1.00 0.00 N ATOM 341 CA ALA A 30 -5.362 5.207 6.524 1.00 0.00 C ATOM 342 C ALA A 30 -6.286 6.390 6.233 1.00 0.00 C ATOM 343 O ALA A 30 -7.494 6.309 6.459 1.00 0.00 O ATOM 344 CB ALA A 30 -4.666 5.405 7.863 1.00 0.00 C ATOM 0 H ALA A 30 -3.415 5.253 5.736 1.00 0.00 H new ATOM 0 HA ALA A 30 -5.980 4.310 6.563 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -5.413 5.549 8.644 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -4.065 4.526 8.094 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -4.021 6.282 7.812 1.00 0.00 H new ATOM 350 N SER A 31 -5.709 7.489 5.740 1.00 0.00 N ATOM 351 CA SER A 31 -6.474 8.700 5.424 1.00 0.00 C ATOM 352 C SER A 31 -7.051 9.342 6.692 1.00 0.00 C ATOM 353 O SER A 31 -8.134 9.931 6.665 1.00 0.00 O ATOM 354 CB SER A 31 -7.599 8.381 4.431 1.00 0.00 C ATOM 355 OG SER A 31 -7.108 7.665 3.312 1.00 0.00 O ATOM 0 H SER A 31 -4.710 7.566 5.550 1.00 0.00 H new ATOM 0 HA SER A 31 -5.791 9.415 4.965 1.00 0.00 H new ATOM 0 HB2 SER A 31 -8.372 7.796 4.929 1.00 0.00 H new ATOM 0 HB3 SER A 31 -8.066 9.307 4.097 1.00 0.00 H new ATOM 0 HG SER A 31 -6.140 7.797 3.239 1.00 0.00 H new ATOM 361 N TRP A 32 -6.311 9.233 7.797 1.00 0.00 N ATOM 362 CA TRP A 32 -6.733 9.807 9.075 1.00 0.00 C ATOM 363 C TRP A 32 -5.539 9.995 10.015 1.00 0.00 C ATOM 364 O TRP A 32 -5.437 11.014 10.701 1.00 0.00 O ATOM 365 CB TRP A 32 -7.813 8.937 9.741 1.00 0.00 C ATOM 366 CG TRP A 32 -7.306 7.629 10.281 1.00 0.00 C ATOM 367 CD1 TRP A 32 -7.301 6.422 9.641 1.00 0.00 C ATOM 368 CD2 TRP A 32 -6.739 7.395 11.578 1.00 0.00 C ATOM 369 NE1 TRP A 32 -6.758 5.458 10.455 1.00 0.00 N ATOM 370 CE2 TRP A 32 -6.407 6.028 11.648 1.00 0.00 C ATOM 371 CE3 TRP A 32 -6.478 8.209 12.682 1.00 0.00 C ATOM 372 CZ2 TRP A 32 -5.828 5.461 12.781 1.00 0.00 C ATOM 373 CZ3 TRP A 32 -5.904 7.645 13.805 1.00 0.00 C ATOM 374 CH2 TRP A 32 -5.584 6.283 13.848 1.00 0.00 C ATOM 0 H TRP A 32 -5.413 8.750 7.832 1.00 0.00 H new ATOM 0 HA TRP A 32 -7.163 10.788 8.871 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -8.267 9.502 10.555 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -8.601 8.736 9.015 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -7.670 6.251 8.641 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -6.636 4.476 10.209 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -6.721 9.261 12.658 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -5.580 4.410 12.816 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -5.699 8.266 14.665 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -5.136 5.873 14.741 1.00 0.00 H new ATOM 385 N CYS A 33 -4.636 9.012 10.038 1.00 0.00 N ATOM 386 CA CYS A 33 -3.455 9.081 10.888 1.00 0.00 C ATOM 387 C CYS A 33 -2.246 9.571 10.095 1.00 0.00 C ATOM 388 O CYS A 33 -2.121 9.285 8.903 1.00 0.00 O ATOM 389 CB CYS A 33 -3.158 7.711 11.509 1.00 0.00 C ATOM 390 SG CYS A 33 -2.726 6.421 10.315 1.00 0.00 S ATOM 0 H CYS A 33 -4.704 8.162 9.478 1.00 0.00 H new ATOM 0 HA CYS A 33 -3.656 9.792 11.689 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -2.339 7.819 12.220 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -4.031 7.386 12.075 1.00 0.00 H new ATOM 0 HG CYS A 33 -2.314 6.971 9.211 1.00 0.00 H new ATOM 396 N PRO A 34 -1.331 10.312 10.756 1.00 0.00 N ATOM 397 CA PRO A 34 -0.114 10.840 10.118 1.00 0.00 C ATOM 398 C PRO A 34 0.725 9.747 9.457 1.00 0.00 C ATOM 399 O PRO A 34 1.543 10.032 8.581 1.00 0.00 O ATOM 400 CB PRO A 34 0.659 11.463 11.282 1.00 0.00 C ATOM 401 CG PRO A 34 -0.382 11.778 12.297 1.00 0.00 C ATOM 402 CD PRO A 34 -1.406 10.685 12.179 1.00 0.00 C ATOM 0 HA PRO A 34 -0.353 11.540 9.318 1.00 0.00 H new ATOM 0 HB2 PRO A 34 1.403 10.772 11.679 1.00 0.00 H new ATOM 0 HB3 PRO A 34 1.192 12.361 10.969 1.00 0.00 H new ATOM 0 HG2 PRO A 34 0.045 11.809 13.300 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -0.828 12.755 12.111 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -1.173 9.842 12.830 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -2.402 11.034 12.453 1.00 0.00 H new ATOM 410 N ASP A 35 0.516 8.495 9.883 1.00 0.00 N ATOM 411 CA ASP A 35 1.247 7.355 9.334 1.00 0.00 C ATOM 412 C ASP A 35 1.173 7.337 7.807 1.00 0.00 C ATOM 413 O ASP A 35 2.159 7.033 7.135 1.00 0.00 O ATOM 414 CB ASP A 35 0.685 6.041 9.890 1.00 0.00 C ATOM 415 CG ASP A 35 1.763 5.006 10.155 1.00 0.00 C ATOM 416 OD1 ASP A 35 2.839 5.086 9.525 1.00 0.00 O ATOM 417 OD2 ASP A 35 1.529 4.109 10.990 1.00 0.00 O ATOM 0 H ASP A 35 -0.157 8.249 10.609 1.00 0.00 H new ATOM 0 HA ASP A 35 2.291 7.456 9.631 1.00 0.00 H new ATOM 0 HB2 ASP A 35 0.147 6.244 10.816 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -0.038 5.633 9.184 1.00 0.00 H new ATOM 422 N CYS A 36 -0.001 7.668 7.267 1.00 0.00 N ATOM 423 CA CYS A 36 -0.199 7.692 5.821 1.00 0.00 C ATOM 424 C CYS A 36 0.450 8.924 5.196 1.00 0.00 C ATOM 425 O CYS A 36 0.999 8.856 4.095 1.00 0.00 O ATOM 426 CB CYS A 36 -1.693 7.656 5.480 1.00 0.00 C ATOM 427 SG CYS A 36 -2.597 9.170 5.887 1.00 0.00 S ATOM 0 H CYS A 36 -0.826 7.922 7.810 1.00 0.00 H new ATOM 0 HA CYS A 36 0.280 6.805 5.406 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -1.804 7.458 4.414 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -2.153 6.821 6.009 1.00 0.00 H new ATOM 0 HG CYS A 36 -2.442 9.442 7.149 1.00 0.00 H new ATOM 433 N VAL A 37 0.388 10.052 5.907 1.00 0.00 N ATOM 434 CA VAL A 37 0.970 11.300 5.423 1.00 0.00 C ATOM 435 C VAL A 37 2.477 11.164 5.198 1.00 0.00 C ATOM 436 O VAL A 37 3.025 11.760 4.270 1.00 0.00 O ATOM 437 CB VAL A 37 0.703 12.474 6.391 1.00 0.00 C ATOM 438 CG1 VAL A 37 1.146 13.787 5.761 1.00 0.00 C ATOM 439 CG2 VAL A 37 -0.770 12.533 6.783 1.00 0.00 C ATOM 0 H VAL A 37 -0.060 10.124 6.820 1.00 0.00 H new ATOM 0 HA VAL A 37 0.485 11.516 4.471 1.00 0.00 H new ATOM 0 HB VAL A 37 1.284 12.310 7.298 1.00 0.00 H new ATOM 0 HG11 VAL A 37 0.952 14.606 6.453 1.00 0.00 H new ATOM 0 HG12 VAL A 37 2.212 13.743 5.540 1.00 0.00 H new ATOM 0 HG13 VAL A 37 0.591 13.953 4.838 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -0.932 13.368 7.465 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -1.379 12.671 5.890 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -1.053 11.603 7.275 1.00 0.00 H new ATOM 449 N TYR A 38 3.147 10.379 6.045 1.00 0.00 N ATOM 450 CA TYR A 38 4.592 10.173 5.921 1.00 0.00 C ATOM 451 C TYR A 38 4.944 9.592 4.551 1.00 0.00 C ATOM 452 O TYR A 38 5.796 10.131 3.842 1.00 0.00 O ATOM 453 CB TYR A 38 5.103 9.241 7.026 1.00 0.00 C ATOM 454 CG TYR A 38 6.603 9.010 6.986 1.00 0.00 C ATOM 455 CD1 TYR A 38 7.477 9.883 7.621 1.00 0.00 C ATOM 456 CD2 TYR A 38 7.141 7.916 6.317 1.00 0.00 C ATOM 457 CE1 TYR A 38 8.843 9.677 7.590 1.00 0.00 C ATOM 458 CE2 TYR A 38 8.506 7.701 6.281 1.00 0.00 C ATOM 459 CZ TYR A 38 9.352 8.584 6.920 1.00 0.00 C ATOM 460 OH TYR A 38 10.712 8.374 6.890 1.00 0.00 O ATOM 0 H TYR A 38 2.714 9.878 6.821 1.00 0.00 H new ATOM 0 HA TYR A 38 5.077 11.144 6.025 1.00 0.00 H new ATOM 0 HB2 TYR A 38 4.835 9.661 7.996 1.00 0.00 H new ATOM 0 HB3 TYR A 38 4.594 8.281 6.943 1.00 0.00 H new ATOM 0 HD1 TYR A 38 7.082 10.738 8.149 1.00 0.00 H new ATOM 0 HD2 TYR A 38 6.481 7.223 5.817 1.00 0.00 H new ATOM 0 HE1 TYR A 38 9.508 10.368 8.087 1.00 0.00 H new ATOM 0 HE2 TYR A 38 8.908 6.847 5.756 1.00 0.00 H new ATOM 0 HH TYR A 38 10.991 8.170 5.973 1.00 0.00 H new ATOM 470 N ALA A 39 4.283 8.489 4.189 1.00 0.00 N ATOM 471 CA ALA A 39 4.526 7.830 2.903 1.00 0.00 C ATOM 472 C ALA A 39 4.189 8.750 1.728 1.00 0.00 C ATOM 473 O ALA A 39 4.842 8.699 0.688 1.00 0.00 O ATOM 474 CB ALA A 39 3.728 6.536 2.806 1.00 0.00 C ATOM 0 H ALA A 39 3.577 8.034 4.767 1.00 0.00 H new ATOM 0 HA ALA A 39 5.589 7.594 2.849 1.00 0.00 H new ATOM 0 HB1 ALA A 39 3.921 6.061 1.844 1.00 0.00 H new ATOM 0 HB2 ALA A 39 4.027 5.863 3.610 1.00 0.00 H new ATOM 0 HB3 ALA A 39 2.664 6.757 2.894 1.00 0.00 H new ATOM 480 N ASN A 40 3.168 9.593 1.904 1.00 0.00 N ATOM 481 CA ASN A 40 2.753 10.524 0.859 1.00 0.00 C ATOM 482 C ASN A 40 3.735 11.686 0.739 1.00 0.00 C ATOM 483 O ASN A 40 3.896 12.259 -0.338 1.00 0.00 O ATOM 484 CB ASN A 40 1.350 11.062 1.146 1.00 0.00 C ATOM 485 CG ASN A 40 0.265 10.219 0.505 1.00 0.00 C ATOM 486 OD1 ASN A 40 0.248 8.997 0.646 1.00 0.00 O ATOM 487 ND2 ASN A 40 -0.647 10.870 -0.207 1.00 0.00 N ATOM 0 H ASN A 40 2.616 9.648 2.760 1.00 0.00 H new ATOM 0 HA ASN A 40 2.741 9.980 -0.085 1.00 0.00 H new ATOM 0 HB2 ASN A 40 1.190 11.096 2.224 1.00 0.00 H new ATOM 0 HB3 ASN A 40 1.275 12.086 0.780 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -1.400 10.356 -0.663 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -0.594 11.885 -0.297 1.00 0.00 H new ATOM 494 N SER A 41 4.383 12.034 1.851 1.00 0.00 N ATOM 495 CA SER A 41 5.341 13.130 1.867 1.00 0.00 C ATOM 496 C SER A 41 6.551 12.809 0.996 1.00 0.00 C ATOM 497 O SER A 41 6.960 13.617 0.160 1.00 0.00 O ATOM 498 CB SER A 41 5.789 13.425 3.302 1.00 0.00 C ATOM 499 OG SER A 41 6.622 14.571 3.355 1.00 0.00 O ATOM 0 H SER A 41 4.259 11.570 2.751 1.00 0.00 H new ATOM 0 HA SER A 41 4.850 14.014 1.460 1.00 0.00 H new ATOM 0 HB2 SER A 41 4.914 13.579 3.934 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.325 12.564 3.703 1.00 0.00 H new ATOM 0 HG SER A 41 6.892 14.737 4.282 1.00 0.00 H new ATOM 505 N ILE A 42 7.117 11.617 1.189 1.00 0.00 N ATOM 506 CA ILE A 42 8.276 11.184 0.414 1.00 0.00 C ATOM 507 C ILE A 42 7.913 11.024 -1.062 1.00 0.00 C ATOM 508 O ILE A 42 8.680 11.412 -1.943 1.00 0.00 O ATOM 509 CB ILE A 42 8.856 9.853 0.947 1.00 0.00 C ATOM 510 CG1 ILE A 42 9.052 9.920 2.467 1.00 0.00 C ATOM 511 CG2 ILE A 42 10.171 9.529 0.250 1.00 0.00 C ATOM 512 CD1 ILE A 42 9.987 11.023 2.917 1.00 0.00 C ATOM 0 H ILE A 42 6.791 10.936 1.875 1.00 0.00 H new ATOM 0 HA ILE A 42 9.036 11.958 0.519 1.00 0.00 H new ATOM 0 HB ILE A 42 8.146 9.056 0.729 1.00 0.00 H new ATOM 0 HG12 ILE A 42 8.082 10.063 2.943 1.00 0.00 H new ATOM 0 HG13 ILE A 42 9.440 8.963 2.816 1.00 0.00 H new ATOM 0 HG21 ILE A 42 10.566 8.589 0.637 1.00 0.00 H new ATOM 0 HG22 ILE A 42 10.001 9.437 -0.823 1.00 0.00 H new ATOM 0 HG23 ILE A 42 10.888 10.328 0.437 1.00 0.00 H new ATOM 0 HD11 ILE A 42 10.074 11.005 4.003 1.00 0.00 H new ATOM 0 HD12 ILE A 42 10.970 10.871 2.472 1.00 0.00 H new ATOM 0 HD13 ILE A 42 9.591 11.988 2.600 1.00 0.00 H new ATOM 524 N TRP A 43 6.734 10.456 -1.320 1.00 0.00 N ATOM 525 CA TRP A 43 6.260 10.250 -2.687 1.00 0.00 C ATOM 526 C TRP A 43 6.000 11.584 -3.388 1.00 0.00 C ATOM 527 O TRP A 43 6.263 11.725 -4.583 1.00 0.00 O ATOM 528 CB TRP A 43 4.988 9.398 -2.688 1.00 0.00 C ATOM 529 CG TRP A 43 5.262 7.926 -2.590 1.00 0.00 C ATOM 530 CD1 TRP A 43 6.084 7.309 -1.692 1.00 0.00 C ATOM 531 CD2 TRP A 43 4.720 6.887 -3.417 1.00 0.00 C ATOM 532 NE1 TRP A 43 6.088 5.954 -1.908 1.00 0.00 N ATOM 533 CE2 TRP A 43 5.260 5.668 -2.961 1.00 0.00 C ATOM 534 CE3 TRP A 43 3.832 6.867 -4.497 1.00 0.00 C ATOM 535 CZ2 TRP A 43 4.941 4.447 -3.546 1.00 0.00 C ATOM 536 CZ3 TRP A 43 3.516 5.651 -5.076 1.00 0.00 C ATOM 537 CH2 TRP A 43 4.070 4.455 -4.600 1.00 0.00 C ATOM 0 H TRP A 43 6.090 10.131 -0.599 1.00 0.00 H new ATOM 0 HA TRP A 43 7.040 9.723 -3.236 1.00 0.00 H new ATOM 0 HB2 TRP A 43 4.356 9.700 -1.853 1.00 0.00 H new ATOM 0 HB3 TRP A 43 4.426 9.596 -3.601 1.00 0.00 H new ATOM 0 HD1 TRP A 43 6.649 7.814 -0.923 1.00 0.00 H new ATOM 0 HE1 TRP A 43 6.621 5.270 -1.371 1.00 0.00 H new ATOM 0 HE3 TRP A 43 3.401 7.784 -4.872 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 5.367 3.524 -3.180 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 2.830 5.623 -5.910 1.00 0.00 H new ATOM 0 HH2 TRP A 43 3.804 3.522 -5.075 1.00 0.00 H new ATOM 548 N ASN A 44 5.490 12.564 -2.635 1.00 0.00 N ATOM 549 CA ASN A 44 5.202 13.890 -3.182 1.00 0.00 C ATOM 550 C ASN A 44 6.480 14.568 -3.675 1.00 0.00 C ATOM 551 O ASN A 44 6.470 15.263 -4.693 1.00 0.00 O ATOM 552 CB ASN A 44 4.521 14.765 -2.124 1.00 0.00 C ATOM 553 CG ASN A 44 3.992 16.068 -2.699 1.00 0.00 C ATOM 554 OD1 ASN A 44 4.692 17.079 -2.718 1.00 0.00 O ATOM 555 ND2 ASN A 44 2.748 16.050 -3.166 1.00 0.00 N ATOM 0 H ASN A 44 5.269 12.462 -1.645 1.00 0.00 H new ATOM 0 HA ASN A 44 4.529 13.766 -4.030 1.00 0.00 H new ATOM 0 HB2 ASN A 44 3.698 14.210 -1.673 1.00 0.00 H new ATOM 0 HB3 ASN A 44 5.231 14.985 -1.327 1.00 0.00 H new ATOM 0 HD21 ASN A 44 2.339 16.897 -3.560 1.00 0.00 H new ATOM 0 HD22 ASN A 44 2.202 15.189 -3.131 1.00 0.00 H new ATOM 562 N LYS A 45 7.579 14.360 -2.949 1.00 0.00 N ATOM 563 CA LYS A 45 8.865 14.950 -3.311 1.00 0.00 C ATOM 564 C LYS A 45 9.594 14.101 -4.356 1.00 0.00 C ATOM 565 O LYS A 45 10.346 14.632 -5.174 1.00 0.00 O ATOM 566 CB LYS A 45 9.744 15.110 -2.066 1.00 0.00 C ATOM 567 CG LYS A 45 10.915 16.066 -2.261 1.00 0.00 C ATOM 568 CD LYS A 45 11.850 16.064 -1.058 1.00 0.00 C ATOM 569 CE LYS A 45 11.244 16.801 0.130 1.00 0.00 C ATOM 570 NZ LYS A 45 11.569 18.257 0.117 1.00 0.00 N ATOM 0 H LYS A 45 7.603 13.786 -2.106 1.00 0.00 H new ATOM 0 HA LYS A 45 8.671 15.931 -3.745 1.00 0.00 H new ATOM 0 HB2 LYS A 45 9.128 15.468 -1.241 1.00 0.00 H new ATOM 0 HB3 LYS A 45 10.129 14.132 -1.776 1.00 0.00 H new ATOM 0 HG2 LYS A 45 11.471 15.783 -3.155 1.00 0.00 H new ATOM 0 HG3 LYS A 45 10.537 17.075 -2.427 1.00 0.00 H new ATOM 0 HD2 LYS A 45 12.073 15.036 -0.773 1.00 0.00 H new ATOM 0 HD3 LYS A 45 12.796 16.531 -1.332 1.00 0.00 H new ATOM 0 HE2 LYS A 45 10.162 16.672 0.121 1.00 0.00 H new ATOM 0 HE3 LYS A 45 11.610 16.357 1.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 11.136 18.717 0.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 12.601 18.383 0.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 11.197 18.688 -0.753 1.00 0.00 H new ATOM 584 N LEU A 46 9.376 12.782 -4.326 1.00 0.00 N ATOM 585 CA LEU A 46 10.032 11.882 -5.275 1.00 0.00 C ATOM 586 C LEU A 46 9.325 11.862 -6.638 1.00 0.00 C ATOM 587 O LEU A 46 9.843 11.278 -7.591 1.00 0.00 O ATOM 588 CB LEU A 46 10.086 10.456 -4.720 1.00 0.00 C ATOM 589 CG LEU A 46 11.221 10.171 -3.733 1.00 0.00 C ATOM 590 CD1 LEU A 46 10.949 8.879 -2.977 1.00 0.00 C ATOM 591 CD2 LEU A 46 12.560 10.091 -4.457 1.00 0.00 C ATOM 0 H LEU A 46 8.756 12.319 -3.661 1.00 0.00 H new ATOM 0 HA LEU A 46 11.043 12.263 -5.418 1.00 0.00 H new ATOM 0 HB2 LEU A 46 9.138 10.241 -4.227 1.00 0.00 H new ATOM 0 HB3 LEU A 46 10.174 9.763 -5.557 1.00 0.00 H new ATOM 0 HG LEU A 46 11.269 10.992 -3.018 1.00 0.00 H new ATOM 0 HD11 LEU A 46 11.764 8.688 -2.278 1.00 0.00 H new ATOM 0 HD12 LEU A 46 10.013 8.970 -2.426 1.00 0.00 H new ATOM 0 HD13 LEU A 46 10.876 8.052 -3.684 1.00 0.00 H new ATOM 0 HD21 LEU A 46 13.352 9.888 -3.736 1.00 0.00 H new ATOM 0 HD22 LEU A 46 12.527 9.290 -5.195 1.00 0.00 H new ATOM 0 HD23 LEU A 46 12.760 11.038 -4.958 1.00 0.00 H new ATOM 603 N ASN A 47 8.149 12.498 -6.732 1.00 0.00 N ATOM 604 CA ASN A 47 7.393 12.540 -7.983 1.00 0.00 C ATOM 605 C ASN A 47 7.283 11.140 -8.607 1.00 0.00 C ATOM 606 O ASN A 47 7.480 10.965 -9.811 1.00 0.00 O ATOM 607 CB ASN A 47 8.060 13.518 -8.957 1.00 0.00 C ATOM 608 CG ASN A 47 7.229 13.772 -10.204 1.00 0.00 C ATOM 609 OD1 ASN A 47 7.694 13.560 -11.323 1.00 0.00 O ATOM 610 ND2 ASN A 47 5.993 14.229 -10.020 1.00 0.00 N ATOM 0 H ASN A 47 7.705 12.988 -5.956 1.00 0.00 H new ATOM 0 HA ASN A 47 6.382 12.887 -7.769 1.00 0.00 H new ATOM 0 HB2 ASN A 47 8.239 14.465 -8.447 1.00 0.00 H new ATOM 0 HB3 ASN A 47 9.033 13.124 -9.249 1.00 0.00 H new ATOM 0 HD21 ASN A 47 5.394 14.416 -10.824 1.00 0.00 H new ATOM 0 HD22 ASN A 47 5.645 14.392 -9.075 1.00 0.00 H new ATOM 617 N VAL A 48 6.964 10.145 -7.776 1.00 0.00 N ATOM 618 CA VAL A 48 6.826 8.765 -8.246 1.00 0.00 C ATOM 619 C VAL A 48 5.413 8.232 -7.987 1.00 0.00 C ATOM 620 O VAL A 48 5.231 7.064 -7.640 1.00 0.00 O ATOM 621 CB VAL A 48 7.860 7.824 -7.582 1.00 0.00 C ATOM 622 CG1 VAL A 48 9.276 8.201 -7.995 1.00 0.00 C ATOM 623 CG2 VAL A 48 7.717 7.837 -6.064 1.00 0.00 C ATOM 0 H VAL A 48 6.797 10.269 -6.777 1.00 0.00 H new ATOM 0 HA VAL A 48 7.013 8.781 -9.320 1.00 0.00 H new ATOM 0 HB VAL A 48 7.662 6.810 -7.929 1.00 0.00 H new ATOM 0 HG11 VAL A 48 9.986 7.527 -7.517 1.00 0.00 H new ATOM 0 HG12 VAL A 48 9.373 8.121 -9.078 1.00 0.00 H new ATOM 0 HG13 VAL A 48 9.484 9.226 -7.687 1.00 0.00 H new ATOM 0 HG21 VAL A 48 8.455 7.167 -5.623 1.00 0.00 H new ATOM 0 HG22 VAL A 48 7.877 8.849 -5.692 1.00 0.00 H new ATOM 0 HG23 VAL A 48 6.716 7.504 -5.790 1.00 0.00 H new ATOM 633 N GLN A 49 4.411 9.101 -8.168 1.00 0.00 N ATOM 634 CA GLN A 49 3.013 8.724 -7.961 1.00 0.00 C ATOM 635 C GLN A 49 2.322 8.414 -9.293 1.00 0.00 C ATOM 636 O GLN A 49 1.117 8.631 -9.444 1.00 0.00 O ATOM 637 CB GLN A 49 2.269 9.849 -7.226 1.00 0.00 C ATOM 638 CG GLN A 49 1.146 9.356 -6.326 1.00 0.00 C ATOM 639 CD GLN A 49 1.020 10.171 -5.051 1.00 0.00 C ATOM 640 OE1 GLN A 49 1.905 10.145 -4.197 1.00 0.00 O ATOM 641 NE2 GLN A 49 -0.084 10.898 -4.915 1.00 0.00 N ATOM 0 H GLN A 49 4.546 10.070 -8.458 1.00 0.00 H new ATOM 0 HA GLN A 49 2.990 7.821 -7.351 1.00 0.00 H new ATOM 0 HB2 GLN A 49 2.983 10.412 -6.625 1.00 0.00 H new ATOM 0 HB3 GLN A 49 1.856 10.540 -7.961 1.00 0.00 H new ATOM 0 HG2 GLN A 49 0.204 9.395 -6.872 1.00 0.00 H new ATOM 0 HG3 GLN A 49 1.323 8.312 -6.069 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -0.793 10.891 -5.648 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -0.222 11.463 -4.077 1.00 0.00 H new ATOM 650 N ASP A 50 3.095 7.899 -10.255 1.00 0.00 N ATOM 651 CA ASP A 50 2.566 7.550 -11.574 1.00 0.00 C ATOM 652 C ASP A 50 2.778 6.067 -11.866 1.00 0.00 C ATOM 653 O ASP A 50 1.846 5.366 -12.257 1.00 0.00 O ATOM 654 CB ASP A 50 3.236 8.390 -12.666 1.00 0.00 C ATOM 655 CG ASP A 50 2.567 9.738 -12.861 1.00 0.00 C ATOM 656 OD1 ASP A 50 1.349 9.765 -13.137 1.00 0.00 O ATOM 657 OD2 ASP A 50 3.264 10.768 -12.741 1.00 0.00 O ATOM 0 H ASP A 50 4.092 7.715 -10.142 1.00 0.00 H new ATOM 0 HA ASP A 50 1.497 7.761 -11.571 1.00 0.00 H new ATOM 0 HB2 ASP A 50 4.284 8.543 -12.409 1.00 0.00 H new ATOM 0 HB3 ASP A 50 3.215 7.839 -13.606 1.00 0.00 H new ATOM 662 N LYS A 51 4.010 5.597 -11.667 1.00 0.00 N ATOM 663 CA LYS A 51 4.350 4.192 -11.900 1.00 0.00 C ATOM 664 C LYS A 51 3.559 3.266 -10.967 1.00 0.00 C ATOM 665 O LYS A 51 3.332 2.097 -11.290 1.00 0.00 O ATOM 666 CB LYS A 51 5.855 3.973 -11.707 1.00 0.00 C ATOM 667 CG LYS A 51 6.708 4.564 -12.823 1.00 0.00 C ATOM 668 CD LYS A 51 7.224 5.952 -12.466 1.00 0.00 C ATOM 669 CE LYS A 51 6.901 6.968 -13.555 1.00 0.00 C ATOM 670 NZ LYS A 51 8.073 7.244 -14.436 1.00 0.00 N ATOM 0 H LYS A 51 4.790 6.169 -11.345 1.00 0.00 H new ATOM 0 HA LYS A 51 4.081 3.947 -12.927 1.00 0.00 H new ATOM 0 HB2 LYS A 51 6.159 4.414 -10.757 1.00 0.00 H new ATOM 0 HB3 LYS A 51 6.052 2.903 -11.639 1.00 0.00 H new ATOM 0 HG2 LYS A 51 7.551 3.903 -13.025 1.00 0.00 H new ATOM 0 HG3 LYS A 51 6.120 4.619 -13.739 1.00 0.00 H new ATOM 0 HD2 LYS A 51 6.781 6.274 -11.524 1.00 0.00 H new ATOM 0 HD3 LYS A 51 8.303 5.912 -12.314 1.00 0.00 H new ATOM 0 HE2 LYS A 51 6.073 6.598 -14.160 1.00 0.00 H new ATOM 0 HE3 LYS A 51 6.568 7.898 -13.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 7.806 7.940 -15.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 8.855 7.622 -13.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 8.376 6.362 -14.897 1.00 0.00 H new ATOM 684 N VAL A 52 3.140 3.794 -9.812 1.00 0.00 N ATOM 685 CA VAL A 52 2.375 3.022 -8.838 1.00 0.00 C ATOM 686 C VAL A 52 0.991 3.644 -8.632 1.00 0.00 C ATOM 687 O VAL A 52 0.815 4.850 -8.822 1.00 0.00 O ATOM 688 CB VAL A 52 3.113 2.952 -7.481 1.00 0.00 C ATOM 689 CG1 VAL A 52 2.326 2.133 -6.467 1.00 0.00 C ATOM 690 CG2 VAL A 52 4.516 2.383 -7.656 1.00 0.00 C ATOM 0 H VAL A 52 3.321 4.758 -9.532 1.00 0.00 H new ATOM 0 HA VAL A 52 2.264 2.011 -9.230 1.00 0.00 H new ATOM 0 HB VAL A 52 3.199 3.969 -7.098 1.00 0.00 H new ATOM 0 HG11 VAL A 52 2.870 2.102 -5.523 1.00 0.00 H new ATOM 0 HG12 VAL A 52 1.350 2.591 -6.308 1.00 0.00 H new ATOM 0 HG13 VAL A 52 2.194 1.118 -6.843 1.00 0.00 H new ATOM 0 HG21 VAL A 52 5.016 2.343 -6.688 1.00 0.00 H new ATOM 0 HG22 VAL A 52 4.452 1.378 -8.073 1.00 0.00 H new ATOM 0 HG23 VAL A 52 5.085 3.020 -8.333 1.00 0.00 H new ATOM 700 N PHE A 53 0.017 2.826 -8.227 1.00 0.00 N ATOM 701 CA PHE A 53 -1.335 3.308 -7.985 1.00 0.00 C ATOM 702 C PHE A 53 -1.700 3.136 -6.516 1.00 0.00 C ATOM 703 O PHE A 53 -1.867 2.018 -6.025 1.00 0.00 O ATOM 704 CB PHE A 53 -2.345 2.562 -8.866 1.00 0.00 C ATOM 705 CG PHE A 53 -3.135 3.459 -9.782 1.00 0.00 C ATOM 706 CD1 PHE A 53 -3.876 4.517 -9.275 1.00 0.00 C ATOM 707 CD2 PHE A 53 -3.138 3.242 -11.152 1.00 0.00 C ATOM 708 CE1 PHE A 53 -4.603 5.339 -10.116 1.00 0.00 C ATOM 709 CE2 PHE A 53 -3.865 4.060 -11.996 1.00 0.00 C ATOM 710 CZ PHE A 53 -4.597 5.110 -11.477 1.00 0.00 C ATOM 0 H PHE A 53 0.144 1.828 -8.061 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.370 4.367 -8.240 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.813 1.824 -9.466 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -3.036 2.014 -8.225 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -3.885 4.701 -8.211 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -2.565 2.424 -11.564 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -5.175 6.159 -9.708 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -3.861 3.878 -13.061 1.00 0.00 H new ATOM 0 HZ PHE A 53 -5.164 5.751 -12.136 1.00 0.00 H new ATOM 720 N VAL A 54 -1.826 4.259 -5.827 1.00 0.00 N ATOM 721 CA VAL A 54 -2.174 4.267 -4.406 1.00 0.00 C ATOM 722 C VAL A 54 -3.604 4.758 -4.188 1.00 0.00 C ATOM 723 O VAL A 54 -4.067 5.678 -4.864 1.00 0.00 O ATOM 724 CB VAL A 54 -1.197 5.145 -3.590 1.00 0.00 C ATOM 725 CG1 VAL A 54 -1.236 6.596 -4.057 1.00 0.00 C ATOM 726 CG2 VAL A 54 -1.500 5.051 -2.100 1.00 0.00 C ATOM 0 H VAL A 54 -1.692 5.187 -6.229 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.097 3.238 -4.056 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.189 4.766 -3.760 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -0.539 7.188 -3.464 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -0.953 6.648 -5.108 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -2.244 6.991 -3.933 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -0.800 5.677 -1.546 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -2.518 5.393 -1.913 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -1.399 4.016 -1.773 1.00 0.00 H new ATOM 736 N PHE A 55 -4.298 4.136 -3.235 1.00 0.00 N ATOM 737 CA PHE A 55 -5.676 4.504 -2.917 1.00 0.00 C ATOM 738 C PHE A 55 -5.828 4.808 -1.428 1.00 0.00 C ATOM 739 O PHE A 55 -5.469 3.993 -0.576 1.00 0.00 O ATOM 740 CB PHE A 55 -6.642 3.393 -3.333 1.00 0.00 C ATOM 741 CG PHE A 55 -8.026 3.888 -3.654 1.00 0.00 C ATOM 742 CD1 PHE A 55 -8.217 4.896 -4.589 1.00 0.00 C ATOM 743 CD2 PHE A 55 -9.134 3.348 -3.021 1.00 0.00 C ATOM 744 CE1 PHE A 55 -9.488 5.354 -4.886 1.00 0.00 C ATOM 745 CE2 PHE A 55 -10.406 3.801 -3.315 1.00 0.00 C ATOM 746 CZ PHE A 55 -10.583 4.805 -4.247 1.00 0.00 C ATOM 0 H PHE A 55 -3.927 3.373 -2.669 1.00 0.00 H new ATOM 0 HA PHE A 55 -5.921 5.405 -3.479 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -6.238 2.879 -4.205 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -6.705 2.658 -2.530 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -7.363 5.328 -5.090 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -9.002 2.564 -2.290 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -9.624 6.139 -5.615 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -11.262 3.370 -2.816 1.00 0.00 H new ATOM 0 HZ PHE A 55 -11.577 5.161 -4.476 1.00 0.00 H new ATOM 756 N ASP A 56 -6.354 5.992 -1.129 1.00 0.00 N ATOM 757 CA ASP A 56 -6.549 6.427 0.250 1.00 0.00 C ATOM 758 C ASP A 56 -7.932 6.035 0.768 1.00 0.00 C ATOM 759 O ASP A 56 -8.950 6.356 0.149 1.00 0.00 O ATOM 760 CB ASP A 56 -6.365 7.945 0.345 1.00 0.00 C ATOM 761 CG ASP A 56 -4.911 8.356 0.225 1.00 0.00 C ATOM 762 OD1 ASP A 56 -4.399 8.397 -0.913 1.00 0.00 O ATOM 763 OD2 ASP A 56 -4.282 8.633 1.269 1.00 0.00 O ATOM 0 H ASP A 56 -6.654 6.671 -1.828 1.00 0.00 H new ATOM 0 HA ASP A 56 -5.805 5.929 0.872 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -6.943 8.429 -0.442 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -6.763 8.298 1.296 1.00 0.00 H new ATOM 768 N ILE A 57 -7.959 5.348 1.913 1.00 0.00 N ATOM 769 CA ILE A 57 -9.216 4.920 2.529 1.00 0.00 C ATOM 770 C ILE A 57 -9.873 6.080 3.279 1.00 0.00 C ATOM 771 O ILE A 57 -10.087 6.014 4.493 1.00 0.00 O ATOM 772 CB ILE A 57 -8.999 3.738 3.500 1.00 0.00 C ATOM 773 CG1 ILE A 57 -8.152 2.649 2.836 1.00 0.00 C ATOM 774 CG2 ILE A 57 -10.338 3.168 3.955 1.00 0.00 C ATOM 775 CD1 ILE A 57 -7.534 1.676 3.817 1.00 0.00 C ATOM 0 H ILE A 57 -7.124 5.077 2.432 1.00 0.00 H new ATOM 0 HA ILE A 57 -9.873 4.591 1.724 1.00 0.00 H new ATOM 0 HB ILE A 57 -8.465 4.105 4.376 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -8.774 2.096 2.132 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -7.358 3.121 2.257 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -10.166 2.336 4.638 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -10.910 3.944 4.464 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -10.897 2.816 3.088 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -6.949 0.934 3.274 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -6.885 2.217 4.506 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -8.323 1.176 4.379 1.00 0.00 H new ATOM 787 N GLY A 58 -10.189 7.144 2.544 1.00 0.00 N ATOM 788 CA GLY A 58 -10.818 8.307 3.142 1.00 0.00 C ATOM 789 C GLY A 58 -12.034 8.785 2.364 1.00 0.00 C ATOM 790 O GLY A 58 -12.473 9.923 2.537 1.00 0.00 O ATOM 0 H GLY A 58 -10.019 7.220 1.541 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -11.116 8.068 4.163 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -10.091 9.116 3.204 1.00 0.00 H new ATOM 794 N SER A 59 -12.581 7.917 1.507 1.00 0.00 N ATOM 795 CA SER A 59 -13.757 8.260 0.703 1.00 0.00 C ATOM 796 C SER A 59 -14.851 7.186 0.805 1.00 0.00 C ATOM 797 O SER A 59 -15.827 7.215 0.053 1.00 0.00 O ATOM 798 CB SER A 59 -13.346 8.457 -0.762 1.00 0.00 C ATOM 799 OG SER A 59 -12.784 7.273 -1.304 1.00 0.00 O ATOM 0 H SER A 59 -12.228 6.973 1.353 1.00 0.00 H new ATOM 0 HA SER A 59 -14.171 9.189 1.095 1.00 0.00 H new ATOM 0 HB2 SER A 59 -14.216 8.751 -1.349 1.00 0.00 H new ATOM 0 HB3 SER A 59 -12.624 9.270 -0.833 1.00 0.00 H new ATOM 0 HG SER A 59 -12.533 7.428 -2.239 1.00 0.00 H new ATOM 805 N LEU A 60 -14.682 6.238 1.734 1.00 0.00 N ATOM 806 CA LEU A 60 -15.647 5.157 1.927 1.00 0.00 C ATOM 807 C LEU A 60 -16.423 5.338 3.232 1.00 0.00 C ATOM 808 O LEU A 60 -15.829 5.560 4.286 1.00 0.00 O ATOM 809 CB LEU A 60 -14.930 3.802 1.950 1.00 0.00 C ATOM 810 CG LEU A 60 -13.891 3.569 0.844 1.00 0.00 C ATOM 811 CD1 LEU A 60 -14.432 3.999 -0.511 1.00 0.00 C ATOM 812 CD2 LEU A 60 -12.590 4.298 1.159 1.00 0.00 C ATOM 0 H LEU A 60 -13.881 6.201 2.365 1.00 0.00 H new ATOM 0 HA LEU A 60 -16.349 5.186 1.094 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -14.435 3.692 2.915 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -15.681 3.015 1.886 1.00 0.00 H new ATOM 0 HG LEU A 60 -13.682 2.500 0.802 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -13.676 3.823 -1.277 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -15.327 3.422 -0.745 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -14.681 5.060 -0.483 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -11.870 4.118 0.361 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -12.783 5.368 1.239 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -12.186 3.930 2.102 1.00 0.00 H new ATOM 824 N PRO A 61 -17.769 5.228 3.181 1.00 0.00 N ATOM 825 CA PRO A 61 -18.628 5.364 4.369 1.00 0.00 C ATOM 826 C PRO A 61 -18.442 4.202 5.351 1.00 0.00 C ATOM 827 O PRO A 61 -17.561 3.360 5.165 1.00 0.00 O ATOM 828 CB PRO A 61 -20.048 5.358 3.787 1.00 0.00 C ATOM 829 CG PRO A 61 -19.925 4.622 2.499 1.00 0.00 C ATOM 830 CD PRO A 61 -18.558 4.947 1.963 1.00 0.00 C ATOM 0 HA PRO A 61 -18.396 6.262 4.942 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -20.750 4.865 4.460 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -20.416 6.372 3.630 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -20.039 3.549 2.651 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -20.702 4.929 1.799 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -18.140 4.114 1.397 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -18.583 5.807 1.294 1.00 0.00 H new ATOM 838 N ARG A 62 -19.280 4.155 6.391 1.00 0.00 N ATOM 839 CA ARG A 62 -19.200 3.086 7.395 1.00 0.00 C ATOM 840 C ARG A 62 -19.771 1.755 6.877 1.00 0.00 C ATOM 841 O ARG A 62 -19.876 0.790 7.637 1.00 0.00 O ATOM 842 CB ARG A 62 -19.923 3.501 8.682 1.00 0.00 C ATOM 843 CG ARG A 62 -19.134 3.206 9.952 1.00 0.00 C ATOM 844 CD ARG A 62 -19.287 1.753 10.383 1.00 0.00 C ATOM 845 NE ARG A 62 -19.460 1.613 11.830 1.00 0.00 N ATOM 846 CZ ARG A 62 -19.880 0.490 12.427 1.00 0.00 C ATOM 847 NH1 ARG A 62 -20.159 -0.594 11.709 1.00 0.00 N ATOM 848 NH2 ARG A 62 -20.019 0.453 13.748 1.00 0.00 N ATOM 0 H ARG A 62 -20.017 4.839 6.561 1.00 0.00 H new ATOM 0 HA ARG A 62 -18.143 2.929 7.608 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -20.138 4.569 8.639 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -20.881 2.984 8.732 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -18.080 3.428 9.786 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -19.475 3.862 10.753 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -20.145 1.315 9.874 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -18.408 1.190 10.069 1.00 0.00 H new ATOM 0 HE ARG A 62 -19.248 2.419 12.419 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -20.054 -0.575 10.695 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -20.478 -1.445 12.173 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -19.806 1.279 14.307 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -20.339 -0.402 14.203 1.00 0.00 H new ATOM 862 N ASN A 63 -20.130 1.698 5.590 1.00 0.00 N ATOM 863 CA ASN A 63 -20.670 0.477 4.997 1.00 0.00 C ATOM 864 C ASN A 63 -19.691 -0.113 3.982 1.00 0.00 C ATOM 865 O ASN A 63 -19.455 -1.323 3.966 1.00 0.00 O ATOM 866 CB ASN A 63 -22.021 0.753 4.329 1.00 0.00 C ATOM 867 CG ASN A 63 -23.066 -0.291 4.678 1.00 0.00 C ATOM 868 OD1 ASN A 63 -23.469 -1.089 3.833 1.00 0.00 O ATOM 869 ND2 ASN A 63 -23.511 -0.288 5.930 1.00 0.00 N ATOM 0 H ASN A 63 -20.055 2.483 4.943 1.00 0.00 H new ATOM 0 HA ASN A 63 -20.818 -0.249 5.797 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -22.379 1.737 4.633 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -21.889 0.783 3.247 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -24.215 -0.966 6.223 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -23.149 0.392 6.598 1.00 0.00 H new ATOM 876 N GLU A 64 -19.116 0.748 3.138 1.00 0.00 N ATOM 877 CA GLU A 64 -18.161 0.307 2.126 1.00 0.00 C ATOM 878 C GLU A 64 -16.765 0.122 2.727 1.00 0.00 C ATOM 879 O GLU A 64 -16.081 -0.858 2.431 1.00 0.00 O ATOM 880 CB GLU A 64 -18.111 1.312 0.969 1.00 0.00 C ATOM 881 CG GLU A 64 -17.264 0.849 -0.209 1.00 0.00 C ATOM 882 CD GLU A 64 -18.081 0.184 -1.302 1.00 0.00 C ATOM 883 OE1 GLU A 64 -19.086 0.782 -1.743 1.00 0.00 O ATOM 884 OE2 GLU A 64 -17.711 -0.934 -1.720 1.00 0.00 O ATOM 0 H GLU A 64 -19.297 1.752 3.138 1.00 0.00 H new ATOM 0 HA GLU A 64 -18.495 -0.658 1.744 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -19.126 1.503 0.622 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -17.717 2.259 1.339 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -16.735 1.705 -0.628 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -16.507 0.150 0.147 1.00 0.00 H new ATOM 891 N GLN A 65 -16.347 1.067 3.573 1.00 0.00 N ATOM 892 CA GLN A 65 -15.031 0.998 4.210 1.00 0.00 C ATOM 893 C GLN A 65 -14.875 -0.278 5.046 1.00 0.00 C ATOM 894 O GLN A 65 -13.775 -0.822 5.153 1.00 0.00 O ATOM 895 CB GLN A 65 -14.787 2.230 5.091 1.00 0.00 C ATOM 896 CG GLN A 65 -13.313 2.539 5.310 1.00 0.00 C ATOM 897 CD GLN A 65 -13.065 3.990 5.676 1.00 0.00 C ATOM 898 OE1 GLN A 65 -13.126 4.876 4.824 1.00 0.00 O ATOM 899 NE2 GLN A 65 -12.778 4.242 6.950 1.00 0.00 N ATOM 0 H GLN A 65 -16.899 1.885 3.831 1.00 0.00 H new ATOM 0 HA GLN A 65 -14.288 0.977 3.413 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -15.267 3.095 4.633 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -15.265 2.075 6.058 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -12.926 1.898 6.102 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -12.757 2.297 4.404 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -12.738 3.478 7.624 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -12.598 5.199 7.253 1.00 0.00 H new ATOM 908 N GLU A 66 -15.977 -0.752 5.639 1.00 0.00 N ATOM 909 CA GLU A 66 -15.944 -1.961 6.462 1.00 0.00 C ATOM 910 C GLU A 66 -15.652 -3.197 5.613 1.00 0.00 C ATOM 911 O GLU A 66 -14.684 -3.911 5.867 1.00 0.00 O ATOM 912 CB GLU A 66 -17.266 -2.143 7.215 1.00 0.00 C ATOM 913 CG GLU A 66 -17.166 -1.824 8.697 1.00 0.00 C ATOM 914 CD GLU A 66 -16.862 -3.050 9.538 1.00 0.00 C ATOM 915 OE1 GLU A 66 -15.745 -3.596 9.408 1.00 0.00 O ATOM 916 OE2 GLU A 66 -17.741 -3.460 10.323 1.00 0.00 O ATOM 0 H GLU A 66 -16.897 -0.318 5.564 1.00 0.00 H new ATOM 0 HA GLU A 66 -15.140 -1.844 7.188 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -18.024 -1.503 6.764 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -17.605 -3.172 7.095 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -16.386 -1.079 8.853 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -18.103 -1.380 9.034 1.00 0.00 H new ATOM 923 N LYS A 67 -16.491 -3.445 4.608 1.00 0.00 N ATOM 924 CA LYS A 67 -16.305 -4.602 3.728 1.00 0.00 C ATOM 925 C LYS A 67 -14.936 -4.562 3.044 1.00 0.00 C ATOM 926 O LYS A 67 -14.347 -5.607 2.764 1.00 0.00 O ATOM 927 CB LYS A 67 -17.418 -4.666 2.677 1.00 0.00 C ATOM 928 CG LYS A 67 -18.299 -5.900 2.797 1.00 0.00 C ATOM 929 CD LYS A 67 -19.435 -5.684 3.788 1.00 0.00 C ATOM 930 CE LYS A 67 -19.845 -6.986 4.462 1.00 0.00 C ATOM 931 NZ LYS A 67 -18.708 -7.622 5.194 1.00 0.00 N ATOM 0 H LYS A 67 -17.300 -2.867 4.383 1.00 0.00 H new ATOM 0 HA LYS A 67 -16.352 -5.499 4.345 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -18.041 -3.776 2.765 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -16.970 -4.645 1.684 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -18.711 -6.150 1.819 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -17.695 -6.750 3.115 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -19.126 -4.963 4.545 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -20.293 -5.255 3.271 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -20.661 -6.792 5.158 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -20.225 -7.679 3.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -19.078 -8.200 5.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -18.170 -8.226 4.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -18.084 -6.883 5.576 1.00 0.00 H new ATOM 945 N TRP A 68 -14.435 -3.354 2.777 1.00 0.00 N ATOM 946 CA TRP A 68 -13.139 -3.193 2.125 1.00 0.00 C ATOM 947 C TRP A 68 -11.990 -3.526 3.075 1.00 0.00 C ATOM 948 O TRP A 68 -11.129 -4.339 2.744 1.00 0.00 O ATOM 949 CB TRP A 68 -12.977 -1.769 1.585 1.00 0.00 C ATOM 950 CG TRP A 68 -13.317 -1.650 0.131 1.00 0.00 C ATOM 951 CD1 TRP A 68 -14.118 -0.710 -0.450 1.00 0.00 C ATOM 952 CD2 TRP A 68 -12.869 -2.506 -0.927 1.00 0.00 C ATOM 953 NE1 TRP A 68 -14.199 -0.932 -1.805 1.00 0.00 N ATOM 954 CE2 TRP A 68 -13.439 -2.028 -2.121 1.00 0.00 C ATOM 955 CE3 TRP A 68 -12.039 -3.631 -0.980 1.00 0.00 C ATOM 956 CZ2 TRP A 68 -13.207 -2.635 -3.353 1.00 0.00 C ATOM 957 CZ3 TRP A 68 -11.811 -4.233 -2.204 1.00 0.00 C ATOM 958 CH2 TRP A 68 -12.392 -3.734 -3.375 1.00 0.00 C ATOM 0 H TRP A 68 -14.907 -2.478 3.002 1.00 0.00 H new ATOM 0 HA TRP A 68 -13.104 -3.894 1.291 1.00 0.00 H new ATOM 0 HB2 TRP A 68 -13.614 -1.095 2.157 1.00 0.00 H new ATOM 0 HB3 TRP A 68 -11.948 -1.443 1.739 1.00 0.00 H new ATOM 0 HD1 TRP A 68 -14.615 0.091 0.077 1.00 0.00 H new ATOM 0 HE1 TRP A 68 -14.737 -0.372 -2.467 1.00 0.00 H new ATOM 0 HE3 TRP A 68 -11.585 -4.022 -0.082 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 -13.654 -2.252 -4.258 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 -11.174 -5.103 -2.257 1.00 0.00 H new ATOM 0 HH2 TRP A 68 -12.193 -4.226 -4.315 1.00 0.00 H new ATOM 969 N ARG A 69 -11.975 -2.891 4.251 1.00 0.00 N ATOM 970 CA ARG A 69 -10.915 -3.129 5.235 1.00 0.00 C ATOM 971 C ARG A 69 -10.778 -4.615 5.562 1.00 0.00 C ATOM 972 O ARG A 69 -9.666 -5.127 5.666 1.00 0.00 O ATOM 973 CB ARG A 69 -11.159 -2.328 6.524 1.00 0.00 C ATOM 974 CG ARG A 69 -12.385 -2.769 7.310 1.00 0.00 C ATOM 975 CD ARG A 69 -12.405 -2.159 8.703 1.00 0.00 C ATOM 976 NE ARG A 69 -13.417 -1.114 8.822 1.00 0.00 N ATOM 977 CZ ARG A 69 -13.215 0.166 8.495 1.00 0.00 C ATOM 978 NH1 ARG A 69 -12.023 0.574 8.063 1.00 0.00 N ATOM 979 NH2 ARG A 69 -14.209 1.037 8.604 1.00 0.00 N ATOM 0 H ARG A 69 -12.679 -2.213 4.543 1.00 0.00 H new ATOM 0 HA ARG A 69 -9.982 -2.788 4.786 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -10.281 -2.414 7.164 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -11.265 -1.274 6.269 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -13.287 -2.478 6.772 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -12.397 -3.856 7.388 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -12.600 -2.939 9.439 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -11.424 -1.743 8.932 1.00 0.00 H new ATOM 0 HE ARG A 69 -14.336 -1.377 9.177 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -11.255 -0.092 7.980 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -11.878 1.553 7.816 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -15.123 0.729 8.936 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -14.060 2.015 8.356 1.00 0.00 H new ATOM 993 N ILE A 70 -11.908 -5.307 5.721 1.00 0.00 N ATOM 994 CA ILE A 70 -11.890 -6.733 6.035 1.00 0.00 C ATOM 995 C ILE A 70 -11.222 -7.538 4.919 1.00 0.00 C ATOM 996 O ILE A 70 -10.248 -8.251 5.159 1.00 0.00 O ATOM 997 CB ILE A 70 -13.312 -7.293 6.286 1.00 0.00 C ATOM 998 CG1 ILE A 70 -14.030 -6.483 7.371 1.00 0.00 C ATOM 999 CG2 ILE A 70 -13.238 -8.763 6.682 1.00 0.00 C ATOM 1000 CD1 ILE A 70 -15.537 -6.475 7.224 1.00 0.00 C ATOM 0 H ILE A 70 -12.841 -4.904 5.638 1.00 0.00 H new ATOM 0 HA ILE A 70 -11.311 -6.837 6.953 1.00 0.00 H new ATOM 0 HB ILE A 70 -13.884 -7.208 5.362 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -13.771 -6.890 8.348 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -13.666 -5.456 7.347 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -14.244 -9.144 6.856 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -12.767 -9.332 5.881 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -12.649 -8.865 7.594 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -15.978 -5.883 8.026 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -15.806 -6.040 6.262 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -15.913 -7.497 7.278 1.00 0.00 H new ATOM 1012 N ALA A 71 -11.754 -7.419 3.700 1.00 0.00 N ATOM 1013 CA ALA A 71 -11.211 -8.143 2.549 1.00 0.00 C ATOM 1014 C ALA A 71 -9.740 -7.804 2.312 1.00 0.00 C ATOM 1015 O ALA A 71 -8.919 -8.696 2.093 1.00 0.00 O ATOM 1016 CB ALA A 71 -12.027 -7.851 1.295 1.00 0.00 C ATOM 0 H ALA A 71 -12.558 -6.830 3.485 1.00 0.00 H new ATOM 0 HA ALA A 71 -11.277 -9.208 2.774 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -11.607 -8.399 0.452 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -13.060 -8.163 1.452 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -11.999 -6.782 1.084 1.00 0.00 H new ATOM 1022 N PHE A 72 -9.409 -6.512 2.350 1.00 0.00 N ATOM 1023 CA PHE A 72 -8.034 -6.066 2.128 1.00 0.00 C ATOM 1024 C PHE A 72 -7.090 -6.572 3.222 1.00 0.00 C ATOM 1025 O PHE A 72 -6.051 -7.158 2.923 1.00 0.00 O ATOM 1026 CB PHE A 72 -7.966 -4.537 2.044 1.00 0.00 C ATOM 1027 CG PHE A 72 -7.953 -4.006 0.633 1.00 0.00 C ATOM 1028 CD1 PHE A 72 -7.086 -4.531 -0.315 1.00 0.00 C ATOM 1029 CD2 PHE A 72 -8.803 -2.980 0.258 1.00 0.00 C ATOM 1030 CE1 PHE A 72 -7.071 -4.043 -1.610 1.00 0.00 C ATOM 1031 CE2 PHE A 72 -8.793 -2.487 -1.034 1.00 0.00 C ATOM 1032 CZ PHE A 72 -7.927 -3.019 -1.968 1.00 0.00 C ATOM 0 H PHE A 72 -10.072 -5.759 2.532 1.00 0.00 H new ATOM 0 HA PHE A 72 -7.707 -6.490 1.178 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -8.820 -4.115 2.573 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -7.069 -4.193 2.560 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -6.415 -5.330 -0.039 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -9.483 -2.559 0.984 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -6.392 -4.461 -2.339 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -9.462 -1.686 -1.312 1.00 0.00 H new ATOM 0 HZ PHE A 72 -7.918 -2.635 -2.978 1.00 0.00 H new ATOM 1042 N GLN A 73 -7.457 -6.343 4.487 1.00 0.00 N ATOM 1043 CA GLN A 73 -6.633 -6.781 5.622 1.00 0.00 C ATOM 1044 C GLN A 73 -6.418 -8.297 5.607 1.00 0.00 C ATOM 1045 O GLN A 73 -5.419 -8.791 6.131 1.00 0.00 O ATOM 1046 CB GLN A 73 -7.270 -6.353 6.948 1.00 0.00 C ATOM 1047 CG GLN A 73 -7.136 -4.864 7.240 1.00 0.00 C ATOM 1048 CD GLN A 73 -7.857 -4.446 8.508 1.00 0.00 C ATOM 1049 OE1 GLN A 73 -9.079 -4.560 8.607 1.00 0.00 O ATOM 1050 NE2 GLN A 73 -7.104 -3.953 9.488 1.00 0.00 N ATOM 0 H GLN A 73 -8.315 -5.859 4.752 1.00 0.00 H new ATOM 0 HA GLN A 73 -5.659 -6.301 5.525 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -8.327 -6.618 6.935 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -6.810 -6.916 7.760 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -6.080 -4.609 7.327 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -7.532 -4.296 6.398 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -6.094 -3.875 9.366 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -7.536 -3.653 10.362 1.00 0.00 H new ATOM 1059 N LYS A 74 -7.351 -9.035 5.002 1.00 0.00 N ATOM 1060 CA LYS A 74 -7.244 -10.488 4.922 1.00 0.00 C ATOM 1061 C LYS A 74 -6.329 -10.918 3.772 1.00 0.00 C ATOM 1062 O LYS A 74 -5.673 -11.956 3.852 1.00 0.00 O ATOM 1063 CB LYS A 74 -8.630 -11.112 4.739 1.00 0.00 C ATOM 1064 CG LYS A 74 -8.883 -12.311 5.642 1.00 0.00 C ATOM 1065 CD LYS A 74 -9.780 -13.344 4.970 1.00 0.00 C ATOM 1066 CE LYS A 74 -8.976 -14.512 4.414 1.00 0.00 C ATOM 1067 NZ LYS A 74 -8.079 -14.098 3.295 1.00 0.00 N ATOM 0 H LYS A 74 -8.186 -8.649 4.562 1.00 0.00 H new ATOM 0 HA LYS A 74 -6.807 -10.840 5.857 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -9.389 -10.354 4.934 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -8.746 -11.420 3.700 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -7.932 -12.773 5.908 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -9.346 -11.976 6.570 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -10.510 -13.715 5.689 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -10.339 -12.870 4.163 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -8.378 -14.952 5.212 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -9.658 -15.286 4.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -7.603 -14.936 2.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -8.642 -13.640 2.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -7.366 -13.429 3.651 1.00 0.00 H new ATOM 1081 N VAL A 75 -6.299 -10.127 2.696 1.00 0.00 N ATOM 1082 CA VAL A 75 -5.471 -10.452 1.533 1.00 0.00 C ATOM 1083 C VAL A 75 -4.029 -9.961 1.689 1.00 0.00 C ATOM 1084 O VAL A 75 -3.086 -10.716 1.453 1.00 0.00 O ATOM 1085 CB VAL A 75 -6.056 -9.858 0.230 1.00 0.00 C ATOM 1086 CG1 VAL A 75 -5.205 -10.264 -0.967 1.00 0.00 C ATOM 1087 CG2 VAL A 75 -7.503 -10.291 0.037 1.00 0.00 C ATOM 0 H VAL A 75 -6.834 -9.263 2.607 1.00 0.00 H new ATOM 0 HA VAL A 75 -5.469 -11.540 1.470 1.00 0.00 H new ATOM 0 HB VAL A 75 -6.040 -8.771 0.311 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -5.629 -9.838 -1.876 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -4.189 -9.894 -0.833 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -5.187 -11.351 -1.049 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -7.892 -9.860 -0.886 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -7.553 -11.378 -0.021 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -8.102 -9.945 0.879 1.00 0.00 H new ATOM 1097 N VAL A 76 -3.859 -8.698 2.078 1.00 0.00 N ATOM 1098 CA VAL A 76 -2.517 -8.126 2.245 1.00 0.00 C ATOM 1099 C VAL A 76 -2.457 -7.073 3.355 1.00 0.00 C ATOM 1100 O VAL A 76 -1.456 -6.984 4.070 1.00 0.00 O ATOM 1101 CB VAL A 76 -1.996 -7.491 0.934 1.00 0.00 C ATOM 1102 CG1 VAL A 76 -1.565 -8.571 -0.047 1.00 0.00 C ATOM 1103 CG2 VAL A 76 -3.047 -6.579 0.312 1.00 0.00 C ATOM 0 H VAL A 76 -4.623 -8.054 2.282 1.00 0.00 H new ATOM 0 HA VAL A 76 -1.880 -8.965 2.525 1.00 0.00 H new ATOM 0 HB VAL A 76 -1.126 -6.880 1.175 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -1.201 -8.106 -0.963 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -0.769 -9.169 0.397 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -2.415 -9.213 -0.278 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -2.654 -6.146 -0.608 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -3.943 -7.157 0.087 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -3.296 -5.781 1.011 1.00 0.00 H new ATOM 1113 N GLY A 77 -3.516 -6.269 3.486 1.00 0.00 N ATOM 1114 CA GLY A 77 -3.555 -5.226 4.500 1.00 0.00 C ATOM 1115 C GLY A 77 -3.097 -5.693 5.874 1.00 0.00 C ATOM 1116 O GLY A 77 -2.474 -4.928 6.610 1.00 0.00 O ATOM 0 H GLY A 77 -4.351 -6.324 2.903 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -2.926 -4.396 4.179 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -4.573 -4.843 4.576 1.00 0.00 H new ATOM 1120 N SER A 78 -3.409 -6.945 6.220 1.00 0.00 N ATOM 1121 CA SER A 78 -3.027 -7.505 7.516 1.00 0.00 C ATOM 1122 C SER A 78 -3.661 -6.720 8.666 1.00 0.00 C ATOM 1123 O SER A 78 -4.574 -5.920 8.454 1.00 0.00 O ATOM 1124 CB SER A 78 -1.501 -7.521 7.660 1.00 0.00 C ATOM 1125 OG SER A 78 -1.100 -8.328 8.755 1.00 0.00 O ATOM 0 H SER A 78 -3.925 -7.589 5.620 1.00 0.00 H new ATOM 0 HA SER A 78 -3.397 -8.529 7.563 1.00 0.00 H new ATOM 0 HB2 SER A 78 -1.050 -7.898 6.742 1.00 0.00 H new ATOM 0 HB3 SER A 78 -1.135 -6.504 7.801 1.00 0.00 H new ATOM 0 HG SER A 78 -0.122 -8.323 8.824 1.00 0.00 H new ATOM 1131 N ARG A 79 -3.169 -6.950 9.883 1.00 0.00 N ATOM 1132 CA ARG A 79 -3.681 -6.260 11.064 1.00 0.00 C ATOM 1133 C ARG A 79 -2.827 -5.029 11.391 1.00 0.00 C ATOM 1134 O ARG A 79 -2.545 -4.748 12.558 1.00 0.00 O ATOM 1135 CB ARG A 79 -3.707 -7.224 12.257 1.00 0.00 C ATOM 1136 CG ARG A 79 -4.706 -6.838 13.339 1.00 0.00 C ATOM 1137 CD ARG A 79 -4.149 -7.105 14.730 1.00 0.00 C ATOM 1138 NE ARG A 79 -3.941 -5.869 15.487 1.00 0.00 N ATOM 1139 CZ ARG A 79 -3.285 -5.805 16.651 1.00 0.00 C ATOM 1140 NH1 ARG A 79 -2.766 -6.902 17.199 1.00 0.00 N ATOM 1141 NH2 ARG A 79 -3.148 -4.639 17.270 1.00 0.00 N ATOM 0 H ARG A 79 -2.416 -7.610 10.076 1.00 0.00 H new ATOM 0 HA ARG A 79 -4.696 -5.920 10.856 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -3.944 -8.225 11.898 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -2.710 -7.271 12.696 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -4.959 -5.782 13.243 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -5.629 -7.400 13.201 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -4.834 -7.753 15.276 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -3.204 -7.641 14.645 1.00 0.00 H new ATOM 0 HE ARG A 79 -4.320 -5.003 15.103 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -2.867 -7.803 16.731 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -2.268 -6.842 18.087 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -3.543 -3.793 16.858 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -2.648 -4.588 18.158 1.00 0.00 H new ATOM 1155 N ASN A 80 -2.419 -4.297 10.348 1.00 0.00 N ATOM 1156 CA ASN A 80 -1.596 -3.098 10.513 1.00 0.00 C ATOM 1157 C ASN A 80 -1.672 -2.212 9.270 1.00 0.00 C ATOM 1158 O ASN A 80 -1.491 -2.690 8.150 1.00 0.00 O ATOM 1159 CB ASN A 80 -0.136 -3.489 10.775 1.00 0.00 C ATOM 1160 CG ASN A 80 0.682 -2.348 11.352 1.00 0.00 C ATOM 1161 OD1 ASN A 80 1.141 -1.468 10.625 1.00 0.00 O ATOM 1162 ND2 ASN A 80 0.876 -2.359 12.668 1.00 0.00 N ATOM 0 H ASN A 80 -2.647 -4.517 9.378 1.00 0.00 H new ATOM 0 HA ASN A 80 -1.980 -2.539 11.367 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -0.108 -4.334 11.463 1.00 0.00 H new ATOM 0 HB3 ASN A 80 0.320 -3.822 9.842 1.00 0.00 H new ATOM 0 HD21 ASN A 80 1.423 -1.619 13.109 1.00 0.00 H new ATOM 0 HD22 ASN A 80 0.478 -3.107 13.236 1.00 0.00 H new ATOM 1169 N LEU A 81 -1.930 -0.921 9.473 1.00 0.00 N ATOM 1170 CA LEU A 81 -2.017 0.033 8.364 1.00 0.00 C ATOM 1171 C LEU A 81 -1.191 1.284 8.660 1.00 0.00 C ATOM 1172 O LEU A 81 -0.981 1.632 9.824 1.00 0.00 O ATOM 1173 CB LEU A 81 -3.478 0.418 8.104 1.00 0.00 C ATOM 1174 CG LEU A 81 -4.281 -0.607 7.296 1.00 0.00 C ATOM 1175 CD1 LEU A 81 -5.774 -0.336 7.419 1.00 0.00 C ATOM 1176 CD2 LEU A 81 -3.853 -0.589 5.835 1.00 0.00 C ATOM 0 H LEU A 81 -2.083 -0.510 10.394 1.00 0.00 H new ATOM 0 HA LEU A 81 -1.614 -0.446 7.472 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -3.974 0.573 9.062 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -3.499 1.372 7.577 1.00 0.00 H new ATOM 0 HG LEU A 81 -4.078 -1.598 7.702 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -6.327 -1.074 6.838 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -6.071 -0.401 8.466 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -5.995 0.662 7.041 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -4.434 -1.323 5.277 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -4.025 0.403 5.418 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -2.793 -0.834 5.763 1.00 0.00 H new ATOM 1188 N PRO A 82 -0.702 1.982 7.612 1.00 0.00 N ATOM 1189 CA PRO A 82 -0.926 1.608 6.206 1.00 0.00 C ATOM 1190 C PRO A 82 -0.087 0.403 5.765 1.00 0.00 C ATOM 1191 O PRO A 82 0.693 -0.142 6.548 1.00 0.00 O ATOM 1192 CB PRO A 82 -0.505 2.862 5.440 1.00 0.00 C ATOM 1193 CG PRO A 82 0.507 3.522 6.314 1.00 0.00 C ATOM 1194 CD PRO A 82 0.113 3.208 7.731 1.00 0.00 C ATOM 0 HA PRO A 82 -1.957 1.303 6.030 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -0.082 2.608 4.468 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -1.356 3.517 5.256 1.00 0.00 H new ATOM 0 HG2 PRO A 82 1.509 3.150 6.098 1.00 0.00 H new ATOM 0 HG3 PRO A 82 0.523 4.599 6.145 1.00 0.00 H new ATOM 0 HD2 PRO A 82 0.987 3.047 8.362 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -0.456 4.024 8.177 1.00 0.00 H new ATOM 1202 N THR A 83 -0.261 -0.008 4.506 1.00 0.00 N ATOM 1203 CA THR A 83 0.473 -1.152 3.961 1.00 0.00 C ATOM 1204 C THR A 83 0.826 -0.940 2.485 1.00 0.00 C ATOM 1205 O THR A 83 0.163 -0.175 1.781 1.00 0.00 O ATOM 1206 CB THR A 83 -0.358 -2.430 4.126 1.00 0.00 C ATOM 1207 OG1 THR A 83 0.273 -3.534 3.501 1.00 0.00 O ATOM 1208 CG2 THR A 83 -1.755 -2.314 3.554 1.00 0.00 C ATOM 0 H THR A 83 -0.902 0.433 3.847 1.00 0.00 H new ATOM 0 HA THR A 83 1.406 -1.251 4.516 1.00 0.00 H new ATOM 0 HB THR A 83 -0.433 -2.582 5.203 1.00 0.00 H new ATOM 0 HG1 THR A 83 0.806 -4.023 4.162 1.00 0.00 H new ATOM 0 HG21 THR A 83 -2.289 -3.252 3.704 1.00 0.00 H new ATOM 0 HG22 THR A 83 -2.289 -1.508 4.058 1.00 0.00 H new ATOM 0 HG23 THR A 83 -1.695 -2.098 2.487 1.00 0.00 H new ATOM 1216 N ILE A 84 1.875 -1.629 2.022 1.00 0.00 N ATOM 1217 CA ILE A 84 2.319 -1.521 0.634 1.00 0.00 C ATOM 1218 C ILE A 84 2.240 -2.873 -0.082 1.00 0.00 C ATOM 1219 O ILE A 84 2.961 -3.812 0.262 1.00 0.00 O ATOM 1220 CB ILE A 84 3.765 -0.984 0.540 1.00 0.00 C ATOM 1221 CG1 ILE A 84 3.933 0.283 1.389 1.00 0.00 C ATOM 1222 CG2 ILE A 84 4.138 -0.707 -0.911 1.00 0.00 C ATOM 1223 CD1 ILE A 84 4.745 0.067 2.648 1.00 0.00 C ATOM 0 H ILE A 84 2.431 -2.267 2.591 1.00 0.00 H new ATOM 0 HA ILE A 84 1.647 -0.816 0.146 1.00 0.00 H new ATOM 0 HB ILE A 84 4.437 -1.747 0.931 1.00 0.00 H new ATOM 0 HG12 ILE A 84 4.413 1.054 0.785 1.00 0.00 H new ATOM 0 HG13 ILE A 84 2.948 0.660 1.663 1.00 0.00 H new ATOM 0 HG21 ILE A 84 5.159 -0.329 -0.958 1.00 0.00 H new ATOM 0 HG22 ILE A 84 4.065 -1.629 -1.488 1.00 0.00 H new ATOM 0 HG23 ILE A 84 3.457 0.036 -1.326 1.00 0.00 H new ATOM 0 HD11 ILE A 84 4.822 1.006 3.197 1.00 0.00 H new ATOM 0 HD12 ILE A 84 4.256 -0.680 3.273 1.00 0.00 H new ATOM 0 HD13 ILE A 84 5.743 -0.280 2.382 1.00 0.00 H new ATOM 1235 N VAL A 85 1.363 -2.958 -1.085 1.00 0.00 N ATOM 1236 CA VAL A 85 1.185 -4.186 -1.860 1.00 0.00 C ATOM 1237 C VAL A 85 1.913 -4.095 -3.203 1.00 0.00 C ATOM 1238 O VAL A 85 1.602 -3.236 -4.030 1.00 0.00 O ATOM 1239 CB VAL A 85 -0.311 -4.481 -2.113 1.00 0.00 C ATOM 1240 CG1 VAL A 85 -0.497 -5.865 -2.720 1.00 0.00 C ATOM 1241 CG2 VAL A 85 -1.114 -4.342 -0.826 1.00 0.00 C ATOM 0 H VAL A 85 0.763 -2.187 -1.380 1.00 0.00 H new ATOM 0 HA VAL A 85 1.611 -4.999 -1.272 1.00 0.00 H new ATOM 0 HB VAL A 85 -0.684 -3.747 -2.827 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -1.558 -6.049 -2.889 1.00 0.00 H new ATOM 0 HG12 VAL A 85 0.036 -5.921 -3.669 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -0.102 -6.618 -2.037 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -2.164 -4.554 -1.028 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -0.737 -5.046 -0.084 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -1.016 -3.326 -0.444 1.00 0.00 H new ATOM 1251 N VAL A 86 2.881 -4.987 -3.411 1.00 0.00 N ATOM 1252 CA VAL A 86 3.656 -5.010 -4.648 1.00 0.00 C ATOM 1253 C VAL A 86 3.593 -6.386 -5.306 1.00 0.00 C ATOM 1254 O VAL A 86 3.792 -7.407 -4.647 1.00 0.00 O ATOM 1255 CB VAL A 86 5.134 -4.633 -4.398 1.00 0.00 C ATOM 1256 CG1 VAL A 86 5.881 -4.469 -5.715 1.00 0.00 C ATOM 1257 CG2 VAL A 86 5.229 -3.365 -3.561 1.00 0.00 C ATOM 0 H VAL A 86 3.147 -5.704 -2.736 1.00 0.00 H new ATOM 0 HA VAL A 86 3.213 -4.270 -5.315 1.00 0.00 H new ATOM 0 HB VAL A 86 5.604 -5.445 -3.843 1.00 0.00 H new ATOM 0 HG11 VAL A 86 6.919 -4.204 -5.514 1.00 0.00 H new ATOM 0 HG12 VAL A 86 5.847 -5.406 -6.272 1.00 0.00 H new ATOM 0 HG13 VAL A 86 5.412 -3.680 -6.303 1.00 0.00 H new ATOM 0 HG21 VAL A 86 6.277 -3.116 -3.396 1.00 0.00 H new ATOM 0 HG22 VAL A 86 4.740 -2.545 -4.086 1.00 0.00 H new ATOM 0 HG23 VAL A 86 4.738 -3.525 -2.601 1.00 0.00 H new ATOM 1267 N ASN A 87 3.311 -6.402 -6.611 1.00 0.00 N ATOM 1268 CA ASN A 87 3.213 -7.650 -7.369 1.00 0.00 C ATOM 1269 C ASN A 87 2.077 -8.530 -6.842 1.00 0.00 C ATOM 1270 O ASN A 87 2.156 -9.760 -6.897 1.00 0.00 O ATOM 1271 CB ASN A 87 4.544 -8.413 -7.315 1.00 0.00 C ATOM 1272 CG ASN A 87 5.255 -8.435 -8.655 1.00 0.00 C ATOM 1273 OD1 ASN A 87 5.722 -7.405 -9.139 1.00 0.00 O ATOM 1274 ND2 ASN A 87 5.344 -9.614 -9.262 1.00 0.00 N ATOM 0 H ASN A 87 3.146 -5.562 -7.165 1.00 0.00 H new ATOM 0 HA ASN A 87 2.991 -7.397 -8.406 1.00 0.00 H new ATOM 0 HB2 ASN A 87 5.193 -7.953 -6.570 1.00 0.00 H new ATOM 0 HB3 ASN A 87 4.360 -9.436 -6.988 1.00 0.00 H new ATOM 0 HD21 ASN A 87 5.814 -9.689 -10.164 1.00 0.00 H new ATOM 0 HD22 ASN A 87 4.943 -10.444 -8.825 1.00 0.00 H new ATOM 1281 N GLY A 88 1.019 -7.892 -6.333 1.00 0.00 N ATOM 1282 CA GLY A 88 -0.117 -8.628 -5.803 1.00 0.00 C ATOM 1283 C GLY A 88 0.241 -9.451 -4.582 1.00 0.00 C ATOM 1284 O GLY A 88 -0.151 -10.613 -4.472 1.00 0.00 O ATOM 0 H GLY A 88 0.932 -6.877 -6.280 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -0.911 -7.927 -5.544 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -0.512 -9.286 -6.577 1.00 0.00 H new ATOM 1288 N LYS A 89 0.987 -8.846 -3.661 1.00 0.00 N ATOM 1289 CA LYS A 89 1.404 -9.518 -2.440 1.00 0.00 C ATOM 1290 C LYS A 89 2.100 -8.538 -1.499 1.00 0.00 C ATOM 1291 O LYS A 89 2.904 -7.709 -1.931 1.00 0.00 O ATOM 1292 CB LYS A 89 2.334 -10.696 -2.754 1.00 0.00 C ATOM 1293 CG LYS A 89 3.412 -10.376 -3.777 1.00 0.00 C ATOM 1294 CD LYS A 89 4.538 -11.395 -3.744 1.00 0.00 C ATOM 1295 CE LYS A 89 5.760 -10.893 -4.497 1.00 0.00 C ATOM 1296 NZ LYS A 89 5.715 -11.253 -5.942 1.00 0.00 N ATOM 0 H LYS A 89 1.316 -7.884 -3.742 1.00 0.00 H new ATOM 0 HA LYS A 89 0.511 -9.904 -1.948 1.00 0.00 H new ATOM 0 HB2 LYS A 89 2.810 -11.026 -1.831 1.00 0.00 H new ATOM 0 HB3 LYS A 89 1.736 -11.530 -3.120 1.00 0.00 H new ATOM 0 HG2 LYS A 89 2.972 -10.352 -4.774 1.00 0.00 H new ATOM 0 HG3 LYS A 89 3.815 -9.382 -3.582 1.00 0.00 H new ATOM 0 HD2 LYS A 89 4.808 -11.608 -2.710 1.00 0.00 H new ATOM 0 HD3 LYS A 89 4.196 -12.332 -4.184 1.00 0.00 H new ATOM 0 HE2 LYS A 89 5.828 -9.810 -4.396 1.00 0.00 H new ATOM 0 HE3 LYS A 89 6.660 -11.312 -4.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 6.144 -10.490 -6.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 6.243 -12.135 -6.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 4.726 -11.385 -6.236 1.00 0.00 H new ATOM 1310 N PHE A 90 1.777 -8.639 -0.215 1.00 0.00 N ATOM 1311 CA PHE A 90 2.362 -7.767 0.803 1.00 0.00 C ATOM 1312 C PHE A 90 3.884 -7.878 0.805 1.00 0.00 C ATOM 1313 O PHE A 90 4.440 -8.898 1.223 1.00 0.00 O ATOM 1314 CB PHE A 90 1.807 -8.113 2.193 1.00 0.00 C ATOM 1315 CG PHE A 90 2.477 -7.373 3.320 1.00 0.00 C ATOM 1316 CD1 PHE A 90 2.068 -6.096 3.670 1.00 0.00 C ATOM 1317 CD2 PHE A 90 3.515 -7.958 4.030 1.00 0.00 C ATOM 1318 CE1 PHE A 90 2.682 -5.417 4.705 1.00 0.00 C ATOM 1319 CE2 PHE A 90 4.131 -7.283 5.066 1.00 0.00 C ATOM 1320 CZ PHE A 90 3.714 -6.011 5.403 1.00 0.00 C ATOM 0 H PHE A 90 1.110 -9.319 0.150 1.00 0.00 H new ATOM 0 HA PHE A 90 2.091 -6.739 0.562 1.00 0.00 H new ATOM 0 HB2 PHE A 90 0.739 -7.894 2.212 1.00 0.00 H new ATOM 0 HB3 PHE A 90 1.915 -9.185 2.360 1.00 0.00 H new ATOM 0 HD1 PHE A 90 1.261 -5.626 3.128 1.00 0.00 H new ATOM 0 HD2 PHE A 90 3.845 -8.953 3.770 1.00 0.00 H new ATOM 0 HE1 PHE A 90 2.355 -4.422 4.968 1.00 0.00 H new ATOM 0 HE2 PHE A 90 4.938 -7.750 5.612 1.00 0.00 H new ATOM 0 HZ PHE A 90 4.195 -5.481 6.212 1.00 0.00 H new ATOM 1330 N TRP A 91 4.553 -6.830 0.330 1.00 0.00 N ATOM 1331 CA TRP A 91 6.013 -6.819 0.274 1.00 0.00 C ATOM 1332 C TRP A 91 6.610 -5.543 0.882 1.00 0.00 C ATOM 1333 O TRP A 91 7.825 -5.341 0.832 1.00 0.00 O ATOM 1334 CB TRP A 91 6.483 -6.987 -1.172 1.00 0.00 C ATOM 1335 CG TRP A 91 7.004 -8.364 -1.468 1.00 0.00 C ATOM 1336 CD1 TRP A 91 6.302 -9.535 -1.404 1.00 0.00 C ATOM 1337 CD2 TRP A 91 8.335 -8.715 -1.864 1.00 0.00 C ATOM 1338 NE1 TRP A 91 7.116 -10.591 -1.735 1.00 0.00 N ATOM 1339 CE2 TRP A 91 8.367 -10.115 -2.024 1.00 0.00 C ATOM 1340 CE3 TRP A 91 9.504 -7.985 -2.102 1.00 0.00 C ATOM 1341 CZ2 TRP A 91 9.521 -10.795 -2.409 1.00 0.00 C ATOM 1342 CZ3 TRP A 91 10.648 -8.663 -2.484 1.00 0.00 C ATOM 1343 CH2 TRP A 91 10.648 -10.055 -2.634 1.00 0.00 C ATOM 0 H TRP A 91 4.110 -5.981 -0.020 1.00 0.00 H new ATOM 0 HA TRP A 91 6.368 -7.657 0.873 1.00 0.00 H new ATOM 0 HB2 TRP A 91 5.654 -6.767 -1.845 1.00 0.00 H new ATOM 0 HB3 TRP A 91 7.265 -6.257 -1.380 1.00 0.00 H new ATOM 0 HD1 TRP A 91 5.260 -9.618 -1.133 1.00 0.00 H new ATOM 0 HE1 TRP A 91 6.834 -11.571 -1.761 1.00 0.00 H new ATOM 0 HE3 TRP A 91 9.514 -6.911 -1.990 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 9.525 -11.869 -2.525 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 11.556 -8.109 -2.670 1.00 0.00 H new ATOM 0 HH2 TRP A 91 11.557 -10.555 -2.934 1.00 0.00 H new ATOM 1354 N GLY A 92 5.763 -4.685 1.462 1.00 0.00 N ATOM 1355 CA GLY A 92 6.250 -3.458 2.066 1.00 0.00 C ATOM 1356 C GLY A 92 5.447 -3.038 3.278 1.00 0.00 C ATOM 1357 O GLY A 92 4.219 -3.140 3.285 1.00 0.00 O ATOM 0 H GLY A 92 4.754 -4.822 1.522 1.00 0.00 H new ATOM 0 HA2 GLY A 92 7.292 -3.591 2.355 1.00 0.00 H new ATOM 0 HA3 GLY A 92 6.224 -2.659 1.325 1.00 0.00 H new ATOM 1361 N THR A 93 6.147 -2.554 4.303 1.00 0.00 N ATOM 1362 CA THR A 93 5.503 -2.105 5.535 1.00 0.00 C ATOM 1363 C THR A 93 5.984 -0.711 5.929 1.00 0.00 C ATOM 1364 O THR A 93 6.855 -0.131 5.273 1.00 0.00 O ATOM 1365 CB THR A 93 5.782 -3.087 6.683 1.00 0.00 C ATOM 1366 OG1 THR A 93 6.223 -4.343 6.190 1.00 0.00 O ATOM 1367 CG2 THR A 93 4.578 -3.342 7.565 1.00 0.00 C ATOM 0 H THR A 93 7.163 -2.463 4.304 1.00 0.00 H new ATOM 0 HA THR A 93 4.430 -2.067 5.349 1.00 0.00 H new ATOM 0 HB THR A 93 6.557 -2.605 7.279 1.00 0.00 H new ATOM 0 HG1 THR A 93 6.394 -4.948 6.942 1.00 0.00 H new ATOM 0 HG21 THR A 93 4.847 -4.044 8.354 1.00 0.00 H new ATOM 0 HG22 THR A 93 4.249 -2.404 8.011 1.00 0.00 H new ATOM 0 HG23 THR A 93 3.770 -3.762 6.966 1.00 0.00 H new ATOM 1375 N GLU A 94 5.420 -0.182 7.015 1.00 0.00 N ATOM 1376 CA GLU A 94 5.791 1.138 7.515 1.00 0.00 C ATOM 1377 C GLU A 94 7.240 1.145 8.002 1.00 0.00 C ATOM 1378 O GLU A 94 8.004 2.063 7.695 1.00 0.00 O ATOM 1379 CB GLU A 94 4.857 1.558 8.655 1.00 0.00 C ATOM 1380 CG GLU A 94 5.102 2.976 9.155 1.00 0.00 C ATOM 1381 CD GLU A 94 5.008 3.106 10.667 1.00 0.00 C ATOM 1382 OE1 GLU A 94 4.201 2.379 11.284 1.00 0.00 O ATOM 1383 OE2 GLU A 94 5.744 3.941 11.234 1.00 0.00 O ATOM 0 H GLU A 94 4.701 -0.651 7.566 1.00 0.00 H new ATOM 0 HA GLU A 94 5.695 1.850 6.696 1.00 0.00 H new ATOM 0 HB2 GLU A 94 3.824 1.475 8.316 1.00 0.00 H new ATOM 0 HB3 GLU A 94 4.977 0.863 9.486 1.00 0.00 H new ATOM 0 HG2 GLU A 94 6.090 3.303 8.830 1.00 0.00 H new ATOM 0 HG3 GLU A 94 4.377 3.647 8.694 1.00 0.00 H new ATOM 1390 N SER A 95 7.610 0.112 8.764 1.00 0.00 N ATOM 1391 CA SER A 95 8.967 -0.008 9.298 1.00 0.00 C ATOM 1392 C SER A 95 9.995 -0.123 8.178 1.00 0.00 C ATOM 1393 O SER A 95 11.091 0.426 8.278 1.00 0.00 O ATOM 1394 CB SER A 95 9.078 -1.222 10.230 1.00 0.00 C ATOM 1395 OG SER A 95 10.003 -0.981 11.277 1.00 0.00 O ATOM 0 H SER A 95 6.988 -0.653 9.024 1.00 0.00 H new ATOM 0 HA SER A 95 9.176 0.898 9.867 1.00 0.00 H new ATOM 0 HB2 SER A 95 8.099 -1.451 10.651 1.00 0.00 H new ATOM 0 HB3 SER A 95 9.391 -2.095 9.658 1.00 0.00 H new ATOM 0 HG SER A 95 10.053 -1.769 11.857 1.00 0.00 H new ATOM 1401 N GLN A 96 9.636 -0.834 7.107 1.00 0.00 N ATOM 1402 CA GLN A 96 10.537 -1.008 5.971 1.00 0.00 C ATOM 1403 C GLN A 96 10.989 0.341 5.411 1.00 0.00 C ATOM 1404 O GLN A 96 12.127 0.483 4.961 1.00 0.00 O ATOM 1405 CB GLN A 96 9.856 -1.819 4.867 1.00 0.00 C ATOM 1406 CG GLN A 96 10.818 -2.315 3.800 1.00 0.00 C ATOM 1407 CD GLN A 96 10.476 -3.706 3.305 1.00 0.00 C ATOM 1408 OE1 GLN A 96 10.659 -4.692 4.018 1.00 0.00 O ATOM 1409 NE2 GLN A 96 9.977 -3.793 2.076 1.00 0.00 N ATOM 0 H GLN A 96 8.732 -1.296 7.005 1.00 0.00 H new ATOM 0 HA GLN A 96 11.415 -1.548 6.326 1.00 0.00 H new ATOM 0 HB2 GLN A 96 9.350 -2.674 5.315 1.00 0.00 H new ATOM 0 HB3 GLN A 96 9.089 -1.205 4.396 1.00 0.00 H new ATOM 0 HG2 GLN A 96 10.810 -1.622 2.959 1.00 0.00 H new ATOM 0 HG3 GLN A 96 11.831 -2.316 4.202 1.00 0.00 H new ATOM 0 HE21 GLN A 96 9.842 -2.949 1.520 1.00 0.00 H new ATOM 0 HE22 GLN A 96 9.729 -4.704 1.689 1.00 0.00 H new ATOM 1418 N LEU A 97 10.095 1.330 5.444 1.00 0.00 N ATOM 1419 CA LEU A 97 10.414 2.665 4.939 1.00 0.00 C ATOM 1420 C LEU A 97 11.485 3.326 5.800 1.00 0.00 C ATOM 1421 O LEU A 97 12.515 3.768 5.291 1.00 0.00 O ATOM 1422 CB LEU A 97 9.158 3.545 4.891 1.00 0.00 C ATOM 1423 CG LEU A 97 7.923 2.899 4.250 1.00 0.00 C ATOM 1424 CD1 LEU A 97 6.706 3.803 4.407 1.00 0.00 C ATOM 1425 CD2 LEU A 97 8.181 2.592 2.780 1.00 0.00 C ATOM 0 H LEU A 97 9.149 1.232 5.813 1.00 0.00 H new ATOM 0 HA LEU A 97 10.800 2.556 3.925 1.00 0.00 H new ATOM 0 HB2 LEU A 97 8.904 3.842 5.909 1.00 0.00 H new ATOM 0 HB3 LEU A 97 9.395 4.457 4.343 1.00 0.00 H new ATOM 0 HG LEU A 97 7.720 1.959 4.763 1.00 0.00 H new ATOM 0 HD11 LEU A 97 5.839 3.329 3.947 1.00 0.00 H new ATOM 0 HD12 LEU A 97 6.510 3.968 5.466 1.00 0.00 H new ATOM 0 HD13 LEU A 97 6.898 4.759 3.920 1.00 0.00 H new ATOM 0 HD21 LEU A 97 7.294 2.134 2.343 1.00 0.00 H new ATOM 0 HD22 LEU A 97 8.411 3.516 2.250 1.00 0.00 H new ATOM 0 HD23 LEU A 97 9.023 1.905 2.694 1.00 0.00 H new ATOM 1437 N HIS A 98 11.240 3.382 7.109 1.00 0.00 N ATOM 1438 CA HIS A 98 12.188 3.984 8.041 1.00 0.00 C ATOM 1439 C HIS A 98 13.497 3.190 8.087 1.00 0.00 C ATOM 1440 O HIS A 98 14.572 3.772 8.229 1.00 0.00 O ATOM 1441 CB HIS A 98 11.577 4.063 9.444 1.00 0.00 C ATOM 1442 CG HIS A 98 10.735 5.284 9.675 1.00 0.00 C ATOM 1443 ND1 HIS A 98 10.906 6.123 10.757 1.00 0.00 N ATOM 1444 CD2 HIS A 98 9.704 5.798 8.962 1.00 0.00 C ATOM 1445 CE1 HIS A 98 10.016 7.099 10.701 1.00 0.00 C ATOM 1446 NE2 HIS A 98 9.276 6.926 9.621 1.00 0.00 N ATOM 0 H HIS A 98 10.393 3.018 7.546 1.00 0.00 H new ATOM 0 HA HIS A 98 12.410 4.992 7.689 1.00 0.00 H new ATOM 0 HB2 HIS A 98 10.967 3.176 9.614 1.00 0.00 H new ATOM 0 HB3 HIS A 98 12.380 4.043 10.181 1.00 0.00 H new ATOM 0 HD2 HIS A 98 9.295 5.396 8.047 1.00 0.00 H new ATOM 0 HE1 HIS A 98 9.912 7.901 11.417 1.00 0.00 H new ATOM 0 HE2 HIS A 98 8.511 7.531 9.324 1.00 0.00 H new ATOM 1455 N ARG A 99 13.398 1.864 7.972 1.00 0.00 N ATOM 1456 CA ARG A 99 14.575 0.996 8.007 1.00 0.00 C ATOM 1457 C ARG A 99 15.444 1.167 6.759 1.00 0.00 C ATOM 1458 O ARG A 99 16.672 1.191 6.851 1.00 0.00 O ATOM 1459 CB ARG A 99 14.152 -0.469 8.151 1.00 0.00 C ATOM 1460 CG ARG A 99 13.851 -0.883 9.586 1.00 0.00 C ATOM 1461 CD ARG A 99 13.275 -2.291 9.664 1.00 0.00 C ATOM 1462 NE ARG A 99 14.187 -3.298 9.118 1.00 0.00 N ATOM 1463 CZ ARG A 99 13.973 -4.616 9.186 1.00 0.00 C ATOM 1464 NH1 ARG A 99 12.887 -5.093 9.792 1.00 0.00 N ATOM 1465 NH2 ARG A 99 14.845 -5.460 8.650 1.00 0.00 N ATOM 0 H ARG A 99 12.514 1.369 7.854 1.00 0.00 H new ATOM 0 HA ARG A 99 15.170 1.288 8.872 1.00 0.00 H new ATOM 0 HB2 ARG A 99 13.267 -0.644 7.539 1.00 0.00 H new ATOM 0 HB3 ARG A 99 14.943 -1.107 7.757 1.00 0.00 H new ATOM 0 HG2 ARG A 99 14.765 -0.832 10.178 1.00 0.00 H new ATOM 0 HG3 ARG A 99 13.146 -0.178 10.027 1.00 0.00 H new ATOM 0 HD2 ARG A 99 13.052 -2.532 10.703 1.00 0.00 H new ATOM 0 HD3 ARG A 99 12.332 -2.325 9.119 1.00 0.00 H new ATOM 0 HE ARG A 99 15.038 -2.974 8.658 1.00 0.00 H new ATOM 0 HH11 ARG A 99 12.212 -4.451 10.208 1.00 0.00 H new ATOM 0 HH12 ARG A 99 12.730 -6.100 9.840 1.00 0.00 H new ATOM 0 HH21 ARG A 99 15.680 -5.104 8.185 1.00 0.00 H new ATOM 0 HH22 ARG A 99 14.680 -6.465 8.703 1.00 0.00 H new ATOM 1479 N PHE A 100 14.804 1.276 5.597 1.00 0.00 N ATOM 1480 CA PHE A 100 15.531 1.436 4.336 1.00 0.00 C ATOM 1481 C PHE A 100 16.051 2.863 4.166 1.00 0.00 C ATOM 1482 O PHE A 100 17.206 3.065 3.788 1.00 0.00 O ATOM 1483 CB PHE A 100 14.640 1.065 3.146 1.00 0.00 C ATOM 1484 CG PHE A 100 14.703 -0.392 2.777 1.00 0.00 C ATOM 1485 CD1 PHE A 100 14.219 -1.362 3.641 1.00 0.00 C ATOM 1486 CD2 PHE A 100 15.245 -0.790 1.565 1.00 0.00 C ATOM 1487 CE1 PHE A 100 14.277 -2.701 3.303 1.00 0.00 C ATOM 1488 CE2 PHE A 100 15.305 -2.126 1.223 1.00 0.00 C ATOM 1489 CZ PHE A 100 14.821 -3.083 2.092 1.00 0.00 C ATOM 0 H PHE A 100 13.789 1.257 5.500 1.00 0.00 H new ATOM 0 HA PHE A 100 16.386 0.761 4.367 1.00 0.00 H new ATOM 0 HB2 PHE A 100 13.608 1.328 3.380 1.00 0.00 H new ATOM 0 HB3 PHE A 100 14.933 1.663 2.283 1.00 0.00 H new ATOM 0 HD1 PHE A 100 13.792 -1.068 4.589 1.00 0.00 H new ATOM 0 HD2 PHE A 100 15.625 -0.046 0.880 1.00 0.00 H new ATOM 0 HE1 PHE A 100 13.897 -3.448 3.985 1.00 0.00 H new ATOM 0 HE2 PHE A 100 15.731 -2.422 0.276 1.00 0.00 H new ATOM 0 HZ PHE A 100 14.868 -4.129 1.826 1.00 0.00 H new ATOM 1499 N GLU A 101 15.193 3.849 4.441 1.00 0.00 N ATOM 1500 CA GLU A 101 15.575 5.257 4.311 1.00 0.00 C ATOM 1501 C GLU A 101 16.714 5.607 5.266 1.00 0.00 C ATOM 1502 O GLU A 101 17.663 6.295 4.887 1.00 0.00 O ATOM 1503 CB GLU A 101 14.374 6.174 4.574 1.00 0.00 C ATOM 1504 CG GLU A 101 14.342 7.408 3.680 1.00 0.00 C ATOM 1505 CD GLU A 101 13.084 8.240 3.864 1.00 0.00 C ATOM 1506 OE1 GLU A 101 11.980 7.656 3.888 1.00 0.00 O ATOM 1507 OE2 GLU A 101 13.204 9.479 3.979 1.00 0.00 O ATOM 0 H GLU A 101 14.234 3.699 4.754 1.00 0.00 H new ATOM 0 HA GLU A 101 15.919 5.412 3.288 1.00 0.00 H new ATOM 0 HB2 GLU A 101 13.455 5.606 4.428 1.00 0.00 H new ATOM 0 HB3 GLU A 101 14.391 6.491 5.617 1.00 0.00 H new ATOM 0 HG2 GLU A 101 15.214 8.026 3.892 1.00 0.00 H new ATOM 0 HG3 GLU A 101 14.417 7.097 2.638 1.00 0.00 H new ATOM 1514 N ALA A 102 16.612 5.122 6.501 1.00 0.00 N ATOM 1515 CA ALA A 102 17.632 5.374 7.518 1.00 0.00 C ATOM 1516 C ALA A 102 18.980 4.783 7.106 1.00 0.00 C ATOM 1517 O ALA A 102 20.016 5.430 7.251 1.00 0.00 O ATOM 1518 CB ALA A 102 17.195 4.810 8.863 1.00 0.00 C ATOM 0 H ALA A 102 15.831 4.550 6.823 1.00 0.00 H new ATOM 0 HA ALA A 102 17.751 6.453 7.613 1.00 0.00 H new ATOM 0 HB1 ALA A 102 17.966 5.007 9.608 1.00 0.00 H new ATOM 0 HB2 ALA A 102 16.263 5.285 9.171 1.00 0.00 H new ATOM 0 HB3 ALA A 102 17.042 3.734 8.774 1.00 0.00 H new ATOM 1524 N LYS A 103 18.957 3.553 6.589 1.00 0.00 N ATOM 1525 CA LYS A 103 20.175 2.879 6.155 1.00 0.00 C ATOM 1526 C LYS A 103 20.709 3.476 4.853 1.00 0.00 C ATOM 1527 O LYS A 103 21.911 3.429 4.589 1.00 0.00 O ATOM 1528 CB LYS A 103 19.908 1.388 5.964 1.00 0.00 C ATOM 1529 CG LYS A 103 19.796 0.614 7.267 1.00 0.00 C ATOM 1530 CD LYS A 103 20.063 -0.867 7.055 1.00 0.00 C ATOM 1531 CE LYS A 103 18.785 -1.618 6.720 1.00 0.00 C ATOM 1532 NZ LYS A 103 19.047 -3.048 6.401 1.00 0.00 N ATOM 0 H LYS A 103 18.106 3.006 6.462 1.00 0.00 H new ATOM 0 HA LYS A 103 20.929 3.020 6.930 1.00 0.00 H new ATOM 0 HB2 LYS A 103 18.985 1.263 5.397 1.00 0.00 H new ATOM 0 HB3 LYS A 103 20.711 0.958 5.365 1.00 0.00 H new ATOM 0 HG2 LYS A 103 20.506 1.013 7.992 1.00 0.00 H new ATOM 0 HG3 LYS A 103 18.800 0.749 7.688 1.00 0.00 H new ATOM 0 HD2 LYS A 103 20.785 -0.996 6.249 1.00 0.00 H new ATOM 0 HD3 LYS A 103 20.510 -1.290 7.954 1.00 0.00 H new ATOM 0 HE2 LYS A 103 18.096 -1.555 7.562 1.00 0.00 H new ATOM 0 HE3 LYS A 103 18.296 -1.141 5.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 18.150 -3.524 6.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 19.684 -3.110 5.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 19.490 -3.511 7.220 1.00 0.00 H new ATOM 1546 N GLY A 104 19.807 4.025 4.036 1.00 0.00 N ATOM 1547 CA GLY A 104 20.205 4.610 2.767 1.00 0.00 C ATOM 1548 C GLY A 104 20.139 3.615 1.620 1.00 0.00 C ATOM 1549 O GLY A 104 20.883 3.737 0.646 1.00 0.00 O ATOM 0 H GLY A 104 18.807 4.074 4.233 1.00 0.00 H new ATOM 0 HA2 GLY A 104 19.559 5.460 2.544 1.00 0.00 H new ATOM 0 HA3 GLY A 104 21.221 4.995 2.851 1.00 0.00 H new ATOM 1553 N THR A 105 19.246 2.627 1.739 1.00 0.00 N ATOM 1554 CA THR A 105 19.084 1.602 0.702 1.00 0.00 C ATOM 1555 C THR A 105 17.699 1.677 0.041 1.00 0.00 C ATOM 1556 O THR A 105 17.300 0.755 -0.675 1.00 0.00 O ATOM 1557 CB THR A 105 19.311 0.204 1.296 1.00 0.00 C ATOM 1558 OG1 THR A 105 18.247 -0.169 2.158 1.00 0.00 O ATOM 1559 CG2 THR A 105 20.600 0.093 2.085 1.00 0.00 C ATOM 0 H THR A 105 18.626 2.515 2.541 1.00 0.00 H new ATOM 0 HA THR A 105 19.831 1.791 -0.069 1.00 0.00 H new ATOM 0 HB THR A 105 19.365 -0.463 0.435 1.00 0.00 H new ATOM 0 HG1 THR A 105 17.462 -0.409 1.623 1.00 0.00 H new ATOM 0 HG21 THR A 105 20.700 -0.919 2.478 1.00 0.00 H new ATOM 0 HG22 THR A 105 21.445 0.315 1.434 1.00 0.00 H new ATOM 0 HG23 THR A 105 20.583 0.803 2.912 1.00 0.00 H new ATOM 1567 N LEU A 106 16.972 2.775 0.273 1.00 0.00 N ATOM 1568 CA LEU A 106 15.643 2.955 -0.310 1.00 0.00 C ATOM 1569 C LEU A 106 15.733 3.187 -1.819 1.00 0.00 C ATOM 1570 O LEU A 106 15.061 2.510 -2.597 1.00 0.00 O ATOM 1571 CB LEU A 106 14.915 4.127 0.360 1.00 0.00 C ATOM 1572 CG LEU A 106 13.393 3.974 0.465 1.00 0.00 C ATOM 1573 CD1 LEU A 106 12.967 3.806 1.917 1.00 0.00 C ATOM 1574 CD2 LEU A 106 12.690 5.168 -0.162 1.00 0.00 C ATOM 0 H LEU A 106 17.283 3.550 0.859 1.00 0.00 H new ATOM 0 HA LEU A 106 15.075 2.041 -0.136 1.00 0.00 H new ATOM 0 HB2 LEU A 106 15.321 4.261 1.363 1.00 0.00 H new ATOM 0 HB3 LEU A 106 15.135 5.037 -0.197 1.00 0.00 H new ATOM 0 HG LEU A 106 13.103 3.077 -0.083 1.00 0.00 H new ATOM 0 HD11 LEU A 106 11.883 3.699 1.968 1.00 0.00 H new ATOM 0 HD12 LEU A 106 13.439 2.917 2.334 1.00 0.00 H new ATOM 0 HD13 LEU A 106 13.273 4.682 2.490 1.00 0.00 H new ATOM 0 HD21 LEU A 106 11.611 5.040 -0.077 1.00 0.00 H new ATOM 0 HD22 LEU A 106 12.989 6.079 0.355 1.00 0.00 H new ATOM 0 HD23 LEU A 106 12.965 5.241 -1.214 1.00 0.00 H new ATOM 1586 N GLU A 107 16.566 4.146 -2.226 1.00 0.00 N ATOM 1587 CA GLU A 107 16.743 4.467 -3.641 1.00 0.00 C ATOM 1588 C GLU A 107 17.303 3.273 -4.421 1.00 0.00 C ATOM 1589 O GLU A 107 16.834 2.967 -5.517 1.00 0.00 O ATOM 1590 CB GLU A 107 17.668 5.677 -3.803 1.00 0.00 C ATOM 1591 CG GLU A 107 16.945 7.010 -3.679 1.00 0.00 C ATOM 1592 CD GLU A 107 17.888 8.169 -3.415 1.00 0.00 C ATOM 1593 OE1 GLU A 107 18.360 8.300 -2.268 1.00 0.00 O ATOM 1594 OE2 GLU A 107 18.149 8.948 -4.357 1.00 0.00 O ATOM 0 H GLU A 107 17.129 4.714 -1.593 1.00 0.00 H new ATOM 0 HA GLU A 107 15.762 4.709 -4.050 1.00 0.00 H new ATOM 0 HB2 GLU A 107 18.455 5.627 -3.050 1.00 0.00 H new ATOM 0 HB3 GLU A 107 18.155 5.625 -4.777 1.00 0.00 H new ATOM 0 HG2 GLU A 107 16.388 7.203 -4.596 1.00 0.00 H new ATOM 0 HG3 GLU A 107 16.217 6.949 -2.870 1.00 0.00 H new ATOM 1601 N GLU A 108 18.308 2.605 -3.851 1.00 0.00 N ATOM 1602 CA GLU A 108 18.925 1.451 -4.502 1.00 0.00 C ATOM 1603 C GLU A 108 17.919 0.318 -4.680 1.00 0.00 C ATOM 1604 O GLU A 108 17.770 -0.219 -5.779 1.00 0.00 O ATOM 1605 CB GLU A 108 20.142 0.965 -3.704 1.00 0.00 C ATOM 1606 CG GLU A 108 21.125 0.145 -4.528 1.00 0.00 C ATOM 1607 CD GLU A 108 22.070 1.002 -5.349 1.00 0.00 C ATOM 1608 OE1 GLU A 108 21.595 1.938 -6.027 1.00 0.00 O ATOM 1609 OE2 GLU A 108 23.291 0.739 -5.315 1.00 0.00 O ATOM 0 H GLU A 108 18.709 2.843 -2.944 1.00 0.00 H new ATOM 0 HA GLU A 108 19.261 1.765 -5.490 1.00 0.00 H new ATOM 0 HB2 GLU A 108 20.661 1.828 -3.288 1.00 0.00 H new ATOM 0 HB3 GLU A 108 19.797 0.365 -2.862 1.00 0.00 H new ATOM 0 HG2 GLU A 108 21.707 -0.491 -3.861 1.00 0.00 H new ATOM 0 HG3 GLU A 108 20.570 -0.515 -5.195 1.00 0.00 H new ATOM 1616 N GLU A 109 17.225 -0.042 -3.600 1.00 0.00 N ATOM 1617 CA GLU A 109 16.229 -1.111 -3.650 1.00 0.00 C ATOM 1618 C GLU A 109 15.082 -0.754 -4.596 1.00 0.00 C ATOM 1619 O GLU A 109 14.565 -1.618 -5.303 1.00 0.00 O ATOM 1620 CB GLU A 109 15.674 -1.401 -2.253 1.00 0.00 C ATOM 1621 CG GLU A 109 15.153 -2.825 -2.085 1.00 0.00 C ATOM 1622 CD GLU A 109 16.250 -3.841 -1.806 1.00 0.00 C ATOM 1623 OE1 GLU A 109 17.271 -3.468 -1.190 1.00 0.00 O ATOM 1624 OE2 GLU A 109 16.086 -5.014 -2.202 1.00 0.00 O ATOM 0 H GLU A 109 17.334 0.390 -2.682 1.00 0.00 H new ATOM 0 HA GLU A 109 16.726 -2.004 -4.028 1.00 0.00 H new ATOM 0 HB2 GLU A 109 16.456 -1.220 -1.516 1.00 0.00 H new ATOM 0 HB3 GLU A 109 14.867 -0.700 -2.039 1.00 0.00 H new ATOM 0 HG2 GLU A 109 14.432 -2.846 -1.268 1.00 0.00 H new ATOM 0 HG3 GLU A 109 14.619 -3.117 -2.989 1.00 0.00 H new ATOM 1631 N LEU A 110 14.690 0.524 -4.603 1.00 0.00 N ATOM 1632 CA LEU A 110 13.604 0.997 -5.462 1.00 0.00 C ATOM 1633 C LEU A 110 13.880 0.667 -6.930 1.00 0.00 C ATOM 1634 O LEU A 110 13.000 0.170 -7.637 1.00 0.00 O ATOM 1635 CB LEU A 110 13.407 2.509 -5.295 1.00 0.00 C ATOM 1636 CG LEU A 110 12.437 2.928 -4.185 1.00 0.00 C ATOM 1637 CD1 LEU A 110 12.604 4.406 -3.860 1.00 0.00 C ATOM 1638 CD2 LEU A 110 11.000 2.628 -4.588 1.00 0.00 C ATOM 0 H LEU A 110 15.110 1.249 -4.022 1.00 0.00 H new ATOM 0 HA LEU A 110 12.691 0.484 -5.159 1.00 0.00 H new ATOM 0 HB2 LEU A 110 14.377 2.965 -5.097 1.00 0.00 H new ATOM 0 HB3 LEU A 110 13.049 2.918 -6.240 1.00 0.00 H new ATOM 0 HG LEU A 110 12.669 2.351 -3.290 1.00 0.00 H new ATOM 0 HD11 LEU A 110 11.907 4.686 -3.070 1.00 0.00 H new ATOM 0 HD12 LEU A 110 13.625 4.592 -3.526 1.00 0.00 H new ATOM 0 HD13 LEU A 110 12.400 5.000 -4.751 1.00 0.00 H new ATOM 0 HD21 LEU A 110 10.326 2.933 -3.787 1.00 0.00 H new ATOM 0 HD22 LEU A 110 10.755 3.177 -5.497 1.00 0.00 H new ATOM 0 HD23 LEU A 110 10.889 1.559 -4.769 1.00 0.00 H new ATOM 1650 N THR A 111 15.106 0.940 -7.381 1.00 0.00 N ATOM 1651 CA THR A 111 15.497 0.662 -8.764 1.00 0.00 C ATOM 1652 C THR A 111 15.480 -0.846 -9.045 1.00 0.00 C ATOM 1653 O THR A 111 15.193 -1.270 -10.165 1.00 0.00 O ATOM 1654 CB THR A 111 16.885 1.242 -9.058 1.00 0.00 C ATOM 1655 OG1 THR A 111 16.949 2.609 -8.687 1.00 0.00 O ATOM 1656 CG2 THR A 111 17.278 1.148 -10.518 1.00 0.00 C ATOM 0 H THR A 111 15.844 1.352 -6.810 1.00 0.00 H new ATOM 0 HA THR A 111 14.772 1.141 -9.422 1.00 0.00 H new ATOM 0 HB THR A 111 17.577 0.639 -8.470 1.00 0.00 H new ATOM 0 HG1 THR A 111 16.990 2.681 -7.711 1.00 0.00 H new ATOM 0 HG21 THR A 111 18.271 1.576 -10.656 1.00 0.00 H new ATOM 0 HG22 THR A 111 17.288 0.102 -10.825 1.00 0.00 H new ATOM 0 HG23 THR A 111 16.558 1.698 -11.125 1.00 0.00 H new ATOM 1664 N LYS A 112 15.775 -1.650 -8.016 1.00 0.00 N ATOM 1665 CA LYS A 112 15.776 -3.106 -8.146 1.00 0.00 C ATOM 1666 C LYS A 112 14.377 -3.627 -8.490 1.00 0.00 C ATOM 1667 O LYS A 112 14.237 -4.643 -9.174 1.00 0.00 O ATOM 1668 CB LYS A 112 16.258 -3.745 -6.838 1.00 0.00 C ATOM 1669 CG LYS A 112 17.244 -4.886 -7.032 1.00 0.00 C ATOM 1670 CD LYS A 112 16.538 -6.216 -7.258 1.00 0.00 C ATOM 1671 CE LYS A 112 17.432 -7.200 -7.997 1.00 0.00 C ATOM 1672 NZ LYS A 112 16.712 -7.889 -9.106 1.00 0.00 N ATOM 0 H LYS A 112 16.016 -1.313 -7.084 1.00 0.00 H new ATOM 0 HA LYS A 112 16.453 -3.376 -8.956 1.00 0.00 H new ATOM 0 HB2 LYS A 112 16.724 -2.977 -6.221 1.00 0.00 H new ATOM 0 HB3 LYS A 112 15.394 -4.115 -6.287 1.00 0.00 H new ATOM 0 HG2 LYS A 112 17.888 -4.668 -7.884 1.00 0.00 H new ATOM 0 HG3 LYS A 112 17.888 -4.962 -6.156 1.00 0.00 H new ATOM 0 HD2 LYS A 112 16.242 -6.640 -6.299 1.00 0.00 H new ATOM 0 HD3 LYS A 112 15.624 -6.052 -7.829 1.00 0.00 H new ATOM 0 HE2 LYS A 112 18.296 -6.672 -8.400 1.00 0.00 H new ATOM 0 HE3 LYS A 112 17.811 -7.943 -7.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 17.359 -8.550 -9.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 15.902 -8.415 -8.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 16.372 -7.184 -9.791 1.00 0.00 H new ATOM 1686 N ILE A 113 13.348 -2.924 -8.012 1.00 0.00 N ATOM 1687 CA ILE A 113 11.961 -3.315 -8.270 1.00 0.00 C ATOM 1688 C ILE A 113 11.476 -2.802 -9.627 1.00 0.00 C ATOM 1689 O ILE A 113 10.592 -3.403 -10.242 1.00 0.00 O ATOM 1690 CB ILE A 113 10.987 -2.803 -7.178 1.00 0.00 C ATOM 1691 CG1 ILE A 113 11.715 -2.531 -5.853 1.00 0.00 C ATOM 1692 CG2 ILE A 113 9.865 -3.810 -6.971 1.00 0.00 C ATOM 1693 CD1 ILE A 113 10.787 -2.152 -4.717 1.00 0.00 C ATOM 0 H ILE A 113 13.449 -2.082 -7.445 1.00 0.00 H new ATOM 0 HA ILE A 113 11.959 -4.405 -8.262 1.00 0.00 H new ATOM 0 HB ILE A 113 10.564 -1.858 -7.519 1.00 0.00 H new ATOM 0 HG12 ILE A 113 12.279 -3.419 -5.569 1.00 0.00 H new ATOM 0 HG13 ILE A 113 12.438 -1.729 -6.003 1.00 0.00 H new ATOM 0 HG21 ILE A 113 9.185 -3.444 -6.202 1.00 0.00 H new ATOM 0 HG22 ILE A 113 9.319 -3.944 -7.905 1.00 0.00 H new ATOM 0 HG23 ILE A 113 10.286 -4.765 -6.657 1.00 0.00 H new ATOM 0 HD11 ILE A 113 11.371 -1.975 -3.814 1.00 0.00 H new ATOM 0 HD12 ILE A 113 10.241 -1.246 -4.980 1.00 0.00 H new ATOM 0 HD13 ILE A 113 10.080 -2.962 -4.539 1.00 0.00 H new ATOM 1705 N GLY A 114 12.049 -1.690 -10.089 1.00 0.00 N ATOM 1706 CA GLY A 114 11.652 -1.118 -11.366 1.00 0.00 C ATOM 1707 C GLY A 114 10.853 0.168 -11.220 1.00 0.00 C ATOM 1708 O GLY A 114 10.126 0.556 -12.138 1.00 0.00 O ATOM 0 H GLY A 114 12.782 -1.175 -9.600 1.00 0.00 H new ATOM 0 HA2 GLY A 114 12.543 -0.920 -11.961 1.00 0.00 H new ATOM 0 HA3 GLY A 114 11.057 -1.848 -11.915 1.00 0.00 H new ATOM 1712 N LEU A 115 10.986 0.833 -10.070 1.00 0.00 N ATOM 1713 CA LEU A 115 10.273 2.083 -9.816 1.00 0.00 C ATOM 1714 C LEU A 115 11.135 3.289 -10.202 1.00 0.00 C ATOM 1715 O LEU A 115 10.659 4.212 -10.865 1.00 0.00 O ATOM 1716 CB LEU A 115 9.865 2.174 -8.341 1.00 0.00 C ATOM 1717 CG LEU A 115 8.484 2.781 -8.082 1.00 0.00 C ATOM 1718 CD1 LEU A 115 7.852 2.164 -6.843 1.00 0.00 C ATOM 1719 CD2 LEU A 115 8.583 4.294 -7.942 1.00 0.00 C ATOM 0 H LEU A 115 11.581 0.525 -9.301 1.00 0.00 H new ATOM 0 HA LEU A 115 9.373 2.093 -10.431 1.00 0.00 H new ATOM 0 HB2 LEU A 115 9.890 1.173 -7.911 1.00 0.00 H new ATOM 0 HB3 LEU A 115 10.610 2.767 -7.811 1.00 0.00 H new ATOM 0 HG LEU A 115 7.844 2.559 -8.936 1.00 0.00 H new ATOM 0 HD11 LEU A 115 6.871 2.608 -6.675 1.00 0.00 H new ATOM 0 HD12 LEU A 115 7.744 1.089 -6.987 1.00 0.00 H new ATOM 0 HD13 LEU A 115 8.488 2.352 -5.978 1.00 0.00 H new ATOM 0 HD21 LEU A 115 7.592 4.708 -7.758 1.00 0.00 H new ATOM 0 HD22 LEU A 115 9.239 4.540 -7.107 1.00 0.00 H new ATOM 0 HD23 LEU A 115 8.989 4.719 -8.860 1.00 0.00 H new ATOM 1731 N LEU A 116 12.403 3.269 -9.786 1.00 0.00 N ATOM 1732 CA LEU A 116 13.337 4.354 -10.092 1.00 0.00 C ATOM 1733 C LEU A 116 14.125 4.050 -11.371 1.00 0.00 C ATOM 1734 O LEU A 116 14.217 2.894 -11.791 1.00 0.00 O ATOM 1735 CB LEU A 116 14.303 4.567 -8.921 1.00 0.00 C ATOM 1736 CG LEU A 116 13.789 5.484 -7.808 1.00 0.00 C ATOM 1737 CD1 LEU A 116 14.724 5.438 -6.605 1.00 0.00 C ATOM 1738 CD2 LEU A 116 13.642 6.913 -8.313 1.00 0.00 C ATOM 0 H LEU A 116 12.807 2.512 -9.235 1.00 0.00 H new ATOM 0 HA LEU A 116 12.760 5.266 -10.250 1.00 0.00 H new ATOM 0 HB2 LEU A 116 14.542 3.596 -8.488 1.00 0.00 H new ATOM 0 HB3 LEU A 116 15.233 4.981 -9.310 1.00 0.00 H new ATOM 0 HG LEU A 116 12.807 5.128 -7.498 1.00 0.00 H new ATOM 0 HD11 LEU A 116 14.344 6.096 -5.823 1.00 0.00 H new ATOM 0 HD12 LEU A 116 14.779 4.418 -6.226 1.00 0.00 H new ATOM 0 HD13 LEU A 116 15.719 5.768 -6.904 1.00 0.00 H new ATOM 0 HD21 LEU A 116 13.276 7.548 -7.506 1.00 0.00 H new ATOM 0 HD22 LEU A 116 14.610 7.280 -8.653 1.00 0.00 H new ATOM 0 HD23 LEU A 116 12.935 6.935 -9.142 1.00 0.00 H new ATOM 1750 N PRO A 117 14.709 5.087 -12.006 1.00 0.00 N ATOM 1751 CA PRO A 117 15.493 4.920 -13.239 1.00 0.00 C ATOM 1752 C PRO A 117 16.794 4.153 -13.004 1.00 0.00 C ATOM 1753 O PRO A 117 17.522 4.494 -12.046 1.00 0.00 O ATOM 1754 CB PRO A 117 15.782 6.360 -13.678 1.00 0.00 C ATOM 1755 CG PRO A 117 15.693 7.166 -12.429 1.00 0.00 C ATOM 1756 CD PRO A 117 14.654 6.497 -11.572 1.00 0.00 C ATOM 1757 OXT PRO A 117 17.072 3.213 -13.777 1.00 0.00 O ATOM 0 HA PRO A 117 14.956 4.336 -13.987 1.00 0.00 H new ATOM 0 HB2 PRO A 117 16.769 6.444 -14.133 1.00 0.00 H new ATOM 0 HB3 PRO A 117 15.059 6.700 -14.420 1.00 0.00 H new ATOM 0 HG2 PRO A 117 16.655 7.201 -11.918 1.00 0.00 H new ATOM 0 HG3 PRO A 117 15.412 8.196 -12.649 1.00 0.00 H new ATOM 0 HD2 PRO A 117 14.881 6.600 -10.511 1.00 0.00 H new ATOM 0 HD3 PRO A 117 13.665 6.928 -11.729 1.00 0.00 H new