USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 522 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 31 GLN :FLIP amide:sc= -6.5! C(o=-9.2!,f=-6.2!) USER MOD Set 1.2: A 41 GLN : amide:sc= 0.319 K(o=-6.2,f=-12!) USER MOD Single : A 1 MET CE :methyl -139:sc= -0.284 (180deg=-1.13) USER MOD Single : A 1 MET N :NH3+ 148:sc= -0.0699 (180deg=-0.654) USER MOD Single : A 2 GLN : amide:sc= -1.21 K(o=-1.2,f=-5.3!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot -161:sc= -0.604 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -0.53 X(o=-0.53,f=-0.037) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN :FLIP amide:sc= -1.16 F(o=-3.1!,f=-1.2) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc=-0.00874 X(o=-0.0087,f=0) USER MOD Single : A 55 THR OG1 : rot 137:sc= -0.845 USER MOD Single : A 57 SER OG : rot -92:sc= 0.22 USER MOD Single : A 59 TYR OH : rot 15:sc= -0.371 USER MOD Single : A 60 ASN :FLIP amide:sc= -1.46! C(o=-2!,f=-1.5!) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -103:sc= -1.22 USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.328 USER MOD Single : A 68 HIS :FLIP no HD1:sc= -0.203 F(o=-1.5,f=-0.2) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.537 -8.785 9.901 1.00 0.00 N ATOM 2 CA MET A 1 0.582 -8.107 9.269 1.00 0.00 C ATOM 3 C MET A 1 0.405 -6.588 9.325 1.00 0.00 C ATOM 4 O MET A 1 -0.675 -6.075 9.037 1.00 0.00 O ATOM 5 CB MET A 1 0.694 -8.555 7.811 1.00 0.00 C ATOM 6 CG MET A 1 -0.566 -8.184 7.026 1.00 0.00 C ATOM 7 SD MET A 1 -0.474 -8.852 5.372 1.00 0.00 S ATOM 8 CE MET A 1 0.944 -7.960 4.756 1.00 0.00 C ATOM 0 H1 MET A 1 -0.705 -9.694 9.425 1.00 0.00 H new ATOM 0 H2 MET A 1 -0.319 -8.954 10.904 1.00 0.00 H new ATOM 0 H3 MET A 1 -1.389 -8.193 9.827 1.00 0.00 H new ATOM 0 HA MET A 1 1.492 -8.368 9.809 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.565 -8.089 7.349 1.00 0.00 H new ATOM 0 HB3 MET A 1 0.849 -9.633 7.769 1.00 0.00 H new ATOM 0 HG2 MET A 1 -1.449 -8.571 7.535 1.00 0.00 H new ATOM 0 HG3 MET A 1 -0.672 -7.100 6.984 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.760 -7.650 3.728 1.00 0.00 H new ATOM 0 HE2 MET A 1 1.117 -7.080 5.375 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.822 -8.605 4.789 1.00 0.00 H new ATOM 16 N GLN A 2 1.482 -5.911 9.696 1.00 0.00 N ATOM 17 CA GLN A 2 1.458 -4.462 9.793 1.00 0.00 C ATOM 18 C GLN A 2 2.406 -3.846 8.762 1.00 0.00 C ATOM 19 O GLN A 2 3.621 -4.014 8.851 1.00 0.00 O ATOM 20 CB GLN A 2 1.814 -4.002 11.208 1.00 0.00 C ATOM 21 CG GLN A 2 0.726 -4.406 12.206 1.00 0.00 C ATOM 22 CD GLN A 2 0.289 -3.211 13.056 1.00 0.00 C ATOM 23 OE1 GLN A 2 -0.835 -2.745 12.986 1.00 0.00 O ATOM 24 NE2 GLN A 2 1.240 -2.744 13.861 1.00 0.00 N ATOM 0 H GLN A 2 2.377 -6.340 9.933 1.00 0.00 H new ATOM 0 HA GLN A 2 0.446 -4.119 9.578 1.00 0.00 H new ATOM 0 HB2 GLN A 2 2.767 -4.438 11.507 1.00 0.00 H new ATOM 0 HB3 GLN A 2 1.941 -2.919 11.221 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -0.133 -4.808 11.669 1.00 0.00 H new ATOM 0 HG3 GLN A 2 1.098 -5.200 12.853 1.00 0.00 H new ATOM 0 HE21 GLN A 2 2.161 -3.182 13.870 1.00 0.00 H new ATOM 0 HE22 GLN A 2 1.048 -1.948 14.469 1.00 0.00 H new ATOM 31 N ILE A 3 1.814 -3.143 7.807 1.00 0.00 N ATOM 32 CA ILE A 3 2.590 -2.501 6.760 1.00 0.00 C ATOM 33 C ILE A 3 2.634 -0.993 7.016 1.00 0.00 C ATOM 34 O ILE A 3 1.788 -0.456 7.727 1.00 0.00 O ATOM 35 CB ILE A 3 2.043 -2.875 5.381 1.00 0.00 C ATOM 36 CG1 ILE A 3 0.763 -2.095 5.069 1.00 0.00 C ATOM 37 CG2 ILE A 3 1.835 -4.387 5.265 1.00 0.00 C ATOM 38 CD1 ILE A 3 0.277 -2.387 3.648 1.00 0.00 C ATOM 0 H ILE A 3 0.806 -3.004 7.737 1.00 0.00 H new ATOM 0 HA ILE A 3 3.620 -2.858 6.776 1.00 0.00 H new ATOM 0 HB ILE A 3 2.783 -2.593 4.632 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -0.014 -2.362 5.785 1.00 0.00 H new ATOM 0 HG13 ILE A 3 0.947 -1.027 5.182 1.00 0.00 H new ATOM 0 HG21 ILE A 3 1.446 -4.626 4.275 1.00 0.00 H new ATOM 0 HG22 ILE A 3 2.786 -4.898 5.414 1.00 0.00 H new ATOM 0 HG23 ILE A 3 1.125 -4.716 6.023 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -0.633 -1.821 3.451 1.00 0.00 H new ATOM 0 HD12 ILE A 3 1.047 -2.096 2.933 1.00 0.00 H new ATOM 0 HD13 ILE A 3 0.071 -3.452 3.546 1.00 0.00 H new ATOM 49 N PHE A 4 3.630 -0.353 6.420 1.00 0.00 N ATOM 50 CA PHE A 4 3.796 1.082 6.576 1.00 0.00 C ATOM 51 C PHE A 4 3.790 1.783 5.216 1.00 0.00 C ATOM 52 O PHE A 4 3.609 1.141 4.182 1.00 0.00 O ATOM 53 CB PHE A 4 5.152 1.305 7.247 1.00 0.00 C ATOM 54 CG PHE A 4 5.402 0.408 8.459 1.00 0.00 C ATOM 55 CD1 PHE A 4 4.889 0.746 9.673 1.00 0.00 C ATOM 56 CD2 PHE A 4 6.138 -0.729 8.325 1.00 0.00 C ATOM 57 CE1 PHE A 4 5.121 -0.087 10.799 1.00 0.00 C ATOM 58 CE2 PHE A 4 6.369 -1.562 9.451 1.00 0.00 C ATOM 59 CZ PHE A 4 5.856 -1.223 10.664 1.00 0.00 C ATOM 0 H PHE A 4 4.330 -0.802 5.829 1.00 0.00 H new ATOM 0 HA PHE A 4 2.978 1.490 7.169 1.00 0.00 H new ATOM 0 HB2 PHE A 4 5.941 1.136 6.514 1.00 0.00 H new ATOM 0 HB3 PHE A 4 5.225 2.347 7.558 1.00 0.00 H new ATOM 0 HD1 PHE A 4 4.305 1.648 9.780 1.00 0.00 H new ATOM 0 HD2 PHE A 4 6.546 -0.998 7.362 1.00 0.00 H new ATOM 0 HE1 PHE A 4 4.714 0.182 11.763 1.00 0.00 H new ATOM 0 HE2 PHE A 4 6.952 -2.465 9.344 1.00 0.00 H new ATOM 0 HZ PHE A 4 6.033 -1.857 11.521 1.00 0.00 H new ATOM 68 N VAL A 5 3.991 3.092 5.261 1.00 0.00 N ATOM 69 CA VAL A 5 4.012 3.889 4.045 1.00 0.00 C ATOM 70 C VAL A 5 4.722 5.215 4.322 1.00 0.00 C ATOM 71 O VAL A 5 4.601 5.773 5.412 1.00 0.00 O ATOM 72 CB VAL A 5 2.589 4.072 3.516 1.00 0.00 C ATOM 73 CG1 VAL A 5 1.657 4.590 4.613 1.00 0.00 C ATOM 74 CG2 VAL A 5 2.571 4.998 2.298 1.00 0.00 C ATOM 0 H VAL A 5 4.141 3.621 6.120 1.00 0.00 H new ATOM 0 HA VAL A 5 4.572 3.378 3.262 1.00 0.00 H new ATOM 0 HB VAL A 5 2.222 3.096 3.200 1.00 0.00 H new ATOM 0 HG11 VAL A 5 0.652 4.711 4.209 1.00 0.00 H new ATOM 0 HG12 VAL A 5 1.634 3.877 5.437 1.00 0.00 H new ATOM 0 HG13 VAL A 5 2.021 5.552 4.975 1.00 0.00 H new ATOM 0 HG21 VAL A 5 1.547 5.111 1.942 1.00 0.00 H new ATOM 0 HG22 VAL A 5 2.968 5.974 2.577 1.00 0.00 H new ATOM 0 HG23 VAL A 5 3.185 4.570 1.506 1.00 0.00 H new ATOM 84 N LYS A 6 5.447 5.683 3.316 1.00 0.00 N ATOM 85 CA LYS A 6 6.176 6.934 3.438 1.00 0.00 C ATOM 86 C LYS A 6 5.642 7.932 2.408 1.00 0.00 C ATOM 87 O LYS A 6 5.608 7.639 1.214 1.00 0.00 O ATOM 88 CB LYS A 6 7.683 6.688 3.333 1.00 0.00 C ATOM 89 CG LYS A 6 8.317 6.572 4.720 1.00 0.00 C ATOM 90 CD LYS A 6 9.786 6.158 4.619 1.00 0.00 C ATOM 91 CE LYS A 6 10.650 6.954 5.598 1.00 0.00 C ATOM 92 NZ LYS A 6 11.828 7.524 4.906 1.00 0.00 N ATOM 0 H LYS A 6 5.545 5.218 2.413 1.00 0.00 H new ATOM 0 HA LYS A 6 6.016 7.375 4.422 1.00 0.00 H new ATOM 0 HB2 LYS A 6 7.868 5.775 2.767 1.00 0.00 H new ATOM 0 HB3 LYS A 6 8.151 7.504 2.782 1.00 0.00 H new ATOM 0 HG2 LYS A 6 8.240 7.527 5.240 1.00 0.00 H new ATOM 0 HG3 LYS A 6 7.769 5.840 5.314 1.00 0.00 H new ATOM 0 HD2 LYS A 6 9.882 5.092 4.828 1.00 0.00 H new ATOM 0 HD3 LYS A 6 10.143 6.317 3.601 1.00 0.00 H new ATOM 0 HE2 LYS A 6 10.060 7.755 6.044 1.00 0.00 H new ATOM 0 HE3 LYS A 6 10.977 6.307 6.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 12.404 8.061 5.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 12.399 6.755 4.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 11.511 8.157 4.145 1.00 0.00 H new ATOM 102 N THR A 7 5.240 9.091 2.908 1.00 0.00 N ATOM 103 CA THR A 7 4.710 10.135 2.047 1.00 0.00 C ATOM 104 C THR A 7 5.850 10.895 1.368 1.00 0.00 C ATOM 105 O THR A 7 6.943 10.358 1.193 1.00 0.00 O ATOM 106 CB THR A 7 3.802 11.029 2.892 1.00 0.00 C ATOM 107 OG1 THR A 7 4.682 11.615 3.847 1.00 0.00 O ATOM 108 CG2 THR A 7 2.813 10.226 3.740 1.00 0.00 C ATOM 0 H THR A 7 5.271 9.330 3.899 1.00 0.00 H new ATOM 0 HA THR A 7 4.113 9.715 1.237 1.00 0.00 H new ATOM 0 HB THR A 7 3.253 11.707 2.239 1.00 0.00 H new ATOM 0 HG1 THR A 7 4.162 11.958 4.604 1.00 0.00 H new ATOM 0 HG21 THR A 7 2.193 10.909 4.320 1.00 0.00 H new ATOM 0 HG22 THR A 7 2.179 9.625 3.088 1.00 0.00 H new ATOM 0 HG23 THR A 7 3.362 9.571 4.417 1.00 0.00 H new ATOM 116 N LEU A 8 5.557 12.134 1.002 1.00 0.00 N ATOM 117 CA LEU A 8 6.544 12.975 0.344 1.00 0.00 C ATOM 118 C LEU A 8 7.527 13.508 1.387 1.00 0.00 C ATOM 119 O LEU A 8 8.724 13.613 1.122 1.00 0.00 O ATOM 120 CB LEU A 8 5.856 14.071 -0.470 1.00 0.00 C ATOM 121 CG LEU A 8 5.212 13.627 -1.785 1.00 0.00 C ATOM 122 CD1 LEU A 8 4.623 14.820 -2.538 1.00 0.00 C ATOM 123 CD2 LEU A 8 6.205 12.840 -2.644 1.00 0.00 C ATOM 0 H LEU A 8 4.650 12.577 1.148 1.00 0.00 H new ATOM 0 HA LEU A 8 7.123 12.394 -0.374 1.00 0.00 H new ATOM 0 HB2 LEU A 8 5.087 14.529 0.152 1.00 0.00 H new ATOM 0 HB3 LEU A 8 6.590 14.846 -0.691 1.00 0.00 H new ATOM 0 HG LEU A 8 4.386 12.955 -1.551 1.00 0.00 H new ATOM 0 HD11 LEU A 8 4.172 14.476 -3.469 1.00 0.00 H new ATOM 0 HD12 LEU A 8 3.863 15.300 -1.922 1.00 0.00 H new ATOM 0 HD13 LEU A 8 5.414 15.536 -2.761 1.00 0.00 H new ATOM 0 HD21 LEU A 8 5.722 12.536 -3.573 1.00 0.00 H new ATOM 0 HD22 LEU A 8 7.067 13.468 -2.872 1.00 0.00 H new ATOM 0 HD23 LEU A 8 6.535 11.955 -2.100 1.00 0.00 H new ATOM 134 N THR A 9 6.988 13.831 2.553 1.00 0.00 N ATOM 135 CA THR A 9 7.803 14.351 3.638 1.00 0.00 C ATOM 136 C THR A 9 8.576 13.218 4.315 1.00 0.00 C ATOM 137 O THR A 9 9.800 13.271 4.417 1.00 0.00 O ATOM 138 CB THR A 9 6.886 15.117 4.593 1.00 0.00 C ATOM 139 OG1 THR A 9 7.753 15.538 5.644 1.00 0.00 O ATOM 140 CG2 THR A 9 5.873 14.206 5.288 1.00 0.00 C ATOM 0 H THR A 9 5.995 13.743 2.771 1.00 0.00 H new ATOM 0 HA THR A 9 8.560 15.042 3.268 1.00 0.00 H new ATOM 0 HB THR A 9 6.357 15.895 4.042 1.00 0.00 H new ATOM 0 HG1 THR A 9 7.240 16.044 6.308 1.00 0.00 H new ATOM 0 HG21 THR A 9 5.247 14.800 5.954 1.00 0.00 H new ATOM 0 HG22 THR A 9 5.247 13.720 4.539 1.00 0.00 H new ATOM 0 HG23 THR A 9 6.402 13.448 5.866 1.00 0.00 H new ATOM 148 N GLY A 10 7.829 12.219 4.761 1.00 0.00 N ATOM 149 CA GLY A 10 8.428 11.074 5.425 1.00 0.00 C ATOM 150 C GLY A 10 7.601 10.651 6.641 1.00 0.00 C ATOM 151 O GLY A 10 8.152 10.358 7.701 1.00 0.00 O ATOM 0 H GLY A 10 6.813 12.179 4.675 1.00 0.00 H new ATOM 0 HA2 GLY A 10 8.504 10.242 4.725 1.00 0.00 H new ATOM 0 HA3 GLY A 10 9.442 11.320 5.738 1.00 0.00 H new ATOM 155 N LYS A 11 6.290 10.633 6.448 1.00 0.00 N ATOM 156 CA LYS A 11 5.382 10.251 7.515 1.00 0.00 C ATOM 157 C LYS A 11 5.088 8.752 7.415 1.00 0.00 C ATOM 158 O LYS A 11 4.420 8.308 6.483 1.00 0.00 O ATOM 159 CB LYS A 11 4.127 11.126 7.490 1.00 0.00 C ATOM 160 CG LYS A 11 3.862 11.742 8.865 1.00 0.00 C ATOM 161 CD LYS A 11 2.774 10.967 9.612 1.00 0.00 C ATOM 162 CE LYS A 11 1.383 11.505 9.267 1.00 0.00 C ATOM 163 NZ LYS A 11 0.943 12.490 10.281 1.00 0.00 N ATOM 0 H LYS A 11 5.835 10.877 5.568 1.00 0.00 H new ATOM 0 HA LYS A 11 5.843 10.423 8.488 1.00 0.00 H new ATOM 0 HB2 LYS A 11 4.245 11.917 6.750 1.00 0.00 H new ATOM 0 HB3 LYS A 11 3.268 10.528 7.183 1.00 0.00 H new ATOM 0 HG2 LYS A 11 4.781 11.742 9.451 1.00 0.00 H new ATOM 0 HG3 LYS A 11 3.558 12.782 8.749 1.00 0.00 H new ATOM 0 HD2 LYS A 11 2.833 9.910 9.354 1.00 0.00 H new ATOM 0 HD3 LYS A 11 2.941 11.043 10.686 1.00 0.00 H new ATOM 0 HE2 LYS A 11 1.401 11.971 8.282 1.00 0.00 H new ATOM 0 HE3 LYS A 11 0.670 10.682 9.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -0.002 12.845 10.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 0.907 12.034 11.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 1.615 13.283 10.309 1.00 0.00 H new ATOM 173 N THR A 12 5.599 8.014 8.390 1.00 0.00 N ATOM 174 CA THR A 12 5.400 6.576 8.424 1.00 0.00 C ATOM 175 C THR A 12 4.026 6.242 9.009 1.00 0.00 C ATOM 176 O THR A 12 3.818 6.353 10.216 1.00 0.00 O ATOM 177 CB THR A 12 6.560 5.956 9.205 1.00 0.00 C ATOM 178 OG1 THR A 12 7.696 6.180 8.374 1.00 0.00 O ATOM 179 CG2 THR A 12 6.458 4.433 9.293 1.00 0.00 C ATOM 0 H THR A 12 6.151 8.386 9.163 1.00 0.00 H new ATOM 0 HA THR A 12 5.403 6.152 7.420 1.00 0.00 H new ATOM 0 HB THR A 12 6.587 6.377 10.210 1.00 0.00 H new ATOM 0 HG1 THR A 12 8.495 5.811 8.805 1.00 0.00 H new ATOM 0 HG21 THR A 12 7.305 4.044 9.857 1.00 0.00 H new ATOM 0 HG22 THR A 12 5.531 4.159 9.796 1.00 0.00 H new ATOM 0 HG23 THR A 12 6.465 4.009 8.289 1.00 0.00 H new ATOM 187 N ILE A 13 3.124 5.840 8.126 1.00 0.00 N ATOM 188 CA ILE A 13 1.777 5.489 8.540 1.00 0.00 C ATOM 189 C ILE A 13 1.643 3.966 8.591 1.00 0.00 C ATOM 190 O ILE A 13 1.836 3.288 7.583 1.00 0.00 O ATOM 191 CB ILE A 13 0.744 6.167 7.635 1.00 0.00 C ATOM 192 CG1 ILE A 13 0.527 7.624 8.047 1.00 0.00 C ATOM 193 CG2 ILE A 13 -0.566 5.377 7.610 1.00 0.00 C ATOM 194 CD1 ILE A 13 1.247 8.577 7.090 1.00 0.00 C ATOM 0 H ILE A 13 3.300 5.750 7.125 1.00 0.00 H new ATOM 0 HA ILE A 13 1.580 5.860 9.546 1.00 0.00 H new ATOM 0 HB ILE A 13 1.134 6.175 6.617 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -0.540 7.848 8.055 1.00 0.00 H new ATOM 0 HG13 ILE A 13 0.893 7.777 9.062 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -1.282 5.880 6.960 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -0.378 4.372 7.233 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -0.973 5.315 8.619 1.00 0.00 H new ATOM 0 HD11 ILE A 13 1.077 9.606 7.405 1.00 0.00 H new ATOM 0 HD12 ILE A 13 2.316 8.366 7.102 1.00 0.00 H new ATOM 0 HD13 ILE A 13 0.861 8.438 6.080 1.00 0.00 H new ATOM 205 N THR A 14 1.314 3.472 9.775 1.00 0.00 N ATOM 206 CA THR A 14 1.153 2.041 9.971 1.00 0.00 C ATOM 207 C THR A 14 -0.210 1.582 9.450 1.00 0.00 C ATOM 208 O THR A 14 -1.206 2.290 9.596 1.00 0.00 O ATOM 209 CB THR A 14 1.369 1.740 11.455 1.00 0.00 C ATOM 210 OG1 THR A 14 2.423 2.619 11.838 1.00 0.00 O ATOM 211 CG2 THR A 14 1.947 0.342 11.691 1.00 0.00 C ATOM 0 H THR A 14 1.154 4.037 10.609 1.00 0.00 H new ATOM 0 HA THR A 14 1.891 1.478 9.400 1.00 0.00 H new ATOM 0 HB THR A 14 0.422 1.836 11.986 1.00 0.00 H new ATOM 0 HG1 THR A 14 2.626 2.491 12.788 1.00 0.00 H new ATOM 0 HG21 THR A 14 2.081 0.179 12.760 1.00 0.00 H new ATOM 0 HG22 THR A 14 1.262 -0.407 11.293 1.00 0.00 H new ATOM 0 HG23 THR A 14 2.910 0.257 11.188 1.00 0.00 H new ATOM 219 N LEU A 15 -0.212 0.399 8.853 1.00 0.00 N ATOM 220 CA LEU A 15 -1.437 -0.164 8.310 1.00 0.00 C ATOM 221 C LEU A 15 -1.679 -1.541 8.929 1.00 0.00 C ATOM 222 O LEU A 15 -0.773 -2.130 9.516 1.00 0.00 O ATOM 223 CB LEU A 15 -1.388 -0.177 6.781 1.00 0.00 C ATOM 224 CG LEU A 15 -1.621 1.169 6.091 1.00 0.00 C ATOM 225 CD1 LEU A 15 -2.672 1.992 6.838 1.00 0.00 C ATOM 226 CD2 LEU A 15 -0.307 1.934 5.922 1.00 0.00 C ATOM 0 H LEU A 15 0.615 -0.185 8.733 1.00 0.00 H new ATOM 0 HA LEU A 15 -2.292 0.459 8.574 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.415 -0.558 6.472 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.136 -0.883 6.419 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.012 0.978 5.092 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.819 2.944 6.327 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.614 1.444 6.862 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.333 2.176 7.858 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.501 2.887 5.429 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.137 2.116 6.901 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.381 1.345 5.315 1.00 0.00 H new ATOM 237 N GLU A 16 -2.908 -2.016 8.777 1.00 0.00 N ATOM 238 CA GLU A 16 -3.279 -3.314 9.315 1.00 0.00 C ATOM 239 C GLU A 16 -4.078 -4.108 8.278 1.00 0.00 C ATOM 240 O GLU A 16 -5.236 -4.448 8.510 1.00 0.00 O ATOM 241 CB GLU A 16 -4.069 -3.162 10.616 1.00 0.00 C ATOM 242 CG GLU A 16 -3.411 -3.949 11.752 1.00 0.00 C ATOM 243 CD GLU A 16 -4.450 -4.753 12.535 1.00 0.00 C ATOM 244 OE1 GLU A 16 -5.388 -4.112 13.059 1.00 0.00 O ATOM 245 OE2 GLU A 16 -4.285 -5.990 12.594 1.00 0.00 O ATOM 0 H GLU A 16 -3.658 -1.526 8.290 1.00 0.00 H new ATOM 0 HA GLU A 16 -2.367 -3.866 9.544 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -4.131 -2.108 10.887 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -5.090 -3.514 10.469 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -2.657 -4.622 11.344 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -2.895 -3.263 12.424 1.00 0.00 H new ATOM 250 N VAL A 17 -3.425 -4.379 7.157 1.00 0.00 N ATOM 251 CA VAL A 17 -4.059 -5.128 6.085 1.00 0.00 C ATOM 252 C VAL A 17 -3.609 -6.588 6.151 1.00 0.00 C ATOM 253 O VAL A 17 -2.886 -6.977 7.067 1.00 0.00 O ATOM 254 CB VAL A 17 -3.757 -4.469 4.738 1.00 0.00 C ATOM 255 CG1 VAL A 17 -4.458 -3.113 4.620 1.00 0.00 C ATOM 256 CG2 VAL A 17 -2.249 -4.327 4.524 1.00 0.00 C ATOM 0 H VAL A 17 -2.464 -4.094 6.968 1.00 0.00 H new ATOM 0 HA VAL A 17 -5.143 -5.118 6.202 1.00 0.00 H new ATOM 0 HB VAL A 17 -4.148 -5.117 3.953 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -4.226 -2.667 3.653 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -5.536 -3.252 4.707 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -4.112 -2.454 5.416 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.061 -3.856 3.559 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -1.825 -3.711 5.317 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -1.784 -5.313 4.543 1.00 0.00 H new ATOM 266 N GLU A 18 -4.054 -7.356 5.168 1.00 0.00 N ATOM 267 CA GLU A 18 -3.705 -8.765 5.103 1.00 0.00 C ATOM 268 C GLU A 18 -3.021 -9.083 3.771 1.00 0.00 C ATOM 269 O GLU A 18 -2.959 -8.233 2.884 1.00 0.00 O ATOM 270 CB GLU A 18 -4.939 -9.646 5.310 1.00 0.00 C ATOM 271 CG GLU A 18 -4.872 -10.379 6.651 1.00 0.00 C ATOM 272 CD GLU A 18 -5.755 -9.694 7.695 1.00 0.00 C ATOM 273 OE1 GLU A 18 -5.276 -8.697 8.279 1.00 0.00 O ATOM 274 OE2 GLU A 18 -6.890 -10.182 7.887 1.00 0.00 O ATOM 0 H GLU A 18 -4.653 -7.029 4.410 1.00 0.00 H new ATOM 0 HA GLU A 18 -3.004 -8.983 5.909 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -5.839 -9.032 5.272 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -5.013 -10.371 4.499 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -5.192 -11.413 6.521 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -3.841 -10.407 7.003 1.00 0.00 H new ATOM 279 N PRO A 19 -2.513 -10.340 3.671 1.00 0.00 N ATOM 280 CA PRO A 19 -1.837 -10.779 2.462 1.00 0.00 C ATOM 281 C PRO A 19 -2.841 -11.059 1.343 1.00 0.00 C ATOM 282 O PRO A 19 -2.472 -11.112 0.171 1.00 0.00 O ATOM 283 CB PRO A 19 -1.053 -12.013 2.878 1.00 0.00 C ATOM 284 CG PRO A 19 -1.680 -12.489 4.178 1.00 0.00 C ATOM 285 CD PRO A 19 -2.569 -11.373 4.702 1.00 0.00 C ATOM 0 HA PRO A 19 -1.172 -10.019 2.052 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -1.108 -12.787 2.112 1.00 0.00 H new ATOM 0 HB3 PRO A 19 0.002 -11.777 3.017 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -2.263 -13.395 4.012 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -0.908 -12.736 4.906 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -3.590 -11.721 4.859 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -2.209 -10.997 5.660 1.00 0.00 H new ATOM 290 N SER A 20 -4.094 -11.229 1.743 1.00 0.00 N ATOM 291 CA SER A 20 -5.154 -11.501 0.788 1.00 0.00 C ATOM 292 C SER A 20 -5.840 -10.196 0.382 1.00 0.00 C ATOM 293 O SER A 20 -6.595 -10.162 -0.589 1.00 0.00 O ATOM 294 CB SER A 20 -6.177 -12.482 1.365 1.00 0.00 C ATOM 295 OG SER A 20 -5.553 -13.632 1.932 1.00 0.00 O ATOM 0 H SER A 20 -4.398 -11.183 2.716 1.00 0.00 H new ATOM 0 HA SER A 20 -4.709 -11.960 -0.095 1.00 0.00 H new ATOM 0 HB2 SER A 20 -6.772 -11.979 2.128 1.00 0.00 H new ATOM 0 HB3 SER A 20 -6.865 -12.793 0.579 1.00 0.00 H new ATOM 0 HG SER A 20 -6.239 -14.233 2.291 1.00 0.00 H new ATOM 300 N ASP A 21 -5.555 -9.152 1.146 1.00 0.00 N ATOM 301 CA ASP A 21 -6.136 -7.846 0.879 1.00 0.00 C ATOM 302 C ASP A 21 -5.633 -7.338 -0.474 1.00 0.00 C ATOM 303 O ASP A 21 -4.922 -8.047 -1.184 1.00 0.00 O ATOM 304 CB ASP A 21 -5.727 -6.832 1.948 1.00 0.00 C ATOM 305 CG ASP A 21 -6.621 -6.804 3.190 1.00 0.00 C ATOM 306 OD1 ASP A 21 -6.954 -7.907 3.673 1.00 0.00 O ATOM 307 OD2 ASP A 21 -6.951 -5.681 3.625 1.00 0.00 O ATOM 0 H ASP A 21 -4.929 -9.183 1.951 1.00 0.00 H new ATOM 0 HA ASP A 21 -7.221 -7.952 0.881 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -4.705 -7.048 2.259 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -5.721 -5.838 1.501 1.00 0.00 H new ATOM 311 N THR A 22 -6.021 -6.111 -0.789 1.00 0.00 N ATOM 312 CA THR A 22 -5.619 -5.498 -2.044 1.00 0.00 C ATOM 313 C THR A 22 -4.987 -4.129 -1.790 1.00 0.00 C ATOM 314 O THR A 22 -5.020 -3.624 -0.668 1.00 0.00 O ATOM 315 CB THR A 22 -6.846 -5.441 -2.957 1.00 0.00 C ATOM 316 OG1 THR A 22 -7.231 -6.805 -3.107 1.00 0.00 O ATOM 317 CG2 THR A 22 -6.497 -4.995 -4.378 1.00 0.00 C ATOM 0 H THR A 22 -6.609 -5.525 -0.197 1.00 0.00 H new ATOM 0 HA THR A 22 -4.851 -6.088 -2.544 1.00 0.00 H new ATOM 0 HB THR A 22 -7.583 -4.759 -2.532 1.00 0.00 H new ATOM 0 HG1 THR A 22 -8.021 -6.860 -3.684 1.00 0.00 H new ATOM 0 HG21 THR A 22 -7.402 -4.971 -4.985 1.00 0.00 H new ATOM 0 HG22 THR A 22 -6.054 -4.000 -4.348 1.00 0.00 H new ATOM 0 HG23 THR A 22 -5.786 -5.696 -4.815 1.00 0.00 H new ATOM 325 N ILE A 23 -4.426 -3.565 -2.849 1.00 0.00 N ATOM 326 CA ILE A 23 -3.787 -2.264 -2.755 1.00 0.00 C ATOM 327 C ILE A 23 -4.853 -1.194 -2.513 1.00 0.00 C ATOM 328 O ILE A 23 -4.702 -0.352 -1.628 1.00 0.00 O ATOM 329 CB ILE A 23 -2.922 -2.001 -3.989 1.00 0.00 C ATOM 330 CG1 ILE A 23 -1.724 -2.953 -4.033 1.00 0.00 C ATOM 331 CG2 ILE A 23 -2.490 -0.535 -4.055 1.00 0.00 C ATOM 332 CD1 ILE A 23 -0.917 -2.879 -2.734 1.00 0.00 C ATOM 0 H ILE A 23 -4.401 -3.986 -3.778 1.00 0.00 H new ATOM 0 HA ILE A 23 -3.106 -2.235 -1.905 1.00 0.00 H new ATOM 0 HB ILE A 23 -3.525 -2.199 -4.875 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -2.072 -3.974 -4.192 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -1.084 -2.699 -4.878 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -1.876 -0.376 -4.942 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -3.373 0.103 -4.106 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -1.913 -0.285 -3.165 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -0.072 -3.565 -2.791 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -0.551 -1.863 -2.591 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -1.553 -3.157 -1.894 1.00 0.00 H new ATOM 343 N GLU A 24 -5.905 -1.260 -3.315 1.00 0.00 N ATOM 344 CA GLU A 24 -6.996 -0.307 -3.199 1.00 0.00 C ATOM 345 C GLU A 24 -7.594 -0.354 -1.791 1.00 0.00 C ATOM 346 O GLU A 24 -8.267 0.585 -1.366 1.00 0.00 O ATOM 347 CB GLU A 24 -8.068 -0.569 -4.258 1.00 0.00 C ATOM 348 CG GLU A 24 -8.683 -1.959 -4.084 1.00 0.00 C ATOM 349 CD GLU A 24 -10.143 -1.860 -3.636 1.00 0.00 C ATOM 350 OE1 GLU A 24 -11.001 -1.693 -4.530 1.00 0.00 O ATOM 351 OE2 GLU A 24 -10.367 -1.955 -2.410 1.00 0.00 O ATOM 0 H GLU A 24 -6.025 -1.959 -4.048 1.00 0.00 H new ATOM 0 HA GLU A 24 -6.599 0.693 -3.371 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -8.848 0.189 -4.186 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -7.630 -0.483 -5.253 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -8.624 -2.507 -5.024 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -8.111 -2.524 -3.349 1.00 0.00 H new ATOM 356 N ASN A 25 -7.326 -1.456 -1.105 1.00 0.00 N ATOM 357 CA ASN A 25 -7.830 -1.638 0.246 1.00 0.00 C ATOM 358 C ASN A 25 -6.933 -0.879 1.226 1.00 0.00 C ATOM 359 O ASN A 25 -7.406 -0.370 2.240 1.00 0.00 O ATOM 360 CB ASN A 25 -7.821 -3.115 0.644 1.00 0.00 C ATOM 361 CG ASN A 25 -9.227 -3.713 0.563 1.00 0.00 C ATOM 362 OD1 ASN A 25 -9.889 -3.943 1.562 1.00 0.00 O ATOM 363 ND2 ASN A 25 -9.644 -3.950 -0.677 1.00 0.00 N ATOM 0 H ASN A 25 -6.766 -2.232 -1.460 1.00 0.00 H new ATOM 0 HA ASN A 25 -8.853 -1.263 0.277 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -7.148 -3.668 -0.012 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -7.435 -3.220 1.658 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -10.569 -4.348 -0.837 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -9.039 -3.734 -1.469 1.00 0.00 H new ATOM 369 N VAL A 26 -5.652 -0.827 0.888 1.00 0.00 N ATOM 370 CA VAL A 26 -4.684 -0.139 1.725 1.00 0.00 C ATOM 371 C VAL A 26 -4.884 1.371 1.592 1.00 0.00 C ATOM 372 O VAL A 26 -5.111 2.061 2.585 1.00 0.00 O ATOM 373 CB VAL A 26 -3.267 -0.589 1.364 1.00 0.00 C ATOM 374 CG1 VAL A 26 -2.223 0.204 2.153 1.00 0.00 C ATOM 375 CG2 VAL A 26 -3.095 -2.093 1.587 1.00 0.00 C ATOM 0 H VAL A 26 -5.263 -1.250 0.046 1.00 0.00 H new ATOM 0 HA VAL A 26 -4.835 -0.396 2.774 1.00 0.00 H new ATOM 0 HB VAL A 26 -3.112 -0.388 0.304 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -1.224 -0.135 1.878 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.322 1.265 1.923 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -2.378 0.048 3.221 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.079 -2.386 1.323 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -3.280 -2.329 2.635 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -3.804 -2.637 0.962 1.00 0.00 H new ATOM 385 N LYS A 27 -4.792 1.842 0.357 1.00 0.00 N ATOM 386 CA LYS A 27 -4.959 3.259 0.082 1.00 0.00 C ATOM 387 C LYS A 27 -6.245 3.755 0.746 1.00 0.00 C ATOM 388 O LYS A 27 -6.253 4.810 1.379 1.00 0.00 O ATOM 389 CB LYS A 27 -4.905 3.522 -1.425 1.00 0.00 C ATOM 390 CG LYS A 27 -3.470 3.425 -1.947 1.00 0.00 C ATOM 391 CD LYS A 27 -3.410 2.599 -3.233 1.00 0.00 C ATOM 392 CE LYS A 27 -3.360 3.506 -4.465 1.00 0.00 C ATOM 393 NZ LYS A 27 -4.676 3.533 -5.142 1.00 0.00 N ATOM 0 H LYS A 27 -4.604 1.267 -0.464 1.00 0.00 H new ATOM 0 HA LYS A 27 -4.136 3.830 0.512 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -5.535 2.801 -1.946 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -5.308 4.512 -1.640 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -3.079 4.425 -2.134 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -2.833 2.970 -1.188 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.531 1.955 -3.215 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -4.282 1.947 -3.292 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -3.076 4.516 -4.169 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -2.596 3.149 -5.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -4.625 4.153 -5.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -4.932 2.571 -5.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -5.397 3.895 -4.485 1.00 0.00 H new ATOM 403 N ALA A 28 -7.300 2.970 0.581 1.00 0.00 N ATOM 404 CA ALA A 28 -8.588 3.316 1.157 1.00 0.00 C ATOM 405 C ALA A 28 -8.401 3.682 2.631 1.00 0.00 C ATOM 406 O ALA A 28 -9.104 4.544 3.155 1.00 0.00 O ATOM 407 CB ALA A 28 -9.562 2.153 0.965 1.00 0.00 C ATOM 0 H ALA A 28 -7.289 2.095 0.056 1.00 0.00 H new ATOM 0 HA ALA A 28 -9.013 4.184 0.653 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -10.528 2.413 1.397 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -9.683 1.952 -0.099 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -9.170 1.265 1.460 1.00 0.00 H new ATOM 413 N LYS A 29 -7.448 3.008 3.258 1.00 0.00 N ATOM 414 CA LYS A 29 -7.159 3.251 4.662 1.00 0.00 C ATOM 415 C LYS A 29 -6.333 4.532 4.793 1.00 0.00 C ATOM 416 O LYS A 29 -6.469 5.264 5.772 1.00 0.00 O ATOM 417 CB LYS A 29 -6.497 2.024 5.293 1.00 0.00 C ATOM 418 CG LYS A 29 -7.528 0.929 5.573 1.00 0.00 C ATOM 419 CD LYS A 29 -6.860 -0.312 6.173 1.00 0.00 C ATOM 420 CE LYS A 29 -7.232 -0.474 7.648 1.00 0.00 C ATOM 421 NZ LYS A 29 -7.053 -1.879 8.076 1.00 0.00 N ATOM 0 H LYS A 29 -6.866 2.294 2.820 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.082 3.408 5.220 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -5.725 1.640 4.627 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -6.003 2.310 6.222 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.287 1.306 6.259 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -8.039 0.660 4.648 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -7.166 -1.199 5.617 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -5.778 -0.231 6.074 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -6.611 0.181 8.260 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -8.267 -0.169 7.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -7.310 -1.972 9.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -7.664 -2.497 7.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -6.060 -2.158 7.946 1.00 0.00 H new ATOM 431 N ILE A 30 -5.495 4.763 3.794 1.00 0.00 N ATOM 432 CA ILE A 30 -4.647 5.943 3.786 1.00 0.00 C ATOM 433 C ILE A 30 -5.515 7.189 3.596 1.00 0.00 C ATOM 434 O ILE A 30 -5.118 8.290 3.973 1.00 0.00 O ATOM 435 CB ILE A 30 -3.540 5.799 2.740 1.00 0.00 C ATOM 436 CG1 ILE A 30 -2.918 4.402 2.787 1.00 0.00 C ATOM 437 CG2 ILE A 30 -2.490 6.900 2.898 1.00 0.00 C ATOM 438 CD1 ILE A 30 -2.448 4.059 4.203 1.00 0.00 C ATOM 0 H ILE A 30 -5.385 4.153 2.984 1.00 0.00 H new ATOM 0 HA ILE A 30 -4.137 6.053 4.743 1.00 0.00 H new ATOM 0 HB ILE A 30 -3.986 5.919 1.753 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -3.647 3.664 2.453 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -2.075 4.352 2.098 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -1.715 6.774 2.142 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -2.963 7.874 2.774 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -2.043 6.837 3.890 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -2.010 3.061 4.209 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -1.701 4.785 4.524 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -3.298 4.086 4.885 1.00 0.00 H new ATOM 449 N GLN A 31 -6.684 6.973 3.011 1.00 0.00 N ATOM 450 CA GLN A 31 -7.611 8.064 2.767 1.00 0.00 C ATOM 451 C GLN A 31 -8.066 8.682 4.091 1.00 0.00 C ATOM 452 O GLN A 31 -8.050 9.901 4.249 1.00 0.00 O ATOM 453 CB GLN A 31 -8.811 7.590 1.943 1.00 0.00 C ATOM 454 CG GLN A 31 -8.591 7.853 0.452 1.00 0.00 C ATOM 455 CD GLN A 31 -7.587 6.861 -0.137 1.00 0.00 C ATOM 456 OE1 GLN A 31 -6.350 7.336 -0.236 1.00 0.00 O flip ATOM 457 NE2 GLN A 31 -7.915 5.737 -0.482 1.00 0.00 N flip ATOM 0 H GLN A 31 -7.010 6.058 2.699 1.00 0.00 H new ATOM 0 HA GLN A 31 -7.094 8.831 2.190 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -8.972 6.525 2.108 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -9.712 8.104 2.277 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -9.540 7.774 -0.079 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -8.229 8.871 0.308 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -8.884 5.434 -0.379 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -7.221 5.101 -0.873 1.00 0.00 H new ATOM 464 N ASP A 32 -8.459 7.811 5.009 1.00 0.00 N ATOM 465 CA ASP A 32 -8.916 8.256 6.314 1.00 0.00 C ATOM 466 C ASP A 32 -7.720 8.348 7.264 1.00 0.00 C ATOM 467 O ASP A 32 -7.521 9.371 7.919 1.00 0.00 O ATOM 468 CB ASP A 32 -9.920 7.268 6.912 1.00 0.00 C ATOM 469 CG ASP A 32 -11.160 7.906 7.542 1.00 0.00 C ATOM 470 OD1 ASP A 32 -11.187 9.155 7.600 1.00 0.00 O ATOM 471 OD2 ASP A 32 -12.052 7.133 7.950 1.00 0.00 O ATOM 0 H ASP A 32 -8.470 6.800 4.875 1.00 0.00 H new ATOM 0 HA ASP A 32 -9.395 9.227 6.191 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -10.242 6.582 6.129 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -9.412 6.672 7.670 1.00 0.00 H new ATOM 475 N LYS A 33 -6.957 7.268 7.310 1.00 0.00 N ATOM 476 CA LYS A 33 -5.785 7.214 8.169 1.00 0.00 C ATOM 477 C LYS A 33 -5.103 8.584 8.180 1.00 0.00 C ATOM 478 O LYS A 33 -4.662 9.052 9.228 1.00 0.00 O ATOM 479 CB LYS A 33 -4.862 6.070 7.745 1.00 0.00 C ATOM 480 CG LYS A 33 -5.474 4.712 8.097 1.00 0.00 C ATOM 481 CD LYS A 33 -5.147 4.321 9.538 1.00 0.00 C ATOM 482 CE LYS A 33 -6.244 4.789 10.496 1.00 0.00 C ATOM 483 NZ LYS A 33 -6.781 3.646 11.269 1.00 0.00 N ATOM 0 H LYS A 33 -7.126 6.422 6.766 1.00 0.00 H new ATOM 0 HA LYS A 33 -6.075 6.994 9.196 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -4.680 6.124 6.672 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -3.896 6.176 8.238 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -6.555 4.751 7.963 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -5.095 3.951 7.415 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -5.035 3.239 9.608 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -4.193 4.760 9.830 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -5.844 5.540 11.177 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -7.047 5.265 9.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -7.524 3.982 11.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -7.181 2.943 10.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -6.015 3.210 11.821 1.00 0.00 H new ATOM 493 N GLU A 34 -5.039 9.186 7.001 1.00 0.00 N ATOM 494 CA GLU A 34 -4.417 10.492 6.863 1.00 0.00 C ATOM 495 C GLU A 34 -5.486 11.570 6.668 1.00 0.00 C ATOM 496 O GLU A 34 -5.459 12.603 7.335 1.00 0.00 O ATOM 497 CB GLU A 34 -3.413 10.501 5.708 1.00 0.00 C ATOM 498 CG GLU A 34 -1.976 10.542 6.232 1.00 0.00 C ATOM 499 CD GLU A 34 -1.155 11.605 5.499 1.00 0.00 C ATOM 500 OE1 GLU A 34 -0.631 11.269 4.415 1.00 0.00 O ATOM 501 OE2 GLU A 34 -1.070 12.729 6.041 1.00 0.00 O ATOM 0 H GLU A 34 -5.407 8.794 6.134 1.00 0.00 H new ATOM 0 HA GLU A 34 -3.869 10.712 7.779 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -3.554 9.613 5.092 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -3.596 11.365 5.069 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -1.981 10.754 7.301 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -1.510 9.565 6.103 1.00 0.00 H new ATOM 506 N GLY A 35 -6.402 11.291 5.753 1.00 0.00 N ATOM 507 CA GLY A 35 -7.478 12.225 5.462 1.00 0.00 C ATOM 508 C GLY A 35 -7.278 12.883 4.096 1.00 0.00 C ATOM 509 O GLY A 35 -7.753 13.994 3.864 1.00 0.00 O ATOM 0 H GLY A 35 -6.422 10.432 5.203 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -8.434 11.701 5.481 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -7.519 12.991 6.236 1.00 0.00 H new ATOM 513 N ILE A 36 -6.577 12.170 3.228 1.00 0.00 N ATOM 514 CA ILE A 36 -6.310 12.672 1.891 1.00 0.00 C ATOM 515 C ILE A 36 -7.060 11.815 0.869 1.00 0.00 C ATOM 516 O ILE A 36 -7.238 10.615 1.071 1.00 0.00 O ATOM 517 CB ILE A 36 -4.802 12.749 1.639 1.00 0.00 C ATOM 518 CG1 ILE A 36 -4.189 13.959 2.346 1.00 0.00 C ATOM 519 CG2 ILE A 36 -4.496 12.745 0.140 1.00 0.00 C ATOM 520 CD1 ILE A 36 -3.389 13.528 3.577 1.00 0.00 C ATOM 0 H ILE A 36 -6.186 11.249 3.424 1.00 0.00 H new ATOM 0 HA ILE A 36 -6.681 13.692 1.786 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.339 11.859 2.065 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -3.539 14.497 1.656 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -4.978 14.649 2.644 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.418 12.800 -0.011 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.879 11.827 -0.307 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.973 13.604 -0.331 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -2.964 14.407 4.061 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -4.047 13.012 4.276 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.585 12.858 3.272 1.00 0.00 H new ATOM 531 N PRO A 37 -7.492 12.483 -0.234 1.00 0.00 N ATOM 532 CA PRO A 37 -8.220 11.796 -1.287 1.00 0.00 C ATOM 533 C PRO A 37 -7.279 10.936 -2.134 1.00 0.00 C ATOM 534 O PRO A 37 -6.089 11.232 -2.240 1.00 0.00 O ATOM 535 CB PRO A 37 -8.894 12.900 -2.084 1.00 0.00 C ATOM 536 CG PRO A 37 -8.150 14.179 -1.737 1.00 0.00 C ATOM 537 CD PRO A 37 -7.300 13.904 -0.507 1.00 0.00 C ATOM 0 HA PRO A 37 -8.959 11.095 -0.899 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -8.843 12.696 -3.154 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -9.950 12.980 -1.825 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -7.524 14.495 -2.571 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -8.853 14.989 -1.542 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -6.251 14.133 -0.692 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -7.616 14.516 0.338 1.00 0.00 H new ATOM 542 N PRO A 38 -7.861 9.861 -2.728 1.00 0.00 N ATOM 543 CA PRO A 38 -7.087 8.956 -3.561 1.00 0.00 C ATOM 544 C PRO A 38 -6.784 9.589 -4.922 1.00 0.00 C ATOM 545 O PRO A 38 -6.161 8.961 -5.777 1.00 0.00 O ATOM 546 CB PRO A 38 -7.933 7.697 -3.667 1.00 0.00 C ATOM 547 CG PRO A 38 -9.344 8.110 -3.281 1.00 0.00 C ATOM 548 CD PRO A 38 -9.266 9.478 -2.624 1.00 0.00 C ATOM 0 HA PRO A 38 -6.109 8.728 -3.138 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -7.907 7.293 -4.679 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -7.559 6.918 -3.003 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -9.986 8.145 -4.161 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -9.781 7.382 -2.597 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -9.911 10.197 -3.129 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -9.589 9.436 -1.584 1.00 0.00 H new ATOM 553 N ASP A 39 -7.238 10.822 -5.079 1.00 0.00 N ATOM 554 CA ASP A 39 -7.022 11.546 -6.321 1.00 0.00 C ATOM 555 C ASP A 39 -5.538 11.897 -6.451 1.00 0.00 C ATOM 556 O ASP A 39 -5.036 12.083 -7.558 1.00 0.00 O ATOM 557 CB ASP A 39 -7.820 12.852 -6.342 1.00 0.00 C ATOM 558 CG ASP A 39 -8.939 12.909 -7.384 1.00 0.00 C ATOM 559 OD1 ASP A 39 -8.756 12.281 -8.449 1.00 0.00 O ATOM 560 OD2 ASP A 39 -9.953 13.579 -7.092 1.00 0.00 O ATOM 0 H ASP A 39 -7.755 11.339 -4.368 1.00 0.00 H new ATOM 0 HA ASP A 39 -7.348 10.910 -7.144 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -8.255 13.011 -5.355 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -7.132 13.678 -6.524 1.00 0.00 H new ATOM 564 N GLN A 40 -4.879 11.976 -5.305 1.00 0.00 N ATOM 565 CA GLN A 40 -3.463 12.300 -5.277 1.00 0.00 C ATOM 566 C GLN A 40 -2.663 11.138 -4.685 1.00 0.00 C ATOM 567 O GLN A 40 -1.479 10.982 -4.976 1.00 0.00 O ATOM 568 CB GLN A 40 -3.212 13.592 -4.498 1.00 0.00 C ATOM 569 CG GLN A 40 -4.104 14.725 -5.010 1.00 0.00 C ATOM 570 CD GLN A 40 -4.669 15.545 -3.849 1.00 0.00 C ATOM 571 OE1 GLN A 40 -5.381 14.835 -2.980 1.00 0.00 O flip ATOM 572 NE2 GLN A 40 -4.472 16.745 -3.750 1.00 0.00 N flip ATOM 0 H GLN A 40 -5.299 11.821 -4.389 1.00 0.00 H new ATOM 0 HA GLN A 40 -3.127 12.461 -6.301 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -3.404 13.425 -3.438 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -2.165 13.879 -4.591 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -3.530 15.373 -5.672 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -4.922 14.311 -5.599 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -3.915 17.230 -4.453 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -4.864 17.263 -2.964 1.00 0.00 H new ATOM 579 N GLN A 41 -3.344 10.351 -3.864 1.00 0.00 N ATOM 580 CA GLN A 41 -2.712 9.208 -3.228 1.00 0.00 C ATOM 581 C GLN A 41 -2.097 8.287 -4.283 1.00 0.00 C ATOM 582 O GLN A 41 -2.630 8.156 -5.384 1.00 0.00 O ATOM 583 CB GLN A 41 -3.709 8.448 -2.351 1.00 0.00 C ATOM 584 CG GLN A 41 -4.345 9.376 -1.314 1.00 0.00 C ATOM 585 CD GLN A 41 -3.922 8.987 0.104 1.00 0.00 C ATOM 586 OE1 GLN A 41 -2.896 8.365 0.324 1.00 0.00 O ATOM 587 NE2 GLN A 41 -4.767 9.387 1.049 1.00 0.00 N ATOM 0 H GLN A 41 -4.327 10.483 -3.625 1.00 0.00 H new ATOM 0 HA GLN A 41 -1.914 9.572 -2.581 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -4.486 8.008 -2.976 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -3.202 7.626 -1.846 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -4.052 10.406 -1.515 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -5.431 9.331 -1.398 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -5.608 9.904 0.795 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -4.574 9.176 2.028 1.00 0.00 H new ATOM 594 N ARG A 42 -0.985 7.670 -3.909 1.00 0.00 N ATOM 595 CA ARG A 42 -0.292 6.765 -4.810 1.00 0.00 C ATOM 596 C ARG A 42 0.632 5.836 -4.021 1.00 0.00 C ATOM 597 O ARG A 42 1.759 6.205 -3.696 1.00 0.00 O ATOM 598 CB ARG A 42 0.533 7.538 -5.842 1.00 0.00 C ATOM 599 CG ARG A 42 1.098 6.597 -6.907 1.00 0.00 C ATOM 600 CD ARG A 42 1.184 7.296 -8.266 1.00 0.00 C ATOM 601 NE ARG A 42 0.084 6.836 -9.142 1.00 0.00 N ATOM 602 CZ ARG A 42 -0.036 7.171 -10.434 1.00 0.00 C ATOM 603 NH1 ARG A 42 0.875 7.969 -11.007 1.00 0.00 N ATOM 604 NH2 ARG A 42 -1.067 6.706 -11.153 1.00 0.00 N ATOM 0 H ARG A 42 -0.547 7.779 -2.994 1.00 0.00 H new ATOM 0 HA ARG A 42 -1.046 6.176 -5.333 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -0.089 8.297 -6.316 1.00 0.00 H new ATOM 0 HB3 ARG A 42 1.349 8.060 -5.343 1.00 0.00 H new ATOM 0 HG2 ARG A 42 2.088 6.255 -6.607 1.00 0.00 H new ATOM 0 HG3 ARG A 42 0.466 5.713 -6.988 1.00 0.00 H new ATOM 0 HD2 ARG A 42 1.126 8.376 -8.133 1.00 0.00 H new ATOM 0 HD3 ARG A 42 2.145 7.083 -8.733 1.00 0.00 H new ATOM 0 HE ARG A 42 -0.627 6.226 -8.738 1.00 0.00 H new ATOM 0 HH11 ARG A 42 1.660 8.322 -10.460 1.00 0.00 H new ATOM 0 HH12 ARG A 42 0.783 8.224 -11.990 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -1.760 6.098 -10.717 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -1.159 6.961 -12.136 1.00 0.00 H new ATOM 615 N LEU A 43 0.121 4.648 -3.734 1.00 0.00 N ATOM 616 CA LEU A 43 0.886 3.663 -2.989 1.00 0.00 C ATOM 617 C LEU A 43 1.877 2.975 -3.930 1.00 0.00 C ATOM 618 O LEU A 43 1.490 2.475 -4.986 1.00 0.00 O ATOM 619 CB LEU A 43 -0.050 2.693 -2.265 1.00 0.00 C ATOM 620 CG LEU A 43 0.291 2.400 -0.802 1.00 0.00 C ATOM 621 CD1 LEU A 43 0.607 3.689 -0.043 1.00 0.00 C ATOM 622 CD2 LEU A 43 -0.825 1.598 -0.131 1.00 0.00 C ATOM 0 H LEU A 43 -0.815 4.345 -4.004 1.00 0.00 H new ATOM 0 HA LEU A 43 1.472 4.147 -2.208 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.062 3.095 -2.308 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.058 1.750 -2.812 1.00 0.00 H new ATOM 0 HG LEU A 43 1.190 1.785 -0.777 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.846 3.452 0.994 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.459 4.185 -0.507 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.259 4.351 -0.074 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.559 1.403 0.908 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.754 2.167 -0.167 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.959 0.652 -0.655 1.00 0.00 H new ATOM 633 N ILE A 44 3.134 2.970 -3.515 1.00 0.00 N ATOM 634 CA ILE A 44 4.183 2.351 -4.308 1.00 0.00 C ATOM 635 C ILE A 44 5.090 1.527 -3.392 1.00 0.00 C ATOM 636 O ILE A 44 5.701 2.065 -2.469 1.00 0.00 O ATOM 637 CB ILE A 44 4.930 3.406 -5.126 1.00 0.00 C ATOM 638 CG1 ILE A 44 4.248 3.636 -6.476 1.00 0.00 C ATOM 639 CG2 ILE A 44 6.405 3.034 -5.285 1.00 0.00 C ATOM 640 CD1 ILE A 44 5.245 4.164 -7.510 1.00 0.00 C ATOM 0 H ILE A 44 3.451 3.385 -2.639 1.00 0.00 H new ATOM 0 HA ILE A 44 3.754 1.662 -5.036 1.00 0.00 H new ATOM 0 HB ILE A 44 4.893 4.350 -4.581 1.00 0.00 H new ATOM 0 HG12 ILE A 44 3.811 2.703 -6.830 1.00 0.00 H new ATOM 0 HG13 ILE A 44 3.430 4.347 -6.358 1.00 0.00 H new ATOM 0 HG21 ILE A 44 6.913 3.801 -5.870 1.00 0.00 H new ATOM 0 HG22 ILE A 44 6.870 2.961 -4.302 1.00 0.00 H new ATOM 0 HG23 ILE A 44 6.485 2.075 -5.796 1.00 0.00 H new ATOM 0 HD11 ILE A 44 4.735 4.319 -8.461 1.00 0.00 H new ATOM 0 HD12 ILE A 44 5.662 5.109 -7.163 1.00 0.00 H new ATOM 0 HD13 ILE A 44 6.049 3.440 -7.643 1.00 0.00 H new ATOM 651 N PHE A 45 5.150 0.235 -3.677 1.00 0.00 N ATOM 652 CA PHE A 45 5.973 -0.669 -2.891 1.00 0.00 C ATOM 653 C PHE A 45 7.322 -0.914 -3.571 1.00 0.00 C ATOM 654 O PHE A 45 7.388 -1.070 -4.788 1.00 0.00 O ATOM 655 CB PHE A 45 5.215 -1.994 -2.796 1.00 0.00 C ATOM 656 CG PHE A 45 5.779 -2.960 -1.751 1.00 0.00 C ATOM 657 CD1 PHE A 45 6.013 -2.528 -0.482 1.00 0.00 C ATOM 658 CD2 PHE A 45 6.048 -4.249 -2.091 1.00 0.00 C ATOM 659 CE1 PHE A 45 6.536 -3.424 0.487 1.00 0.00 C ATOM 660 CE2 PHE A 45 6.571 -5.145 -1.122 1.00 0.00 C ATOM 661 CZ PHE A 45 6.805 -4.713 0.148 1.00 0.00 C ATOM 0 H PHE A 45 4.642 -0.208 -4.442 1.00 0.00 H new ATOM 0 HA PHE A 45 6.165 -0.238 -1.908 1.00 0.00 H new ATOM 0 HB2 PHE A 45 4.171 -1.788 -2.559 1.00 0.00 H new ATOM 0 HB3 PHE A 45 5.230 -2.480 -3.771 1.00 0.00 H new ATOM 0 HD1 PHE A 45 5.801 -1.504 -0.212 1.00 0.00 H new ATOM 0 HD2 PHE A 45 5.864 -4.591 -3.099 1.00 0.00 H new ATOM 0 HE1 PHE A 45 6.720 -3.081 1.494 1.00 0.00 H new ATOM 0 HE2 PHE A 45 6.783 -6.169 -1.392 1.00 0.00 H new ATOM 0 HZ PHE A 45 7.204 -5.394 0.885 1.00 0.00 H new ATOM 670 N ALA A 46 8.364 -0.938 -2.753 1.00 0.00 N ATOM 671 CA ALA A 46 9.707 -1.162 -3.259 1.00 0.00 C ATOM 672 C ALA A 46 9.924 -0.311 -4.511 1.00 0.00 C ATOM 673 O ALA A 46 10.529 -0.767 -5.480 1.00 0.00 O ATOM 674 CB ALA A 46 9.911 -2.654 -3.526 1.00 0.00 C ATOM 0 H ALA A 46 8.305 -0.806 -1.743 1.00 0.00 H new ATOM 0 HA ALA A 46 10.450 -0.859 -2.521 1.00 0.00 H new ATOM 0 HB1 ALA A 46 10.919 -2.821 -3.906 1.00 0.00 H new ATOM 0 HB2 ALA A 46 9.775 -3.211 -2.599 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.184 -2.994 -4.264 1.00 0.00 H new ATOM 680 N GLY A 47 9.416 0.912 -4.452 1.00 0.00 N ATOM 681 CA GLY A 47 9.546 1.832 -5.569 1.00 0.00 C ATOM 682 C GLY A 47 8.970 1.224 -6.849 1.00 0.00 C ATOM 683 O GLY A 47 9.509 1.429 -7.936 1.00 0.00 O ATOM 0 H GLY A 47 8.913 1.287 -3.647 1.00 0.00 H new ATOM 0 HA2 GLY A 47 9.029 2.764 -5.340 1.00 0.00 H new ATOM 0 HA3 GLY A 47 10.597 2.080 -5.720 1.00 0.00 H new ATOM 687 N LYS A 48 7.882 0.487 -6.679 1.00 0.00 N ATOM 688 CA LYS A 48 7.227 -0.152 -7.807 1.00 0.00 C ATOM 689 C LYS A 48 5.750 0.246 -7.827 1.00 0.00 C ATOM 690 O LYS A 48 5.121 0.363 -6.777 1.00 0.00 O ATOM 691 CB LYS A 48 7.455 -1.665 -7.773 1.00 0.00 C ATOM 692 CG LYS A 48 6.133 -2.415 -7.602 1.00 0.00 C ATOM 693 CD LYS A 48 6.343 -3.926 -7.709 1.00 0.00 C ATOM 694 CE LYS A 48 7.070 -4.469 -6.476 1.00 0.00 C ATOM 695 NZ LYS A 48 8.094 -5.460 -6.872 1.00 0.00 N ATOM 0 H LYS A 48 7.438 0.318 -5.776 1.00 0.00 H new ATOM 0 HA LYS A 48 7.663 0.192 -8.745 1.00 0.00 H new ATOM 0 HB2 LYS A 48 7.941 -1.984 -8.695 1.00 0.00 H new ATOM 0 HB3 LYS A 48 8.129 -1.917 -6.954 1.00 0.00 H new ATOM 0 HG2 LYS A 48 5.696 -2.173 -6.633 1.00 0.00 H new ATOM 0 HG3 LYS A 48 5.424 -2.088 -8.363 1.00 0.00 H new ATOM 0 HD2 LYS A 48 5.379 -4.424 -7.816 1.00 0.00 H new ATOM 0 HD3 LYS A 48 6.920 -4.154 -8.605 1.00 0.00 H new ATOM 0 HE2 LYS A 48 7.540 -3.649 -5.933 1.00 0.00 H new ATOM 0 HE3 LYS A 48 6.352 -4.930 -5.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 8.577 -5.818 -6.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 7.638 -6.251 -7.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 8.788 -5.009 -7.502 1.00 0.00 H new ATOM 705 N GLN A 49 5.239 0.444 -9.033 1.00 0.00 N ATOM 706 CA GLN A 49 3.848 0.827 -9.204 1.00 0.00 C ATOM 707 C GLN A 49 2.926 -0.306 -8.746 1.00 0.00 C ATOM 708 O GLN A 49 3.116 -1.459 -9.130 1.00 0.00 O ATOM 709 CB GLN A 49 3.559 1.217 -10.655 1.00 0.00 C ATOM 710 CG GLN A 49 2.544 2.358 -10.724 1.00 0.00 C ATOM 711 CD GLN A 49 2.954 3.396 -11.771 1.00 0.00 C ATOM 712 OE1 GLN A 49 3.181 3.090 -12.930 1.00 0.00 O ATOM 713 NE2 GLN A 49 3.039 4.636 -11.299 1.00 0.00 N ATOM 0 H GLN A 49 5.764 0.346 -9.902 1.00 0.00 H new ATOM 0 HA GLN A 49 3.654 1.702 -8.583 1.00 0.00 H new ATOM 0 HB2 GLN A 49 4.485 1.519 -11.145 1.00 0.00 H new ATOM 0 HB3 GLN A 49 3.177 0.353 -11.199 1.00 0.00 H new ATOM 0 HG2 GLN A 49 1.560 1.959 -10.969 1.00 0.00 H new ATOM 0 HG3 GLN A 49 2.461 2.835 -9.747 1.00 0.00 H new ATOM 0 HE21 GLN A 49 2.835 4.823 -10.317 1.00 0.00 H new ATOM 0 HE22 GLN A 49 3.308 5.400 -11.919 1.00 0.00 H new ATOM 720 N LEU A 50 1.946 0.063 -7.934 1.00 0.00 N ATOM 721 CA LEU A 50 0.994 -0.908 -7.422 1.00 0.00 C ATOM 722 C LEU A 50 -0.255 -0.908 -8.306 1.00 0.00 C ATOM 723 O LEU A 50 -0.298 -0.221 -9.327 1.00 0.00 O ATOM 724 CB LEU A 50 0.700 -0.642 -5.944 1.00 0.00 C ATOM 725 CG LEU A 50 1.463 -1.511 -4.942 1.00 0.00 C ATOM 726 CD1 LEU A 50 2.815 -1.944 -5.510 1.00 0.00 C ATOM 727 CD2 LEU A 50 1.607 -0.797 -3.596 1.00 0.00 C ATOM 0 H LEU A 50 1.791 1.020 -7.618 1.00 0.00 H new ATOM 0 HA LEU A 50 1.415 -1.912 -7.465 1.00 0.00 H new ATOM 0 HB2 LEU A 50 0.923 0.404 -5.732 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.368 -0.780 -5.776 1.00 0.00 H new ATOM 0 HG LEU A 50 0.884 -2.418 -4.765 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.337 -2.560 -4.778 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.659 -2.519 -6.423 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.415 -1.062 -5.735 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.153 -1.436 -2.902 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.152 0.136 -3.736 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.618 -0.582 -3.190 1.00 0.00 H new ATOM 738 N GLU A 51 -1.240 -1.686 -7.884 1.00 0.00 N ATOM 739 CA GLU A 51 -2.486 -1.784 -8.625 1.00 0.00 C ATOM 740 C GLU A 51 -3.599 -2.321 -7.723 1.00 0.00 C ATOM 741 O GLU A 51 -3.347 -3.140 -6.841 1.00 0.00 O ATOM 742 CB GLU A 51 -2.317 -2.659 -9.868 1.00 0.00 C ATOM 743 CG GLU A 51 -1.960 -1.812 -11.091 1.00 0.00 C ATOM 744 CD GLU A 51 -2.451 -2.474 -12.380 1.00 0.00 C ATOM 745 OE1 GLU A 51 -2.026 -3.624 -12.625 1.00 0.00 O ATOM 746 OE2 GLU A 51 -3.241 -1.816 -13.091 1.00 0.00 O ATOM 0 H GLU A 51 -1.201 -2.255 -7.038 1.00 0.00 H new ATOM 0 HA GLU A 51 -2.767 -0.785 -8.960 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -1.536 -3.399 -9.693 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -3.239 -3.208 -10.058 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -2.405 -0.822 -10.994 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -0.880 -1.673 -11.138 1.00 0.00 H new ATOM 751 N ASP A 52 -4.807 -1.838 -7.975 1.00 0.00 N ATOM 752 CA ASP A 52 -5.960 -2.259 -7.197 1.00 0.00 C ATOM 753 C ASP A 52 -6.366 -3.672 -7.620 1.00 0.00 C ATOM 754 O ASP A 52 -7.265 -4.267 -7.028 1.00 0.00 O ATOM 755 CB ASP A 52 -7.154 -1.333 -7.435 1.00 0.00 C ATOM 756 CG ASP A 52 -7.631 -1.253 -8.887 1.00 0.00 C ATOM 757 OD1 ASP A 52 -8.285 -2.224 -9.323 1.00 0.00 O ATOM 758 OD2 ASP A 52 -7.330 -0.222 -9.527 1.00 0.00 O ATOM 0 H ASP A 52 -5.012 -1.159 -8.708 1.00 0.00 H new ATOM 0 HA ASP A 52 -5.685 -2.228 -6.143 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -7.984 -1.668 -6.814 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -6.889 -0.330 -7.099 1.00 0.00 H new ATOM 762 N GLY A 53 -5.684 -4.169 -8.641 1.00 0.00 N ATOM 763 CA GLY A 53 -5.962 -5.501 -9.150 1.00 0.00 C ATOM 764 C GLY A 53 -5.003 -6.530 -8.549 1.00 0.00 C ATOM 765 O GLY A 53 -5.327 -7.714 -8.468 1.00 0.00 O ATOM 0 H GLY A 53 -4.939 -3.673 -9.130 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -6.990 -5.776 -8.915 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -5.871 -5.505 -10.236 1.00 0.00 H new ATOM 769 N ARG A 54 -3.841 -6.041 -8.142 1.00 0.00 N ATOM 770 CA ARG A 54 -2.832 -6.903 -7.551 1.00 0.00 C ATOM 771 C ARG A 54 -3.167 -7.184 -6.084 1.00 0.00 C ATOM 772 O ARG A 54 -4.255 -6.849 -5.618 1.00 0.00 O ATOM 773 CB ARG A 54 -1.443 -6.265 -7.637 1.00 0.00 C ATOM 774 CG ARG A 54 -0.651 -6.833 -8.816 1.00 0.00 C ATOM 775 CD ARG A 54 -0.299 -8.304 -8.583 1.00 0.00 C ATOM 776 NE ARG A 54 1.161 -8.451 -8.397 1.00 0.00 N ATOM 777 CZ ARG A 54 2.060 -8.335 -9.383 1.00 0.00 C ATOM 778 NH1 ARG A 54 1.653 -8.069 -10.632 1.00 0.00 N ATOM 779 NH2 ARG A 54 3.366 -8.484 -9.122 1.00 0.00 N ATOM 0 H ARG A 54 -3.576 -5.058 -8.210 1.00 0.00 H new ATOM 0 HA ARG A 54 -2.825 -7.838 -8.111 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -1.541 -5.185 -7.747 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -0.899 -6.443 -6.709 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -1.235 -6.736 -9.731 1.00 0.00 H new ATOM 0 HG3 ARG A 54 0.262 -6.255 -8.957 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -0.825 -8.678 -7.705 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -0.628 -8.904 -9.431 1.00 0.00 H new ATOM 0 HE ARG A 54 1.505 -8.654 -7.458 1.00 0.00 H new ATOM 0 HH11 ARG A 54 0.659 -7.955 -10.831 1.00 0.00 H new ATOM 0 HH12 ARG A 54 2.337 -7.981 -11.383 1.00 0.00 H new ATOM 0 HH21 ARG A 54 3.676 -8.686 -8.172 1.00 0.00 H new ATOM 0 HH22 ARG A 54 4.050 -8.395 -9.874 1.00 0.00 H new ATOM 790 N THR A 55 -2.213 -7.796 -5.399 1.00 0.00 N ATOM 791 CA THR A 55 -2.393 -8.125 -3.996 1.00 0.00 C ATOM 792 C THR A 55 -1.040 -8.185 -3.284 1.00 0.00 C ATOM 793 O THR A 55 -0.005 -8.367 -3.923 1.00 0.00 O ATOM 794 CB THR A 55 -3.180 -9.435 -3.915 1.00 0.00 C ATOM 795 OG1 THR A 55 -2.987 -10.036 -5.192 1.00 0.00 O ATOM 796 CG2 THR A 55 -4.691 -9.206 -3.836 1.00 0.00 C ATOM 0 H THR A 55 -1.312 -8.073 -5.790 1.00 0.00 H new ATOM 0 HA THR A 55 -2.963 -7.353 -3.479 1.00 0.00 H new ATOM 0 HB THR A 55 -2.852 -10.002 -3.043 1.00 0.00 H new ATOM 0 HG1 THR A 55 -2.801 -10.992 -5.079 1.00 0.00 H new ATOM 0 HG21 THR A 55 -5.202 -10.167 -3.780 1.00 0.00 H new ATOM 0 HG22 THR A 55 -4.924 -8.619 -2.948 1.00 0.00 H new ATOM 0 HG23 THR A 55 -5.024 -8.669 -4.724 1.00 0.00 H new ATOM 804 N LEU A 56 -1.092 -8.026 -1.969 1.00 0.00 N ATOM 805 CA LEU A 56 0.117 -8.059 -1.164 1.00 0.00 C ATOM 806 C LEU A 56 0.834 -9.393 -1.381 1.00 0.00 C ATOM 807 O LEU A 56 2.017 -9.418 -1.714 1.00 0.00 O ATOM 808 CB LEU A 56 -0.210 -7.768 0.303 1.00 0.00 C ATOM 809 CG LEU A 56 -1.370 -6.804 0.554 1.00 0.00 C ATOM 810 CD1 LEU A 56 -1.409 -6.360 2.018 1.00 0.00 C ATOM 811 CD2 LEU A 56 -1.309 -5.612 -0.404 1.00 0.00 C ATOM 0 H LEU A 56 -1.952 -7.874 -1.442 1.00 0.00 H new ATOM 0 HA LEU A 56 0.805 -7.273 -1.477 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -0.435 -8.712 0.798 1.00 0.00 H new ATOM 0 HB3 LEU A 56 0.682 -7.363 0.780 1.00 0.00 H new ATOM 0 HG LEU A 56 -2.302 -7.333 0.353 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -2.243 -5.675 2.168 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -1.535 -7.232 2.659 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.476 -5.856 2.270 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -2.145 -4.942 -0.204 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.371 -5.076 -0.258 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -1.367 -5.968 -1.432 1.00 0.00 H new ATOM 822 N SER A 57 0.085 -10.469 -1.185 1.00 0.00 N ATOM 823 CA SER A 57 0.635 -11.803 -1.356 1.00 0.00 C ATOM 824 C SER A 57 1.114 -11.991 -2.796 1.00 0.00 C ATOM 825 O SER A 57 1.895 -12.898 -3.081 1.00 0.00 O ATOM 826 CB SER A 57 -0.397 -12.874 -0.996 1.00 0.00 C ATOM 827 OG SER A 57 -1.487 -12.895 -1.914 1.00 0.00 O ATOM 0 H SER A 57 -0.897 -10.444 -0.910 1.00 0.00 H new ATOM 0 HA SER A 57 1.484 -11.912 -0.681 1.00 0.00 H new ATOM 0 HB2 SER A 57 0.085 -13.852 -0.983 1.00 0.00 H new ATOM 0 HB3 SER A 57 -0.774 -12.691 0.010 1.00 0.00 H new ATOM 0 HG SER A 57 -2.203 -12.313 -1.584 1.00 0.00 H new ATOM 832 N ASP A 58 0.628 -11.119 -3.667 1.00 0.00 N ATOM 833 CA ASP A 58 0.997 -11.177 -5.071 1.00 0.00 C ATOM 834 C ASP A 58 2.213 -10.281 -5.311 1.00 0.00 C ATOM 835 O ASP A 58 2.983 -10.509 -6.243 1.00 0.00 O ATOM 836 CB ASP A 58 -0.142 -10.678 -5.961 1.00 0.00 C ATOM 837 CG ASP A 58 -0.942 -11.777 -6.666 1.00 0.00 C ATOM 838 OD1 ASP A 58 -0.374 -12.378 -7.603 1.00 0.00 O ATOM 839 OD2 ASP A 58 -2.101 -11.989 -6.251 1.00 0.00 O ATOM 0 H ASP A 58 -0.019 -10.368 -3.427 1.00 0.00 H new ATOM 0 HA ASP A 58 1.219 -12.215 -5.319 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -0.825 -10.086 -5.353 1.00 0.00 H new ATOM 0 HB3 ASP A 58 0.273 -10.010 -6.716 1.00 0.00 H new ATOM 843 N TYR A 59 2.347 -9.278 -4.456 1.00 0.00 N ATOM 844 CA TYR A 59 3.457 -8.345 -4.564 1.00 0.00 C ATOM 845 C TYR A 59 4.594 -8.733 -3.617 1.00 0.00 C ATOM 846 O TYR A 59 5.508 -7.944 -3.382 1.00 0.00 O ATOM 847 CB TYR A 59 2.903 -6.981 -4.147 1.00 0.00 C ATOM 848 CG TYR A 59 2.307 -6.172 -5.300 1.00 0.00 C ATOM 849 CD1 TYR A 59 2.935 -6.155 -6.528 1.00 0.00 C ATOM 850 CD2 TYR A 59 1.140 -5.458 -5.112 1.00 0.00 C ATOM 851 CE1 TYR A 59 2.374 -5.393 -7.614 1.00 0.00 C ATOM 852 CE2 TYR A 59 0.579 -4.697 -6.197 1.00 0.00 C ATOM 853 CZ TYR A 59 1.223 -4.702 -7.394 1.00 0.00 C ATOM 854 OH TYR A 59 0.692 -3.982 -8.420 1.00 0.00 O ATOM 0 H TYR A 59 1.706 -9.091 -3.685 1.00 0.00 H new ATOM 0 HA TYR A 59 3.858 -8.341 -5.578 1.00 0.00 H new ATOM 0 HB2 TYR A 59 2.136 -7.129 -3.386 1.00 0.00 H new ATOM 0 HB3 TYR A 59 3.702 -6.401 -3.685 1.00 0.00 H new ATOM 0 HD1 TYR A 59 3.848 -6.713 -6.675 1.00 0.00 H new ATOM 0 HD2 TYR A 59 0.648 -5.471 -4.151 1.00 0.00 H new ATOM 0 HE1 TYR A 59 2.856 -5.371 -8.580 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -0.333 -4.135 -6.063 1.00 0.00 H new ATOM 0 HH TYR A 59 1.108 -4.258 -9.263 1.00 0.00 H new ATOM 863 N ASN A 60 4.500 -9.948 -3.098 1.00 0.00 N ATOM 864 CA ASN A 60 5.509 -10.451 -2.181 1.00 0.00 C ATOM 865 C ASN A 60 5.520 -9.586 -0.918 1.00 0.00 C ATOM 866 O ASN A 60 6.448 -9.666 -0.115 1.00 0.00 O ATOM 867 CB ASN A 60 6.903 -10.388 -2.808 1.00 0.00 C ATOM 868 CG ASN A 60 7.971 -10.852 -1.816 1.00 0.00 C ATOM 869 OD1 ASN A 60 8.680 -9.861 -1.283 1.00 0.00 O flip ATOM 870 ND2 ASN A 60 8.141 -12.031 -1.553 1.00 0.00 N flip ATOM 0 H ASN A 60 3.740 -10.599 -3.295 1.00 0.00 H new ATOM 0 HA ASN A 60 5.265 -11.487 -1.946 1.00 0.00 H new ATOM 0 HB2 ASN A 60 6.933 -11.014 -3.700 1.00 0.00 H new ATOM 0 HB3 ASN A 60 7.116 -9.368 -3.127 1.00 0.00 H new ATOM 0 HD21 ASN A 60 7.561 -12.742 -1.999 1.00 0.00 H new ATOM 0 HD22 ASN A 60 8.863 -12.306 -0.887 1.00 0.00 H new ATOM 876 N ILE A 61 4.477 -8.780 -0.782 1.00 0.00 N ATOM 877 CA ILE A 61 4.355 -7.901 0.369 1.00 0.00 C ATOM 878 C ILE A 61 4.229 -8.746 1.638 1.00 0.00 C ATOM 879 O ILE A 61 3.386 -9.639 1.712 1.00 0.00 O ATOM 880 CB ILE A 61 3.203 -6.914 0.170 1.00 0.00 C ATOM 881 CG1 ILE A 61 3.599 -5.799 -0.801 1.00 0.00 C ATOM 882 CG2 ILE A 61 2.717 -6.361 1.511 1.00 0.00 C ATOM 883 CD1 ILE A 61 2.385 -4.949 -1.182 1.00 0.00 C ATOM 0 H ILE A 61 3.709 -8.717 -1.450 1.00 0.00 H new ATOM 0 HA ILE A 61 5.251 -7.290 0.479 1.00 0.00 H new ATOM 0 HB ILE A 61 2.367 -7.450 -0.279 1.00 0.00 H new ATOM 0 HG12 ILE A 61 4.361 -5.167 -0.344 1.00 0.00 H new ATOM 0 HG13 ILE A 61 4.040 -6.233 -1.698 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.898 -5.662 1.341 1.00 0.00 H new ATOM 0 HG22 ILE A 61 2.369 -7.182 2.138 1.00 0.00 H new ATOM 0 HG23 ILE A 61 3.537 -5.845 2.010 1.00 0.00 H new ATOM 0 HD11 ILE A 61 2.693 -4.164 -1.873 1.00 0.00 H new ATOM 0 HD12 ILE A 61 1.635 -5.579 -1.660 1.00 0.00 H new ATOM 0 HD13 ILE A 61 1.961 -4.498 -0.285 1.00 0.00 H new ATOM 894 N GLN A 62 5.079 -8.434 2.605 1.00 0.00 N ATOM 895 CA GLN A 62 5.073 -9.154 3.868 1.00 0.00 C ATOM 896 C GLN A 62 4.950 -8.173 5.036 1.00 0.00 C ATOM 897 O GLN A 62 5.357 -7.018 4.928 1.00 0.00 O ATOM 898 CB GLN A 62 6.324 -10.022 4.010 1.00 0.00 C ATOM 899 CG GLN A 62 6.281 -11.208 3.044 1.00 0.00 C ATOM 900 CD GLN A 62 6.132 -12.527 3.804 1.00 0.00 C ATOM 901 OE1 GLN A 62 7.089 -13.239 4.058 1.00 0.00 O ATOM 902 NE2 GLN A 62 4.880 -12.814 4.149 1.00 0.00 N ATOM 0 H GLN A 62 5.777 -7.693 2.540 1.00 0.00 H new ATOM 0 HA GLN A 62 4.208 -9.817 3.883 1.00 0.00 H new ATOM 0 HB2 GLN A 62 7.212 -9.421 3.814 1.00 0.00 H new ATOM 0 HB3 GLN A 62 6.404 -10.385 5.034 1.00 0.00 H new ATOM 0 HG2 GLN A 62 5.449 -11.087 2.351 1.00 0.00 H new ATOM 0 HG3 GLN A 62 7.193 -11.229 2.447 1.00 0.00 H new ATOM 0 HE21 GLN A 62 4.124 -12.174 3.905 1.00 0.00 H new ATOM 0 HE22 GLN A 62 4.676 -13.674 4.657 1.00 0.00 H new ATOM 909 N LYS A 63 4.386 -8.671 6.127 1.00 0.00 N ATOM 910 CA LYS A 63 4.204 -7.854 7.315 1.00 0.00 C ATOM 911 C LYS A 63 5.439 -6.974 7.518 1.00 0.00 C ATOM 912 O LYS A 63 6.566 -7.420 7.301 1.00 0.00 O ATOM 913 CB LYS A 63 3.868 -8.731 8.523 1.00 0.00 C ATOM 914 CG LYS A 63 5.047 -9.637 8.887 1.00 0.00 C ATOM 915 CD LYS A 63 4.740 -11.097 8.549 1.00 0.00 C ATOM 916 CE LYS A 63 4.023 -11.789 9.711 1.00 0.00 C ATOM 917 NZ LYS A 63 2.943 -12.665 9.204 1.00 0.00 N ATOM 0 H LYS A 63 4.049 -9.630 6.213 1.00 0.00 H new ATOM 0 HA LYS A 63 3.353 -7.185 7.190 1.00 0.00 H new ATOM 0 HB2 LYS A 63 3.612 -8.101 9.375 1.00 0.00 H new ATOM 0 HB3 LYS A 63 2.991 -9.340 8.302 1.00 0.00 H new ATOM 0 HG2 LYS A 63 5.938 -9.315 8.348 1.00 0.00 H new ATOM 0 HG3 LYS A 63 5.267 -9.544 9.951 1.00 0.00 H new ATOM 0 HD2 LYS A 63 4.120 -11.144 7.654 1.00 0.00 H new ATOM 0 HD3 LYS A 63 5.667 -11.624 8.323 1.00 0.00 H new ATOM 0 HE2 LYS A 63 4.736 -12.378 10.288 1.00 0.00 H new ATOM 0 HE3 LYS A 63 3.607 -11.042 10.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 2.466 -13.127 10.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 2.254 -12.095 8.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 3.349 -13.389 8.578 1.00 0.00 H new ATOM 927 N GLU A 64 5.187 -5.741 7.931 1.00 0.00 N ATOM 928 CA GLU A 64 6.265 -4.796 8.166 1.00 0.00 C ATOM 929 C GLU A 64 6.799 -4.259 6.836 1.00 0.00 C ATOM 930 O GLU A 64 8.000 -4.040 6.688 1.00 0.00 O ATOM 931 CB GLU A 64 7.386 -5.434 8.988 1.00 0.00 C ATOM 932 CG GLU A 64 6.822 -6.156 10.215 1.00 0.00 C ATOM 933 CD GLU A 64 7.643 -7.406 10.539 1.00 0.00 C ATOM 934 OE1 GLU A 64 8.886 -7.281 10.554 1.00 0.00 O ATOM 935 OE2 GLU A 64 7.007 -8.459 10.766 1.00 0.00 O ATOM 0 H GLU A 64 4.252 -5.374 8.109 1.00 0.00 H new ATOM 0 HA GLU A 64 5.869 -3.960 8.742 1.00 0.00 H new ATOM 0 HB2 GLU A 64 7.940 -6.140 8.369 1.00 0.00 H new ATOM 0 HB3 GLU A 64 8.092 -4.666 9.305 1.00 0.00 H new ATOM 0 HG2 GLU A 64 6.825 -5.482 11.072 1.00 0.00 H new ATOM 0 HG3 GLU A 64 5.784 -6.435 10.033 1.00 0.00 H new ATOM 940 N SER A 65 5.880 -4.063 5.901 1.00 0.00 N ATOM 941 CA SER A 65 6.243 -3.556 4.589 1.00 0.00 C ATOM 942 C SER A 65 5.893 -2.070 4.486 1.00 0.00 C ATOM 943 O SER A 65 4.737 -1.688 4.663 1.00 0.00 O ATOM 944 CB SER A 65 5.542 -4.344 3.481 1.00 0.00 C ATOM 945 OG SER A 65 4.413 -5.063 3.969 1.00 0.00 O ATOM 0 H SER A 65 4.885 -4.246 6.027 1.00 0.00 H new ATOM 0 HA SER A 65 7.318 -3.679 4.461 1.00 0.00 H new ATOM 0 HB2 SER A 65 5.223 -3.659 2.695 1.00 0.00 H new ATOM 0 HB3 SER A 65 6.248 -5.041 3.030 1.00 0.00 H new ATOM 0 HG SER A 65 4.643 -6.011 4.060 1.00 0.00 H new ATOM 950 N THR A 66 6.912 -1.273 4.202 1.00 0.00 N ATOM 951 CA THR A 66 6.726 0.163 4.074 1.00 0.00 C ATOM 952 C THR A 66 6.474 0.539 2.612 1.00 0.00 C ATOM 953 O THR A 66 7.294 0.251 1.743 1.00 0.00 O ATOM 954 CB THR A 66 7.951 0.853 4.677 1.00 0.00 C ATOM 955 OG1 THR A 66 8.081 0.265 5.967 1.00 0.00 O ATOM 956 CG2 THR A 66 7.704 2.335 4.967 1.00 0.00 C ATOM 0 H THR A 66 7.869 -1.594 4.057 1.00 0.00 H new ATOM 0 HA THR A 66 5.844 0.499 4.620 1.00 0.00 H new ATOM 0 HB THR A 66 8.796 0.752 3.996 1.00 0.00 H new ATOM 0 HG1 THR A 66 8.853 0.655 6.428 1.00 0.00 H new ATOM 0 HG21 THR A 66 8.604 2.777 5.394 1.00 0.00 H new ATOM 0 HG22 THR A 66 7.451 2.850 4.040 1.00 0.00 H new ATOM 0 HG23 THR A 66 6.880 2.435 5.674 1.00 0.00 H new ATOM 964 N LEU A 67 5.335 1.177 2.387 1.00 0.00 N ATOM 965 CA LEU A 67 4.964 1.597 1.046 1.00 0.00 C ATOM 966 C LEU A 67 5.498 3.007 0.792 1.00 0.00 C ATOM 967 O LEU A 67 6.204 3.568 1.629 1.00 0.00 O ATOM 968 CB LEU A 67 3.453 1.465 0.843 1.00 0.00 C ATOM 969 CG LEU A 67 2.889 0.045 0.904 1.00 0.00 C ATOM 970 CD1 LEU A 67 2.663 -0.517 -0.501 1.00 0.00 C ATOM 971 CD2 LEU A 67 3.784 -0.865 1.748 1.00 0.00 C ATOM 0 H LEU A 67 4.656 1.413 3.111 1.00 0.00 H new ATOM 0 HA LEU A 67 5.421 0.945 0.302 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.951 2.067 1.601 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.198 1.894 -0.126 1.00 0.00 H new ATOM 0 HG LEU A 67 1.916 0.085 1.395 1.00 0.00 H new ATOM 0 HD11 LEU A 67 2.262 -1.528 -0.428 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.956 0.116 -1.037 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.610 -0.541 -1.040 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.360 -1.869 1.775 1.00 0.00 H new ATOM 0 HD22 LEU A 67 4.781 -0.904 1.309 1.00 0.00 H new ATOM 0 HD23 LEU A 67 3.850 -0.472 2.762 1.00 0.00 H new ATOM 982 N HIS A 68 5.142 3.540 -0.368 1.00 0.00 N ATOM 983 CA HIS A 68 5.577 4.874 -0.744 1.00 0.00 C ATOM 984 C HIS A 68 4.375 5.692 -1.219 1.00 0.00 C ATOM 985 O HIS A 68 3.829 5.434 -2.292 1.00 0.00 O ATOM 986 CB HIS A 68 6.698 4.808 -1.783 1.00 0.00 C ATOM 987 CG HIS A 68 8.024 4.344 -1.228 1.00 0.00 C ATOM 988 ND1 HIS A 68 8.340 3.255 -0.470 1.00 0.00 N flip ATOM 989 CD2 HIS A 68 9.205 5.033 -1.436 1.00 0.00 C flip ATOM 990 CE1 HIS A 68 9.646 3.277 -0.230 1.00 0.00 C flip ATOM 991 NE2 HIS A 68 10.184 4.378 -0.828 1.00 0.00 N flip ATOM 0 H HIS A 68 4.557 3.072 -1.060 1.00 0.00 H new ATOM 0 HA HIS A 68 5.996 5.381 0.125 1.00 0.00 H new ATOM 0 HB2 HIS A 68 6.396 4.135 -2.586 1.00 0.00 H new ATOM 0 HB3 HIS A 68 6.827 5.795 -2.226 1.00 0.00 H new ATOM 0 HD2 HIS A 68 9.311 5.949 -1.998 1.00 0.00 H new ATOM 0 HE1 HIS A 68 10.192 2.543 0.344 1.00 0.00 H new ATOM 0 HE2 HIS A 68 11.167 4.650 -0.811 1.00 0.00 H new ATOM 998 N LEU A 69 3.997 6.661 -0.399 1.00 0.00 N ATOM 999 CA LEU A 69 2.868 7.518 -0.723 1.00 0.00 C ATOM 1000 C LEU A 69 3.369 8.751 -1.478 1.00 0.00 C ATOM 1001 O LEU A 69 4.137 9.545 -0.936 1.00 0.00 O ATOM 1002 CB LEU A 69 2.068 7.851 0.538 1.00 0.00 C ATOM 1003 CG LEU A 69 0.935 8.864 0.365 1.00 0.00 C ATOM 1004 CD1 LEU A 69 0.187 8.631 -0.949 1.00 0.00 C ATOM 1005 CD2 LEU A 69 -0.007 8.842 1.571 1.00 0.00 C ATOM 0 H LEU A 69 4.452 6.872 0.489 1.00 0.00 H new ATOM 0 HA LEU A 69 2.174 6.999 -1.384 1.00 0.00 H new ATOM 0 HB2 LEU A 69 1.645 6.926 0.931 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.757 8.232 1.292 1.00 0.00 H new ATOM 0 HG LEU A 69 1.373 9.861 0.314 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.613 9.365 -1.047 1.00 0.00 H new ATOM 0 HD12 LEU A 69 0.879 8.735 -1.785 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.238 7.627 -0.953 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.804 9.571 1.424 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.440 7.847 1.676 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.551 9.092 2.473 1.00 0.00 H new ATOM 1016 N VAL A 70 2.915 8.873 -2.716 1.00 0.00 N ATOM 1017 CA VAL A 70 3.308 9.996 -3.550 1.00 0.00 C ATOM 1018 C VAL A 70 2.060 10.626 -4.171 1.00 0.00 C ATOM 1019 O VAL A 70 0.957 10.100 -4.027 1.00 0.00 O ATOM 1020 CB VAL A 70 4.330 9.540 -4.594 1.00 0.00 C ATOM 1021 CG1 VAL A 70 5.666 9.192 -3.937 1.00 0.00 C ATOM 1022 CG2 VAL A 70 3.794 8.361 -5.408 1.00 0.00 C ATOM 0 H VAL A 70 2.278 8.213 -3.162 1.00 0.00 H new ATOM 0 HA VAL A 70 3.796 10.764 -2.951 1.00 0.00 H new ATOM 0 HB VAL A 70 4.501 10.369 -5.280 1.00 0.00 H new ATOM 0 HG11 VAL A 70 6.374 8.871 -4.701 1.00 0.00 H new ATOM 0 HG12 VAL A 70 6.059 10.070 -3.424 1.00 0.00 H new ATOM 0 HG13 VAL A 70 5.519 8.387 -3.217 1.00 0.00 H new ATOM 0 HG21 VAL A 70 4.540 8.057 -6.142 1.00 0.00 H new ATOM 0 HG22 VAL A 70 3.580 7.526 -4.741 1.00 0.00 H new ATOM 0 HG23 VAL A 70 2.880 8.659 -5.921 1.00 0.00 H new ATOM 1032 N LEU A 71 2.274 11.745 -4.848 1.00 0.00 N ATOM 1033 CA LEU A 71 1.180 12.452 -5.491 1.00 0.00 C ATOM 1034 C LEU A 71 0.938 11.854 -6.878 1.00 0.00 C ATOM 1035 O LEU A 71 1.552 10.853 -7.243 1.00 0.00 O ATOM 1036 CB LEU A 71 1.452 13.958 -5.509 1.00 0.00 C ATOM 1037 CG LEU A 71 0.522 14.818 -4.651 1.00 0.00 C ATOM 1038 CD1 LEU A 71 0.217 14.134 -3.317 1.00 0.00 C ATOM 1039 CD2 LEU A 71 1.097 16.222 -4.457 1.00 0.00 C ATOM 0 H LEU A 71 3.189 12.179 -4.965 1.00 0.00 H new ATOM 0 HA LEU A 71 0.258 12.325 -4.923 1.00 0.00 H new ATOM 0 HB2 LEU A 71 2.477 14.126 -5.179 1.00 0.00 H new ATOM 0 HB3 LEU A 71 1.388 14.306 -6.540 1.00 0.00 H new ATOM 0 HG LEU A 71 -0.425 14.928 -5.180 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -0.446 14.767 -2.727 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -0.267 13.175 -3.502 1.00 0.00 H new ATOM 0 HD13 LEU A 71 1.146 13.972 -2.770 1.00 0.00 H new ATOM 0 HD21 LEU A 71 0.416 16.812 -3.844 1.00 0.00 H new ATOM 0 HD22 LEU A 71 2.065 16.153 -3.961 1.00 0.00 H new ATOM 0 HD23 LEU A 71 1.220 16.702 -5.428 1.00 0.00 H new ATOM 1050 N ARG A 72 0.040 12.494 -7.614 1.00 0.00 N ATOM 1051 CA ARG A 72 -0.290 12.038 -8.954 1.00 0.00 C ATOM 1052 C ARG A 72 -0.534 13.234 -9.877 1.00 0.00 C ATOM 1053 O ARG A 72 -0.525 14.380 -9.429 1.00 0.00 O ATOM 1054 CB ARG A 72 -1.536 11.150 -8.940 1.00 0.00 C ATOM 1055 CG ARG A 72 -1.161 9.677 -9.119 1.00 0.00 C ATOM 1056 CD ARG A 72 -2.404 8.822 -9.375 1.00 0.00 C ATOM 1057 NE ARG A 72 -2.372 7.614 -8.522 1.00 0.00 N ATOM 1058 CZ ARG A 72 -3.120 6.523 -8.735 1.00 0.00 C ATOM 1059 NH1 ARG A 72 -3.963 6.482 -9.775 1.00 0.00 N ATOM 1060 NH2 ARG A 72 -3.025 5.473 -7.908 1.00 0.00 N ATOM 0 H ARG A 72 -0.469 13.324 -7.308 1.00 0.00 H new ATOM 0 HA ARG A 72 0.554 11.456 -9.325 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -2.070 11.281 -7.999 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -2.214 11.456 -9.737 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -0.466 9.574 -9.952 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -0.646 9.318 -8.228 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -3.303 9.401 -9.166 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -2.448 8.534 -10.425 1.00 0.00 H new ATOM 0 HE ARG A 72 -1.741 7.611 -7.721 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -4.035 7.281 -10.405 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -4.533 5.652 -9.937 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -2.383 5.504 -7.116 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -3.595 4.643 -8.071 1.00 0.00 H new ATOM 1071 N LEU A 73 -0.747 12.926 -11.147 1.00 0.00 N ATOM 1072 CA LEU A 73 -0.993 13.961 -12.137 1.00 0.00 C ATOM 1073 C LEU A 73 -0.131 15.185 -11.814 1.00 0.00 C ATOM 1074 O LEU A 73 0.944 15.054 -11.232 1.00 0.00 O ATOM 1075 CB LEU A 73 -2.489 14.271 -12.229 1.00 0.00 C ATOM 1076 CG LEU A 73 -3.070 14.359 -13.641 1.00 0.00 C ATOM 1077 CD1 LEU A 73 -2.191 15.228 -14.542 1.00 0.00 C ATOM 1078 CD2 LEU A 73 -3.294 12.965 -14.230 1.00 0.00 C ATOM 0 H LEU A 73 -0.754 11.974 -11.514 1.00 0.00 H new ATOM 0 HA LEU A 73 -0.701 13.616 -13.129 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -3.033 13.502 -11.681 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -2.676 15.217 -11.721 1.00 0.00 H new ATOM 0 HG LEU A 73 -4.045 14.842 -13.580 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -2.627 15.274 -15.540 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -2.127 16.234 -14.127 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -1.192 14.796 -14.602 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -3.708 13.057 -15.234 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -2.344 12.432 -14.276 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -3.990 12.411 -13.600 1.00 0.00 H new ATOM 1089 N ARG A 74 -0.636 16.345 -12.208 1.00 0.00 N ATOM 1090 CA ARG A 74 0.075 17.590 -11.969 1.00 0.00 C ATOM 1091 C ARG A 74 -0.766 18.520 -11.093 1.00 0.00 C ATOM 1092 O ARG A 74 -1.974 18.327 -10.956 1.00 0.00 O ATOM 1093 CB ARG A 74 0.404 18.298 -13.284 1.00 0.00 C ATOM 1094 CG ARG A 74 -0.870 18.780 -13.981 1.00 0.00 C ATOM 1095 CD ARG A 74 -0.545 19.801 -15.072 1.00 0.00 C ATOM 1096 NE ARG A 74 -1.777 20.164 -15.809 1.00 0.00 N ATOM 1097 CZ ARG A 74 -1.895 21.250 -16.586 1.00 0.00 C ATOM 1098 NH1 ARG A 74 -0.858 22.086 -16.731 1.00 0.00 N ATOM 1099 NH2 ARG A 74 -3.051 21.500 -17.216 1.00 0.00 N ATOM 0 H ARG A 74 -1.528 16.449 -12.691 1.00 0.00 H new ATOM 0 HA ARG A 74 1.007 17.347 -11.458 1.00 0.00 H new ATOM 0 HB2 ARG A 74 1.060 19.147 -13.090 1.00 0.00 H new ATOM 0 HB3 ARG A 74 0.947 17.619 -13.941 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -1.394 17.930 -14.418 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -1.543 19.227 -13.249 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -0.102 20.692 -14.627 1.00 0.00 H new ATOM 0 HD3 ARG A 74 0.192 19.388 -15.760 1.00 0.00 H new ATOM 0 HE ARG A 74 -2.586 19.549 -15.720 1.00 0.00 H new ATOM 0 HH11 ARG A 74 0.021 21.896 -16.250 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -0.948 22.912 -17.322 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -3.841 20.864 -17.104 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -3.141 22.326 -17.807 1.00 0.00 H new ATOM 1110 N GLY A 75 -0.095 19.509 -10.521 1.00 0.00 N ATOM 1111 CA GLY A 75 -0.765 20.471 -9.662 1.00 0.00 C ATOM 1112 C GLY A 75 -1.086 21.757 -10.425 1.00 0.00 C ATOM 1113 O GLY A 75 -2.253 22.112 -10.587 1.00 0.00 O ATOM 0 H GLY A 75 0.906 19.665 -10.636 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -1.685 20.036 -9.272 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -0.132 20.701 -8.805 1.00 0.00 H new ATOM 1117 N GLY A 76 -0.031 22.421 -10.873 1.00 0.00 N ATOM 1118 CA GLY A 76 -0.187 23.660 -11.615 1.00 0.00 C ATOM 1119 C GLY A 76 1.110 24.031 -12.340 1.00 0.00 C ATOM 1120 O GLY A 76 1.251 25.150 -12.832 1.00 0.00 O ATOM 0 H GLY A 76 0.935 22.124 -10.736 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -0.996 23.556 -12.339 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -0.470 24.463 -10.934 1.00 0.00 H new TER 1124 GLY A 76