USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 629 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl -170:sc= 0 (180deg=-0.0839) USER MOD Single : A 1 MET N :NH3+ -177:sc= 1.31 (180deg=1.2) USER MOD Single : A 2 GLN : amide:sc= 0 K(o=0,f=-2.7!) USER MOD Single : A 6 LYS NZ :NH3+ -170:sc= -0.0111 (180deg=-0.118) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.586 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 166:sc= 0.52 (180deg=0.269) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -96:sc= 0.12 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=-0.00925 X(o=-0.0092,f=0) USER MOD Single : A 27 LYS NZ :NH3+ -164:sc= 1.12 (180deg=1.03) USER MOD Single : A 29 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00944) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.0661 X(o=-0.066,f=0) USER MOD Single : A 41 GLN : amide:sc= 0.288 K(o=0.29,f=-1.2) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0.558 K(o=0.56,f=-4.4!) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.297 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 60:sc= 0.674 USER MOD Single : A 60 ASN : amide:sc= -0.0903 X(o=-0.09,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00114) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.0727 K(o=-0.073,f=-0.82) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -11.939 6.143 -2.813 1.00 9.67 N ATOM 2 CA MET A 1 -11.563 6.662 -1.479 1.00 10.38 C ATOM 3 C MET A 1 -10.101 6.939 -1.410 1.00 9.62 C ATOM 4 O MET A 1 -9.312 6.418 -2.195 1.00 9.62 O ATOM 5 CB MET A 1 -11.863 5.669 -0.343 1.00 13.77 C ATOM 6 CG MET A 1 -11.152 4.315 -0.297 1.00 16.29 C ATOM 7 SD MET A 1 -11.116 3.483 1.319 1.00 17.17 S ATOM 8 CE MET A 1 -10.379 1.914 0.780 1.00 16.11 C ATOM 0 H1 MET A 1 -12.969 6.005 -2.854 1.00 9.67 H new ATOM 0 H2 MET A 1 -11.651 6.824 -3.544 1.00 9.67 H new ATOM 0 H3 MET A 1 -11.461 5.234 -2.979 1.00 9.67 H new ATOM 0 HA MET A 1 -12.157 7.566 -1.349 1.00 10.38 H new ATOM 0 HB2 MET A 1 -11.649 6.178 0.597 1.00 13.77 H new ATOM 0 HB3 MET A 1 -12.935 5.471 -0.361 1.00 13.77 H new ATOM 0 HG2 MET A 1 -11.634 3.650 -1.014 1.00 16.29 H new ATOM 0 HG3 MET A 1 -10.125 4.456 -0.633 1.00 16.29 H new ATOM 0 HE1 MET A 1 -10.432 1.189 1.592 1.00 16.11 H new ATOM 0 HE2 MET A 1 -10.925 1.533 -0.083 1.00 16.11 H new ATOM 0 HE3 MET A 1 -9.337 2.077 0.506 1.00 16.11 H new ATOM 20 N GLN A 2 -9.675 7.821 -0.488 1.00 9.27 N ATOM 21 CA GLN A 2 -8.273 7.967 -0.247 1.00 9.07 C ATOM 22 C GLN A 2 -7.836 7.013 0.811 1.00 8.72 C ATOM 23 O GLN A 2 -8.513 6.710 1.792 1.00 8.22 O ATOM 24 CB GLN A 2 -7.901 9.431 0.039 1.00 14.46 C ATOM 25 CG GLN A 2 -8.326 10.210 -1.208 1.00 17.01 C ATOM 26 CD GLN A 2 -8.033 11.672 -0.904 1.00 20.10 C ATOM 27 OE1 GLN A 2 -7.414 11.934 0.126 1.00 21.89 O ATOM 28 NE2 GLN A 2 -8.556 12.525 -1.825 1.00 19.49 N ATOM 0 H GLN A 2 -10.281 8.417 0.076 1.00 9.27 H new ATOM 0 HA GLN A 2 -7.721 7.706 -1.150 1.00 9.07 H new ATOM 0 HB2 GLN A 2 -8.414 9.800 0.927 1.00 14.46 H new ATOM 0 HB3 GLN A 2 -6.832 9.536 0.222 1.00 14.46 H new ATOM 0 HG2 GLN A 2 -7.773 9.875 -2.086 1.00 17.01 H new ATOM 0 HG3 GLN A 2 -9.384 10.059 -1.421 1.00 17.01 H new ATOM 0 HE21 GLN A 2 -9.049 12.157 -2.638 1.00 19.49 H new ATOM 0 HE22 GLN A 2 -8.455 13.533 -1.702 1.00 19.49 H new ATOM 37 N ILE A 3 -6.549 6.634 0.716 1.00 5.87 N ATOM 38 CA ILE A 3 -5.677 6.166 1.748 1.00 5.07 C ATOM 39 C ILE A 3 -4.432 6.986 1.754 1.00 4.01 C ATOM 40 O ILE A 3 -4.143 7.685 0.784 1.00 4.61 O ATOM 41 CB ILE A 3 -5.326 4.712 1.637 1.00 6.55 C ATOM 42 CG1 ILE A 3 -4.635 4.493 0.281 1.00 4.72 C ATOM 43 CG2 ILE A 3 -6.630 3.931 1.873 1.00 5.58 C ATOM 44 CD1 ILE A 3 -4.475 2.989 0.062 1.00 10.83 C ATOM 0 H ILE A 3 -6.070 6.660 -0.184 1.00 5.87 H new ATOM 0 HA ILE A 3 -6.221 6.275 2.686 1.00 5.07 H new ATOM 0 HB ILE A 3 -4.611 4.351 2.377 1.00 6.55 H new ATOM 0 HG12 ILE A 3 -5.226 4.933 -0.522 1.00 4.72 H new ATOM 0 HG13 ILE A 3 -3.662 4.985 0.267 1.00 4.72 H new ATOM 0 HG21 ILE A 3 -6.431 2.862 1.803 1.00 5.58 H new ATOM 0 HG22 ILE A 3 -7.019 4.164 2.864 1.00 5.58 H new ATOM 0 HG23 ILE A 3 -7.365 4.214 1.119 1.00 5.58 H new ATOM 0 HD11 ILE A 3 -3.986 2.811 -0.896 1.00 10.83 H new ATOM 0 HD12 ILE A 3 -3.868 2.567 0.863 1.00 10.83 H new ATOM 0 HD13 ILE A 3 -5.456 2.515 0.062 1.00 10.83 H new ATOM 56 N PHE A 4 -3.596 6.848 2.798 1.00 4.55 N ATOM 57 CA PHE A 4 -2.236 7.289 2.838 1.00 4.68 C ATOM 58 C PHE A 4 -1.311 6.142 3.054 1.00 5.30 C ATOM 59 O PHE A 4 -1.619 5.121 3.668 1.00 5.58 O ATOM 60 CB PHE A 4 -2.016 8.384 3.896 1.00 4.83 C ATOM 61 CG PHE A 4 -3.134 9.361 4.027 1.00 7.97 C ATOM 62 CD1 PHE A 4 -3.249 10.334 3.063 1.00 8.34 C ATOM 63 CD2 PHE A 4 -4.023 9.249 5.071 1.00 6.69 C ATOM 64 CE1 PHE A 4 -4.303 11.216 3.123 1.00 10.61 C ATOM 65 CE2 PHE A 4 -4.943 10.261 5.213 1.00 9.10 C ATOM 66 CZ PHE A 4 -5.128 11.197 4.223 1.00 8.90 C ATOM 0 H PHE A 4 -3.888 6.401 3.667 1.00 4.55 H new ATOM 0 HA PHE A 4 -2.011 7.731 1.868 1.00 4.68 H new ATOM 0 HB2 PHE A 4 -1.853 7.908 4.863 1.00 4.83 H new ATOM 0 HB3 PHE A 4 -1.104 8.928 3.651 1.00 4.83 H new ATOM 0 HD1 PHE A 4 -2.521 10.405 2.268 1.00 8.34 H new ATOM 0 HD2 PHE A 4 -3.999 8.407 5.747 1.00 6.69 H new ATOM 0 HE1 PHE A 4 -4.480 11.913 2.318 1.00 10.61 H new ATOM 0 HE2 PHE A 4 -5.530 10.322 6.117 1.00 9.10 H new ATOM 0 HZ PHE A 4 -5.925 11.921 4.310 1.00 8.90 H new ATOM 76 N VAL A 5 -0.098 6.153 2.473 1.00 4.44 N ATOM 77 CA VAL A 5 0.940 5.222 2.787 1.00 3.87 C ATOM 78 C VAL A 5 2.101 5.992 3.317 1.00 4.93 C ATOM 79 O VAL A 5 2.572 6.874 2.600 1.00 6.84 O ATOM 80 CB VAL A 5 1.324 4.309 1.661 1.00 2.99 C ATOM 81 CG1 VAL A 5 2.178 3.116 2.121 1.00 5.28 C ATOM 82 CG2 VAL A 5 -0.007 3.737 1.144 1.00 9.13 C ATOM 0 H VAL A 5 0.169 6.833 1.761 1.00 4.44 H new ATOM 0 HA VAL A 5 0.560 4.535 3.543 1.00 3.87 H new ATOM 0 HB VAL A 5 1.907 4.864 0.926 1.00 2.99 H new ATOM 0 HG11 VAL A 5 2.424 2.492 1.262 1.00 5.28 H new ATOM 0 HG12 VAL A 5 3.097 3.482 2.579 1.00 5.28 H new ATOM 0 HG13 VAL A 5 1.619 2.528 2.849 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.187 3.056 0.315 1.00 9.13 H new ATOM 0 HG22 VAL A 5 -0.508 3.197 1.948 1.00 9.13 H new ATOM 0 HG23 VAL A 5 -0.645 4.552 0.802 1.00 9.13 H new ATOM 92 N LYS A 6 2.585 5.685 4.534 1.00 6.04 N ATOM 93 CA LYS A 6 3.741 6.310 5.097 1.00 6.12 C ATOM 94 C LYS A 6 4.953 5.500 4.785 1.00 6.57 C ATOM 95 O LYS A 6 5.204 4.363 5.183 1.00 5.76 O ATOM 96 CB LYS A 6 3.593 6.370 6.626 1.00 7.45 C ATOM 97 CG LYS A 6 4.673 7.300 7.181 1.00 11.12 C ATOM 98 CD LYS A 6 4.834 7.197 8.699 1.00 14.54 C ATOM 99 CE LYS A 6 3.718 7.797 9.556 1.00 18.84 C ATOM 100 NZ LYS A 6 3.579 9.248 9.296 1.00 20.55 N ATOM 0 H LYS A 6 2.161 4.984 5.142 1.00 6.04 H new ATOM 0 HA LYS A 6 3.839 7.312 4.680 1.00 6.12 H new ATOM 0 HB2 LYS A 6 2.602 6.735 6.897 1.00 7.45 H new ATOM 0 HB3 LYS A 6 3.694 5.373 7.056 1.00 7.45 H new ATOM 0 HG2 LYS A 6 5.625 7.066 6.704 1.00 11.12 H new ATOM 0 HG3 LYS A 6 4.428 8.329 6.917 1.00 11.12 H new ATOM 0 HD2 LYS A 6 4.932 6.143 8.959 1.00 14.54 H new ATOM 0 HD3 LYS A 6 5.771 7.681 8.974 1.00 14.54 H new ATOM 0 HE2 LYS A 6 2.776 7.292 9.340 1.00 18.84 H new ATOM 0 HE3 LYS A 6 3.934 7.631 10.611 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 2.940 9.667 10.001 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 4.512 9.703 9.360 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 3.187 9.394 8.344 1.00 20.55 H new ATOM 114 N THR A 7 5.943 6.095 4.098 1.00 7.41 N ATOM 115 CA THR A 7 7.098 5.389 3.635 1.00 7.48 C ATOM 116 C THR A 7 8.079 5.159 4.733 1.00 8.75 C ATOM 117 O THR A 7 7.866 5.371 5.926 1.00 8.58 O ATOM 118 CB THR A 7 7.735 6.049 2.448 1.00 9.61 C ATOM 119 OG1 THR A 7 8.400 7.286 2.656 1.00 11.78 O ATOM 120 CG2 THR A 7 6.640 6.309 1.400 1.00 9.17 C ATOM 0 H THR A 7 5.942 7.087 3.859 1.00 7.41 H new ATOM 0 HA THR A 7 6.752 4.412 3.297 1.00 7.48 H new ATOM 0 HB THR A 7 8.515 5.348 2.149 1.00 9.61 H new ATOM 0 HG1 THR A 7 8.770 7.605 1.807 1.00 11.78 H new ATOM 0 HG21 THR A 7 7.080 6.789 0.526 1.00 9.17 H new ATOM 0 HG22 THR A 7 6.187 5.363 1.105 1.00 9.17 H new ATOM 0 HG23 THR A 7 5.876 6.960 1.826 1.00 9.17 H new ATOM 128 N LEU A 8 9.272 4.570 4.535 1.00 9.84 N ATOM 129 CA LEU A 8 10.215 4.244 5.559 1.00 14.15 C ATOM 130 C LEU A 8 11.062 5.399 5.971 1.00 17.37 C ATOM 131 O LEU A 8 11.313 5.669 7.145 1.00 17.01 O ATOM 132 CB LEU A 8 11.093 3.066 5.105 1.00 16.63 C ATOM 133 CG LEU A 8 12.163 2.572 6.092 1.00 18.88 C ATOM 134 CD1 LEU A 8 11.559 2.224 7.463 1.00 18.59 C ATOM 135 CD2 LEU A 8 12.891 1.337 5.532 1.00 19.31 C ATOM 0 H LEU A 8 9.597 4.306 3.605 1.00 9.84 H new ATOM 0 HA LEU A 8 9.640 3.960 6.440 1.00 14.15 H new ATOM 0 HB2 LEU A 8 10.438 2.227 4.867 1.00 16.63 H new ATOM 0 HB3 LEU A 8 11.592 3.353 4.180 1.00 16.63 H new ATOM 0 HG LEU A 8 12.873 3.388 6.224 1.00 18.88 H new ATOM 0 HD11 LEU A 8 12.348 1.879 8.131 1.00 18.59 H new ATOM 0 HD12 LEU A 8 11.085 3.109 7.887 1.00 18.59 H new ATOM 0 HD13 LEU A 8 10.815 1.437 7.343 1.00 18.59 H new ATOM 0 HD21 LEU A 8 13.644 1.004 6.246 1.00 19.31 H new ATOM 0 HD22 LEU A 8 12.171 0.536 5.363 1.00 19.31 H new ATOM 0 HD23 LEU A 8 13.374 1.596 4.590 1.00 19.31 H new ATOM 147 N THR A 9 11.394 6.281 5.011 1.00 18.33 N ATOM 148 CA THR A 9 12.315 7.351 5.239 1.00 19.24 C ATOM 149 C THR A 9 11.525 8.506 5.753 1.00 19.48 C ATOM 150 O THR A 9 12.076 9.314 6.499 1.00 23.14 O ATOM 151 CB THR A 9 13.124 7.720 4.031 1.00 18.97 C ATOM 152 OG1 THR A 9 12.308 7.970 2.896 1.00 20.24 O ATOM 153 CG2 THR A 9 14.210 6.682 3.703 1.00 19.70 C ATOM 0 H THR A 9 11.018 6.251 4.063 1.00 18.33 H new ATOM 0 HA THR A 9 13.060 7.031 5.967 1.00 19.24 H new ATOM 0 HB THR A 9 13.632 8.649 4.289 1.00 18.97 H new ATOM 0 HG1 THR A 9 12.874 8.208 2.132 1.00 20.24 H new ATOM 0 HG21 THR A 9 14.764 7.001 2.820 1.00 19.70 H new ATOM 0 HG22 THR A 9 14.894 6.592 4.547 1.00 19.70 H new ATOM 0 HG23 THR A 9 13.743 5.716 3.509 1.00 19.70 H new ATOM 161 N GLY A 10 10.224 8.603 5.425 1.00 19.43 N ATOM 162 CA GLY A 10 9.315 9.490 6.082 1.00 18.74 C ATOM 163 C GLY A 10 8.594 10.393 5.141 1.00 17.62 C ATOM 164 O GLY A 10 8.385 11.567 5.443 1.00 19.74 O ATOM 0 H GLY A 10 9.793 8.050 4.684 1.00 19.43 H new ATOM 0 HA2 GLY A 10 8.587 8.904 6.643 1.00 18.74 H new ATOM 0 HA3 GLY A 10 9.864 10.093 6.805 1.00 18.74 H new ATOM 168 N LYS A 11 8.035 9.865 4.038 1.00 13.56 N ATOM 169 CA LYS A 11 7.143 10.578 3.178 1.00 11.91 C ATOM 170 C LYS A 11 5.791 9.964 3.304 1.00 10.18 C ATOM 171 O LYS A 11 5.724 8.766 3.573 1.00 9.10 O ATOM 172 CB LYS A 11 7.607 10.614 1.713 1.00 13.43 C ATOM 173 CG LYS A 11 6.679 11.379 0.767 1.00 16.69 C ATOM 174 CD LYS A 11 7.290 11.596 -0.619 1.00 17.92 C ATOM 175 CE LYS A 11 6.436 12.434 -1.573 1.00 20.81 C ATOM 176 NZ LYS A 11 7.103 12.605 -2.884 1.00 21.93 N ATOM 0 H LYS A 11 8.210 8.907 3.734 1.00 13.56 H new ATOM 0 HA LYS A 11 7.121 11.622 3.492 1.00 11.91 H new ATOM 0 HB2 LYS A 11 8.598 11.065 1.671 1.00 13.43 H new ATOM 0 HB3 LYS A 11 7.707 9.590 1.353 1.00 13.43 H new ATOM 0 HG2 LYS A 11 5.742 10.832 0.664 1.00 16.69 H new ATOM 0 HG3 LYS A 11 6.437 12.346 1.207 1.00 16.69 H new ATOM 0 HD2 LYS A 11 8.260 12.080 -0.501 1.00 17.92 H new ATOM 0 HD3 LYS A 11 7.473 10.624 -1.076 1.00 17.92 H new ATOM 0 HE2 LYS A 11 5.468 11.953 -1.715 1.00 20.81 H new ATOM 0 HE3 LYS A 11 6.245 13.411 -1.130 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 6.417 12.964 -3.578 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 7.887 13.282 -2.789 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 7.475 11.689 -3.207 1.00 21.93 H new ATOM 190 N THR A 12 4.751 10.811 3.204 1.00 9.63 N ATOM 191 CA THR A 12 3.411 10.313 3.227 1.00 9.85 C ATOM 192 C THR A 12 2.854 10.517 1.861 1.00 11.66 C ATOM 193 O THR A 12 2.916 11.608 1.296 1.00 12.33 O ATOM 194 CB THR A 12 2.512 10.932 4.256 1.00 10.85 C ATOM 195 OG1 THR A 12 3.189 10.724 5.487 1.00 10.91 O ATOM 196 CG2 THR A 12 1.139 10.240 4.295 1.00 9.63 C ATOM 0 H THR A 12 4.834 11.823 3.109 1.00 9.63 H new ATOM 0 HA THR A 12 3.453 9.263 3.516 1.00 9.85 H new ATOM 0 HB THR A 12 2.321 11.983 4.041 1.00 10.85 H new ATOM 0 HG1 THR A 12 2.661 11.106 6.219 1.00 10.91 H new ATOM 0 HG21 THR A 12 0.514 10.714 5.052 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.659 10.328 3.320 1.00 9.63 H new ATOM 0 HG23 THR A 12 1.270 9.186 4.541 1.00 9.63 H new ATOM 204 N ILE A 13 2.376 9.436 1.219 1.00 10.42 N ATOM 205 CA ILE A 13 1.768 9.539 -0.072 1.00 11.84 C ATOM 206 C ILE A 13 0.301 9.283 -0.069 1.00 10.55 C ATOM 207 O ILE A 13 -0.204 8.434 0.664 1.00 11.92 O ATOM 208 CB ILE A 13 2.516 8.772 -1.122 1.00 14.86 C ATOM 209 CG1 ILE A 13 2.530 7.236 -1.043 1.00 14.87 C ATOM 210 CG2 ILE A 13 3.959 9.300 -1.057 1.00 17.08 C ATOM 211 CD1 ILE A 13 3.304 6.558 -2.172 1.00 16.46 C ATOM 0 H ILE A 13 2.411 8.488 1.595 1.00 10.42 H new ATOM 0 HA ILE A 13 1.853 10.588 -0.356 1.00 11.84 H new ATOM 0 HB ILE A 13 1.986 8.942 -2.059 1.00 14.86 H new ATOM 0 HG12 ILE A 13 2.964 6.936 -0.089 1.00 14.87 H new ATOM 0 HG13 ILE A 13 1.502 6.873 -1.053 1.00 14.87 H new ATOM 0 HG21 ILE A 13 4.569 8.784 -1.799 1.00 17.08 H new ATOM 0 HG22 ILE A 13 3.964 10.370 -1.263 1.00 17.08 H new ATOM 0 HG23 ILE A 13 4.368 9.120 -0.063 1.00 17.08 H new ATOM 0 HD11 ILE A 13 3.265 5.477 -2.042 1.00 16.46 H new ATOM 0 HD12 ILE A 13 2.858 6.825 -3.130 1.00 16.46 H new ATOM 0 HD13 ILE A 13 4.342 6.888 -2.151 1.00 16.46 H new ATOM 223 N THR A 14 -0.562 9.972 -0.837 1.00 9.39 N ATOM 224 CA THR A 14 -1.987 9.855 -0.811 1.00 9.63 C ATOM 225 C THR A 14 -2.494 9.216 -2.057 1.00 11.20 C ATOM 226 O THR A 14 -2.331 9.759 -3.149 1.00 11.63 O ATOM 227 CB THR A 14 -2.561 11.240 -0.751 1.00 10.38 C ATOM 228 OG1 THR A 14 -2.063 11.941 0.379 1.00 16.30 O ATOM 229 CG2 THR A 14 -4.093 11.317 -0.861 1.00 11.66 C ATOM 0 H THR A 14 -0.242 10.657 -1.522 1.00 9.39 H new ATOM 0 HA THR A 14 -2.275 9.248 0.048 1.00 9.63 H new ATOM 0 HB THR A 14 -2.214 11.741 -1.655 1.00 10.38 H new ATOM 0 HG1 THR A 14 -2.701 11.865 1.119 1.00 16.30 H new ATOM 0 HG21 THR A 14 -4.410 12.359 -0.807 1.00 11.66 H new ATOM 0 HG22 THR A 14 -4.411 10.890 -1.812 1.00 11.66 H new ATOM 0 HG23 THR A 14 -4.545 10.758 -0.042 1.00 11.66 H new ATOM 237 N LEU A 15 -3.047 7.996 -1.932 1.00 8.29 N ATOM 238 CA LEU A 15 -3.472 7.184 -3.030 1.00 9.03 C ATOM 239 C LEU A 15 -4.961 7.190 -3.089 1.00 8.59 C ATOM 240 O LEU A 15 -5.695 6.836 -2.168 1.00 7.79 O ATOM 241 CB LEU A 15 -2.970 5.731 -2.976 1.00 11.08 C ATOM 242 CG LEU A 15 -1.441 5.564 -2.982 1.00 15.79 C ATOM 243 CD1 LEU A 15 -1.069 4.132 -2.561 1.00 15.27 C ATOM 244 CD2 LEU A 15 -0.915 5.942 -4.377 1.00 15.88 C ATOM 0 H LEU A 15 -3.205 7.556 -1.025 1.00 8.29 H new ATOM 0 HA LEU A 15 -3.031 7.622 -3.926 1.00 9.03 H new ATOM 0 HB2 LEU A 15 -3.367 5.260 -2.077 1.00 11.08 H new ATOM 0 HB3 LEU A 15 -3.382 5.190 -3.828 1.00 11.08 H new ATOM 0 HG LEU A 15 -0.969 6.228 -2.258 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.015 4.021 -2.568 1.00 15.27 H new ATOM 0 HD12 LEU A 15 -1.448 3.938 -1.557 1.00 15.27 H new ATOM 0 HD13 LEU A 15 -1.511 3.421 -3.259 1.00 15.27 H new ATOM 0 HD21 LEU A 15 0.169 5.829 -4.400 1.00 15.88 H new ATOM 0 HD22 LEU A 15 -1.364 5.288 -5.125 1.00 15.88 H new ATOM 0 HD23 LEU A 15 -1.177 6.977 -4.596 1.00 15.88 H new ATOM 256 N GLU A 16 -5.539 7.578 -4.240 1.00 11.04 N ATOM 257 CA GLU A 16 -6.953 7.565 -4.454 1.00 11.50 C ATOM 258 C GLU A 16 -7.396 6.342 -5.181 1.00 10.13 C ATOM 259 O GLU A 16 -7.115 6.124 -6.359 1.00 9.83 O ATOM 260 CB GLU A 16 -7.367 8.858 -5.176 1.00 17.22 C ATOM 261 CG GLU A 16 -8.863 8.872 -5.495 1.00 23.33 C ATOM 262 CD GLU A 16 -9.149 10.002 -6.473 1.00 26.99 C ATOM 263 OE1 GLU A 16 -8.801 11.187 -6.222 1.00 28.86 O ATOM 264 OE2 GLU A 16 -9.860 9.733 -7.478 1.00 28.90 O ATOM 0 H GLU A 16 -5.008 7.910 -5.045 1.00 11.04 H new ATOM 0 HA GLU A 16 -7.458 7.530 -3.488 1.00 11.50 H new ATOM 0 HB2 GLU A 16 -7.119 9.718 -4.554 1.00 17.22 H new ATOM 0 HB3 GLU A 16 -6.797 8.958 -6.100 1.00 17.22 H new ATOM 0 HG2 GLU A 16 -9.166 7.917 -5.924 1.00 23.33 H new ATOM 0 HG3 GLU A 16 -9.442 9.009 -4.582 1.00 23.33 H new ATOM 271 N VAL A 17 -8.023 5.419 -4.430 1.00 8.99 N ATOM 272 CA VAL A 17 -8.189 4.032 -4.735 1.00 8.85 C ATOM 273 C VAL A 17 -9.623 3.690 -4.520 1.00 8.04 C ATOM 274 O VAL A 17 -10.301 4.302 -3.696 1.00 8.99 O ATOM 275 CB VAL A 17 -7.329 3.093 -3.941 1.00 9.78 C ATOM 276 CG1 VAL A 17 -5.938 3.067 -4.595 1.00 12.05 C ATOM 277 CG2 VAL A 17 -7.244 3.584 -2.486 1.00 10.54 C ATOM 0 H VAL A 17 -8.448 5.665 -3.536 1.00 8.99 H new ATOM 0 HA VAL A 17 -7.870 3.898 -5.769 1.00 8.85 H new ATOM 0 HB VAL A 17 -7.748 2.087 -3.932 1.00 9.78 H new ATOM 0 HG11 VAL A 17 -5.287 2.392 -4.040 1.00 12.05 H new ATOM 0 HG12 VAL A 17 -6.026 2.721 -5.625 1.00 12.05 H new ATOM 0 HG13 VAL A 17 -5.512 4.070 -4.585 1.00 12.05 H new ATOM 0 HG21 VAL A 17 -6.620 2.903 -1.908 1.00 10.54 H new ATOM 0 HG22 VAL A 17 -6.808 4.583 -2.464 1.00 10.54 H new ATOM 0 HG23 VAL A 17 -8.244 3.615 -2.053 1.00 10.54 H new ATOM 287 N GLU A 18 -10.128 2.718 -5.300 1.00 7.29 N ATOM 288 CA GLU A 18 -11.457 2.200 -5.192 1.00 7.08 C ATOM 289 C GLU A 18 -11.583 1.115 -4.179 1.00 6.45 C ATOM 290 O GLU A 18 -10.581 0.404 -4.121 1.00 5.28 O ATOM 291 CB GLU A 18 -11.987 1.777 -6.573 1.00 10.28 C ATOM 292 CG GLU A 18 -11.924 2.861 -7.651 1.00 12.65 C ATOM 293 CD GLU A 18 -12.899 2.824 -8.819 1.00 14.15 C ATOM 294 OE1 GLU A 18 -13.100 1.744 -9.437 1.00 18.17 O ATOM 295 OE2 GLU A 18 -13.346 3.901 -9.295 1.00 14.33 O ATOM 0 H GLU A 18 -9.585 2.273 -6.040 1.00 7.29 H new ATOM 0 HA GLU A 18 -12.088 3.009 -4.822 1.00 7.08 H new ATOM 0 HB2 GLU A 18 -11.417 0.913 -6.915 1.00 10.28 H new ATOM 0 HB3 GLU A 18 -13.022 1.454 -6.464 1.00 10.28 H new ATOM 0 HG2 GLU A 18 -12.050 3.822 -7.153 1.00 12.65 H new ATOM 0 HG3 GLU A 18 -10.917 2.847 -8.068 1.00 12.65 H new ATOM 302 N PRO A 19 -12.574 0.713 -3.440 1.00 7.24 N ATOM 303 CA PRO A 19 -12.443 -0.210 -2.351 1.00 7.07 C ATOM 304 C PRO A 19 -12.493 -1.601 -2.883 1.00 6.65 C ATOM 305 O PRO A 19 -12.274 -2.612 -2.218 1.00 6.37 O ATOM 306 CB PRO A 19 -13.508 0.168 -1.324 1.00 7.61 C ATOM 307 CG PRO A 19 -14.490 1.067 -2.094 1.00 8.16 C ATOM 308 CD PRO A 19 -13.917 1.270 -3.506 1.00 7.49 C ATOM 0 HA PRO A 19 -11.485 -0.161 -1.834 1.00 7.07 H new ATOM 0 HB2 PRO A 19 -14.008 -0.716 -0.928 1.00 7.61 H new ATOM 0 HB3 PRO A 19 -13.071 0.694 -0.475 1.00 7.61 H new ATOM 0 HG2 PRO A 19 -15.476 0.605 -2.143 1.00 8.16 H new ATOM 0 HG3 PRO A 19 -14.611 2.025 -1.588 1.00 8.16 H new ATOM 0 HD2 PRO A 19 -14.521 0.760 -4.256 1.00 7.49 H new ATOM 0 HD3 PRO A 19 -13.896 2.325 -3.777 1.00 7.49 H new ATOM 316 N SER A 20 -12.767 -1.763 -4.190 1.00 6.80 N ATOM 317 CA SER A 20 -12.780 -3.041 -4.833 1.00 6.28 C ATOM 318 C SER A 20 -11.491 -3.270 -5.544 1.00 8.45 C ATOM 319 O SER A 20 -11.342 -4.244 -6.281 1.00 7.26 O ATOM 320 CB SER A 20 -13.953 -3.080 -5.826 1.00 8.57 C ATOM 321 OG SER A 20 -15.189 -2.687 -5.248 1.00 11.13 O ATOM 0 H SER A 20 -12.985 -0.987 -4.815 1.00 6.80 H new ATOM 0 HA SER A 20 -12.903 -3.829 -4.090 1.00 6.28 H new ATOM 0 HB2 SER A 20 -13.729 -2.426 -6.669 1.00 8.57 H new ATOM 0 HB3 SER A 20 -14.050 -4.090 -6.224 1.00 8.57 H new ATOM 0 HG SER A 20 -15.895 -2.730 -5.926 1.00 11.13 H new ATOM 327 N ASP A 21 -10.550 -2.328 -5.354 1.00 7.50 N ATOM 328 CA ASP A 21 -9.239 -2.542 -5.883 1.00 7.70 C ATOM 329 C ASP A 21 -8.531 -3.527 -5.019 1.00 7.08 C ATOM 330 O ASP A 21 -8.736 -3.741 -3.825 1.00 8.11 O ATOM 331 CB ASP A 21 -8.275 -1.352 -6.018 1.00 11.00 C ATOM 332 CG ASP A 21 -8.823 -0.264 -6.930 1.00 15.32 C ATOM 333 OD1 ASP A 21 -9.508 -0.557 -7.946 1.00 18.03 O ATOM 334 OD2 ASP A 21 -8.597 0.939 -6.630 1.00 14.36 O ATOM 0 H ASP A 21 -10.687 -1.450 -4.854 1.00 7.50 H new ATOM 0 HA ASP A 21 -9.459 -2.853 -6.904 1.00 7.70 H new ATOM 0 HB2 ASP A 21 -8.080 -0.932 -5.031 1.00 11.00 H new ATOM 0 HB3 ASP A 21 -7.320 -1.704 -6.409 1.00 11.00 H new ATOM 339 N THR A 22 -7.507 -4.189 -5.587 1.00 5.37 N ATOM 340 CA THR A 22 -6.736 -5.232 -4.986 1.00 6.01 C ATOM 341 C THR A 22 -5.499 -4.629 -4.414 1.00 8.01 C ATOM 342 O THR A 22 -5.211 -3.461 -4.669 1.00 8.11 O ATOM 343 CB THR A 22 -6.367 -6.386 -5.872 1.00 8.92 C ATOM 344 OG1 THR A 22 -5.548 -6.037 -6.979 1.00 10.22 O ATOM 345 CG2 THR A 22 -7.704 -6.979 -6.345 1.00 9.65 C ATOM 0 H THR A 22 -7.197 -3.979 -6.536 1.00 5.37 H new ATOM 0 HA THR A 22 -7.384 -5.673 -4.229 1.00 6.01 H new ATOM 0 HB THR A 22 -5.759 -7.096 -5.311 1.00 8.92 H new ATOM 0 HG1 THR A 22 -5.350 -6.840 -7.505 1.00 10.22 H new ATOM 0 HG21 THR A 22 -7.514 -7.830 -6.999 1.00 9.65 H new ATOM 0 HG22 THR A 22 -8.282 -7.308 -5.481 1.00 9.65 H new ATOM 0 HG23 THR A 22 -8.266 -6.221 -6.890 1.00 9.65 H new ATOM 353 N ILE A 23 -4.757 -5.316 -3.527 1.00 8.32 N ATOM 354 CA ILE A 23 -3.610 -4.728 -2.907 1.00 9.92 C ATOM 355 C ILE A 23 -2.441 -4.694 -3.831 1.00 10.01 C ATOM 356 O ILE A 23 -1.519 -3.892 -3.696 1.00 8.71 O ATOM 357 CB ILE A 23 -3.367 -5.455 -1.618 1.00 10.78 C ATOM 358 CG1 ILE A 23 -4.512 -5.321 -0.601 1.00 11.38 C ATOM 359 CG2 ILE A 23 -2.077 -4.923 -0.970 1.00 10.90 C ATOM 360 CD1 ILE A 23 -4.799 -3.960 0.034 1.00 12.30 C ATOM 0 H ILE A 23 -4.950 -6.275 -3.240 1.00 8.32 H new ATOM 0 HA ILE A 23 -3.784 -3.678 -2.674 1.00 9.92 H new ATOM 0 HB ILE A 23 -3.288 -6.511 -1.875 1.00 10.78 H new ATOM 0 HG12 ILE A 23 -5.427 -5.651 -1.093 1.00 11.38 H new ATOM 0 HG13 ILE A 23 -4.314 -6.024 0.208 1.00 11.38 H new ATOM 0 HG21 ILE A 23 -1.897 -5.449 -0.033 1.00 10.90 H new ATOM 0 HG22 ILE A 23 -1.237 -5.086 -1.645 1.00 10.90 H new ATOM 0 HG23 ILE A 23 -2.182 -3.856 -0.773 1.00 10.90 H new ATOM 0 HD11 ILE A 23 -5.637 -4.050 0.725 1.00 12.30 H new ATOM 0 HD12 ILE A 23 -3.917 -3.618 0.576 1.00 12.30 H new ATOM 0 HD13 ILE A 23 -5.047 -3.240 -0.746 1.00 12.30 H new ATOM 372 N GLU A 24 -2.508 -5.490 -4.913 1.00 9.54 N ATOM 373 CA GLU A 24 -1.552 -5.479 -5.977 1.00 11.81 C ATOM 374 C GLU A 24 -1.648 -4.135 -6.613 1.00 11.14 C ATOM 375 O GLU A 24 -0.679 -3.572 -7.120 1.00 10.62 O ATOM 376 CB GLU A 24 -1.974 -6.504 -7.043 1.00 19.24 C ATOM 377 CG GLU A 24 -0.989 -6.701 -8.197 1.00 27.76 C ATOM 378 CD GLU A 24 -1.499 -7.726 -9.200 1.00 32.92 C ATOM 379 OE1 GLU A 24 -2.692 -7.733 -9.606 1.00 36.51 O ATOM 380 OE2 GLU A 24 -0.707 -8.617 -9.609 1.00 34.80 O ATOM 0 H GLU A 24 -3.257 -6.168 -5.052 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.553 -5.705 -5.604 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -2.131 -7.466 -6.555 1.00 19.24 H new ATOM 0 HB3 GLU A 24 -2.934 -6.196 -7.457 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -0.823 -5.749 -8.701 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -0.026 -7.025 -7.803 1.00 27.76 H new ATOM 387 N ASN A 25 -2.880 -3.674 -6.893 1.00 9.43 N ATOM 388 CA ASN A 25 -3.160 -2.426 -7.532 1.00 10.96 C ATOM 389 C ASN A 25 -2.770 -1.241 -6.717 1.00 9.68 C ATOM 390 O ASN A 25 -2.288 -0.273 -7.302 1.00 9.33 O ATOM 391 CB ASN A 25 -4.658 -2.439 -7.881 1.00 16.78 C ATOM 392 CG ASN A 25 -4.902 -1.709 -9.194 1.00 22.31 C ATOM 393 OD1 ASN A 25 -5.492 -0.629 -9.199 1.00 25.66 O ATOM 394 ND2 ASN A 25 -4.441 -2.273 -10.343 1.00 24.70 N ATOM 0 H ASN A 25 -3.723 -4.199 -6.662 1.00 9.43 H new ATOM 0 HA ASN A 25 -2.554 -2.325 -8.432 1.00 10.96 H new ATOM 0 HB2 ASN A 25 -5.011 -3.467 -7.958 1.00 16.78 H new ATOM 0 HB3 ASN A 25 -5.228 -1.965 -7.082 1.00 16.78 H new ATOM 0 HD21 ASN A 25 -4.581 -1.800 -11.236 1.00 24.70 H new ATOM 0 HD22 ASN A 25 -3.955 -3.169 -10.312 1.00 24.70 H new ATOM 401 N VAL A 26 -2.821 -1.335 -5.376 1.00 6.52 N ATOM 402 CA VAL A 26 -2.480 -0.307 -4.443 1.00 5.53 C ATOM 403 C VAL A 26 -1.008 -0.086 -4.509 1.00 4.42 C ATOM 404 O VAL A 26 -0.424 0.995 -4.458 1.00 3.40 O ATOM 405 CB VAL A 26 -2.888 -0.744 -3.067 1.00 3.86 C ATOM 406 CG1 VAL A 26 -2.256 0.015 -1.888 1.00 7.25 C ATOM 407 CG2 VAL A 26 -4.423 -0.649 -3.052 1.00 8.12 C ATOM 0 H VAL A 26 -3.123 -2.192 -4.912 1.00 6.52 H new ATOM 0 HA VAL A 26 -2.995 0.624 -4.681 1.00 5.53 H new ATOM 0 HB VAL A 26 -2.512 -1.753 -2.899 1.00 3.86 H new ATOM 0 HG11 VAL A 26 -2.630 -0.394 -0.949 1.00 7.25 H new ATOM 0 HG12 VAL A 26 -1.172 -0.094 -1.924 1.00 7.25 H new ATOM 0 HG13 VAL A 26 -2.517 1.071 -1.953 1.00 7.25 H new ATOM 0 HG21 VAL A 26 -4.797 -0.954 -2.075 1.00 8.12 H new ATOM 0 HG22 VAL A 26 -4.726 0.379 -3.252 1.00 8.12 H new ATOM 0 HG23 VAL A 26 -4.836 -1.304 -3.819 1.00 8.12 H new ATOM 417 N LYS A 27 -0.293 -1.224 -4.545 1.00 2.64 N ATOM 418 CA LYS A 27 1.120 -1.256 -4.760 1.00 4.14 C ATOM 419 C LYS A 27 1.706 -0.761 -6.038 1.00 5.58 C ATOM 420 O LYS A 27 2.673 -0.001 -6.053 1.00 4.11 O ATOM 421 CB LYS A 27 1.446 -2.717 -4.409 1.00 3.97 C ATOM 422 CG LYS A 27 2.908 -2.883 -3.989 1.00 7.45 C ATOM 423 CD LYS A 27 3.123 -4.281 -3.407 1.00 9.02 C ATOM 424 CE LYS A 27 2.751 -4.624 -1.964 1.00 12.90 C ATOM 425 NZ LYS A 27 2.723 -6.083 -1.717 1.00 15.47 N ATOM 0 H LYS A 27 -0.709 -2.147 -4.421 1.00 2.64 H new ATOM 0 HA LYS A 27 1.609 -0.496 -4.150 1.00 4.14 H new ATOM 0 HB2 LYS A 27 0.795 -3.052 -3.602 1.00 3.97 H new ATOM 0 HB3 LYS A 27 1.240 -3.353 -5.270 1.00 3.97 H new ATOM 0 HG2 LYS A 27 3.562 -2.732 -4.848 1.00 7.45 H new ATOM 0 HG3 LYS A 27 3.172 -2.127 -3.250 1.00 7.45 H new ATOM 0 HD2 LYS A 27 2.577 -4.975 -4.046 1.00 9.02 H new ATOM 0 HD3 LYS A 27 4.183 -4.509 -3.521 1.00 9.02 H new ATOM 0 HE2 LYS A 27 3.467 -4.158 -1.287 1.00 12.90 H new ATOM 0 HE3 LYS A 27 1.773 -4.201 -1.734 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 2.214 -6.275 -0.830 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 2.239 -6.559 -2.504 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 3.697 -6.441 -1.642 1.00 15.47 H new ATOM 439 N ALA A 28 1.050 -1.036 -7.179 1.00 6.61 N ATOM 440 CA ALA A 28 1.345 -0.599 -8.509 1.00 7.74 C ATOM 441 C ALA A 28 1.403 0.882 -8.655 1.00 9.17 C ATOM 442 O ALA A 28 2.350 1.418 -9.230 1.00 11.45 O ATOM 443 CB ALA A 28 0.278 -1.154 -9.467 1.00 7.68 C ATOM 0 H ALA A 28 0.221 -1.631 -7.165 1.00 6.61 H new ATOM 0 HA ALA A 28 2.338 -0.977 -8.750 1.00 7.74 H new ATOM 0 HB1 ALA A 28 0.495 -0.826 -10.483 1.00 7.68 H new ATOM 0 HB2 ALA A 28 0.285 -2.243 -9.428 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.704 -0.787 -9.169 1.00 7.68 H new ATOM 449 N LYS A 29 0.458 1.572 -7.993 1.00 8.96 N ATOM 450 CA LYS A 29 0.347 2.998 -7.978 1.00 7.90 C ATOM 451 C LYS A 29 1.609 3.612 -7.477 1.00 6.92 C ATOM 452 O LYS A 29 1.882 4.769 -7.793 1.00 6.87 O ATOM 453 CB LYS A 29 -0.878 3.437 -7.159 1.00 10.28 C ATOM 454 CG LYS A 29 -2.154 3.219 -7.975 1.00 14.94 C ATOM 455 CD LYS A 29 -3.388 3.740 -7.234 1.00 19.69 C ATOM 456 CE LYS A 29 -4.662 4.037 -8.027 1.00 22.63 C ATOM 457 NZ LYS A 29 -5.061 2.814 -8.759 1.00 24.98 N ATOM 0 H LYS A 29 -0.265 1.112 -7.440 1.00 8.96 H new ATOM 0 HA LYS A 29 0.195 3.353 -8.997 1.00 7.90 H new ATOM 0 HB2 LYS A 29 -0.928 2.869 -6.230 1.00 10.28 H new ATOM 0 HB3 LYS A 29 -0.786 4.488 -6.885 1.00 10.28 H new ATOM 0 HG2 LYS A 29 -2.064 3.726 -8.936 1.00 14.94 H new ATOM 0 HG3 LYS A 29 -2.276 2.156 -8.185 1.00 14.94 H new ATOM 0 HD2 LYS A 29 -3.642 3.010 -6.465 1.00 19.69 H new ATOM 0 HD3 LYS A 29 -3.100 4.657 -6.720 1.00 19.69 H new ATOM 0 HE2 LYS A 29 -5.460 4.353 -7.355 1.00 22.63 H new ATOM 0 HE3 LYS A 29 -4.490 4.856 -8.725 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 -5.954 2.987 -9.263 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 -4.320 2.562 -9.444 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 -5.189 2.032 -8.085 1.00 24.98 H new ATOM 471 N ILE A 30 2.266 2.883 -6.557 1.00 4.57 N ATOM 472 CA ILE A 30 3.416 3.336 -5.838 1.00 5.58 C ATOM 473 C ILE A 30 4.629 3.139 -6.680 1.00 7.26 C ATOM 474 O ILE A 30 5.560 3.941 -6.743 1.00 9.46 O ATOM 475 CB ILE A 30 3.574 2.660 -4.508 1.00 5.36 C ATOM 476 CG1 ILE A 30 2.180 2.819 -3.879 1.00 2.94 C ATOM 477 CG2 ILE A 30 4.627 3.426 -3.690 1.00 2.78 C ATOM 478 CD1 ILE A 30 2.090 2.468 -2.394 1.00 2.00 C ATOM 0 H ILE A 30 1.983 1.936 -6.303 1.00 4.57 H new ATOM 0 HA ILE A 30 3.280 4.396 -5.624 1.00 5.58 H new ATOM 0 HB ILE A 30 3.897 1.620 -4.562 1.00 5.36 H new ATOM 0 HG12 ILE A 30 1.855 3.851 -4.012 1.00 2.94 H new ATOM 0 HG13 ILE A 30 1.478 2.191 -4.427 1.00 2.94 H new ATOM 0 HG21 ILE A 30 4.753 2.946 -2.719 1.00 2.78 H new ATOM 0 HG22 ILE A 30 5.577 3.420 -4.224 1.00 2.78 H new ATOM 0 HG23 ILE A 30 4.298 4.455 -3.546 1.00 2.78 H new ATOM 0 HD11 ILE A 30 1.067 2.613 -2.047 1.00 2.00 H new ATOM 0 HD12 ILE A 30 2.378 1.427 -2.248 1.00 2.00 H new ATOM 0 HD13 ILE A 30 2.761 3.113 -1.826 1.00 2.00 H new ATOM 490 N GLN A 31 4.651 2.019 -7.424 1.00 7.06 N ATOM 491 CA GLN A 31 5.660 1.898 -8.431 1.00 8.67 C ATOM 492 C GLN A 31 5.551 2.950 -9.480 1.00 10.90 C ATOM 493 O GLN A 31 6.571 3.389 -10.009 1.00 9.63 O ATOM 494 CB GLN A 31 5.551 0.515 -9.096 1.00 9.12 C ATOM 495 CG GLN A 31 6.740 0.068 -9.949 1.00 10.76 C ATOM 496 CD GLN A 31 6.616 -1.306 -10.592 1.00 13.78 C ATOM 497 OE1 GLN A 31 5.550 -1.913 -10.680 1.00 14.48 O ATOM 498 NE2 GLN A 31 7.798 -1.878 -10.943 1.00 14.76 N ATOM 0 H GLN A 31 4.006 1.233 -7.338 1.00 7.06 H new ATOM 0 HA GLN A 31 6.625 2.021 -7.939 1.00 8.67 H new ATOM 0 HB2 GLN A 31 5.395 -0.228 -8.314 1.00 9.12 H new ATOM 0 HB3 GLN A 31 4.660 0.508 -9.724 1.00 9.12 H new ATOM 0 HG2 GLN A 31 6.894 0.805 -10.738 1.00 10.76 H new ATOM 0 HG3 GLN A 31 7.634 0.077 -9.325 1.00 10.76 H new ATOM 0 HE21 GLN A 31 8.666 -1.349 -10.859 1.00 14.76 H new ATOM 0 HE22 GLN A 31 7.817 -2.837 -11.291 1.00 14.76 H new ATOM 507 N ASP A 32 4.323 3.303 -9.900 1.00 10.93 N ATOM 508 CA ASP A 32 4.080 4.365 -10.827 1.00 14.01 C ATOM 509 C ASP A 32 4.513 5.696 -10.316 1.00 14.04 C ATOM 510 O ASP A 32 5.444 6.222 -10.924 1.00 13.39 O ATOM 511 CB ASP A 32 2.604 4.239 -11.239 1.00 18.01 C ATOM 512 CG ASP A 32 2.381 3.244 -12.370 1.00 24.33 C ATOM 513 OD1 ASP A 32 3.355 2.669 -12.924 1.00 26.29 O ATOM 514 OD2 ASP A 32 1.191 2.950 -12.663 1.00 25.17 O ATOM 0 H ASP A 32 3.473 2.835 -9.585 1.00 10.93 H new ATOM 0 HA ASP A 32 4.698 4.280 -11.721 1.00 14.01 H new ATOM 0 HB2 ASP A 32 2.016 3.933 -10.373 1.00 18.01 H new ATOM 0 HB3 ASP A 32 2.234 5.217 -11.546 1.00 18.01 H new ATOM 519 N LYS A 33 4.015 6.096 -9.132 1.00 14.22 N ATOM 520 CA LYS A 33 4.249 7.426 -8.662 1.00 14.00 C ATOM 521 C LYS A 33 5.562 7.780 -8.054 1.00 12.37 C ATOM 522 O LYS A 33 6.207 8.737 -8.481 1.00 12.17 O ATOM 523 CB LYS A 33 3.222 7.877 -7.609 1.00 18.62 C ATOM 524 CG LYS A 33 1.778 7.999 -8.100 1.00 24.00 C ATOM 525 CD LYS A 33 1.454 9.311 -8.818 1.00 27.61 C ATOM 526 CE LYS A 33 0.093 9.495 -9.493 1.00 27.64 C ATOM 527 NZ LYS A 33 -1.006 9.711 -8.526 1.00 30.06 N ATOM 0 H LYS A 33 3.459 5.510 -8.509 1.00 14.22 H new ATOM 0 HA LYS A 33 4.186 7.930 -9.626 1.00 14.00 H new ATOM 0 HB2 LYS A 33 3.246 7.171 -6.779 1.00 18.62 H new ATOM 0 HB3 LYS A 33 3.535 8.843 -7.214 1.00 18.62 H new ATOM 0 HG2 LYS A 33 1.567 7.170 -8.775 1.00 24.00 H new ATOM 0 HG3 LYS A 33 1.108 7.893 -7.246 1.00 24.00 H new ATOM 0 HD2 LYS A 33 1.567 10.115 -8.091 1.00 27.61 H new ATOM 0 HD3 LYS A 33 2.218 9.461 -9.581 1.00 27.61 H new ATOM 0 HE2 LYS A 33 0.143 10.345 -10.174 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.129 8.615 -10.097 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -1.902 9.829 -9.040 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -1.076 8.890 -7.891 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -0.813 10.566 -7.966 1.00 30.06 H new ATOM 541 N GLU A 34 6.058 7.082 -7.016 1.00 10.11 N ATOM 542 CA GLU A 34 7.324 7.273 -6.378 1.00 10.07 C ATOM 543 C GLU A 34 8.383 6.402 -6.961 1.00 9.32 C ATOM 544 O GLU A 34 9.538 6.804 -7.088 1.00 11.61 O ATOM 545 CB GLU A 34 7.150 7.045 -4.867 1.00 14.77 C ATOM 546 CG GLU A 34 6.235 7.878 -3.967 1.00 18.75 C ATOM 547 CD GLU A 34 6.494 9.377 -3.917 1.00 22.28 C ATOM 548 OE1 GLU A 34 7.667 9.740 -3.637 1.00 21.95 O ATOM 549 OE2 GLU A 34 5.615 10.136 -4.406 1.00 25.19 O ATOM 0 H GLU A 34 5.528 6.322 -6.589 1.00 10.11 H new ATOM 0 HA GLU A 34 7.663 8.295 -6.549 1.00 10.07 H new ATOM 0 HB2 GLU A 34 6.826 6.010 -4.753 1.00 14.77 H new ATOM 0 HB3 GLU A 34 8.147 7.117 -4.433 1.00 14.77 H new ATOM 0 HG2 GLU A 34 5.206 7.723 -4.293 1.00 18.75 H new ATOM 0 HG3 GLU A 34 6.311 7.487 -2.952 1.00 18.75 H new ATOM 556 N GLY A 35 8.104 5.154 -7.380 1.00 7.22 N ATOM 557 CA GLY A 35 9.113 4.254 -7.844 1.00 6.29 C ATOM 558 C GLY A 35 9.816 3.479 -6.783 1.00 6.93 C ATOM 559 O GLY A 35 11.045 3.477 -6.731 1.00 7.41 O ATOM 0 H GLY A 35 7.162 4.764 -7.397 1.00 7.22 H new ATOM 0 HA2 GLY A 35 8.656 3.551 -8.541 1.00 6.29 H new ATOM 0 HA3 GLY A 35 9.854 4.824 -8.405 1.00 6.29 H new ATOM 563 N ILE A 36 9.049 2.743 -5.959 1.00 5.86 N ATOM 564 CA ILE A 36 9.648 1.854 -5.012 1.00 6.07 C ATOM 565 C ILE A 36 9.369 0.478 -5.508 1.00 6.36 C ATOM 566 O ILE A 36 8.219 0.262 -5.887 1.00 6.18 O ATOM 567 CB ILE A 36 9.195 2.056 -3.596 1.00 7.47 C ATOM 568 CG1 ILE A 36 9.236 3.513 -3.105 1.00 8.52 C ATOM 569 CG2 ILE A 36 10.160 1.273 -2.690 1.00 7.36 C ATOM 570 CD1 ILE A 36 8.601 3.898 -1.770 1.00 9.49 C ATOM 0 H ILE A 36 8.029 2.762 -5.947 1.00 5.86 H new ATOM 0 HA ILE A 36 10.718 2.052 -4.951 1.00 6.07 H new ATOM 0 HB ILE A 36 8.157 1.726 -3.558 1.00 7.47 H new ATOM 0 HG12 ILE A 36 10.284 3.808 -3.060 1.00 8.52 H new ATOM 0 HG13 ILE A 36 8.765 4.125 -3.874 1.00 8.52 H new ATOM 0 HG21 ILE A 36 9.862 1.396 -1.649 1.00 7.36 H new ATOM 0 HG22 ILE A 36 10.130 0.216 -2.954 1.00 7.36 H new ATOM 0 HG23 ILE A 36 11.173 1.651 -2.825 1.00 7.36 H new ATOM 0 HD11 ILE A 36 8.733 4.966 -1.599 1.00 9.49 H new ATOM 0 HD12 ILE A 36 7.537 3.662 -1.792 1.00 9.49 H new ATOM 0 HD13 ILE A 36 9.080 3.340 -0.965 1.00 9.49 H new ATOM 582 N PRO A 37 10.234 -0.492 -5.546 1.00 8.65 N ATOM 583 CA PRO A 37 9.923 -1.711 -6.234 1.00 9.18 C ATOM 584 C PRO A 37 8.921 -2.649 -5.653 1.00 9.85 C ATOM 585 O PRO A 37 8.993 -2.711 -4.426 1.00 8.51 O ATOM 586 CB PRO A 37 11.293 -2.373 -6.364 1.00 11.42 C ATOM 587 CG PRO A 37 12.242 -1.174 -6.519 1.00 9.27 C ATOM 588 CD PRO A 37 11.668 -0.287 -5.403 1.00 8.33 C ATOM 0 HA PRO A 37 9.403 -1.460 -7.158 1.00 9.18 H new ATOM 0 HB2 PRO A 37 11.538 -2.971 -5.486 1.00 11.42 H new ATOM 0 HB3 PRO A 37 11.340 -3.039 -7.226 1.00 11.42 H new ATOM 0 HG2 PRO A 37 13.287 -1.437 -6.356 1.00 9.27 H new ATOM 0 HG3 PRO A 37 12.180 -0.710 -7.503 1.00 9.27 H new ATOM 0 HD2 PRO A 37 12.025 -0.590 -4.419 1.00 8.33 H new ATOM 0 HD3 PRO A 37 11.944 0.759 -5.534 1.00 8.33 H new ATOM 596 N PRO A 38 8.084 -3.420 -6.281 1.00 8.71 N ATOM 597 CA PRO A 38 6.974 -4.054 -5.633 1.00 9.08 C ATOM 598 C PRO A 38 7.301 -5.413 -5.117 1.00 9.28 C ATOM 599 O PRO A 38 6.408 -6.034 -4.543 1.00 6.50 O ATOM 600 CB PRO A 38 6.012 -4.188 -6.811 1.00 10.31 C ATOM 601 CG PRO A 38 6.973 -4.606 -7.935 1.00 10.81 C ATOM 602 CD PRO A 38 8.209 -3.724 -7.699 1.00 12.00 C ATOM 0 HA PRO A 38 6.614 -3.502 -4.765 1.00 9.08 H new ATOM 0 HB2 PRO A 38 5.241 -4.937 -6.629 1.00 10.31 H new ATOM 0 HB3 PRO A 38 5.501 -3.251 -7.034 1.00 10.31 H new ATOM 0 HG2 PRO A 38 7.220 -5.666 -7.878 1.00 10.81 H new ATOM 0 HG3 PRO A 38 6.538 -4.432 -8.919 1.00 10.81 H new ATOM 0 HD2 PRO A 38 9.137 -4.249 -7.925 1.00 12.00 H new ATOM 0 HD3 PRO A 38 8.194 -2.824 -8.314 1.00 12.00 H new ATOM 610 N ASP A 39 8.584 -5.815 -5.145 1.00 11.20 N ATOM 611 CA ASP A 39 9.192 -6.920 -4.470 1.00 14.96 C ATOM 612 C ASP A 39 9.649 -6.478 -3.123 1.00 13.99 C ATOM 613 O ASP A 39 9.440 -7.132 -2.102 1.00 13.75 O ATOM 614 CB ASP A 39 10.362 -7.644 -5.157 1.00 24.16 C ATOM 615 CG ASP A 39 11.371 -6.692 -5.781 1.00 31.06 C ATOM 616 OD1 ASP A 39 11.097 -5.463 -5.826 1.00 35.55 O ATOM 617 OD2 ASP A 39 12.479 -7.138 -6.183 1.00 34.22 O ATOM 0 H ASP A 39 9.269 -5.307 -5.704 1.00 11.20 H new ATOM 0 HA ASP A 39 8.394 -7.663 -4.452 1.00 14.96 H new ATOM 0 HB2 ASP A 39 10.870 -8.274 -4.427 1.00 24.16 H new ATOM 0 HB3 ASP A 39 9.969 -8.304 -5.930 1.00 24.16 H new ATOM 622 N GLN A 40 10.283 -5.294 -3.050 1.00 11.60 N ATOM 623 CA GLN A 40 10.692 -4.692 -1.819 1.00 10.76 C ATOM 624 C GLN A 40 9.527 -4.171 -1.051 1.00 8.01 C ATOM 625 O GLN A 40 9.602 -4.369 0.161 1.00 8.96 O ATOM 626 CB GLN A 40 11.612 -3.502 -2.140 1.00 11.14 C ATOM 627 CG GLN A 40 12.895 -3.926 -2.858 1.00 14.85 C ATOM 628 CD GLN A 40 13.728 -2.704 -3.216 1.00 16.11 C ATOM 629 OE1 GLN A 40 13.973 -1.720 -2.520 1.00 20.52 O ATOM 630 NE2 GLN A 40 14.377 -2.843 -4.404 1.00 18.16 N ATOM 0 H GLN A 40 10.518 -4.739 -3.873 1.00 11.60 H new ATOM 0 HA GLN A 40 11.199 -5.450 -1.222 1.00 10.76 H new ATOM 0 HB2 GLN A 40 11.072 -2.787 -2.761 1.00 11.14 H new ATOM 0 HB3 GLN A 40 11.871 -2.988 -1.214 1.00 11.14 H new ATOM 0 HG2 GLN A 40 13.473 -4.594 -2.220 1.00 14.85 H new ATOM 0 HG3 GLN A 40 12.647 -4.483 -3.762 1.00 14.85 H new ATOM 0 HE21 GLN A 40 14.189 -3.652 -4.997 1.00 18.16 H new ATOM 0 HE22 GLN A 40 15.052 -2.139 -4.702 1.00 18.16 H new ATOM 639 N GLN A 41 8.501 -3.509 -1.616 1.00 6.52 N ATOM 640 CA GLN A 41 7.440 -2.902 -0.875 1.00 3.87 C ATOM 641 C GLN A 41 6.544 -3.841 -0.144 1.00 4.79 C ATOM 642 O GLN A 41 5.756 -4.642 -0.644 1.00 6.34 O ATOM 643 CB GLN A 41 6.392 -2.211 -1.764 1.00 4.20 C ATOM 644 CG GLN A 41 7.019 -1.036 -2.518 1.00 3.20 C ATOM 645 CD GLN A 41 5.845 -0.436 -3.279 1.00 4.89 C ATOM 646 OE1 GLN A 41 4.864 0.008 -2.685 1.00 5.21 O ATOM 647 NE2 GLN A 41 5.905 -0.358 -4.635 1.00 7.13 N ATOM 0 H GLN A 41 8.407 -3.393 -2.625 1.00 6.52 H new ATOM 0 HA GLN A 41 8.022 -2.250 -0.223 1.00 3.87 H new ATOM 0 HB2 GLN A 41 5.979 -2.928 -2.474 1.00 4.20 H new ATOM 0 HB3 GLN A 41 5.563 -1.857 -1.151 1.00 4.20 H new ATOM 0 HG2 GLN A 41 7.466 -0.314 -1.835 1.00 3.20 H new ATOM 0 HG3 GLN A 41 7.808 -1.367 -3.193 1.00 3.20 H new ATOM 0 HE21 GLN A 41 6.717 -0.725 -5.132 1.00 7.13 H new ATOM 0 HE22 GLN A 41 5.138 0.068 -5.156 1.00 7.13 H new ATOM 656 N ARG A 42 6.661 -3.839 1.196 1.00 5.73 N ATOM 657 CA ARG A 42 6.069 -4.654 2.212 1.00 6.97 C ATOM 658 C ARG A 42 5.051 -3.786 2.868 1.00 7.15 C ATOM 659 O ARG A 42 5.413 -2.802 3.510 1.00 7.33 O ATOM 660 CB ARG A 42 7.065 -5.380 3.132 1.00 13.23 C ATOM 661 CG ARG A 42 6.434 -6.425 4.055 1.00 21.27 C ATOM 662 CD ARG A 42 7.403 -6.801 5.178 1.00 26.14 C ATOM 663 NE ARG A 42 7.052 -8.150 5.704 1.00 32.26 N ATOM 664 CZ ARG A 42 7.852 -8.880 6.535 1.00 34.32 C ATOM 665 NH1 ARG A 42 9.066 -8.398 6.930 1.00 35.30 N ATOM 666 NH2 ARG A 42 7.372 -10.041 7.068 1.00 36.39 N ATOM 0 H ARG A 42 7.274 -3.149 1.630 1.00 5.73 H new ATOM 0 HA ARG A 42 5.581 -5.532 1.788 1.00 6.97 H new ATOM 0 HB2 ARG A 42 7.820 -5.868 2.515 1.00 13.23 H new ATOM 0 HB3 ARG A 42 7.582 -4.640 3.743 1.00 13.23 H new ATOM 0 HG2 ARG A 42 5.510 -6.033 4.480 1.00 21.27 H new ATOM 0 HG3 ARG A 42 6.170 -7.314 3.482 1.00 21.27 H new ATOM 0 HD2 ARG A 42 8.427 -6.799 4.805 1.00 26.14 H new ATOM 0 HD3 ARG A 42 7.354 -6.062 5.978 1.00 26.14 H new ATOM 0 HE ARG A 42 6.158 -8.554 5.426 1.00 32.26 H new ATOM 0 HH11 ARG A 42 9.383 -7.485 6.604 1.00 35.30 H new ATOM 0 HH12 ARG A 42 9.657 -8.951 7.551 1.00 35.30 H new ATOM 0 HH21 ARG A 42 6.427 -10.353 6.844 1.00 36.39 H new ATOM 0 HH22 ARG A 42 7.958 -10.597 7.691 1.00 36.39 H new ATOM 680 N LEU A 43 3.755 -4.082 2.661 1.00 4.65 N ATOM 681 CA LEU A 43 2.648 -3.208 2.894 1.00 3.51 C ATOM 682 C LEU A 43 2.029 -3.579 4.198 1.00 5.56 C ATOM 683 O LEU A 43 1.316 -4.560 4.408 1.00 4.19 O ATOM 684 CB LEU A 43 1.616 -3.154 1.755 1.00 3.74 C ATOM 685 CG LEU A 43 0.444 -2.167 1.889 1.00 6.32 C ATOM 686 CD1 LEU A 43 0.967 -0.755 2.205 1.00 6.41 C ATOM 687 CD2 LEU A 43 -0.422 -2.047 0.624 1.00 9.55 C ATOM 0 H LEU A 43 3.463 -4.993 2.307 1.00 4.65 H new ATOM 0 HA LEU A 43 3.033 -2.189 2.929 1.00 3.51 H new ATOM 0 HB2 LEU A 43 2.148 -2.918 0.833 1.00 3.74 H new ATOM 0 HB3 LEU A 43 1.199 -4.154 1.635 1.00 3.74 H new ATOM 0 HG LEU A 43 -0.171 -2.571 2.693 1.00 6.32 H new ATOM 0 HD11 LEU A 43 0.126 -0.068 2.297 1.00 6.41 H new ATOM 0 HD12 LEU A 43 1.524 -0.774 3.142 1.00 6.41 H new ATOM 0 HD13 LEU A 43 1.622 -0.421 1.400 1.00 6.41 H new ATOM 0 HD21 LEU A 43 -1.226 -1.332 0.800 1.00 9.55 H new ATOM 0 HD22 LEU A 43 0.194 -1.703 -0.207 1.00 9.55 H new ATOM 0 HD23 LEU A 43 -0.848 -3.020 0.381 1.00 9.55 H new ATOM 699 N ILE A 44 2.203 -2.718 5.216 1.00 4.58 N ATOM 700 CA ILE A 44 1.782 -3.008 6.552 1.00 5.55 C ATOM 701 C ILE A 44 0.573 -2.241 6.963 1.00 5.46 C ATOM 702 O ILE A 44 0.401 -1.064 6.651 1.00 6.04 O ATOM 703 CB ILE A 44 2.878 -2.702 7.529 1.00 6.80 C ATOM 704 CG1 ILE A 44 4.069 -3.659 7.355 1.00 10.31 C ATOM 705 CG2 ILE A 44 2.445 -2.681 9.004 1.00 7.39 C ATOM 706 CD1 ILE A 44 3.771 -5.129 7.650 1.00 13.90 C ATOM 0 H ILE A 44 2.644 -1.804 5.110 1.00 4.58 H new ATOM 0 HA ILE A 44 1.536 -4.070 6.560 1.00 5.55 H new ATOM 0 HB ILE A 44 3.176 -1.683 7.285 1.00 6.80 H new ATOM 0 HG12 ILE A 44 4.434 -3.577 6.331 1.00 10.31 H new ATOM 0 HG13 ILE A 44 4.877 -3.330 8.008 1.00 10.31 H new ATOM 0 HG21 ILE A 44 3.305 -2.451 9.633 1.00 7.39 H new ATOM 0 HG22 ILE A 44 1.678 -1.920 9.147 1.00 7.39 H new ATOM 0 HG23 ILE A 44 2.044 -3.657 9.280 1.00 7.39 H new ATOM 0 HD11 ILE A 44 4.674 -5.721 7.498 1.00 13.90 H new ATOM 0 HD12 ILE A 44 3.438 -5.233 8.683 1.00 13.90 H new ATOM 0 HD13 ILE A 44 2.988 -5.483 6.979 1.00 13.90 H new ATOM 718 N PHE A 45 -0.301 -2.842 7.790 1.00 6.75 N ATOM 719 CA PHE A 45 -1.443 -2.262 8.426 1.00 4.70 C ATOM 720 C PHE A 45 -1.352 -2.615 9.871 1.00 6.34 C ATOM 721 O PHE A 45 -1.608 -3.715 10.357 1.00 5.45 O ATOM 722 CB PHE A 45 -2.677 -2.883 7.750 1.00 5.51 C ATOM 723 CG PHE A 45 -4.041 -2.762 8.336 1.00 5.98 C ATOM 724 CD1 PHE A 45 -4.559 -1.525 8.638 1.00 6.86 C ATOM 725 CD2 PHE A 45 -4.796 -3.886 8.576 1.00 5.87 C ATOM 726 CE1 PHE A 45 -5.841 -1.440 9.128 1.00 6.68 C ATOM 727 CE2 PHE A 45 -6.101 -3.820 9.005 1.00 6.64 C ATOM 728 CZ PHE A 45 -6.591 -2.575 9.322 1.00 6.84 C ATOM 0 H PHE A 45 -0.196 -3.827 8.035 1.00 6.75 H new ATOM 0 HA PHE A 45 -1.502 -1.177 8.338 1.00 4.70 H new ATOM 0 HB2 PHE A 45 -2.728 -2.465 6.744 1.00 5.51 H new ATOM 0 HB3 PHE A 45 -2.474 -3.949 7.643 1.00 5.51 H new ATOM 0 HD1 PHE A 45 -3.968 -0.633 8.493 1.00 6.86 H new ATOM 0 HD2 PHE A 45 -4.348 -4.856 8.422 1.00 5.87 H new ATOM 0 HE1 PHE A 45 -6.262 -0.473 9.362 1.00 6.68 H new ATOM 0 HE2 PHE A 45 -6.713 -4.706 9.089 1.00 6.64 H new ATOM 0 HZ PHE A 45 -7.586 -2.487 9.732 1.00 6.84 H new ATOM 738 N ALA A 46 -0.878 -1.649 10.677 1.00 6.53 N ATOM 739 CA ALA A 46 -0.622 -1.746 12.081 1.00 7.15 C ATOM 740 C ALA A 46 0.531 -2.607 12.468 1.00 9.00 C ATOM 741 O ALA A 46 1.622 -2.115 12.751 1.00 11.15 O ATOM 742 CB ALA A 46 -1.891 -2.131 12.859 1.00 8.99 C ATOM 0 H ALA A 46 -0.655 -0.722 10.314 1.00 6.53 H new ATOM 0 HA ALA A 46 -0.317 -0.739 12.367 1.00 7.15 H new ATOM 0 HB1 ALA A 46 -1.660 -2.196 13.922 1.00 8.99 H new ATOM 0 HB2 ALA A 46 -2.659 -1.374 12.700 1.00 8.99 H new ATOM 0 HB3 ALA A 46 -2.255 -3.096 12.507 1.00 8.99 H new ATOM 748 N GLY A 47 0.333 -3.936 12.398 1.00 9.35 N ATOM 749 CA GLY A 47 1.326 -4.954 12.552 1.00 11.68 C ATOM 750 C GLY A 47 1.119 -6.130 11.660 1.00 11.14 C ATOM 751 O GLY A 47 1.988 -6.994 11.553 1.00 13.93 O ATOM 0 H GLY A 47 -0.592 -4.327 12.220 1.00 9.35 H new ATOM 0 HA2 GLY A 47 2.308 -4.525 12.352 1.00 11.68 H new ATOM 0 HA3 GLY A 47 1.331 -5.291 13.589 1.00 11.68 H new ATOM 755 N LYS A 48 0.082 -6.133 10.804 1.00 10.47 N ATOM 756 CA LYS A 48 -0.162 -7.129 9.807 1.00 8.82 C ATOM 757 C LYS A 48 0.315 -6.651 8.479 1.00 7.68 C ATOM 758 O LYS A 48 0.235 -5.470 8.144 1.00 6.47 O ATOM 759 CB LYS A 48 -1.648 -7.518 9.716 1.00 9.74 C ATOM 760 CG LYS A 48 -2.143 -8.456 10.818 1.00 14.14 C ATOM 761 CD LYS A 48 -1.849 -9.936 10.565 1.00 16.32 C ATOM 762 CE LYS A 48 -2.508 -10.510 9.309 1.00 20.04 C ATOM 763 NZ LYS A 48 -1.824 -11.740 8.850 1.00 23.92 N ATOM 0 H LYS A 48 -0.626 -5.399 10.808 1.00 10.47 H new ATOM 0 HA LYS A 48 0.392 -8.020 10.102 1.00 8.82 H new ATOM 0 HB2 LYS A 48 -2.248 -6.608 9.739 1.00 9.74 H new ATOM 0 HB3 LYS A 48 -1.825 -7.992 8.751 1.00 9.74 H new ATOM 0 HG2 LYS A 48 -1.684 -8.163 11.762 1.00 14.14 H new ATOM 0 HG3 LYS A 48 -3.219 -8.326 10.933 1.00 14.14 H new ATOM 0 HD2 LYS A 48 -0.770 -10.071 10.487 1.00 16.32 H new ATOM 0 HD3 LYS A 48 -2.181 -10.512 11.429 1.00 16.32 H new ATOM 0 HE2 LYS A 48 -3.555 -10.730 9.515 1.00 20.04 H new ATOM 0 HE3 LYS A 48 -2.490 -9.764 8.514 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 -2.296 -12.102 7.997 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 -0.831 -11.523 8.630 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 -1.864 -12.460 9.600 1.00 23.92 H new ATOM 777 N GLN A 49 0.797 -7.611 7.670 1.00 8.89 N ATOM 778 CA GLN A 49 1.015 -7.489 6.262 1.00 7.18 C ATOM 779 C GLN A 49 -0.094 -7.877 5.345 1.00 8.23 C ATOM 780 O GLN A 49 -0.424 -9.056 5.233 1.00 9.70 O ATOM 781 CB GLN A 49 2.366 -8.051 5.789 1.00 11.67 C ATOM 782 CG GLN A 49 2.641 -7.778 4.309 1.00 15.82 C ATOM 783 CD GLN A 49 3.539 -8.898 3.803 1.00 20.21 C ATOM 784 OE1 GLN A 49 4.590 -9.144 4.392 1.00 23.23 O ATOM 785 NE2 GLN A 49 3.260 -9.608 2.677 1.00 20.67 N ATOM 0 H GLN A 49 1.051 -8.533 8.024 1.00 8.89 H new ATOM 0 HA GLN A 49 1.042 -6.403 6.168 1.00 7.18 H new ATOM 0 HB2 GLN A 49 3.165 -7.614 6.388 1.00 11.67 H new ATOM 0 HB3 GLN A 49 2.388 -9.127 5.965 1.00 11.67 H new ATOM 0 HG2 GLN A 49 1.709 -7.747 3.744 1.00 15.82 H new ATOM 0 HG3 GLN A 49 3.124 -6.810 4.180 1.00 15.82 H new ATOM 0 HE21 GLN A 49 2.397 -9.430 2.163 1.00 20.67 H new ATOM 0 HE22 GLN A 49 3.914 -10.318 2.347 1.00 20.67 H new ATOM 794 N LEU A 50 -0.594 -6.895 4.574 1.00 6.51 N ATOM 795 CA LEU A 50 -1.513 -6.883 3.478 1.00 7.41 C ATOM 796 C LEU A 50 -1.000 -7.576 2.262 1.00 8.27 C ATOM 797 O LEU A 50 0.108 -7.244 1.845 1.00 8.34 O ATOM 798 CB LEU A 50 -2.058 -5.498 3.093 1.00 7.13 C ATOM 799 CG LEU A 50 -2.564 -4.566 4.208 1.00 7.53 C ATOM 800 CD1 LEU A 50 -2.861 -3.150 3.687 1.00 9.11 C ATOM 801 CD2 LEU A 50 -3.779 -5.264 4.842 1.00 8.14 C ATOM 0 H LEU A 50 -0.292 -5.939 4.762 1.00 6.51 H new ATOM 0 HA LEU A 50 -2.353 -7.451 3.877 1.00 7.41 H new ATOM 0 HB2 LEU A 50 -1.270 -4.971 2.554 1.00 7.13 H new ATOM 0 HB3 LEU A 50 -2.878 -5.649 2.391 1.00 7.13 H new ATOM 0 HG LEU A 50 -1.800 -4.404 4.968 1.00 7.53 H new ATOM 0 HD11 LEU A 50 -3.215 -2.527 4.508 1.00 9.11 H new ATOM 0 HD12 LEU A 50 -1.952 -2.718 3.270 1.00 9.11 H new ATOM 0 HD13 LEU A 50 -3.627 -3.200 2.913 1.00 9.11 H new ATOM 0 HD21 LEU A 50 -4.179 -4.642 5.643 1.00 8.14 H new ATOM 0 HD22 LEU A 50 -4.547 -5.417 4.084 1.00 8.14 H new ATOM 0 HD23 LEU A 50 -3.473 -6.228 5.249 1.00 8.14 H new ATOM 813 N GLU A 51 -1.794 -8.464 1.638 1.00 9.43 N ATOM 814 CA GLU A 51 -1.348 -9.351 0.609 1.00 11.90 C ATOM 815 C GLU A 51 -2.102 -9.023 -0.634 1.00 11.49 C ATOM 816 O GLU A 51 -3.237 -8.551 -0.592 1.00 9.88 O ATOM 817 CB GLU A 51 -1.541 -10.797 1.095 1.00 16.56 C ATOM 818 CG GLU A 51 -0.714 -11.165 2.328 1.00 26.06 C ATOM 819 CD GLU A 51 -0.979 -12.542 2.921 1.00 29.86 C ATOM 820 OE1 GLU A 51 -0.428 -13.539 2.382 1.00 33.44 O ATOM 821 OE2 GLU A 51 -1.818 -12.619 3.857 1.00 32.13 O ATOM 0 H GLU A 51 -2.784 -8.568 1.859 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.288 -9.239 0.382 1.00 11.90 H new ATOM 0 HB2 GLU A 51 -2.596 -10.954 1.320 1.00 16.56 H new ATOM 0 HB3 GLU A 51 -1.283 -11.478 0.283 1.00 16.56 H new ATOM 0 HG2 GLU A 51 0.342 -11.101 2.065 1.00 26.06 H new ATOM 0 HG3 GLU A 51 -0.896 -10.417 3.100 1.00 26.06 H new ATOM 828 N ASP A 52 -1.361 -9.207 -1.741 1.00 12.71 N ATOM 829 CA ASP A 52 -1.631 -8.586 -3.000 1.00 16.56 C ATOM 830 C ASP A 52 -2.943 -8.929 -3.618 1.00 15.83 C ATOM 831 O ASP A 52 -3.604 -8.166 -4.320 1.00 17.21 O ATOM 832 CB ASP A 52 -0.573 -8.781 -4.100 1.00 21.05 C ATOM 833 CG ASP A 52 0.753 -8.331 -3.504 1.00 25.12 C ATOM 834 OD1 ASP A 52 1.437 -9.175 -2.865 1.00 28.37 O ATOM 835 OD2 ASP A 52 1.234 -7.168 -3.559 1.00 25.82 O ATOM 0 H ASP A 52 -0.541 -9.813 -1.759 1.00 12.71 H new ATOM 0 HA ASP A 52 -1.626 -7.546 -2.673 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.525 -9.824 -4.412 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -0.820 -8.195 -4.985 1.00 21.05 H new ATOM 840 N GLY A 53 -3.540 -10.106 -3.357 1.00 15.00 N ATOM 841 CA GLY A 53 -4.638 -10.628 -4.110 1.00 11.77 C ATOM 842 C GLY A 53 -5.995 -10.525 -3.503 1.00 11.10 C ATOM 843 O GLY A 53 -6.874 -11.324 -3.820 1.00 11.25 O ATOM 0 H GLY A 53 -3.247 -10.716 -2.594 1.00 15.00 H new ATOM 0 HA2 GLY A 53 -4.660 -10.117 -5.073 1.00 11.77 H new ATOM 0 HA3 GLY A 53 -4.438 -11.680 -4.312 1.00 11.77 H new ATOM 847 N ARG A 54 -6.143 -9.541 -2.598 1.00 8.53 N ATOM 848 CA ARG A 54 -7.373 -9.390 -1.884 1.00 9.05 C ATOM 849 C ARG A 54 -7.814 -7.972 -1.998 1.00 8.96 C ATOM 850 O ARG A 54 -7.020 -7.133 -2.422 1.00 11.60 O ATOM 851 CB ARG A 54 -7.118 -9.711 -0.401 1.00 7.97 C ATOM 852 CG ARG A 54 -7.051 -11.196 -0.042 1.00 9.62 C ATOM 853 CD ARG A 54 -6.718 -11.560 1.406 1.00 12.20 C ATOM 854 NE ARG A 54 -7.895 -11.236 2.260 1.00 18.23 N ATOM 855 CZ ARG A 54 -8.170 -11.864 3.440 1.00 22.08 C ATOM 856 NH1 ARG A 54 -7.130 -12.428 4.123 1.00 23.38 N ATOM 857 NH2 ARG A 54 -9.455 -12.012 3.875 1.00 25.50 N ATOM 0 H ARG A 54 -5.422 -8.859 -2.363 1.00 8.53 H new ATOM 0 HA ARG A 54 -8.135 -10.056 -2.289 1.00 9.05 H new ATOM 0 HB2 ARG A 54 -6.180 -9.242 -0.104 1.00 7.97 H new ATOM 0 HB3 ARG A 54 -7.907 -9.249 0.192 1.00 7.97 H new ATOM 0 HG2 ARG A 54 -8.013 -11.645 -0.289 1.00 9.62 H new ATOM 0 HG3 ARG A 54 -6.306 -11.664 -0.686 1.00 9.62 H new ATOM 0 HD2 ARG A 54 -6.475 -12.620 1.483 1.00 12.20 H new ATOM 0 HD3 ARG A 54 -5.842 -11.006 1.743 1.00 12.20 H new ATOM 0 HE ARG A 54 -8.531 -10.504 1.945 1.00 18.23 H new ATOM 0 HH11 ARG A 54 -6.183 -12.372 3.748 1.00 23.38 H new ATOM 0 HH12 ARG A 54 -7.300 -12.905 5.008 1.00 23.38 H new ATOM 0 HH21 ARG A 54 -10.228 -11.651 3.316 1.00 25.50 H new ATOM 0 HH22 ARG A 54 -9.643 -12.484 4.759 1.00 25.50 H new ATOM 871 N THR A 55 -9.073 -7.660 -1.643 1.00 9.05 N ATOM 872 CA THR A 55 -9.588 -6.344 -1.858 1.00 9.03 C ATOM 873 C THR A 55 -9.394 -5.490 -0.653 1.00 8.15 C ATOM 874 O THR A 55 -9.166 -5.945 0.466 1.00 5.91 O ATOM 875 CB THR A 55 -10.967 -6.209 -2.433 1.00 11.15 C ATOM 876 OG1 THR A 55 -12.012 -6.542 -1.531 1.00 11.95 O ATOM 877 CG2 THR A 55 -11.105 -7.048 -3.715 1.00 11.71 C ATOM 0 H THR A 55 -9.729 -8.311 -1.211 1.00 9.05 H new ATOM 0 HA THR A 55 -8.975 -5.976 -2.681 1.00 9.03 H new ATOM 0 HB THR A 55 -11.081 -5.149 -2.659 1.00 11.15 H new ATOM 0 HG1 THR A 55 -12.877 -6.428 -1.976 1.00 11.95 H new ATOM 0 HG21 THR A 55 -12.112 -6.936 -4.116 1.00 11.71 H new ATOM 0 HG22 THR A 55 -10.380 -6.706 -4.454 1.00 11.71 H new ATOM 0 HG23 THR A 55 -10.920 -8.097 -3.485 1.00 11.71 H new ATOM 885 N LEU A 56 -9.406 -4.167 -0.898 1.00 6.91 N ATOM 886 CA LEU A 56 -9.470 -3.156 0.111 1.00 8.29 C ATOM 887 C LEU A 56 -10.641 -3.300 1.022 1.00 8.05 C ATOM 888 O LEU A 56 -10.597 -3.055 2.227 1.00 10.17 O ATOM 889 CB LEU A 56 -9.350 -1.726 -0.440 1.00 6.60 C ATOM 890 CG LEU A 56 -7.994 -1.424 -1.100 1.00 7.73 C ATOM 891 CD1 LEU A 56 -8.075 -0.210 -2.041 1.00 8.64 C ATOM 892 CD2 LEU A 56 -6.983 -1.083 0.007 1.00 9.85 C ATOM 0 H LEU A 56 -9.369 -3.785 -1.843 1.00 6.91 H new ATOM 0 HA LEU A 56 -8.581 -3.326 0.719 1.00 8.29 H new ATOM 0 HB2 LEU A 56 -10.143 -1.561 -1.169 1.00 6.60 H new ATOM 0 HB3 LEU A 56 -9.513 -1.019 0.373 1.00 6.60 H new ATOM 0 HG LEU A 56 -7.697 -2.299 -1.677 1.00 7.73 H new ATOM 0 HD11 LEU A 56 -7.097 -0.030 -2.487 1.00 8.64 H new ATOM 0 HD12 LEU A 56 -8.802 -0.408 -2.828 1.00 8.64 H new ATOM 0 HD13 LEU A 56 -8.383 0.669 -1.475 1.00 8.64 H new ATOM 0 HD21 LEU A 56 -6.013 -0.865 -0.440 1.00 9.85 H new ATOM 0 HD22 LEU A 56 -7.331 -0.211 0.561 1.00 9.85 H new ATOM 0 HD23 LEU A 56 -6.887 -1.930 0.686 1.00 9.85 H new ATOM 904 N SER A 57 -11.791 -3.778 0.515 1.00 8.92 N ATOM 905 CA SER A 57 -12.991 -4.179 1.182 1.00 9.00 C ATOM 906 C SER A 57 -13.034 -5.513 1.846 1.00 9.44 C ATOM 907 O SER A 57 -13.766 -5.709 2.814 1.00 10.91 O ATOM 908 CB SER A 57 -14.201 -4.152 0.234 1.00 10.32 C ATOM 909 OG SER A 57 -15.412 -4.067 0.970 1.00 13.59 O ATOM 0 H SER A 57 -11.887 -3.897 -0.493 1.00 8.92 H new ATOM 0 HA SER A 57 -13.020 -3.434 1.977 1.00 9.00 H new ATOM 0 HB2 SER A 57 -14.120 -3.301 -0.443 1.00 10.32 H new ATOM 0 HB3 SER A 57 -14.207 -5.051 -0.383 1.00 10.32 H new ATOM 0 HG SER A 57 -16.171 -4.049 0.350 1.00 13.59 H new ATOM 915 N ASP A 58 -12.234 -6.510 1.428 1.00 9.11 N ATOM 916 CA ASP A 58 -11.975 -7.736 2.117 1.00 7.91 C ATOM 917 C ASP A 58 -11.326 -7.534 3.443 1.00 9.12 C ATOM 918 O ASP A 58 -11.698 -8.157 4.437 1.00 8.61 O ATOM 919 CB ASP A 58 -11.251 -8.667 1.130 1.00 8.41 C ATOM 920 CG ASP A 58 -10.991 -10.088 1.610 1.00 11.50 C ATOM 921 OD1 ASP A 58 -11.551 -10.575 2.628 1.00 10.05 O ATOM 922 OD2 ASP A 58 -10.168 -10.847 1.032 1.00 11.70 O ATOM 0 H ASP A 58 -11.731 -6.454 0.542 1.00 9.11 H new ATOM 0 HA ASP A 58 -12.900 -8.230 2.415 1.00 7.91 H new ATOM 0 HB2 ASP A 58 -11.839 -8.718 0.214 1.00 8.41 H new ATOM 0 HB3 ASP A 58 -10.295 -8.213 0.870 1.00 8.41 H new ATOM 927 N TYR A 59 -10.272 -6.700 3.498 1.00 7.97 N ATOM 928 CA TYR A 59 -9.459 -6.336 4.616 1.00 8.45 C ATOM 929 C TYR A 59 -10.105 -5.267 5.429 1.00 10.98 C ATOM 930 O TYR A 59 -9.588 -5.050 6.524 1.00 12.95 O ATOM 931 CB TYR A 59 -8.118 -5.747 4.146 1.00 7.94 C ATOM 932 CG TYR A 59 -7.119 -6.779 3.748 1.00 6.91 C ATOM 933 CD1 TYR A 59 -6.604 -7.514 4.790 1.00 6.98 C ATOM 934 CD2 TYR A 59 -6.541 -6.876 2.504 1.00 4.59 C ATOM 935 CE1 TYR A 59 -5.621 -8.443 4.542 1.00 6.52 C ATOM 936 CE2 TYR A 59 -5.556 -7.803 2.260 1.00 5.39 C ATOM 937 CZ TYR A 59 -5.068 -8.572 3.290 1.00 6.76 C ATOM 938 OH TYR A 59 -3.997 -9.460 3.051 1.00 7.63 O ATOM 0 H TYR A 59 -9.955 -6.225 2.653 1.00 7.97 H new ATOM 0 HA TYR A 59 -9.319 -7.246 5.199 1.00 8.45 H new ATOM 0 HB2 TYR A 59 -8.299 -5.083 3.300 1.00 7.94 H new ATOM 0 HB3 TYR A 59 -7.699 -5.137 4.946 1.00 7.94 H new ATOM 0 HD1 TYR A 59 -6.969 -7.363 5.795 1.00 6.98 H new ATOM 0 HD2 TYR A 59 -6.864 -6.218 1.711 1.00 4.59 H new ATOM 0 HE1 TYR A 59 -5.278 -9.081 5.343 1.00 6.52 H new ATOM 0 HE2 TYR A 59 -5.166 -7.927 1.261 1.00 5.39 H new ATOM 0 HH TYR A 59 -4.274 -10.374 3.271 1.00 7.63 H new ATOM 948 N ASN A 60 -11.117 -4.525 4.946 1.00 12.38 N ATOM 949 CA ASN A 60 -11.827 -3.452 5.570 1.00 13.94 C ATOM 950 C ASN A 60 -10.862 -2.393 5.981 1.00 14.16 C ATOM 951 O ASN A 60 -10.793 -1.968 7.133 1.00 14.26 O ATOM 952 CB ASN A 60 -12.695 -4.010 6.710 1.00 19.23 C ATOM 953 CG ASN A 60 -13.518 -5.188 6.207 1.00 22.65 C ATOM 954 OD1 ASN A 60 -14.596 -5.124 5.619 1.00 25.45 O ATOM 955 ND2 ASN A 60 -12.929 -6.397 6.408 1.00 24.09 N ATOM 0 H ASN A 60 -11.477 -4.701 4.008 1.00 12.38 H new ATOM 0 HA ASN A 60 -12.518 -2.972 4.877 1.00 13.94 H new ATOM 0 HB2 ASN A 60 -12.062 -4.325 7.539 1.00 19.23 H new ATOM 0 HB3 ASN A 60 -13.355 -3.231 7.091 1.00 19.23 H new ATOM 0 HD21 ASN A 60 -13.381 -7.247 6.071 1.00 24.09 H new ATOM 0 HD22 ASN A 60 -12.035 -6.454 6.895 1.00 24.09 H new ATOM 962 N ILE A 61 -10.069 -2.043 4.953 1.00 11.08 N ATOM 963 CA ILE A 61 -9.296 -0.840 4.929 1.00 11.78 C ATOM 964 C ILE A 61 -10.225 0.323 4.882 1.00 13.74 C ATOM 965 O ILE A 61 -11.076 0.356 3.995 1.00 14.60 O ATOM 966 CB ILE A 61 -8.376 -0.882 3.745 1.00 11.80 C ATOM 967 CG1 ILE A 61 -7.454 -2.112 3.782 1.00 11.56 C ATOM 968 CG2 ILE A 61 -7.771 0.503 3.455 1.00 13.29 C ATOM 969 CD1 ILE A 61 -6.645 -2.316 5.062 1.00 11.42 C ATOM 0 H ILE A 61 -9.962 -2.613 4.114 1.00 11.08 H new ATOM 0 HA ILE A 61 -8.682 -0.742 5.825 1.00 11.78 H new ATOM 0 HB ILE A 61 -8.933 -1.070 2.827 1.00 11.80 H new ATOM 0 HG12 ILE A 61 -8.063 -3.001 3.618 1.00 11.56 H new ATOM 0 HG13 ILE A 61 -6.759 -2.043 2.946 1.00 11.56 H new ATOM 0 HG21 ILE A 61 -7.109 0.437 2.591 1.00 13.29 H new ATOM 0 HG22 ILE A 61 -8.571 1.213 3.246 1.00 13.29 H new ATOM 0 HG23 ILE A 61 -7.203 0.841 4.322 1.00 13.29 H new ATOM 0 HD11 ILE A 61 -6.035 -3.214 4.967 1.00 11.42 H new ATOM 0 HD12 ILE A 61 -5.999 -1.454 5.225 1.00 11.42 H new ATOM 0 HD13 ILE A 61 -7.324 -2.426 5.908 1.00 11.42 H new ATOM 981 N GLN A 62 -10.211 1.250 5.857 1.00 13.97 N ATOM 982 CA GLN A 62 -11.088 2.373 5.974 1.00 15.52 C ATOM 983 C GLN A 62 -10.595 3.505 5.140 1.00 13.94 C ATOM 984 O GLN A 62 -9.528 3.397 4.537 1.00 12.15 O ATOM 985 CB GLN A 62 -11.221 2.892 7.415 1.00 19.53 C ATOM 986 CG GLN A 62 -12.016 1.981 8.353 1.00 26.38 C ATOM 987 CD GLN A 62 -11.727 2.472 9.764 1.00 30.61 C ATOM 988 OE1 GLN A 62 -12.201 3.500 10.245 1.00 33.23 O ATOM 989 NE2 GLN A 62 -10.931 1.627 10.471 1.00 32.71 N ATOM 0 H GLN A 62 -9.535 1.210 6.620 1.00 13.97 H new ATOM 0 HA GLN A 62 -12.063 2.019 5.638 1.00 15.52 H new ATOM 0 HB2 GLN A 62 -10.223 3.034 7.829 1.00 19.53 H new ATOM 0 HB3 GLN A 62 -11.699 3.871 7.391 1.00 19.53 H new ATOM 0 HG2 GLN A 62 -13.083 2.031 8.134 1.00 26.38 H new ATOM 0 HG3 GLN A 62 -11.715 0.940 8.233 1.00 26.38 H new ATOM 0 HE21 GLN A 62 -10.561 0.786 10.029 1.00 32.71 H new ATOM 0 HE22 GLN A 62 -10.704 1.834 11.444 1.00 32.71 H new ATOM 998 N LYS A 63 -11.339 4.624 5.082 1.00 11.73 N ATOM 999 CA LYS A 63 -11.069 5.828 4.358 1.00 11.97 C ATOM 1000 C LYS A 63 -10.128 6.679 5.139 1.00 10.41 C ATOM 1001 O LYS A 63 -10.317 6.772 6.351 1.00 9.59 O ATOM 1002 CB LYS A 63 -12.272 6.778 4.239 1.00 13.73 C ATOM 1003 CG LYS A 63 -13.467 5.960 3.744 1.00 16.98 C ATOM 1004 CD LYS A 63 -14.773 6.744 3.594 1.00 20.19 C ATOM 1005 CE LYS A 63 -15.918 6.111 2.801 1.00 23.42 C ATOM 1006 NZ LYS A 63 -16.317 4.894 3.543 1.00 25.97 N ATOM 0 H LYS A 63 -12.218 4.690 5.595 1.00 11.73 H new ATOM 0 HA LYS A 63 -10.723 5.474 3.387 1.00 11.97 H new ATOM 0 HB2 LYS A 63 -12.495 7.235 5.203 1.00 13.73 H new ATOM 0 HB3 LYS A 63 -12.051 7.589 3.545 1.00 13.73 H new ATOM 0 HG2 LYS A 63 -13.212 5.521 2.780 1.00 16.98 H new ATOM 0 HG3 LYS A 63 -13.634 5.135 4.436 1.00 16.98 H new ATOM 0 HD2 LYS A 63 -15.145 6.963 4.595 1.00 20.19 H new ATOM 0 HD3 LYS A 63 -14.534 7.699 3.126 1.00 20.19 H new ATOM 0 HE2 LYS A 63 -16.756 6.802 2.709 1.00 23.42 H new ATOM 0 HE3 LYS A 63 -15.598 5.862 1.789 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 -17.109 4.432 3.052 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 -15.511 4.238 3.594 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 -16.612 5.155 4.506 1.00 25.97 H new ATOM 1020 N GLU A 64 -9.077 7.257 4.530 1.00 10.04 N ATOM 1021 CA GLU A 64 -8.025 8.036 5.106 1.00 10.94 C ATOM 1022 C GLU A 64 -7.240 7.380 6.190 1.00 9.74 C ATOM 1023 O GLU A 64 -6.705 7.987 7.116 1.00 9.42 O ATOM 1024 CB GLU A 64 -8.615 9.374 5.582 1.00 18.31 C ATOM 1025 CG GLU A 64 -9.352 10.160 4.496 1.00 24.16 C ATOM 1026 CD GLU A 64 -9.210 11.663 4.693 1.00 29.00 C ATOM 1027 OE1 GLU A 64 -9.440 12.094 5.854 1.00 32.61 O ATOM 1028 OE2 GLU A 64 -8.928 12.370 3.689 1.00 31.72 O ATOM 0 H GLU A 64 -8.954 7.166 3.522 1.00 10.04 H new ATOM 0 HA GLU A 64 -7.287 8.179 4.317 1.00 10.94 H new ATOM 0 HB2 GLU A 64 -9.303 9.182 6.405 1.00 18.31 H new ATOM 0 HB3 GLU A 64 -7.809 9.992 5.978 1.00 18.31 H new ATOM 0 HG2 GLU A 64 -8.960 9.883 3.517 1.00 24.16 H new ATOM 0 HG3 GLU A 64 -10.408 9.890 4.505 1.00 24.16 H new ATOM 1035 N SER A 65 -7.101 6.056 5.999 1.00 6.85 N ATOM 1036 CA SER A 65 -6.214 5.140 6.645 1.00 6.90 C ATOM 1037 C SER A 65 -4.804 5.334 6.202 1.00 4.72 C ATOM 1038 O SER A 65 -4.385 5.420 5.049 1.00 3.91 O ATOM 1039 CB SER A 65 -6.715 3.713 6.362 1.00 7.28 C ATOM 1040 OG SER A 65 -6.139 2.700 7.174 1.00 10.56 O ATOM 0 H SER A 65 -7.680 5.576 5.310 1.00 6.85 H new ATOM 0 HA SER A 65 -6.214 5.320 7.720 1.00 6.90 H new ATOM 0 HB2 SER A 65 -7.797 3.692 6.494 1.00 7.28 H new ATOM 0 HB3 SER A 65 -6.517 3.476 5.317 1.00 7.28 H new ATOM 0 HG SER A 65 -6.515 1.829 6.927 1.00 10.56 H new ATOM 1046 N THR A 66 -3.963 5.490 7.240 1.00 4.48 N ATOM 1047 CA THR A 66 -2.551 5.680 7.128 1.00 3.80 C ATOM 1048 C THR A 66 -1.791 4.406 7.271 1.00 4.60 C ATOM 1049 O THR A 66 -1.815 3.719 8.292 1.00 5.33 O ATOM 1050 CB THR A 66 -1.889 6.625 8.086 1.00 2.85 C ATOM 1051 OG1 THR A 66 -2.431 7.931 7.953 1.00 2.15 O ATOM 1052 CG2 THR A 66 -0.366 6.794 7.948 1.00 3.40 C ATOM 0 H THR A 66 -4.286 5.483 8.208 1.00 4.48 H new ATOM 0 HA THR A 66 -2.506 6.118 6.131 1.00 3.80 H new ATOM 0 HB THR A 66 -2.085 6.157 9.051 1.00 2.85 H new ATOM 0 HG1 THR A 66 -1.989 8.535 8.586 1.00 2.15 H new ATOM 0 HG21 THR A 66 -0.009 7.502 8.696 1.00 3.40 H new ATOM 0 HG22 THR A 66 0.122 5.831 8.098 1.00 3.40 H new ATOM 0 HG23 THR A 66 -0.130 7.169 6.952 1.00 3.40 H new ATOM 1060 N LEU A 67 -1.223 3.944 6.143 1.00 4.17 N ATOM 1061 CA LEU A 67 -0.598 2.658 6.124 1.00 3.85 C ATOM 1062 C LEU A 67 0.869 2.804 6.338 1.00 3.80 C ATOM 1063 O LEU A 67 1.369 3.922 6.451 1.00 5.54 O ATOM 1064 CB LEU A 67 -0.893 2.006 4.763 1.00 7.18 C ATOM 1065 CG LEU A 67 -2.357 1.682 4.423 1.00 9.67 C ATOM 1066 CD1 LEU A 67 -2.717 1.536 2.935 1.00 11.66 C ATOM 1067 CD2 LEU A 67 -2.887 0.514 5.271 1.00 8.12 C ATOM 0 H LEU A 67 -1.196 4.450 5.258 1.00 4.17 H new ATOM 0 HA LEU A 67 -0.989 2.029 6.924 1.00 3.85 H new ATOM 0 HB2 LEU A 67 -0.507 2.665 3.986 1.00 7.18 H new ATOM 0 HB3 LEU A 67 -0.323 1.079 4.706 1.00 7.18 H new ATOM 0 HG LEU A 67 -2.886 2.594 4.699 1.00 9.67 H new ATOM 0 HD11 LEU A 67 -3.779 1.308 2.838 1.00 11.66 H new ATOM 0 HD12 LEU A 67 -2.497 2.468 2.414 1.00 11.66 H new ATOM 0 HD13 LEU A 67 -2.131 0.728 2.496 1.00 11.66 H new ATOM 0 HD21 LEU A 67 -3.924 0.312 5.004 1.00 8.12 H new ATOM 0 HD22 LEU A 67 -2.285 -0.375 5.083 1.00 8.12 H new ATOM 0 HD23 LEU A 67 -2.828 0.775 6.328 1.00 8.12 H new ATOM 1079 N HIS A 68 1.624 1.697 6.450 1.00 2.94 N ATOM 1080 CA HIS A 68 3.022 1.697 6.748 1.00 4.17 C ATOM 1081 C HIS A 68 3.810 0.884 5.779 1.00 5.32 C ATOM 1082 O HIS A 68 3.354 -0.145 5.283 1.00 7.70 O ATOM 1083 CB HIS A 68 3.303 1.268 8.198 1.00 5.57 C ATOM 1084 CG HIS A 68 2.465 1.898 9.271 1.00 9.95 C ATOM 1085 ND1 HIS A 68 2.073 3.220 9.242 1.00 13.74 N ATOM 1086 CD2 HIS A 68 1.645 1.314 10.185 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.036 3.350 10.113 1.00 14.75 C ATOM 1088 NE2 HIS A 68 0.738 2.211 10.711 1.00 16.30 N ATOM 0 H HIS A 68 1.242 0.759 6.327 1.00 2.94 H new ATOM 0 HA HIS A 68 3.356 2.729 6.643 1.00 4.17 H new ATOM 0 HB2 HIS A 68 3.177 0.187 8.261 1.00 5.57 H new ATOM 0 HB3 HIS A 68 4.349 1.481 8.417 1.00 5.57 H new ATOM 0 HD2 HIS A 68 1.697 0.272 10.466 1.00 12.79 H new ATOM 0 HE1 HIS A 68 0.516 4.279 10.295 1.00 14.75 H new ATOM 0 HE2 HIS A 68 0.008 2.035 11.401 1.00 16.30 H new ATOM 1096 N LEU A 69 4.965 1.390 5.312 1.00 5.29 N ATOM 1097 CA LEU A 69 5.711 0.683 4.318 1.00 3.97 C ATOM 1098 C LEU A 69 7.061 0.390 4.877 1.00 5.07 C ATOM 1099 O LEU A 69 7.695 1.301 5.407 1.00 4.34 O ATOM 1100 CB LEU A 69 5.862 1.583 3.080 1.00 6.08 C ATOM 1101 CG LEU A 69 6.728 0.995 1.953 1.00 7.37 C ATOM 1102 CD1 LEU A 69 6.165 -0.340 1.437 1.00 9.96 C ATOM 1103 CD2 LEU A 69 7.082 1.991 0.836 1.00 6.87 C ATOM 0 H LEU A 69 5.377 2.272 5.616 1.00 5.29 H new ATOM 0 HA LEU A 69 5.206 -0.242 4.040 1.00 3.97 H new ATOM 0 HB2 LEU A 69 4.870 1.798 2.682 1.00 6.08 H new ATOM 0 HB3 LEU A 69 6.293 2.534 3.391 1.00 6.08 H new ATOM 0 HG LEU A 69 7.693 0.771 2.408 1.00 7.37 H new ATOM 0 HD11 LEU A 69 6.805 -0.722 0.642 1.00 9.96 H new ATOM 0 HD12 LEU A 69 6.132 -1.061 2.254 1.00 9.96 H new ATOM 0 HD13 LEU A 69 5.158 -0.185 1.049 1.00 9.96 H new ATOM 0 HD21 LEU A 69 7.694 1.492 0.084 1.00 6.87 H new ATOM 0 HD22 LEU A 69 6.166 2.359 0.373 1.00 6.87 H new ATOM 0 HD23 LEU A 69 7.637 2.829 1.258 1.00 6.87 H new ATOM 1115 N VAL A 70 7.516 -0.873 4.797 1.00 4.29 N ATOM 1116 CA VAL A 70 8.856 -1.269 5.101 1.00 6.26 C ATOM 1117 C VAL A 70 9.396 -2.108 3.994 1.00 9.22 C ATOM 1118 O VAL A 70 8.685 -2.460 3.054 1.00 9.36 O ATOM 1119 CB VAL A 70 8.889 -2.001 6.410 1.00 8.69 C ATOM 1120 CG1 VAL A 70 8.209 -1.239 7.559 1.00 9.76 C ATOM 1121 CG2 VAL A 70 8.081 -3.310 6.402 1.00 8.54 C ATOM 0 H VAL A 70 6.924 -1.652 4.508 1.00 4.29 H new ATOM 0 HA VAL A 70 9.487 -0.385 5.196 1.00 6.26 H new ATOM 0 HB VAL A 70 9.960 -2.145 6.551 1.00 8.69 H new ATOM 0 HG11 VAL A 70 8.271 -1.829 8.474 1.00 9.76 H new ATOM 0 HG12 VAL A 70 8.711 -0.283 7.709 1.00 9.76 H new ATOM 0 HG13 VAL A 70 7.162 -1.065 7.311 1.00 9.76 H new ATOM 0 HG21 VAL A 70 8.149 -3.786 7.380 1.00 8.54 H new ATOM 0 HG22 VAL A 70 7.037 -3.092 6.177 1.00 8.54 H new ATOM 0 HG23 VAL A 70 8.483 -3.981 5.643 1.00 8.54 H new ATOM 1131 N LEU A 71 10.728 -2.286 3.938 1.00 12.71 N ATOM 1132 CA LEU A 71 11.362 -2.876 2.800 1.00 16.06 C ATOM 1133 C LEU A 71 11.710 -4.293 3.102 1.00 18.09 C ATOM 1134 O LEU A 71 11.884 -4.683 4.256 1.00 19.26 O ATOM 1135 CB LEU A 71 12.543 -2.022 2.309 1.00 17.10 C ATOM 1136 CG LEU A 71 12.154 -0.574 1.965 1.00 19.37 C ATOM 1137 CD1 LEU A 71 13.457 0.122 1.536 1.00 19.57 C ATOM 1138 CD2 LEU A 71 11.066 -0.468 0.883 1.00 17.51 C ATOM 0 H LEU A 71 11.369 -2.020 4.685 1.00 12.71 H new ATOM 0 HA LEU A 71 10.670 -2.897 1.958 1.00 16.06 H new ATOM 0 HB2 LEU A 71 13.316 -2.009 3.078 1.00 17.10 H new ATOM 0 HB3 LEU A 71 12.979 -2.492 1.427 1.00 17.10 H new ATOM 0 HG LEU A 71 11.704 -0.093 2.834 1.00 19.37 H new ATOM 0 HD11 LEU A 71 13.247 1.160 1.277 1.00 19.57 H new ATOM 0 HD12 LEU A 71 14.174 0.091 2.357 1.00 19.57 H new ATOM 0 HD13 LEU A 71 13.875 -0.390 0.670 1.00 19.57 H new ATOM 0 HD21 LEU A 71 10.843 0.582 0.693 1.00 17.51 H new ATOM 0 HD22 LEU A 71 11.420 -0.936 -0.036 1.00 17.51 H new ATOM 0 HD23 LEU A 71 10.163 -0.974 1.224 1.00 17.51 H new ATOM 1150 N ARG A 72 11.820 -5.108 2.039 1.00 21.47 N ATOM 1151 CA ARG A 72 11.977 -6.529 2.065 1.00 25.83 C ATOM 1152 C ARG A 72 12.764 -6.890 0.853 1.00 27.74 C ATOM 1153 O ARG A 72 13.014 -6.110 -0.064 1.00 30.65 O ATOM 1154 CB ARG A 72 10.573 -7.159 2.052 1.00 28.49 C ATOM 1155 CG ARG A 72 10.264 -8.580 2.526 1.00 31.79 C ATOM 1156 CD ARG A 72 8.904 -9.213 2.224 1.00 34.05 C ATOM 1157 NE ARG A 72 9.109 -10.584 2.770 1.00 35.08 N ATOM 1158 CZ ARG A 72 8.013 -11.257 3.226 1.00 34.67 C ATOM 1159 NH1 ARG A 72 6.732 -10.958 2.861 1.00 35.02 N ATOM 1160 NH2 ARG A 72 8.202 -12.410 3.933 1.00 34.97 N ATOM 0 H ARG A 72 11.797 -4.744 1.087 1.00 21.47 H new ATOM 0 HA ARG A 72 12.498 -6.890 2.952 1.00 25.83 H new ATOM 0 HB2 ARG A 72 9.938 -6.498 2.642 1.00 28.49 H new ATOM 0 HB3 ARG A 72 10.224 -7.100 1.021 1.00 28.49 H new ATOM 0 HG2 ARG A 72 11.026 -9.235 2.103 1.00 31.79 H new ATOM 0 HG3 ARG A 72 10.395 -8.595 3.608 1.00 31.79 H new ATOM 0 HD2 ARG A 72 8.085 -8.689 2.718 1.00 34.05 H new ATOM 0 HD3 ARG A 72 8.680 -9.222 1.157 1.00 34.05 H new ATOM 0 HE ARG A 72 10.037 -11.005 2.802 1.00 35.08 H new ATOM 0 HH11 ARG A 72 6.552 -10.193 2.211 1.00 35.02 H new ATOM 0 HH12 ARG A 72 5.955 -11.500 3.238 1.00 35.02 H new ATOM 0 HH21 ARG A 72 9.147 -12.751 4.110 1.00 34.97 H new ATOM 0 HH22 ARG A 72 7.398 -12.931 4.284 1.00 34.97 H new ATOM 1174 N LEU A 73 13.282 -8.131 0.890 1.00 28.93 N ATOM 1175 CA LEU A 73 13.773 -8.775 -0.288 1.00 30.76 C ATOM 1176 C LEU A 73 12.808 -9.795 -0.788 1.00 32.18 C ATOM 1177 O LEU A 73 11.628 -9.778 -0.443 1.00 32.31 O ATOM 1178 CB LEU A 73 15.117 -9.478 -0.031 1.00 30.53 C ATOM 1179 CG LEU A 73 16.261 -8.645 0.571 1.00 30.16 C ATOM 1180 CD1 LEU A 73 17.329 -9.631 1.075 1.00 29.11 C ATOM 1181 CD2 LEU A 73 17.082 -7.775 -0.396 1.00 29.57 C ATOM 0 H LEU A 73 13.361 -8.690 1.740 1.00 28.93 H new ATOM 0 HA LEU A 73 13.906 -7.990 -1.033 1.00 30.76 H new ATOM 0 HB2 LEU A 73 14.931 -10.321 0.634 1.00 30.53 H new ATOM 0 HB3 LEU A 73 15.466 -9.890 -0.978 1.00 30.53 H new ATOM 0 HG LEU A 73 15.757 -8.002 1.293 1.00 30.16 H new ATOM 0 HD11 LEU A 73 18.160 -9.076 1.511 1.00 29.11 H new ATOM 0 HD12 LEU A 73 16.893 -10.284 1.831 1.00 29.11 H new ATOM 0 HD13 LEU A 73 17.692 -10.232 0.241 1.00 29.11 H new ATOM 0 HD21 LEU A 73 17.854 -7.242 0.160 1.00 29.57 H new ATOM 0 HD22 LEU A 73 17.550 -8.410 -1.149 1.00 29.57 H new ATOM 0 HD23 LEU A 73 16.425 -7.056 -0.885 1.00 29.57 H new ATOM 1193 N ARG A 74 13.172 -10.723 -1.690 1.00 33.82 N ATOM 1194 CA ARG A 74 12.212 -11.489 -2.424 1.00 35.33 C ATOM 1195 C ARG A 74 11.868 -12.814 -1.835 1.00 36.22 C ATOM 1196 O ARG A 74 10.714 -13.242 -1.843 1.00 36.70 O ATOM 1197 CB ARG A 74 12.828 -11.722 -3.814 1.00 36.91 C ATOM 1198 CG ARG A 74 13.178 -10.422 -4.541 1.00 38.62 C ATOM 1199 CD ARG A 74 13.943 -10.652 -5.846 1.00 39.75 C ATOM 1200 NE ARG A 74 14.086 -9.297 -6.449 1.00 41.13 N ATOM 1201 CZ ARG A 74 15.296 -8.823 -6.866 1.00 41.91 C ATOM 1202 NH1 ARG A 74 16.281 -9.624 -7.368 1.00 42.75 N ATOM 1203 NH2 ARG A 74 15.454 -7.514 -7.222 1.00 41.93 N ATOM 0 H ARG A 74 14.142 -10.945 -1.913 1.00 33.82 H new ATOM 0 HA ARG A 74 11.278 -10.928 -2.429 1.00 35.33 H new ATOM 0 HB2 ARG A 74 13.729 -12.326 -3.709 1.00 36.91 H new ATOM 0 HB3 ARG A 74 12.129 -12.295 -4.423 1.00 36.91 H new ATOM 0 HG2 ARG A 74 12.260 -9.875 -4.756 1.00 38.62 H new ATOM 0 HG3 ARG A 74 13.777 -9.794 -3.882 1.00 38.62 H new ATOM 0 HD2 ARG A 74 14.916 -11.106 -5.659 1.00 39.75 H new ATOM 0 HD3 ARG A 74 13.400 -11.325 -6.510 1.00 39.75 H new ATOM 0 HE ARG A 74 13.259 -8.709 -6.553 1.00 41.13 H new ATOM 0 HH11 ARG A 74 16.130 -10.630 -7.446 1.00 42.75 H new ATOM 0 HH12 ARG A 74 17.168 -9.217 -7.665 1.00 42.75 H new ATOM 0 HH21 ARG A 74 14.661 -6.874 -7.178 1.00 41.93 H new ATOM 0 HH22 ARG A 74 16.365 -7.176 -7.531 1.00 41.93 H new ATOM 1217 N GLY A 75 12.928 -13.456 -1.314 1.00 36.31 N ATOM 1218 CA GLY A 75 12.918 -14.730 -0.665 1.00 36.07 C ATOM 1219 C GLY A 75 13.205 -14.702 0.797 1.00 36.16 C ATOM 1220 O GLY A 75 14.252 -15.206 1.201 1.00 36.26 O ATOM 0 H GLY A 75 13.864 -13.052 -1.350 1.00 36.31 H new ATOM 0 HA2 GLY A 75 11.942 -15.190 -0.818 1.00 36.07 H new ATOM 0 HA3 GLY A 75 13.653 -15.373 -1.151 1.00 36.07 H new ATOM 1224 N GLY A 76 12.301 -14.167 1.637 1.00 36.05 N ATOM 1225 CA GLY A 76 12.245 -14.366 3.052 1.00 36.19 C ATOM 1226 C GLY A 76 11.112 -13.516 3.609 1.00 36.20 C ATOM 1227 O GLY A 76 11.154 -12.265 3.468 1.00 36.13 O ATOM 1228 OXT GLY A 76 10.256 -14.027 4.380 1.00 36.27 O ATOM 0 H GLY A 76 11.558 -13.553 1.303 1.00 36.05 H new ATOM 0 HA2 GLY A 76 12.078 -15.419 3.281 1.00 36.19 H new ATOM 0 HA3 GLY A 76 13.192 -14.086 3.513 1.00 36.19 H new TER 1232 GLY A 76