USER MOD reduce.3.24.130724 H: found=0, std=0, add=600, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 599 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 20 SER OG : rot 180:sc= -0.225 USER MOD Set 1.2: A 55 THR OG1 : rot -110:sc= 0.195 USER MOD Set 2.1: A 7 THR OG1 : rot -174:sc= 0.702 USER MOD Set 2.2: A 9 THR OG1 : rot -63:sc= 0.641 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -155:sc= 0 (180deg=-0.0423) USER MOD Single : A 2 GLN : amide:sc= -1.79 K(o=-1.8,f=-0.63) USER MOD Single : A 6 LYS NZ :NH3+ 157:sc= -0.284 (180deg=-0.876) USER MOD Single : A 11 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.226) 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 22 THR OG1 : rot 180:sc= -0.781 USER MOD Single : A 25 ASN : amide:sc= -0.9 X(o=-0.9,f=-1) USER MOD Single : A 27 LYS NZ :NH3+ -118:sc= 0.766 (180deg=-1.45!) USER MOD Single : A 29 LYS NZ :NH3+ -139:sc= -0.367 (180deg=-2.51!) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 LYS NZ :NH3+ -175:sc= 0.771 (180deg=0.75) USER MOD Single : A 40 GLN : amide:sc= -0.0346 K(o=-0.035,f=-2!) USER MOD Single : A 41 GLN : amide:sc= -0.587 K(o=-0.59,f=-4.4!) USER MOD Single : A 48 LYS NZ :NH3+ -169:sc= 0.102 (180deg=0.0765) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.94 K(o=-0.94,f=-2.3!) USER MOD Single : A 62 GLN : amide:sc= -0.978 X(o=-0.98,f=-0.97) USER MOD Single : A 63 LYS NZ :NH3+ -139:sc= -0.0136 (180deg=-1.16) USER MOD Single : A 65 SER OG : rot 180:sc= -0.106 USER MOD Single : A 66 THR OG1 : rot -89:sc= 0.251 USER MOD Single : A 68 HIS : no HD1:sc= -1.25! K(o=-1.2!,f=-0.61) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 49.262 -2.149 4.266 1.00 0.00 N ATOM 2 CA MET A 1 49.553 -3.091 5.384 1.00 0.00 C ATOM 3 C MET A 1 50.931 -3.718 5.171 1.00 0.00 C ATOM 4 O MET A 1 51.896 -3.382 5.860 1.00 0.00 O ATOM 5 CB MET A 1 48.467 -4.180 5.413 1.00 0.00 C ATOM 6 CG MET A 1 48.065 -4.484 6.859 1.00 0.00 C ATOM 7 SD MET A 1 46.899 -3.223 7.437 1.00 0.00 S ATOM 8 CE MET A 1 47.413 -3.218 9.172 1.00 0.00 C ATOM 0 H1 MET A 1 48.580 -1.431 4.585 1.00 0.00 H new ATOM 0 H2 MET A 1 50.142 -1.682 3.968 1.00 0.00 H new ATOM 0 H3 MET A 1 48.860 -2.676 3.464 1.00 0.00 H new ATOM 0 HA MET A 1 49.553 -2.560 6.336 1.00 0.00 H new ATOM 0 HB2 MET A 1 47.596 -3.851 4.847 1.00 0.00 H new ATOM 0 HB3 MET A 1 48.836 -5.086 4.932 1.00 0.00 H new ATOM 0 HG2 MET A 1 47.609 -5.472 6.921 1.00 0.00 H new ATOM 0 HG3 MET A 1 48.948 -4.499 7.498 1.00 0.00 H new ATOM 0 HE1 MET A 1 46.813 -2.497 9.727 1.00 0.00 H new ATOM 0 HE2 MET A 1 47.270 -4.212 9.597 1.00 0.00 H new ATOM 0 HE3 MET A 1 48.465 -2.943 9.239 1.00 0.00 H new ATOM 20 N GLN A 2 51.008 -4.628 4.206 1.00 0.00 N ATOM 21 CA GLN A 2 52.257 -5.313 3.882 1.00 0.00 C ATOM 22 C GLN A 2 52.897 -4.680 2.651 1.00 0.00 C ATOM 23 O GLN A 2 52.255 -3.901 1.948 1.00 0.00 O ATOM 24 CB GLN A 2 51.985 -6.798 3.614 1.00 0.00 C ATOM 25 CG GLN A 2 51.826 -7.556 4.937 1.00 0.00 C ATOM 26 CD GLN A 2 50.425 -7.338 5.499 1.00 0.00 C ATOM 27 OE1 GLN A 2 50.269 -7.081 6.692 1.00 0.00 O ATOM 28 NE2 GLN A 2 49.391 -7.429 4.707 1.00 0.00 N ATOM 0 H GLN A 2 50.215 -4.911 3.630 1.00 0.00 H new ATOM 0 HA GLN A 2 52.938 -5.219 4.728 1.00 0.00 H new ATOM 0 HB2 GLN A 2 51.082 -6.907 3.014 1.00 0.00 H new ATOM 0 HB3 GLN A 2 52.805 -7.227 3.037 1.00 0.00 H new ATOM 0 HG2 GLN A 2 52.002 -8.620 4.779 1.00 0.00 H new ATOM 0 HG3 GLN A 2 52.572 -7.213 5.654 1.00 0.00 H new ATOM 0 HE21 GLN A 2 49.523 -7.642 3.718 1.00 0.00 H new ATOM 0 HE22 GLN A 2 48.451 -7.287 5.077 1.00 0.00 H new ATOM 37 N ILE A 3 54.160 -5.021 2.393 1.00 0.00 N ATOM 38 CA ILE A 3 54.867 -4.484 1.230 1.00 0.00 C ATOM 39 C ILE A 3 55.260 -5.620 0.308 1.00 0.00 C ATOM 40 O ILE A 3 55.428 -6.762 0.735 1.00 0.00 O ATOM 41 CB ILE A 3 56.123 -3.704 1.649 1.00 0.00 C ATOM 42 CG1 ILE A 3 55.705 -2.289 2.120 1.00 0.00 C ATOM 43 CG2 ILE A 3 57.097 -3.620 0.459 1.00 0.00 C ATOM 44 CD1 ILE A 3 56.512 -1.180 1.421 1.00 0.00 C ATOM 0 H ILE A 3 54.710 -5.660 2.967 1.00 0.00 H new ATOM 0 HA ILE A 3 54.198 -3.797 0.712 1.00 0.00 H new ATOM 0 HB ILE A 3 56.627 -4.214 2.470 1.00 0.00 H new ATOM 0 HG12 ILE A 3 54.643 -2.142 1.923 1.00 0.00 H new ATOM 0 HG13 ILE A 3 55.843 -2.212 3.198 1.00 0.00 H new ATOM 0 HG21 ILE A 3 57.988 -3.067 0.756 1.00 0.00 H new ATOM 0 HG22 ILE A 3 57.381 -4.626 0.150 1.00 0.00 H new ATOM 0 HG23 ILE A 3 56.612 -3.108 -0.372 1.00 0.00 H new ATOM 0 HD11 ILE A 3 56.183 -0.206 1.784 1.00 0.00 H new ATOM 0 HD12 ILE A 3 57.572 -1.309 1.639 1.00 0.00 H new ATOM 0 HD13 ILE A 3 56.353 -1.238 0.344 1.00 0.00 H new ATOM 56 N PHE A 4 55.375 -5.293 -0.974 1.00 0.00 N ATOM 57 CA PHE A 4 55.714 -6.280 -1.988 1.00 0.00 C ATOM 58 C PHE A 4 56.706 -5.702 -2.993 1.00 0.00 C ATOM 59 O PHE A 4 56.521 -4.593 -3.493 1.00 0.00 O ATOM 60 CB PHE A 4 54.431 -6.682 -2.702 1.00 0.00 C ATOM 61 CG PHE A 4 54.704 -7.765 -3.706 1.00 0.00 C ATOM 62 CD1 PHE A 4 55.119 -9.021 -3.272 1.00 0.00 C ATOM 63 CD2 PHE A 4 54.531 -7.511 -5.071 1.00 0.00 C ATOM 64 CE1 PHE A 4 55.368 -10.035 -4.203 1.00 0.00 C ATOM 65 CE2 PHE A 4 54.780 -8.523 -6.005 1.00 0.00 C ATOM 66 CZ PHE A 4 55.200 -9.786 -5.570 1.00 0.00 C ATOM 0 H PHE A 4 55.238 -4.349 -1.335 1.00 0.00 H new ATOM 0 HA PHE A 4 56.179 -7.146 -1.517 1.00 0.00 H new ATOM 0 HB2 PHE A 4 53.697 -7.029 -1.975 1.00 0.00 H new ATOM 0 HB3 PHE A 4 53.999 -5.815 -3.202 1.00 0.00 H new ATOM 0 HD1 PHE A 4 55.249 -9.212 -2.217 1.00 0.00 H new ATOM 0 HD2 PHE A 4 54.206 -6.536 -5.403 1.00 0.00 H new ATOM 0 HE1 PHE A 4 55.690 -11.010 -3.867 1.00 0.00 H new ATOM 0 HE2 PHE A 4 54.648 -8.330 -7.059 1.00 0.00 H new ATOM 0 HZ PHE A 4 55.394 -10.568 -6.289 1.00 0.00 H new ATOM 76 N VAL A 5 57.760 -6.463 -3.282 1.00 0.00 N ATOM 77 CA VAL A 5 58.782 -6.022 -4.227 1.00 0.00 C ATOM 78 C VAL A 5 59.058 -7.111 -5.260 1.00 0.00 C ATOM 79 O VAL A 5 59.094 -8.296 -4.930 1.00 0.00 O ATOM 80 CB VAL A 5 60.070 -5.692 -3.469 1.00 0.00 C ATOM 81 CG1 VAL A 5 61.182 -5.351 -4.461 1.00 0.00 C ATOM 82 CG2 VAL A 5 59.824 -4.493 -2.547 1.00 0.00 C ATOM 0 H VAL A 5 57.928 -7.384 -2.877 1.00 0.00 H new ATOM 0 HA VAL A 5 58.423 -5.132 -4.745 1.00 0.00 H new ATOM 0 HB VAL A 5 60.370 -6.556 -2.876 1.00 0.00 H new ATOM 0 HG11 VAL A 5 62.097 -5.117 -3.916 1.00 0.00 H new ATOM 0 HG12 VAL A 5 61.359 -6.204 -5.117 1.00 0.00 H new ATOM 0 HG13 VAL A 5 60.885 -4.489 -5.058 1.00 0.00 H new ATOM 0 HG21 VAL A 5 60.740 -4.256 -2.006 1.00 0.00 H new ATOM 0 HG22 VAL A 5 59.521 -3.632 -3.143 1.00 0.00 H new ATOM 0 HG23 VAL A 5 59.035 -4.737 -1.835 1.00 0.00 H new ATOM 92 N LYS A 6 59.248 -6.705 -6.514 1.00 0.00 N ATOM 93 CA LYS A 6 59.516 -7.660 -7.589 1.00 0.00 C ATOM 94 C LYS A 6 60.759 -7.249 -8.373 1.00 0.00 C ATOM 95 O LYS A 6 61.012 -6.061 -8.581 1.00 0.00 O ATOM 96 CB LYS A 6 58.308 -7.735 -8.537 1.00 0.00 C ATOM 97 CG LYS A 6 58.190 -9.148 -9.130 1.00 0.00 C ATOM 98 CD LYS A 6 57.513 -9.080 -10.508 1.00 0.00 C ATOM 99 CE LYS A 6 56.979 -10.465 -10.906 1.00 0.00 C ATOM 100 NZ LYS A 6 57.440 -10.798 -12.285 1.00 0.00 N ATOM 0 H LYS A 6 59.222 -5.729 -6.810 1.00 0.00 H new ATOM 0 HA LYS A 6 59.689 -8.640 -7.145 1.00 0.00 H new ATOM 0 HB2 LYS A 6 57.396 -7.481 -7.997 1.00 0.00 H new ATOM 0 HB3 LYS A 6 58.418 -7.004 -9.338 1.00 0.00 H new ATOM 0 HG2 LYS A 6 59.179 -9.597 -9.222 1.00 0.00 H new ATOM 0 HG3 LYS A 6 57.611 -9.786 -8.462 1.00 0.00 H new ATOM 0 HD2 LYS A 6 56.695 -8.360 -10.484 1.00 0.00 H new ATOM 0 HD3 LYS A 6 58.225 -8.729 -11.254 1.00 0.00 H new ATOM 0 HE2 LYS A 6 57.331 -11.219 -10.201 1.00 0.00 H new ATOM 0 HE3 LYS A 6 55.890 -10.473 -10.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 57.431 -11.830 -12.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 56.804 -10.357 -12.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 58.407 -10.440 -12.424 1.00 0.00 H new ATOM 114 N THR A 7 61.529 -8.241 -8.813 1.00 0.00 N ATOM 115 CA THR A 7 62.745 -7.983 -9.582 1.00 0.00 C ATOM 116 C THR A 7 62.607 -8.550 -10.992 1.00 0.00 C ATOM 117 O THR A 7 61.632 -9.234 -11.302 1.00 0.00 O ATOM 118 CB THR A 7 63.950 -8.626 -8.889 1.00 0.00 C ATOM 119 OG1 THR A 7 63.627 -9.963 -8.531 1.00 0.00 O ATOM 120 CG2 THR A 7 64.309 -7.832 -7.633 1.00 0.00 C ATOM 0 H THR A 7 61.334 -9.229 -8.651 1.00 0.00 H new ATOM 0 HA THR A 7 62.896 -6.905 -9.643 1.00 0.00 H new ATOM 0 HB THR A 7 64.802 -8.624 -9.568 1.00 0.00 H new ATOM 0 HG1 THR A 7 64.359 -10.347 -8.005 1.00 0.00 H new ATOM 0 HG21 THR A 7 65.167 -8.293 -7.144 1.00 0.00 H new ATOM 0 HG22 THR A 7 64.557 -6.807 -7.909 1.00 0.00 H new ATOM 0 HG23 THR A 7 63.460 -7.829 -6.950 1.00 0.00 H new ATOM 128 N LEU A 8 63.587 -8.260 -11.842 1.00 0.00 N ATOM 129 CA LEU A 8 63.560 -8.748 -13.216 1.00 0.00 C ATOM 130 C LEU A 8 63.579 -10.274 -13.241 1.00 0.00 C ATOM 131 O LEU A 8 63.417 -10.887 -14.296 1.00 0.00 O ATOM 132 CB LEU A 8 64.764 -8.204 -13.993 1.00 0.00 C ATOM 133 CG LEU A 8 64.522 -6.733 -14.368 1.00 0.00 C ATOM 134 CD1 LEU A 8 65.862 -6.004 -14.497 1.00 0.00 C ATOM 135 CD2 LEU A 8 63.777 -6.656 -15.706 1.00 0.00 C ATOM 0 H LEU A 8 64.403 -7.695 -11.607 1.00 0.00 H new ATOM 0 HA LEU A 8 62.641 -8.399 -13.687 1.00 0.00 H new ATOM 0 HB2 LEU A 8 65.667 -8.291 -13.389 1.00 0.00 H new ATOM 0 HB3 LEU A 8 64.925 -8.796 -14.894 1.00 0.00 H new ATOM 0 HG LEU A 8 63.924 -6.262 -13.588 1.00 0.00 H new ATOM 0 HD11 LEU A 8 65.685 -4.962 -14.763 1.00 0.00 H new ATOM 0 HD12 LEU A 8 66.395 -6.051 -13.547 1.00 0.00 H new ATOM 0 HD13 LEU A 8 66.462 -6.480 -15.273 1.00 0.00 H new ATOM 0 HD21 LEU A 8 63.607 -5.612 -15.968 1.00 0.00 H new ATOM 0 HD22 LEU A 8 64.374 -7.133 -16.483 1.00 0.00 H new ATOM 0 HD23 LEU A 8 62.819 -7.169 -15.619 1.00 0.00 H new ATOM 147 N THR A 9 63.778 -10.882 -12.074 1.00 0.00 N ATOM 148 CA THR A 9 63.817 -12.340 -11.977 1.00 0.00 C ATOM 149 C THR A 9 62.434 -12.893 -11.646 1.00 0.00 C ATOM 150 O THR A 9 62.201 -14.099 -11.728 1.00 0.00 O ATOM 151 CB THR A 9 64.810 -12.769 -10.896 1.00 0.00 C ATOM 152 OG1 THR A 9 64.271 -12.474 -9.616 1.00 0.00 O ATOM 153 CG2 THR A 9 66.130 -12.021 -11.080 1.00 0.00 C ATOM 0 H THR A 9 63.914 -10.393 -11.189 1.00 0.00 H new ATOM 0 HA THR A 9 64.136 -12.738 -12.940 1.00 0.00 H new ATOM 0 HB THR A 9 64.991 -13.841 -10.977 1.00 0.00 H new ATOM 0 HG1 THR A 9 64.156 -11.505 -9.525 1.00 0.00 H new ATOM 0 HG21 THR A 9 66.834 -12.330 -10.307 1.00 0.00 H new ATOM 0 HG22 THR A 9 66.545 -12.251 -12.062 1.00 0.00 H new ATOM 0 HG23 THR A 9 65.954 -10.948 -11.002 1.00 0.00 H new ATOM 161 N GLY A 10 61.521 -12.003 -11.275 1.00 0.00 N ATOM 162 CA GLY A 10 60.163 -12.410 -10.936 1.00 0.00 C ATOM 163 C GLY A 10 60.109 -13.044 -9.549 1.00 0.00 C ATOM 164 O GLY A 10 59.072 -13.559 -9.132 1.00 0.00 O ATOM 0 H GLY A 10 61.695 -11.001 -11.202 1.00 0.00 H new ATOM 0 HA2 GLY A 10 59.502 -11.544 -10.969 1.00 0.00 H new ATOM 0 HA3 GLY A 10 59.797 -13.120 -11.678 1.00 0.00 H new ATOM 168 N LYS A 11 61.231 -13.003 -8.840 1.00 0.00 N ATOM 169 CA LYS A 11 61.299 -13.579 -7.502 1.00 0.00 C ATOM 170 C LYS A 11 60.322 -12.883 -6.559 1.00 0.00 C ATOM 171 O LYS A 11 60.266 -11.653 -6.503 1.00 0.00 O ATOM 172 CB LYS A 11 62.720 -13.452 -6.950 1.00 0.00 C ATOM 173 CG LYS A 11 62.892 -14.387 -5.745 1.00 0.00 C ATOM 174 CD LYS A 11 63.244 -15.804 -6.227 1.00 0.00 C ATOM 175 CE LYS A 11 62.599 -16.838 -5.299 1.00 0.00 C ATOM 176 NZ LYS A 11 63.052 -16.600 -3.900 1.00 0.00 N ATOM 0 H LYS A 11 62.100 -12.580 -9.166 1.00 0.00 H new ATOM 0 HA LYS A 11 61.026 -14.632 -7.571 1.00 0.00 H new ATOM 0 HB2 LYS A 11 63.445 -13.703 -7.724 1.00 0.00 H new ATOM 0 HB3 LYS A 11 62.915 -12.421 -6.654 1.00 0.00 H new ATOM 0 HG2 LYS A 11 63.678 -14.010 -5.091 1.00 0.00 H new ATOM 0 HG3 LYS A 11 61.974 -14.411 -5.158 1.00 0.00 H new ATOM 0 HD2 LYS A 11 62.893 -15.949 -7.249 1.00 0.00 H new ATOM 0 HD3 LYS A 11 64.326 -15.936 -6.239 1.00 0.00 H new ATOM 0 HE2 LYS A 11 61.513 -16.768 -5.358 1.00 0.00 H new ATOM 0 HE3 LYS A 11 62.871 -17.845 -5.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 62.830 -17.432 -3.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 64.079 -16.435 -3.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 62.564 -15.766 -3.514 1.00 0.00 H new ATOM 190 N THR A 12 59.554 -13.679 -5.817 1.00 0.00 N ATOM 191 CA THR A 12 58.581 -13.133 -4.873 1.00 0.00 C ATOM 192 C THR A 12 59.220 -12.924 -3.505 1.00 0.00 C ATOM 193 O THR A 12 59.628 -13.881 -2.847 1.00 0.00 O ATOM 194 CB THR A 12 57.392 -14.087 -4.738 1.00 0.00 C ATOM 195 OG1 THR A 12 56.464 -13.552 -3.804 1.00 0.00 O ATOM 196 CG2 THR A 12 57.879 -15.456 -4.251 1.00 0.00 C ATOM 0 H THR A 12 59.586 -14.698 -5.851 1.00 0.00 H new ATOM 0 HA THR A 12 58.236 -12.171 -5.253 1.00 0.00 H new ATOM 0 HB THR A 12 56.909 -14.204 -5.708 1.00 0.00 H new ATOM 0 HG1 THR A 12 55.700 -14.160 -3.717 1.00 0.00 H new ATOM 0 HG21 THR A 12 57.029 -16.132 -4.156 1.00 0.00 H new ATOM 0 HG22 THR A 12 58.590 -15.865 -4.968 1.00 0.00 H new ATOM 0 HG23 THR A 12 58.365 -15.346 -3.281 1.00 0.00 H new ATOM 204 N ILE A 13 59.305 -11.666 -3.086 1.00 0.00 N ATOM 205 CA ILE A 13 59.900 -11.327 -1.795 1.00 0.00 C ATOM 206 C ILE A 13 58.887 -10.581 -0.923 1.00 0.00 C ATOM 207 O ILE A 13 58.379 -9.526 -1.307 1.00 0.00 O ATOM 208 CB ILE A 13 61.156 -10.478 -2.039 1.00 0.00 C ATOM 209 CG1 ILE A 13 62.142 -10.630 -0.875 1.00 0.00 C ATOM 210 CG2 ILE A 13 60.782 -9.004 -2.194 1.00 0.00 C ATOM 211 CD1 ILE A 13 63.530 -10.157 -1.323 1.00 0.00 C ATOM 0 H ILE A 13 58.970 -10.864 -3.620 1.00 0.00 H new ATOM 0 HA ILE A 13 60.182 -12.236 -1.264 1.00 0.00 H new ATOM 0 HB ILE A 13 61.627 -10.829 -2.957 1.00 0.00 H new ATOM 0 HG12 ILE A 13 61.805 -10.046 -0.019 1.00 0.00 H new ATOM 0 HG13 ILE A 13 62.186 -11.671 -0.554 1.00 0.00 H new ATOM 0 HG21 ILE A 13 61.684 -8.416 -2.366 1.00 0.00 H new ATOM 0 HG22 ILE A 13 60.105 -8.887 -3.041 1.00 0.00 H new ATOM 0 HG23 ILE A 13 60.290 -8.656 -1.286 1.00 0.00 H new ATOM 0 HD11 ILE A 13 64.234 -10.263 -0.498 1.00 0.00 H new ATOM 0 HD12 ILE A 13 63.865 -10.760 -2.167 1.00 0.00 H new ATOM 0 HD13 ILE A 13 63.478 -9.110 -1.623 1.00 0.00 H new ATOM 223 N THR A 14 58.584 -11.141 0.247 1.00 0.00 N ATOM 224 CA THR A 14 57.617 -10.526 1.156 1.00 0.00 C ATOM 225 C THR A 14 58.275 -10.131 2.477 1.00 0.00 C ATOM 226 O THR A 14 59.040 -10.903 3.055 1.00 0.00 O ATOM 227 CB THR A 14 56.476 -11.507 1.431 1.00 0.00 C ATOM 228 OG1 THR A 14 57.015 -12.794 1.692 1.00 0.00 O ATOM 229 CG2 THR A 14 55.556 -11.575 0.211 1.00 0.00 C ATOM 0 H THR A 14 58.990 -12.013 0.586 1.00 0.00 H new ATOM 0 HA THR A 14 57.229 -9.625 0.681 1.00 0.00 H new ATOM 0 HB THR A 14 55.905 -11.169 2.296 1.00 0.00 H new ATOM 0 HG1 THR A 14 56.286 -13.424 1.870 1.00 0.00 H new ATOM 0 HG21 THR A 14 54.743 -12.274 0.407 1.00 0.00 H new ATOM 0 HG22 THR A 14 55.144 -10.586 0.011 1.00 0.00 H new ATOM 0 HG23 THR A 14 56.125 -11.913 -0.655 1.00 0.00 H new ATOM 237 N LEU A 15 57.959 -8.924 2.952 1.00 0.00 N ATOM 238 CA LEU A 15 58.509 -8.427 4.214 1.00 0.00 C ATOM 239 C LEU A 15 57.391 -8.225 5.216 1.00 0.00 C ATOM 240 O LEU A 15 56.282 -7.841 4.845 1.00 0.00 O ATOM 241 CB LEU A 15 59.260 -7.097 3.994 1.00 0.00 C ATOM 242 CG LEU A 15 59.085 -6.627 2.545 1.00 0.00 C ATOM 243 CD1 LEU A 15 59.631 -5.202 2.400 1.00 0.00 C ATOM 244 CD2 LEU A 15 59.845 -7.574 1.599 1.00 0.00 C ATOM 0 H LEU A 15 57.327 -8.275 2.483 1.00 0.00 H new ATOM 0 HA LEU A 15 59.214 -9.164 4.600 1.00 0.00 H new ATOM 0 HB2 LEU A 15 58.881 -6.339 4.679 1.00 0.00 H new ATOM 0 HB3 LEU A 15 60.319 -7.227 4.217 1.00 0.00 H new ATOM 0 HG LEU A 15 58.026 -6.636 2.286 1.00 0.00 H new ATOM 0 HD11 LEU A 15 59.507 -4.868 1.370 1.00 0.00 H new ATOM 0 HD12 LEU A 15 59.086 -4.534 3.067 1.00 0.00 H new ATOM 0 HD13 LEU A 15 60.689 -5.190 2.660 1.00 0.00 H new ATOM 0 HD21 LEU A 15 59.719 -7.238 0.570 1.00 0.00 H new ATOM 0 HD22 LEU A 15 60.905 -7.571 1.855 1.00 0.00 H new ATOM 0 HD23 LEU A 15 59.450 -8.585 1.702 1.00 0.00 H new ATOM 256 N GLU A 16 57.684 -8.453 6.489 1.00 0.00 N ATOM 257 CA GLU A 16 56.671 -8.249 7.505 1.00 0.00 C ATOM 258 C GLU A 16 56.877 -6.865 8.066 1.00 0.00 C ATOM 259 O GLU A 16 57.887 -6.583 8.712 1.00 0.00 O ATOM 260 CB GLU A 16 56.801 -9.289 8.618 1.00 0.00 C ATOM 261 CG GLU A 16 56.467 -10.678 8.073 1.00 0.00 C ATOM 262 CD GLU A 16 56.604 -11.715 9.180 1.00 0.00 C ATOM 263 OE1 GLU A 16 57.544 -11.609 9.951 1.00 0.00 O ATOM 264 OE2 GLU A 16 55.769 -12.603 9.242 1.00 0.00 O ATOM 0 H GLU A 16 58.590 -8.771 6.833 1.00 0.00 H new ATOM 0 HA GLU A 16 55.676 -8.354 7.074 1.00 0.00 H new ATOM 0 HB2 GLU A 16 57.814 -9.280 9.019 1.00 0.00 H new ATOM 0 HB3 GLU A 16 56.130 -9.040 9.440 1.00 0.00 H new ATOM 0 HG2 GLU A 16 55.452 -10.688 7.677 1.00 0.00 H new ATOM 0 HG3 GLU A 16 57.134 -10.924 7.247 1.00 0.00 H new ATOM 271 N VAL A 17 55.934 -5.990 7.770 1.00 0.00 N ATOM 272 CA VAL A 17 56.043 -4.615 8.200 1.00 0.00 C ATOM 273 C VAL A 17 54.693 -3.992 8.464 1.00 0.00 C ATOM 274 O VAL A 17 53.650 -4.544 8.114 1.00 0.00 O ATOM 275 CB VAL A 17 56.717 -3.815 7.091 1.00 0.00 C ATOM 276 CG1 VAL A 17 55.831 -3.838 5.841 1.00 0.00 C ATOM 277 CG2 VAL A 17 56.904 -2.369 7.557 1.00 0.00 C ATOM 0 H VAL A 17 55.092 -6.208 7.238 1.00 0.00 H new ATOM 0 HA VAL A 17 56.617 -4.599 9.126 1.00 0.00 H new ATOM 0 HB VAL A 17 57.688 -4.253 6.857 1.00 0.00 H new ATOM 0 HG11 VAL A 17 56.309 -3.267 5.045 1.00 0.00 H new ATOM 0 HG12 VAL A 17 55.690 -4.868 5.514 1.00 0.00 H new ATOM 0 HG13 VAL A 17 54.862 -3.395 6.073 1.00 0.00 H new ATOM 0 HG21 VAL A 17 57.386 -1.792 6.768 1.00 0.00 H new ATOM 0 HG22 VAL A 17 55.932 -1.932 7.785 1.00 0.00 H new ATOM 0 HG23 VAL A 17 57.528 -2.353 8.451 1.00 0.00 H new ATOM 287 N GLU A 18 54.738 -2.786 9.025 1.00 0.00 N ATOM 288 CA GLU A 18 53.538 -2.010 9.273 1.00 0.00 C ATOM 289 C GLU A 18 53.502 -0.896 8.230 1.00 0.00 C ATOM 290 O GLU A 18 54.544 -0.490 7.724 1.00 0.00 O ATOM 291 CB GLU A 18 53.577 -1.410 10.685 1.00 0.00 C ATOM 292 CG GLU A 18 54.961 -0.810 10.956 1.00 0.00 C ATOM 293 CD GLU A 18 55.905 -1.879 11.502 1.00 0.00 C ATOM 294 OE1 GLU A 18 55.530 -2.539 12.456 1.00 0.00 O ATOM 295 OE2 GLU A 18 56.990 -2.017 10.960 1.00 0.00 O ATOM 0 H GLU A 18 55.601 -2.328 9.316 1.00 0.00 H new ATOM 0 HA GLU A 18 52.650 -2.638 9.202 1.00 0.00 H new ATOM 0 HB2 GLU A 18 52.811 -0.641 10.784 1.00 0.00 H new ATOM 0 HB3 GLU A 18 53.353 -2.180 11.424 1.00 0.00 H new ATOM 0 HG2 GLU A 18 55.369 -0.390 10.037 1.00 0.00 H new ATOM 0 HG3 GLU A 18 54.876 0.009 11.670 1.00 0.00 H new ATOM 302 N PRO A 19 52.358 -0.401 7.886 1.00 0.00 N ATOM 303 CA PRO A 19 52.243 0.651 6.871 1.00 0.00 C ATOM 304 C PRO A 19 53.144 1.828 7.150 1.00 0.00 C ATOM 305 O PRO A 19 53.274 2.689 6.290 1.00 0.00 O ATOM 306 CB PRO A 19 50.782 1.090 6.887 1.00 0.00 C ATOM 307 CG PRO A 19 50.101 0.283 7.937 1.00 0.00 C ATOM 308 CD PRO A 19 51.062 -0.793 8.403 1.00 0.00 C ATOM 0 HA PRO A 19 52.552 0.267 5.899 1.00 0.00 H new ATOM 0 HB2 PRO A 19 50.701 2.155 7.105 1.00 0.00 H new ATOM 0 HB3 PRO A 19 50.319 0.928 5.914 1.00 0.00 H new ATOM 0 HG2 PRO A 19 49.806 0.917 8.773 1.00 0.00 H new ATOM 0 HG3 PRO A 19 49.190 -0.166 7.541 1.00 0.00 H new ATOM 0 HD2 PRO A 19 51.077 -0.862 9.491 1.00 0.00 H new ATOM 0 HD3 PRO A 19 50.768 -1.772 8.026 1.00 0.00 H new ATOM 316 N SER A 20 53.796 1.906 8.320 1.00 0.00 N ATOM 317 CA SER A 20 54.633 3.070 8.481 1.00 0.00 C ATOM 318 C SER A 20 55.880 2.797 7.685 1.00 0.00 C ATOM 319 O SER A 20 56.406 3.693 7.030 1.00 0.00 O ATOM 320 CB SER A 20 54.989 3.287 9.955 1.00 0.00 C ATOM 321 OG SER A 20 55.433 4.626 10.137 1.00 0.00 O ATOM 0 H SER A 20 53.762 1.240 9.092 1.00 0.00 H new ATOM 0 HA SER A 20 54.122 3.970 8.139 1.00 0.00 H new ATOM 0 HB2 SER A 20 54.121 3.091 10.584 1.00 0.00 H new ATOM 0 HB3 SER A 20 55.768 2.588 10.260 1.00 0.00 H new ATOM 0 HG SER A 20 55.661 4.770 11.079 1.00 0.00 H new ATOM 327 N ASP A 21 56.221 1.511 7.562 1.00 0.00 N ATOM 328 CA ASP A 21 57.252 1.129 6.624 1.00 0.00 C ATOM 329 C ASP A 21 58.283 2.215 6.471 1.00 0.00 C ATOM 330 O ASP A 21 58.320 2.821 5.401 1.00 0.00 O ATOM 331 CB ASP A 21 56.670 0.753 5.272 1.00 0.00 C ATOM 332 CG ASP A 21 56.545 -0.755 5.125 1.00 0.00 C ATOM 333 OD1 ASP A 21 57.555 -1.396 4.890 1.00 0.00 O ATOM 334 OD2 ASP A 21 55.433 -1.244 5.232 1.00 0.00 O ATOM 0 H ASP A 21 55.805 0.743 8.089 1.00 0.00 H new ATOM 0 HA ASP A 21 57.744 0.247 7.033 1.00 0.00 H new ATOM 0 HB2 ASP A 21 55.690 1.215 5.155 1.00 0.00 H new ATOM 0 HB3 ASP A 21 57.305 1.147 4.478 1.00 0.00 H new ATOM 339 N THR A 22 59.071 2.576 7.452 1.00 0.00 N ATOM 340 CA THR A 22 59.924 3.699 7.148 1.00 0.00 C ATOM 341 C THR A 22 61.087 3.137 6.387 1.00 0.00 C ATOM 342 O THR A 22 61.625 2.080 6.690 1.00 0.00 O ATOM 343 CB THR A 22 60.394 4.400 8.434 1.00 0.00 C ATOM 344 OG1 THR A 22 61.788 4.191 8.615 1.00 0.00 O ATOM 345 CG2 THR A 22 59.627 3.845 9.638 1.00 0.00 C ATOM 0 H THR A 22 59.143 2.159 8.380 1.00 0.00 H new ATOM 0 HA THR A 22 59.394 4.453 6.565 1.00 0.00 H new ATOM 0 HB THR A 22 60.201 5.469 8.348 1.00 0.00 H new ATOM 0 HG1 THR A 22 62.083 4.641 9.434 1.00 0.00 H new ATOM 0 HG21 THR A 22 59.964 4.345 10.546 1.00 0.00 H new ATOM 0 HG22 THR A 22 58.560 4.020 9.502 1.00 0.00 H new ATOM 0 HG23 THR A 22 59.811 2.774 9.724 1.00 0.00 H new ATOM 353 N ILE A 23 61.365 3.828 5.301 1.00 0.00 N ATOM 354 CA ILE A 23 62.352 3.393 4.340 1.00 0.00 C ATOM 355 C ILE A 23 63.677 3.152 5.007 1.00 0.00 C ATOM 356 O ILE A 23 64.333 2.150 4.732 1.00 0.00 O ATOM 357 CB ILE A 23 62.415 4.423 3.209 1.00 0.00 C ATOM 358 CG1 ILE A 23 61.019 5.088 3.125 1.00 0.00 C ATOM 359 CG2 ILE A 23 62.756 3.729 1.881 1.00 0.00 C ATOM 360 CD1 ILE A 23 60.956 6.077 1.961 1.00 0.00 C ATOM 0 H ILE A 23 60.911 4.709 5.061 1.00 0.00 H new ATOM 0 HA ILE A 23 62.070 2.435 3.904 1.00 0.00 H new ATOM 0 HB ILE A 23 63.187 5.168 3.402 1.00 0.00 H new ATOM 0 HG12 ILE A 23 60.254 4.322 2.999 1.00 0.00 H new ATOM 0 HG13 ILE A 23 60.801 5.605 4.059 1.00 0.00 H new ATOM 0 HG21 ILE A 23 62.798 4.471 1.083 1.00 0.00 H new ATOM 0 HG22 ILE A 23 63.723 3.233 1.967 1.00 0.00 H new ATOM 0 HG23 ILE A 23 61.989 2.990 1.649 1.00 0.00 H new ATOM 0 HD11 ILE A 23 59.966 6.531 1.923 1.00 0.00 H new ATOM 0 HD12 ILE A 23 61.707 6.855 2.103 1.00 0.00 H new ATOM 0 HD13 ILE A 23 61.151 5.551 1.026 1.00 0.00 H new ATOM 372 N GLU A 24 64.042 3.998 5.943 1.00 0.00 N ATOM 373 CA GLU A 24 65.253 3.737 6.670 1.00 0.00 C ATOM 374 C GLU A 24 65.023 2.414 7.403 1.00 0.00 C ATOM 375 O GLU A 24 65.948 1.637 7.639 1.00 0.00 O ATOM 376 CB GLU A 24 65.546 4.866 7.663 1.00 0.00 C ATOM 377 CG GLU A 24 67.036 4.869 8.010 1.00 0.00 C ATOM 378 CD GLU A 24 67.360 6.062 8.899 1.00 0.00 C ATOM 379 OE1 GLU A 24 66.488 6.896 9.080 1.00 0.00 O ATOM 380 OE2 GLU A 24 68.476 6.125 9.386 1.00 0.00 O ATOM 0 H GLU A 24 63.536 4.843 6.209 1.00 0.00 H new ATOM 0 HA GLU A 24 66.114 3.679 6.004 1.00 0.00 H new ATOM 0 HB2 GLU A 24 65.260 5.826 7.233 1.00 0.00 H new ATOM 0 HB3 GLU A 24 64.952 4.732 8.567 1.00 0.00 H new ATOM 0 HG2 GLU A 24 67.301 3.943 8.519 1.00 0.00 H new ATOM 0 HG3 GLU A 24 67.631 4.913 7.097 1.00 0.00 H new ATOM 387 N ASN A 25 63.741 2.175 7.736 1.00 0.00 N ATOM 388 CA ASN A 25 63.314 0.951 8.419 1.00 0.00 C ATOM 389 C ASN A 25 63.207 -0.237 7.462 1.00 0.00 C ATOM 390 O ASN A 25 63.641 -1.343 7.782 1.00 0.00 O ATOM 391 CB ASN A 25 61.966 1.175 9.107 1.00 0.00 C ATOM 392 CG ASN A 25 61.757 0.122 10.195 1.00 0.00 C ATOM 393 OD1 ASN A 25 60.666 -0.438 10.317 1.00 0.00 O ATOM 394 ND2 ASN A 25 62.740 -0.179 10.998 1.00 0.00 N ATOM 0 H ASN A 25 62.980 2.824 7.538 1.00 0.00 H new ATOM 0 HA ASN A 25 64.076 0.714 9.161 1.00 0.00 H new ATOM 0 HB2 ASN A 25 61.932 2.173 9.543 1.00 0.00 H new ATOM 0 HB3 ASN A 25 61.160 1.119 8.375 1.00 0.00 H new ATOM 0 HD21 ASN A 25 62.606 -0.879 11.728 1.00 0.00 H new ATOM 0 HD22 ASN A 25 63.642 0.285 10.896 1.00 0.00 H new ATOM 401 N VAL A 26 62.608 -0.003 6.297 1.00 0.00 N ATOM 402 CA VAL A 26 62.424 -1.059 5.307 1.00 0.00 C ATOM 403 C VAL A 26 63.745 -1.429 4.643 1.00 0.00 C ATOM 404 O VAL A 26 63.950 -2.578 4.258 1.00 0.00 O ATOM 405 CB VAL A 26 61.417 -0.629 4.235 1.00 0.00 C ATOM 406 CG1 VAL A 26 60.929 -1.863 3.474 1.00 0.00 C ATOM 407 CG2 VAL A 26 60.221 0.064 4.897 1.00 0.00 C ATOM 0 H VAL A 26 62.243 0.907 6.016 1.00 0.00 H new ATOM 0 HA VAL A 26 62.039 -1.933 5.831 1.00 0.00 H new ATOM 0 HB VAL A 26 61.899 0.063 3.544 1.00 0.00 H new ATOM 0 HG11 VAL A 26 60.212 -1.560 2.711 1.00 0.00 H new ATOM 0 HG12 VAL A 26 61.777 -2.357 3.000 1.00 0.00 H new ATOM 0 HG13 VAL A 26 60.449 -2.553 4.169 1.00 0.00 H new ATOM 0 HG21 VAL A 26 59.507 0.368 4.131 1.00 0.00 H new ATOM 0 HG22 VAL A 26 59.738 -0.626 5.589 1.00 0.00 H new ATOM 0 HG23 VAL A 26 60.566 0.943 5.442 1.00 0.00 H new ATOM 417 N LYS A 27 64.627 -0.446 4.490 1.00 0.00 N ATOM 418 CA LYS A 27 65.908 -0.681 3.830 1.00 0.00 C ATOM 419 C LYS A 27 66.614 -1.883 4.433 1.00 0.00 C ATOM 420 O LYS A 27 67.072 -2.766 3.706 1.00 0.00 O ATOM 421 CB LYS A 27 66.796 0.569 3.970 1.00 0.00 C ATOM 422 CG LYS A 27 66.929 1.259 2.610 1.00 0.00 C ATOM 423 CD LYS A 27 65.554 1.774 2.157 1.00 0.00 C ATOM 424 CE LYS A 27 65.455 1.726 0.632 1.00 0.00 C ATOM 425 NZ LYS A 27 66.341 2.773 0.050 1.00 0.00 N ATOM 0 H LYS A 27 64.481 0.511 4.810 1.00 0.00 H new ATOM 0 HA LYS A 27 65.724 -0.885 2.775 1.00 0.00 H new ATOM 0 HB2 LYS A 27 66.362 1.256 4.697 1.00 0.00 H new ATOM 0 HB3 LYS A 27 67.780 0.288 4.345 1.00 0.00 H new ATOM 0 HG2 LYS A 27 67.634 2.087 2.678 1.00 0.00 H new ATOM 0 HG3 LYS A 27 67.328 0.561 1.874 1.00 0.00 H new ATOM 0 HD2 LYS A 27 64.765 1.167 2.600 1.00 0.00 H new ATOM 0 HD3 LYS A 27 65.405 2.795 2.508 1.00 0.00 H new ATOM 0 HE2 LYS A 27 65.748 0.741 0.268 1.00 0.00 H new ATOM 0 HE3 LYS A 27 64.424 1.889 0.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 65.767 3.456 -0.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 66.844 3.267 0.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 67.032 2.328 -0.587 1.00 0.00 H new ATOM 439 N ALA A 28 66.685 -1.936 5.747 1.00 0.00 N ATOM 440 CA ALA A 28 67.323 -3.063 6.396 1.00 0.00 C ATOM 441 C ALA A 28 66.482 -4.321 6.178 1.00 0.00 C ATOM 442 O ALA A 28 67.018 -5.419 6.023 1.00 0.00 O ATOM 443 CB ALA A 28 67.495 -2.779 7.883 1.00 0.00 C ATOM 0 H ALA A 28 66.316 -1.225 6.378 1.00 0.00 H new ATOM 0 HA ALA A 28 68.310 -3.222 5.962 1.00 0.00 H new ATOM 0 HB1 ALA A 28 67.975 -3.632 8.363 1.00 0.00 H new ATOM 0 HB2 ALA A 28 68.114 -1.892 8.015 1.00 0.00 H new ATOM 0 HB3 ALA A 28 66.518 -2.610 8.337 1.00 0.00 H new ATOM 449 N LYS A 29 65.158 -4.150 6.137 1.00 0.00 N ATOM 450 CA LYS A 29 64.260 -5.277 5.900 1.00 0.00 C ATOM 451 C LYS A 29 64.484 -5.803 4.490 1.00 0.00 C ATOM 452 O LYS A 29 64.413 -7.007 4.247 1.00 0.00 O ATOM 453 CB LYS A 29 62.787 -4.876 6.077 1.00 0.00 C ATOM 454 CG LYS A 29 62.542 -4.448 7.524 1.00 0.00 C ATOM 455 CD LYS A 29 61.060 -4.109 7.714 1.00 0.00 C ATOM 456 CE LYS A 29 60.883 -3.238 8.961 1.00 0.00 C ATOM 457 NZ LYS A 29 59.526 -3.464 9.535 1.00 0.00 N ATOM 0 H LYS A 29 64.691 -3.252 6.263 1.00 0.00 H new ATOM 0 HA LYS A 29 64.482 -6.053 6.633 1.00 0.00 H new ATOM 0 HB2 LYS A 29 62.538 -4.060 5.399 1.00 0.00 H new ATOM 0 HB3 LYS A 29 62.138 -5.713 5.820 1.00 0.00 H new ATOM 0 HG2 LYS A 29 62.833 -5.248 8.205 1.00 0.00 H new ATOM 0 HG3 LYS A 29 63.158 -3.582 7.767 1.00 0.00 H new ATOM 0 HD2 LYS A 29 60.682 -3.585 6.836 1.00 0.00 H new ATOM 0 HD3 LYS A 29 60.478 -5.025 7.813 1.00 0.00 H new ATOM 0 HE2 LYS A 29 61.647 -3.481 9.699 1.00 0.00 H new ATOM 0 HE3 LYS A 29 61.011 -2.186 8.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 59.123 -2.556 9.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 58.910 -3.890 8.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 59.597 -4.105 10.351 1.00 0.00 H new ATOM 471 N ILE A 30 64.760 -4.888 3.558 1.00 0.00 N ATOM 472 CA ILE A 30 64.998 -5.286 2.176 1.00 0.00 C ATOM 473 C ILE A 30 66.223 -6.201 2.114 1.00 0.00 C ATOM 474 O ILE A 30 66.199 -7.242 1.456 1.00 0.00 O ATOM 475 CB ILE A 30 65.230 -4.057 1.281 1.00 0.00 C ATOM 476 CG1 ILE A 30 64.004 -3.123 1.293 1.00 0.00 C ATOM 477 CG2 ILE A 30 65.493 -4.518 -0.155 1.00 0.00 C ATOM 478 CD1 ILE A 30 62.710 -3.931 1.188 1.00 0.00 C ATOM 0 H ILE A 30 64.823 -3.885 3.733 1.00 0.00 H new ATOM 0 HA ILE A 30 64.118 -5.816 1.812 1.00 0.00 H new ATOM 0 HB ILE A 30 66.089 -3.509 1.667 1.00 0.00 H new ATOM 0 HG12 ILE A 30 63.998 -2.534 2.210 1.00 0.00 H new ATOM 0 HG13 ILE A 30 64.068 -2.419 0.463 1.00 0.00 H new ATOM 0 HG21 ILE A 30 65.658 -3.649 -0.792 1.00 0.00 H new ATOM 0 HG22 ILE A 30 66.376 -5.156 -0.176 1.00 0.00 H new ATOM 0 HG23 ILE A 30 64.632 -5.078 -0.521 1.00 0.00 H new ATOM 0 HD11 ILE A 30 61.856 -3.254 1.198 1.00 0.00 H new ATOM 0 HD12 ILE A 30 62.711 -4.500 0.258 1.00 0.00 H new ATOM 0 HD13 ILE A 30 62.639 -4.616 2.033 1.00 0.00 H new ATOM 490 N GLN A 31 67.283 -5.806 2.808 1.00 0.00 N ATOM 491 CA GLN A 31 68.519 -6.588 2.845 1.00 0.00 C ATOM 492 C GLN A 31 68.355 -7.882 3.649 1.00 0.00 C ATOM 493 O GLN A 31 69.002 -8.887 3.356 1.00 0.00 O ATOM 494 CB GLN A 31 69.641 -5.749 3.454 1.00 0.00 C ATOM 495 CG GLN A 31 70.984 -6.491 3.324 1.00 0.00 C ATOM 496 CD GLN A 31 71.616 -6.681 4.700 1.00 0.00 C ATOM 497 OE1 GLN A 31 71.543 -7.769 5.272 1.00 0.00 O ATOM 498 NE2 GLN A 31 72.238 -5.684 5.266 1.00 0.00 N ATOM 0 H GLN A 31 67.314 -4.946 3.356 1.00 0.00 H new ATOM 0 HA GLN A 31 68.767 -6.861 1.819 1.00 0.00 H new ATOM 0 HB2 GLN A 31 69.699 -4.784 2.950 1.00 0.00 H new ATOM 0 HB3 GLN A 31 69.427 -5.548 4.504 1.00 0.00 H new ATOM 0 HG2 GLN A 31 70.828 -7.460 2.850 1.00 0.00 H new ATOM 0 HG3 GLN A 31 71.659 -5.927 2.680 1.00 0.00 H new ATOM 0 HE21 GLN A 31 72.297 -4.784 4.790 1.00 0.00 H new ATOM 0 HE22 GLN A 31 72.665 -5.805 6.184 1.00 0.00 H new ATOM 507 N ASP A 32 67.523 -7.840 4.685 1.00 0.00 N ATOM 508 CA ASP A 32 67.329 -9.009 5.545 1.00 0.00 C ATOM 509 C ASP A 32 66.834 -10.228 4.762 1.00 0.00 C ATOM 510 O ASP A 32 67.334 -11.335 4.961 1.00 0.00 O ATOM 511 CB ASP A 32 66.329 -8.677 6.654 1.00 0.00 C ATOM 512 CG ASP A 32 66.915 -7.622 7.585 1.00 0.00 C ATOM 513 OD1 ASP A 32 68.130 -7.505 7.625 1.00 0.00 O ATOM 514 OD2 ASP A 32 66.143 -6.945 8.244 1.00 0.00 O ATOM 0 H ASP A 32 66.977 -7.020 4.950 1.00 0.00 H new ATOM 0 HA ASP A 32 68.299 -9.261 5.974 1.00 0.00 H new ATOM 0 HB2 ASP A 32 65.398 -8.313 6.219 1.00 0.00 H new ATOM 0 HB3 ASP A 32 66.087 -9.578 7.218 1.00 0.00 H new ATOM 519 N LYS A 33 65.857 -10.033 3.880 1.00 0.00 N ATOM 520 CA LYS A 33 65.325 -11.150 3.097 1.00 0.00 C ATOM 521 C LYS A 33 66.413 -11.741 2.201 1.00 0.00 C ATOM 522 O LYS A 33 66.694 -12.938 2.253 1.00 0.00 O ATOM 523 CB LYS A 33 64.154 -10.670 2.235 1.00 0.00 C ATOM 524 CG LYS A 33 63.054 -10.084 3.130 1.00 0.00 C ATOM 525 CD LYS A 33 62.181 -11.212 3.699 1.00 0.00 C ATOM 526 CE LYS A 33 61.699 -10.833 5.101 1.00 0.00 C ATOM 527 NZ LYS A 33 60.499 -11.644 5.447 1.00 0.00 N ATOM 0 H LYS A 33 65.423 -9.130 3.690 1.00 0.00 H new ATOM 0 HA LYS A 33 64.978 -11.921 3.784 1.00 0.00 H new ATOM 0 HB2 LYS A 33 64.498 -9.917 1.526 1.00 0.00 H new ATOM 0 HB3 LYS A 33 63.756 -11.500 1.651 1.00 0.00 H new ATOM 0 HG2 LYS A 33 63.502 -9.514 3.944 1.00 0.00 H new ATOM 0 HG3 LYS A 33 62.438 -9.391 2.557 1.00 0.00 H new ATOM 0 HD2 LYS A 33 61.327 -11.389 3.046 1.00 0.00 H new ATOM 0 HD3 LYS A 33 62.750 -12.141 3.738 1.00 0.00 H new ATOM 0 HE2 LYS A 33 62.491 -11.007 5.829 1.00 0.00 H new ATOM 0 HE3 LYS A 33 61.457 -9.771 5.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 60.120 -11.329 6.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 59.774 -11.522 4.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 60.764 -12.648 5.509 1.00 0.00 H new ATOM 541 N GLU A 34 67.032 -10.883 1.400 1.00 0.00 N ATOM 542 CA GLU A 34 68.111 -11.298 0.506 1.00 0.00 C ATOM 543 C GLU A 34 69.258 -10.314 0.658 1.00 0.00 C ATOM 544 O GLU A 34 69.038 -9.186 1.093 1.00 0.00 O ATOM 545 CB GLU A 34 67.629 -11.300 -0.950 1.00 0.00 C ATOM 546 CG GLU A 34 66.817 -12.566 -1.234 1.00 0.00 C ATOM 547 CD GLU A 34 66.537 -12.671 -2.730 1.00 0.00 C ATOM 548 OE1 GLU A 34 66.816 -11.712 -3.432 1.00 0.00 O ATOM 549 OE2 GLU A 34 66.047 -13.706 -3.150 1.00 0.00 O ATOM 0 H GLU A 34 66.805 -9.890 1.350 1.00 0.00 H new ATOM 0 HA GLU A 34 68.433 -12.307 0.764 1.00 0.00 H new ATOM 0 HB2 GLU A 34 67.019 -10.417 -1.140 1.00 0.00 H new ATOM 0 HB3 GLU A 34 68.484 -11.248 -1.624 1.00 0.00 H new ATOM 0 HG2 GLU A 34 67.365 -13.445 -0.894 1.00 0.00 H new ATOM 0 HG3 GLU A 34 65.879 -12.540 -0.679 1.00 0.00 H new ATOM 556 N GLY A 35 70.480 -10.712 0.322 1.00 0.00 N ATOM 557 CA GLY A 35 71.581 -9.775 0.478 1.00 0.00 C ATOM 558 C GLY A 35 71.599 -8.783 -0.659 1.00 0.00 C ATOM 559 O GLY A 35 71.926 -9.103 -1.801 1.00 0.00 O ATOM 0 H GLY A 35 70.726 -11.632 -0.043 1.00 0.00 H new ATOM 0 HA2 GLY A 35 71.485 -9.247 1.427 1.00 0.00 H new ATOM 0 HA3 GLY A 35 72.526 -10.318 0.509 1.00 0.00 H new ATOM 563 N ILE A 36 71.303 -7.563 -0.289 1.00 0.00 N ATOM 564 CA ILE A 36 71.325 -6.439 -1.185 1.00 0.00 C ATOM 565 C ILE A 36 71.580 -5.245 -0.300 1.00 0.00 C ATOM 566 O ILE A 36 70.797 -4.986 0.615 1.00 0.00 O ATOM 567 CB ILE A 36 69.988 -6.290 -1.929 1.00 0.00 C ATOM 568 CG1 ILE A 36 68.834 -6.663 -0.994 1.00 0.00 C ATOM 569 CG2 ILE A 36 69.977 -7.212 -3.154 1.00 0.00 C ATOM 570 CD1 ILE A 36 67.514 -6.632 -1.763 1.00 0.00 C ATOM 0 H ILE A 36 71.034 -7.320 0.665 1.00 0.00 H new ATOM 0 HA ILE A 36 72.086 -6.553 -1.957 1.00 0.00 H new ATOM 0 HB ILE A 36 69.868 -5.256 -2.253 1.00 0.00 H new ATOM 0 HG12 ILE A 36 68.999 -7.656 -0.576 1.00 0.00 H new ATOM 0 HG13 ILE A 36 68.794 -5.967 -0.156 1.00 0.00 H new ATOM 0 HG21 ILE A 36 69.029 -7.106 -3.681 1.00 0.00 H new ATOM 0 HG22 ILE A 36 70.795 -6.941 -3.821 1.00 0.00 H new ATOM 0 HG23 ILE A 36 70.099 -8.246 -2.832 1.00 0.00 H new ATOM 0 HD11 ILE A 36 66.696 -6.898 -1.093 1.00 0.00 H new ATOM 0 HD12 ILE A 36 67.347 -5.630 -2.159 1.00 0.00 H new ATOM 0 HD13 ILE A 36 67.556 -7.345 -2.586 1.00 0.00 H new ATOM 582 N PRO A 37 72.633 -4.528 -0.493 1.00 0.00 N ATOM 583 CA PRO A 37 72.903 -3.386 0.393 1.00 0.00 C ATOM 584 C PRO A 37 71.782 -2.340 0.299 1.00 0.00 C ATOM 585 O PRO A 37 71.420 -1.911 -0.797 1.00 0.00 O ATOM 586 CB PRO A 37 74.256 -2.846 -0.074 1.00 0.00 C ATOM 587 CG PRO A 37 74.732 -3.700 -1.214 1.00 0.00 C ATOM 588 CD PRO A 37 73.645 -4.722 -1.536 1.00 0.00 C ATOM 0 HA PRO A 37 72.934 -3.666 1.446 1.00 0.00 H new ATOM 0 HB2 PRO A 37 74.162 -1.807 -0.390 1.00 0.00 H new ATOM 0 HB3 PRO A 37 74.977 -2.867 0.744 1.00 0.00 H new ATOM 0 HG2 PRO A 37 74.944 -3.083 -2.087 1.00 0.00 H new ATOM 0 HG3 PRO A 37 75.661 -4.205 -0.948 1.00 0.00 H new ATOM 0 HD2 PRO A 37 73.227 -4.557 -2.529 1.00 0.00 H new ATOM 0 HD3 PRO A 37 74.039 -5.738 -1.521 1.00 0.00 H new ATOM 596 N PRO A 38 71.218 -1.940 1.418 1.00 0.00 N ATOM 597 CA PRO A 38 70.109 -0.943 1.439 1.00 0.00 C ATOM 598 C PRO A 38 70.541 0.416 0.887 1.00 0.00 C ATOM 599 O PRO A 38 69.806 1.054 0.132 1.00 0.00 O ATOM 600 CB PRO A 38 69.682 -0.834 2.907 1.00 0.00 C ATOM 601 CG PRO A 38 70.548 -1.764 3.701 1.00 0.00 C ATOM 602 CD PRO A 38 71.584 -2.394 2.767 1.00 0.00 C ATOM 0 HA PRO A 38 69.287 -1.263 0.798 1.00 0.00 H new ATOM 0 HB2 PRO A 38 69.793 0.190 3.263 1.00 0.00 H new ATOM 0 HB3 PRO A 38 68.631 -1.099 3.021 1.00 0.00 H new ATOM 0 HG2 PRO A 38 71.046 -1.222 4.505 1.00 0.00 H new ATOM 0 HG3 PRO A 38 69.940 -2.539 4.168 1.00 0.00 H new ATOM 0 HD2 PRO A 38 72.593 -2.077 3.028 1.00 0.00 H new ATOM 0 HD3 PRO A 38 71.564 -3.482 2.835 1.00 0.00 H new ATOM 610 N ASP A 39 71.733 0.857 1.278 1.00 0.00 N ATOM 611 CA ASP A 39 72.253 2.142 0.827 1.00 0.00 C ATOM 612 C ASP A 39 72.358 2.177 -0.694 1.00 0.00 C ATOM 613 O ASP A 39 72.459 3.248 -1.294 1.00 0.00 O ATOM 614 CB ASP A 39 73.632 2.390 1.446 1.00 0.00 C ATOM 615 CG ASP A 39 74.371 1.067 1.621 1.00 0.00 C ATOM 616 OD1 ASP A 39 74.008 0.322 2.518 1.00 0.00 O ATOM 617 OD2 ASP A 39 75.289 0.818 0.858 1.00 0.00 O ATOM 0 H ASP A 39 72.355 0.345 1.904 1.00 0.00 H new ATOM 0 HA ASP A 39 71.565 2.925 1.146 1.00 0.00 H new ATOM 0 HB2 ASP A 39 74.211 3.058 0.808 1.00 0.00 H new ATOM 0 HB3 ASP A 39 73.523 2.885 2.411 1.00 0.00 H new ATOM 622 N GLN A 40 72.332 0.999 -1.311 1.00 0.00 N ATOM 623 CA GLN A 40 72.424 0.904 -2.765 1.00 0.00 C ATOM 624 C GLN A 40 71.091 0.460 -3.354 1.00 0.00 C ATOM 625 O GLN A 40 70.996 0.187 -4.550 1.00 0.00 O ATOM 626 CB GLN A 40 73.511 -0.097 -3.158 1.00 0.00 C ATOM 627 CG GLN A 40 74.809 0.234 -2.419 1.00 0.00 C ATOM 628 CD GLN A 40 75.364 1.568 -2.909 1.00 0.00 C ATOM 629 OE1 GLN A 40 74.961 2.624 -2.422 1.00 0.00 O ATOM 630 NE2 GLN A 40 76.269 1.586 -3.851 1.00 0.00 N ATOM 0 H GLN A 40 72.249 0.103 -0.831 1.00 0.00 H new ATOM 0 HA GLN A 40 72.678 1.888 -3.159 1.00 0.00 H new ATOM 0 HB2 GLN A 40 73.191 -1.110 -2.915 1.00 0.00 H new ATOM 0 HB3 GLN A 40 73.676 -0.065 -4.235 1.00 0.00 H new ATOM 0 HG2 GLN A 40 74.624 0.280 -1.346 1.00 0.00 H new ATOM 0 HG3 GLN A 40 75.542 -0.556 -2.583 1.00 0.00 H new ATOM 0 HE21 GLN A 40 76.603 0.711 -4.254 1.00 0.00 H new ATOM 0 HE22 GLN A 40 76.642 2.475 -4.183 1.00 0.00 H new ATOM 639 N GLN A 41 70.063 0.388 -2.508 1.00 0.00 N ATOM 640 CA GLN A 41 68.739 -0.028 -2.966 1.00 0.00 C ATOM 641 C GLN A 41 67.718 1.097 -2.801 1.00 0.00 C ATOM 642 O GLN A 41 67.580 1.679 -1.725 1.00 0.00 O ATOM 643 CB GLN A 41 68.273 -1.266 -2.195 1.00 0.00 C ATOM 644 CG GLN A 41 66.986 -1.811 -2.829 1.00 0.00 C ATOM 645 CD GLN A 41 67.315 -2.686 -4.035 1.00 0.00 C ATOM 646 OE1 GLN A 41 68.186 -2.344 -4.836 1.00 0.00 O ATOM 647 NE2 GLN A 41 66.662 -3.800 -4.218 1.00 0.00 N ATOM 0 H GLN A 41 70.120 0.610 -1.514 1.00 0.00 H new ATOM 0 HA GLN A 41 68.815 -0.271 -4.026 1.00 0.00 H new ATOM 0 HB2 GLN A 41 69.050 -2.030 -2.210 1.00 0.00 H new ATOM 0 HB3 GLN A 41 68.096 -1.011 -1.150 1.00 0.00 H new ATOM 0 HG2 GLN A 41 66.428 -2.390 -2.093 1.00 0.00 H new ATOM 0 HG3 GLN A 41 66.346 -0.984 -3.136 1.00 0.00 H new ATOM 0 HE21 GLN A 41 65.941 -4.083 -3.555 1.00 0.00 H new ATOM 0 HE22 GLN A 41 66.873 -4.388 -5.024 1.00 0.00 H new ATOM 656 N ARG A 42 67.000 1.386 -3.887 1.00 0.00 N ATOM 657 CA ARG A 42 65.980 2.434 -3.883 1.00 0.00 C ATOM 658 C ARG A 42 64.651 1.867 -4.382 1.00 0.00 C ATOM 659 O ARG A 42 64.627 1.053 -5.306 1.00 0.00 O ATOM 660 CB ARG A 42 66.419 3.598 -4.786 1.00 0.00 C ATOM 661 CG ARG A 42 67.949 3.658 -4.848 1.00 0.00 C ATOM 662 CD ARG A 42 68.381 4.868 -5.683 1.00 0.00 C ATOM 663 NE ARG A 42 68.296 6.090 -4.888 1.00 0.00 N ATOM 664 CZ ARG A 42 67.206 6.853 -4.907 1.00 0.00 C ATOM 665 NH1 ARG A 42 66.844 7.445 -6.014 1.00 0.00 N ATOM 666 NH2 ARG A 42 66.502 7.015 -3.819 1.00 0.00 N ATOM 0 H ARG A 42 67.107 0.908 -4.782 1.00 0.00 H new ATOM 0 HA ARG A 42 65.854 2.801 -2.864 1.00 0.00 H new ATOM 0 HB2 ARG A 42 66.010 3.467 -5.788 1.00 0.00 H new ATOM 0 HB3 ARG A 42 66.024 4.538 -4.401 1.00 0.00 H new ATOM 0 HG2 ARG A 42 68.361 3.732 -3.842 1.00 0.00 H new ATOM 0 HG3 ARG A 42 68.342 2.741 -5.287 1.00 0.00 H new ATOM 0 HD2 ARG A 42 69.402 4.727 -6.038 1.00 0.00 H new ATOM 0 HD3 ARG A 42 67.746 4.955 -6.565 1.00 0.00 H new ATOM 0 HE ARG A 42 69.088 6.364 -4.307 1.00 0.00 H new ATOM 0 HH11 ARG A 42 67.397 7.322 -6.862 1.00 0.00 H new ATOM 0 HH12 ARG A 42 66.009 8.030 -6.030 1.00 0.00 H new ATOM 0 HH21 ARG A 42 66.788 6.556 -2.954 1.00 0.00 H new ATOM 0 HH22 ARG A 42 65.667 7.600 -3.834 1.00 0.00 H new ATOM 680 N LEU A 43 63.549 2.287 -3.760 1.00 0.00 N ATOM 681 CA LEU A 43 62.222 1.795 -4.149 1.00 0.00 C ATOM 682 C LEU A 43 61.279 2.952 -4.493 1.00 0.00 C ATOM 683 O LEU A 43 61.372 4.036 -3.916 1.00 0.00 O ATOM 684 CB LEU A 43 61.594 0.961 -3.012 1.00 0.00 C ATOM 685 CG LEU A 43 62.561 0.834 -1.823 1.00 0.00 C ATOM 686 CD1 LEU A 43 61.769 0.467 -0.565 1.00 0.00 C ATOM 687 CD2 LEU A 43 63.594 -0.264 -2.106 1.00 0.00 C ATOM 0 H LEU A 43 63.545 2.959 -2.993 1.00 0.00 H new ATOM 0 HA LEU A 43 62.356 1.170 -5.032 1.00 0.00 H new ATOM 0 HB2 LEU A 43 60.666 1.429 -2.683 1.00 0.00 H new ATOM 0 HB3 LEU A 43 61.336 -0.031 -3.383 1.00 0.00 H new ATOM 0 HG LEU A 43 63.075 1.784 -1.675 1.00 0.00 H new ATOM 0 HD11 LEU A 43 62.451 0.376 0.281 1.00 0.00 H new ATOM 0 HD12 LEU A 43 61.035 1.246 -0.357 1.00 0.00 H new ATOM 0 HD13 LEU A 43 61.257 -0.482 -0.722 1.00 0.00 H new ATOM 0 HD21 LEU A 43 64.276 -0.349 -1.260 1.00 0.00 H new ATOM 0 HD22 LEU A 43 63.083 -1.215 -2.257 1.00 0.00 H new ATOM 0 HD23 LEU A 43 64.159 -0.010 -3.003 1.00 0.00 H new ATOM 699 N ILE A 44 60.353 2.701 -5.422 1.00 0.00 N ATOM 700 CA ILE A 44 59.371 3.713 -5.821 1.00 0.00 C ATOM 701 C ILE A 44 57.982 3.081 -5.924 1.00 0.00 C ATOM 702 O ILE A 44 57.844 1.945 -6.379 1.00 0.00 O ATOM 703 CB ILE A 44 59.761 4.349 -7.161 1.00 0.00 C ATOM 704 CG1 ILE A 44 59.414 3.399 -8.315 1.00 0.00 C ATOM 705 CG2 ILE A 44 61.265 4.636 -7.172 1.00 0.00 C ATOM 706 CD1 ILE A 44 60.057 3.903 -9.612 1.00 0.00 C ATOM 0 H ILE A 44 60.262 1.810 -5.910 1.00 0.00 H new ATOM 0 HA ILE A 44 59.353 4.495 -5.062 1.00 0.00 H new ATOM 0 HB ILE A 44 59.209 5.280 -7.287 1.00 0.00 H new ATOM 0 HG12 ILE A 44 59.768 2.393 -8.089 1.00 0.00 H new ATOM 0 HG13 ILE A 44 58.332 3.337 -8.435 1.00 0.00 H new ATOM 0 HG21 ILE A 44 61.542 5.088 -8.124 1.00 0.00 H new ATOM 0 HG22 ILE A 44 61.511 5.321 -6.360 1.00 0.00 H new ATOM 0 HG23 ILE A 44 61.814 3.704 -7.039 1.00 0.00 H new ATOM 0 HD11 ILE A 44 59.808 3.225 -10.429 1.00 0.00 H new ATOM 0 HD12 ILE A 44 59.681 4.900 -9.841 1.00 0.00 H new ATOM 0 HD13 ILE A 44 61.139 3.942 -9.490 1.00 0.00 H new ATOM 718 N PHE A 45 56.956 3.817 -5.495 1.00 0.00 N ATOM 719 CA PHE A 45 55.585 3.305 -5.539 1.00 0.00 C ATOM 720 C PHE A 45 54.675 4.237 -6.333 1.00 0.00 C ATOM 721 O PHE A 45 54.664 5.448 -6.116 1.00 0.00 O ATOM 722 CB PHE A 45 55.050 3.151 -4.109 1.00 0.00 C ATOM 723 CG PHE A 45 53.545 2.996 -4.125 1.00 0.00 C ATOM 724 CD1 PHE A 45 52.972 1.785 -4.526 1.00 0.00 C ATOM 725 CD2 PHE A 45 52.727 4.062 -3.730 1.00 0.00 C ATOM 726 CE1 PHE A 45 51.579 1.637 -4.534 1.00 0.00 C ATOM 727 CE2 PHE A 45 51.334 3.914 -3.737 1.00 0.00 C ATOM 728 CZ PHE A 45 50.761 2.703 -4.139 1.00 0.00 C ATOM 0 H PHE A 45 57.046 4.760 -5.117 1.00 0.00 H new ATOM 0 HA PHE A 45 55.595 2.335 -6.037 1.00 0.00 H new ATOM 0 HB2 PHE A 45 55.507 2.283 -3.634 1.00 0.00 H new ATOM 0 HB3 PHE A 45 55.326 4.022 -3.514 1.00 0.00 H new ATOM 0 HD1 PHE A 45 53.604 0.963 -4.830 1.00 0.00 H new ATOM 0 HD2 PHE A 45 53.170 4.997 -3.420 1.00 0.00 H new ATOM 0 HE1 PHE A 45 51.136 0.702 -4.844 1.00 0.00 H new ATOM 0 HE2 PHE A 45 50.702 4.735 -3.432 1.00 0.00 H new ATOM 0 HZ PHE A 45 49.687 2.590 -4.145 1.00 0.00 H new ATOM 738 N ALA A 46 53.905 3.658 -7.248 1.00 0.00 N ATOM 739 CA ALA A 46 52.982 4.438 -8.064 1.00 0.00 C ATOM 740 C ALA A 46 53.671 5.675 -8.634 1.00 0.00 C ATOM 741 O ALA A 46 53.108 6.769 -8.623 1.00 0.00 O ATOM 742 CB ALA A 46 51.781 4.865 -7.220 1.00 0.00 C ATOM 0 H ALA A 46 53.901 2.657 -7.443 1.00 0.00 H new ATOM 0 HA ALA A 46 52.646 3.815 -8.893 1.00 0.00 H new ATOM 0 HB1 ALA A 46 51.094 5.448 -7.834 1.00 0.00 H new ATOM 0 HB2 ALA A 46 51.269 3.980 -6.842 1.00 0.00 H new ATOM 0 HB3 ALA A 46 52.123 5.472 -6.382 1.00 0.00 H new ATOM 748 N GLY A 47 54.888 5.494 -9.136 1.00 0.00 N ATOM 749 CA GLY A 47 55.640 6.602 -9.713 1.00 0.00 C ATOM 750 C GLY A 47 56.320 7.436 -8.630 1.00 0.00 C ATOM 751 O GLY A 47 57.283 8.154 -8.905 1.00 0.00 O ATOM 0 H GLY A 47 55.372 4.596 -9.155 1.00 0.00 H new ATOM 0 HA2 GLY A 47 56.391 6.215 -10.402 1.00 0.00 H new ATOM 0 HA3 GLY A 47 54.970 7.235 -10.295 1.00 0.00 H new ATOM 755 N LYS A 48 55.825 7.337 -7.400 1.00 0.00 N ATOM 756 CA LYS A 48 56.416 8.091 -6.299 1.00 0.00 C ATOM 757 C LYS A 48 57.672 7.394 -5.802 1.00 0.00 C ATOM 758 O LYS A 48 57.707 6.171 -5.682 1.00 0.00 O ATOM 759 CB LYS A 48 55.429 8.231 -5.140 1.00 0.00 C ATOM 760 CG LYS A 48 54.200 9.022 -5.594 1.00 0.00 C ATOM 761 CD LYS A 48 53.343 9.386 -4.372 1.00 0.00 C ATOM 762 CE LYS A 48 53.842 10.699 -3.754 1.00 0.00 C ATOM 763 NZ LYS A 48 53.461 10.748 -2.312 1.00 0.00 N ATOM 0 H LYS A 48 55.030 6.753 -7.143 1.00 0.00 H new ATOM 0 HA LYS A 48 56.668 9.084 -6.671 1.00 0.00 H new ATOM 0 HB2 LYS A 48 55.127 7.245 -4.787 1.00 0.00 H new ATOM 0 HB3 LYS A 48 55.908 8.737 -4.302 1.00 0.00 H new ATOM 0 HG2 LYS A 48 54.510 9.927 -6.116 1.00 0.00 H new ATOM 0 HG3 LYS A 48 53.615 8.432 -6.299 1.00 0.00 H new ATOM 0 HD2 LYS A 48 52.299 9.487 -4.667 1.00 0.00 H new ATOM 0 HD3 LYS A 48 53.390 8.586 -3.633 1.00 0.00 H new ATOM 0 HE2 LYS A 48 54.925 10.774 -3.858 1.00 0.00 H new ATOM 0 HE3 LYS A 48 53.412 11.549 -4.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 53.630 11.705 -1.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 52.454 10.510 -2.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 54.034 10.063 -1.778 1.00 0.00 H new ATOM 777 N GLN A 49 58.699 8.179 -5.518 1.00 0.00 N ATOM 778 CA GLN A 49 59.956 7.624 -5.040 1.00 0.00 C ATOM 779 C GLN A 49 59.982 7.581 -3.518 1.00 0.00 C ATOM 780 O GLN A 49 59.862 8.613 -2.856 1.00 0.00 O ATOM 781 CB GLN A 49 61.125 8.470 -5.552 1.00 0.00 C ATOM 782 CG GLN A 49 61.168 8.415 -7.088 1.00 0.00 C ATOM 783 CD GLN A 49 61.289 9.821 -7.667 1.00 0.00 C ATOM 784 OE1 GLN A 49 62.392 10.355 -7.780 1.00 0.00 O ATOM 785 NE2 GLN A 49 60.213 10.456 -8.041 1.00 0.00 N ATOM 0 H GLN A 49 58.688 9.195 -5.609 1.00 0.00 H new ATOM 0 HA GLN A 49 60.050 6.606 -5.418 1.00 0.00 H new ATOM 0 HB2 GLN A 49 61.014 9.502 -5.218 1.00 0.00 H new ATOM 0 HB3 GLN A 49 62.063 8.100 -5.138 1.00 0.00 H new ATOM 0 HG2 GLN A 49 62.012 7.807 -7.413 1.00 0.00 H new ATOM 0 HG3 GLN A 49 60.265 7.935 -7.467 1.00 0.00 H new ATOM 0 HE21 GLN A 49 59.300 10.012 -7.947 1.00 0.00 H new ATOM 0 HE22 GLN A 49 60.285 11.397 -8.428 1.00 0.00 H new ATOM 794 N LEU A 50 60.159 6.384 -2.968 1.00 0.00 N ATOM 795 CA LEU A 50 60.223 6.230 -1.522 1.00 0.00 C ATOM 796 C LEU A 50 61.604 6.709 -1.055 1.00 0.00 C ATOM 797 O LEU A 50 62.630 6.080 -1.317 1.00 0.00 O ATOM 798 CB LEU A 50 59.960 4.764 -1.147 1.00 0.00 C ATOM 799 CG LEU A 50 58.479 4.419 -1.399 1.00 0.00 C ATOM 800 CD1 LEU A 50 58.233 2.949 -1.044 1.00 0.00 C ATOM 801 CD2 LEU A 50 57.572 5.311 -0.540 1.00 0.00 C ATOM 0 H LEU A 50 60.259 5.517 -3.496 1.00 0.00 H new ATOM 0 HA LEU A 50 59.459 6.829 -1.026 1.00 0.00 H new ATOM 0 HB2 LEU A 50 60.601 4.108 -1.736 1.00 0.00 H new ATOM 0 HB3 LEU A 50 60.209 4.597 -0.099 1.00 0.00 H new ATOM 0 HG LEU A 50 58.248 4.589 -2.451 1.00 0.00 H new ATOM 0 HD11 LEU A 50 57.186 2.702 -1.221 1.00 0.00 H new ATOM 0 HD12 LEU A 50 58.866 2.314 -1.664 1.00 0.00 H new ATOM 0 HD13 LEU A 50 58.472 2.783 0.007 1.00 0.00 H new ATOM 0 HD21 LEU A 50 56.529 5.057 -0.728 1.00 0.00 H new ATOM 0 HD22 LEU A 50 57.800 5.154 0.514 1.00 0.00 H new ATOM 0 HD23 LEU A 50 57.742 6.357 -0.796 1.00 0.00 H new ATOM 813 N GLU A 51 61.592 7.887 -0.439 1.00 0.00 N ATOM 814 CA GLU A 51 62.798 8.596 0.012 1.00 0.00 C ATOM 815 C GLU A 51 63.573 7.976 1.187 1.00 0.00 C ATOM 816 O GLU A 51 63.379 6.839 1.604 1.00 0.00 O ATOM 817 CB GLU A 51 62.416 10.035 0.368 1.00 0.00 C ATOM 818 CG GLU A 51 61.642 10.668 -0.800 1.00 0.00 C ATOM 819 CD GLU A 51 62.021 12.138 -0.951 1.00 0.00 C ATOM 820 OE1 GLU A 51 63.206 12.417 -1.036 1.00 0.00 O ATOM 821 OE2 GLU A 51 61.122 12.962 -0.984 1.00 0.00 O ATOM 0 H GLU A 51 60.729 8.391 -0.232 1.00 0.00 H new ATOM 0 HA GLU A 51 63.488 8.529 -0.829 1.00 0.00 H new ATOM 0 HB2 GLU A 51 61.805 10.047 1.271 1.00 0.00 H new ATOM 0 HB3 GLU A 51 63.312 10.617 0.582 1.00 0.00 H new ATOM 0 HG2 GLU A 51 61.861 10.132 -1.723 1.00 0.00 H new ATOM 0 HG3 GLU A 51 60.570 10.578 -0.626 1.00 0.00 H new ATOM 828 N ASP A 52 64.496 8.810 1.661 1.00 0.00 N ATOM 829 CA ASP A 52 65.433 8.541 2.756 1.00 0.00 C ATOM 830 C ASP A 52 64.814 7.923 3.999 1.00 0.00 C ATOM 831 O ASP A 52 65.487 7.822 5.026 1.00 0.00 O ATOM 832 CB ASP A 52 66.131 9.833 3.160 1.00 0.00 C ATOM 833 CG ASP A 52 67.397 9.516 3.947 1.00 0.00 C ATOM 834 OD1 ASP A 52 67.632 8.347 4.206 1.00 0.00 O ATOM 835 OD2 ASP A 52 68.114 10.446 4.278 1.00 0.00 O ATOM 0 H ASP A 52 64.619 9.745 1.271 1.00 0.00 H new ATOM 0 HA ASP A 52 66.128 7.802 2.358 1.00 0.00 H new ATOM 0 HB2 ASP A 52 66.380 10.414 2.272 1.00 0.00 H new ATOM 0 HB3 ASP A 52 65.461 10.445 3.764 1.00 0.00 H new ATOM 840 N GLY A 53 63.545 7.570 3.962 1.00 0.00 N ATOM 841 CA GLY A 53 62.905 7.042 5.161 1.00 0.00 C ATOM 842 C GLY A 53 61.777 7.920 5.655 1.00 0.00 C ATOM 843 O GLY A 53 61.582 8.108 6.857 1.00 0.00 O ATOM 0 H GLY A 53 62.945 7.634 3.140 1.00 0.00 H new ATOM 0 HA2 GLY A 53 62.519 6.044 4.952 1.00 0.00 H new ATOM 0 HA3 GLY A 53 63.650 6.937 5.949 1.00 0.00 H new ATOM 847 N ARG A 54 60.951 8.337 4.700 1.00 0.00 N ATOM 848 CA ARG A 54 59.741 9.054 5.029 1.00 0.00 C ATOM 849 C ARG A 54 58.809 7.938 5.425 1.00 0.00 C ATOM 850 O ARG A 54 59.059 6.796 5.037 1.00 0.00 O ATOM 851 CB ARG A 54 59.182 9.794 3.804 1.00 0.00 C ATOM 852 CG ARG A 54 59.868 11.166 3.672 1.00 0.00 C ATOM 853 CD ARG A 54 59.100 12.231 4.474 1.00 0.00 C ATOM 854 NE ARG A 54 60.023 12.995 5.308 1.00 0.00 N ATOM 855 CZ ARG A 54 59.594 13.671 6.369 1.00 0.00 C ATOM 856 NH1 ARG A 54 58.540 14.436 6.273 1.00 0.00 N ATOM 857 NH2 ARG A 54 60.226 13.572 7.507 1.00 0.00 N ATOM 0 H ARG A 54 61.102 8.188 3.702 1.00 0.00 H new ATOM 0 HA ARG A 54 59.887 9.814 5.796 1.00 0.00 H new ATOM 0 HB2 ARG A 54 59.349 9.204 2.903 1.00 0.00 H new ATOM 0 HB3 ARG A 54 58.104 9.923 3.905 1.00 0.00 H new ATOM 0 HG2 ARG A 54 60.895 11.102 4.031 1.00 0.00 H new ATOM 0 HG3 ARG A 54 59.915 11.456 2.622 1.00 0.00 H new ATOM 0 HD2 ARG A 54 58.574 12.900 3.793 1.00 0.00 H new ATOM 0 HD3 ARG A 54 58.345 11.753 5.098 1.00 0.00 H new ATOM 0 HE ARG A 54 61.015 13.010 5.072 1.00 0.00 H new ATOM 0 HH11 ARG A 54 58.046 14.515 5.384 1.00 0.00 H new ATOM 0 HH12 ARG A 54 58.211 14.955 7.087 1.00 0.00 H new ATOM 0 HH21 ARG A 54 61.050 12.975 7.583 1.00 0.00 H new ATOM 0 HH22 ARG A 54 59.896 14.091 8.321 1.00 0.00 H new ATOM 871 N THR A 55 57.776 8.175 6.211 1.00 0.00 N ATOM 872 CA THR A 55 56.971 7.026 6.582 1.00 0.00 C ATOM 873 C THR A 55 56.050 6.629 5.439 1.00 0.00 C ATOM 874 O THR A 55 55.478 7.474 4.753 1.00 0.00 O ATOM 875 CB THR A 55 56.157 7.354 7.830 1.00 0.00 C ATOM 876 OG1 THR A 55 56.945 7.101 8.985 1.00 0.00 O ATOM 877 CG2 THR A 55 54.894 6.496 7.884 1.00 0.00 C ATOM 0 H THR A 55 57.488 9.080 6.582 1.00 0.00 H new ATOM 0 HA THR A 55 57.630 6.185 6.796 1.00 0.00 H new ATOM 0 HB THR A 55 55.869 8.405 7.797 1.00 0.00 H new ATOM 0 HG1 THR A 55 56.591 6.319 9.458 1.00 0.00 H new ATOM 0 HG21 THR A 55 54.325 6.742 8.780 1.00 0.00 H new ATOM 0 HG22 THR A 55 54.284 6.690 7.002 1.00 0.00 H new ATOM 0 HG23 THR A 55 55.171 5.442 7.908 1.00 0.00 H new ATOM 885 N LEU A 56 55.914 5.320 5.275 1.00 0.00 N ATOM 886 CA LEU A 56 55.067 4.742 4.246 1.00 0.00 C ATOM 887 C LEU A 56 53.584 4.813 4.595 1.00 0.00 C ATOM 888 O LEU A 56 52.735 4.888 3.705 1.00 0.00 O ATOM 889 CB LEU A 56 55.517 3.322 3.929 1.00 0.00 C ATOM 890 CG LEU A 56 56.210 3.304 2.551 1.00 0.00 C ATOM 891 CD1 LEU A 56 57.448 4.208 2.588 1.00 0.00 C ATOM 892 CD2 LEU A 56 56.644 1.878 2.176 1.00 0.00 C ATOM 0 H LEU A 56 56.390 4.629 5.855 1.00 0.00 H new ATOM 0 HA LEU A 56 55.183 5.345 3.345 1.00 0.00 H new ATOM 0 HB2 LEU A 56 56.202 2.965 4.698 1.00 0.00 H new ATOM 0 HB3 LEU A 56 54.660 2.648 3.927 1.00 0.00 H new ATOM 0 HG LEU A 56 55.501 3.665 1.806 1.00 0.00 H new ATOM 0 HD11 LEU A 56 57.937 4.195 1.614 1.00 0.00 H new ATOM 0 HD12 LEU A 56 57.147 5.227 2.829 1.00 0.00 H new ATOM 0 HD13 LEU A 56 58.141 3.845 3.347 1.00 0.00 H new ATOM 0 HD21 LEU A 56 57.130 1.890 1.201 1.00 0.00 H new ATOM 0 HD22 LEU A 56 57.341 1.501 2.924 1.00 0.00 H new ATOM 0 HD23 LEU A 56 55.769 1.230 2.137 1.00 0.00 H new ATOM 904 N SER A 57 53.261 4.775 5.879 1.00 0.00 N ATOM 905 CA SER A 57 51.863 4.826 6.265 1.00 0.00 C ATOM 906 C SER A 57 51.260 6.053 5.640 1.00 0.00 C ATOM 907 O SER A 57 50.100 6.063 5.229 1.00 0.00 O ATOM 908 CB SER A 57 51.719 4.892 7.789 1.00 0.00 C ATOM 909 OG SER A 57 50.418 5.361 8.118 1.00 0.00 O ATOM 0 H SER A 57 53.927 4.711 6.649 1.00 0.00 H new ATOM 0 HA SER A 57 51.352 3.926 5.923 1.00 0.00 H new ATOM 0 HB2 SER A 57 51.884 3.906 8.224 1.00 0.00 H new ATOM 0 HB3 SER A 57 52.474 5.556 8.209 1.00 0.00 H new ATOM 0 HG SER A 57 50.322 5.403 9.092 1.00 0.00 H new ATOM 915 N ASP A 58 52.093 7.085 5.520 1.00 0.00 N ATOM 916 CA ASP A 58 51.690 8.326 4.881 1.00 0.00 C ATOM 917 C ASP A 58 51.588 8.104 3.374 1.00 0.00 C ATOM 918 O ASP A 58 50.850 8.799 2.679 1.00 0.00 O ATOM 919 CB ASP A 58 52.711 9.430 5.165 1.00 0.00 C ATOM 920 CG ASP A 58 52.312 10.704 4.427 1.00 0.00 C ATOM 921 OD1 ASP A 58 51.271 11.250 4.750 1.00 0.00 O ATOM 922 OD2 ASP A 58 53.052 11.113 3.546 1.00 0.00 O ATOM 0 H ASP A 58 53.055 7.081 5.860 1.00 0.00 H new ATOM 0 HA ASP A 58 50.723 8.633 5.280 1.00 0.00 H new ATOM 0 HB2 ASP A 58 52.765 9.621 6.237 1.00 0.00 H new ATOM 0 HB3 ASP A 58 53.704 9.111 4.848 1.00 0.00 H new ATOM 927 N TYR A 59 52.350 7.122 2.882 1.00 0.00 N ATOM 928 CA TYR A 59 52.358 6.797 1.457 1.00 0.00 C ATOM 929 C TYR A 59 51.137 5.959 1.101 1.00 0.00 C ATOM 930 O TYR A 59 50.993 5.504 -0.034 1.00 0.00 O ATOM 931 CB TYR A 59 53.636 6.031 1.099 1.00 0.00 C ATOM 932 CG TYR A 59 54.676 7.002 0.642 1.00 0.00 C ATOM 933 CD1 TYR A 59 55.525 7.606 1.568 1.00 0.00 C ATOM 934 CD2 TYR A 59 54.776 7.307 -0.712 1.00 0.00 C ATOM 935 CE1 TYR A 59 56.490 8.524 1.134 1.00 0.00 C ATOM 936 CE2 TYR A 59 55.739 8.225 -1.148 1.00 0.00 C ATOM 937 CZ TYR A 59 56.596 8.835 -0.227 1.00 0.00 C ATOM 938 OH TYR A 59 57.543 9.743 -0.658 1.00 0.00 O ATOM 0 H TYR A 59 52.967 6.541 3.450 1.00 0.00 H new ATOM 0 HA TYR A 59 52.328 7.726 0.887 1.00 0.00 H new ATOM 0 HB2 TYR A 59 53.996 5.474 1.964 1.00 0.00 H new ATOM 0 HB3 TYR A 59 53.431 5.303 0.314 1.00 0.00 H new ATOM 0 HD1 TYR A 59 55.439 7.367 2.618 1.00 0.00 H new ATOM 0 HD2 TYR A 59 54.113 6.837 -1.424 1.00 0.00 H new ATOM 0 HE1 TYR A 59 57.151 8.991 1.848 1.00 0.00 H new ATOM 0 HE2 TYR A 59 55.820 8.463 -2.198 1.00 0.00 H new ATOM 0 HH TYR A 59 57.482 9.842 -1.631 1.00 0.00 H new ATOM 948 N ASN A 60 50.260 5.762 2.074 1.00 0.00 N ATOM 949 CA ASN A 60 49.055 4.982 1.847 1.00 0.00 C ATOM 950 C ASN A 60 49.403 3.622 1.249 1.00 0.00 C ATOM 951 O ASN A 60 48.757 3.170 0.303 1.00 0.00 O ATOM 952 CB ASN A 60 48.114 5.737 0.898 1.00 0.00 C ATOM 953 CG ASN A 60 48.351 7.241 1.015 1.00 0.00 C ATOM 954 OD1 ASN A 60 48.493 7.763 2.119 1.00 0.00 O ATOM 955 ND2 ASN A 60 48.401 7.968 -0.067 1.00 0.00 N ATOM 0 H ASN A 60 50.359 6.129 3.021 1.00 0.00 H new ATOM 0 HA ASN A 60 48.557 4.828 2.804 1.00 0.00 H new ATOM 0 HB2 ASN A 60 48.283 5.413 -0.129 1.00 0.00 H new ATOM 0 HB3 ASN A 60 47.077 5.504 1.139 1.00 0.00 H new ATOM 0 HD21 ASN A 60 48.558 8.973 0.001 1.00 0.00 H new ATOM 0 HD22 ASN A 60 48.283 7.531 -0.981 1.00 0.00 H new ATOM 962 N ILE A 61 50.424 2.967 1.798 1.00 0.00 N ATOM 963 CA ILE A 61 50.816 1.664 1.285 1.00 0.00 C ATOM 964 C ILE A 61 49.694 0.665 1.515 1.00 0.00 C ATOM 965 O ILE A 61 49.027 0.668 2.549 1.00 0.00 O ATOM 966 CB ILE A 61 52.098 1.169 1.941 1.00 0.00 C ATOM 967 CG1 ILE A 61 53.235 2.156 1.663 1.00 0.00 C ATOM 968 CG2 ILE A 61 52.463 -0.202 1.375 1.00 0.00 C ATOM 969 CD1 ILE A 61 53.352 2.428 0.158 1.00 0.00 C ATOM 0 H ILE A 61 50.981 3.310 2.580 1.00 0.00 H new ATOM 0 HA ILE A 61 51.006 1.763 0.216 1.00 0.00 H new ATOM 0 HB ILE A 61 51.945 1.090 3.017 1.00 0.00 H new ATOM 0 HG12 ILE A 61 53.052 3.090 2.195 1.00 0.00 H new ATOM 0 HG13 ILE A 61 54.175 1.753 2.040 1.00 0.00 H new ATOM 0 HG21 ILE A 61 53.381 -0.557 1.844 1.00 0.00 H new ATOM 0 HG22 ILE A 61 51.656 -0.906 1.578 1.00 0.00 H new ATOM 0 HG23 ILE A 61 52.613 -0.123 0.298 1.00 0.00 H new ATOM 0 HD11 ILE A 61 54.165 3.131 -0.022 1.00 0.00 H new ATOM 0 HD12 ILE A 61 53.557 1.494 -0.366 1.00 0.00 H new ATOM 0 HD13 ILE A 61 52.417 2.852 -0.209 1.00 0.00 H new ATOM 981 N GLN A 62 49.464 -0.141 0.491 1.00 0.00 N ATOM 982 CA GLN A 62 48.387 -1.117 0.485 1.00 0.00 C ATOM 983 C GLN A 62 48.843 -2.544 0.764 1.00 0.00 C ATOM 984 O GLN A 62 49.996 -2.816 1.090 1.00 0.00 O ATOM 985 CB GLN A 62 47.662 -1.080 -0.859 1.00 0.00 C ATOM 986 CG GLN A 62 48.525 -1.741 -1.933 1.00 0.00 C ATOM 987 CD GLN A 62 48.022 -1.343 -3.317 1.00 0.00 C ATOM 988 OE1 GLN A 62 47.408 -2.154 -4.012 1.00 0.00 O ATOM 989 NE2 GLN A 62 48.247 -0.136 -3.763 1.00 0.00 N ATOM 0 H GLN A 62 50.022 -0.136 -0.363 1.00 0.00 H new ATOM 0 HA GLN A 62 47.721 -0.834 1.300 1.00 0.00 H new ATOM 0 HB2 GLN A 62 46.705 -1.596 -0.780 1.00 0.00 H new ATOM 0 HB3 GLN A 62 47.446 -0.049 -1.137 1.00 0.00 H new ATOM 0 HG2 GLN A 62 49.565 -1.439 -1.813 1.00 0.00 H new ATOM 0 HG3 GLN A 62 48.493 -2.825 -1.822 1.00 0.00 H new ATOM 0 HE21 GLN A 62 48.755 0.534 -3.186 1.00 0.00 H new ATOM 0 HE22 GLN A 62 47.914 0.136 -4.688 1.00 0.00 H new ATOM 998 N LYS A 63 47.856 -3.413 0.623 1.00 0.00 N ATOM 999 CA LYS A 63 47.941 -4.859 0.815 1.00 0.00 C ATOM 1000 C LYS A 63 49.206 -5.518 0.245 1.00 0.00 C ATOM 1001 O LYS A 63 49.140 -6.677 -0.150 1.00 0.00 O ATOM 1002 CB LYS A 63 46.700 -5.530 0.207 1.00 0.00 C ATOM 1003 CG LYS A 63 46.400 -6.845 0.948 1.00 0.00 C ATOM 1004 CD LYS A 63 44.954 -7.297 0.670 1.00 0.00 C ATOM 1005 CE LYS A 63 44.909 -8.219 -0.555 1.00 0.00 C ATOM 1006 NZ LYS A 63 44.984 -7.402 -1.797 1.00 0.00 N ATOM 0 H LYS A 63 46.918 -3.115 0.356 1.00 0.00 H new ATOM 0 HA LYS A 63 47.992 -5.008 1.894 1.00 0.00 H new ATOM 0 HB2 LYS A 63 45.843 -4.860 0.276 1.00 0.00 H new ATOM 0 HB3 LYS A 63 46.865 -5.729 -0.852 1.00 0.00 H new ATOM 0 HG2 LYS A 63 47.098 -7.618 0.628 1.00 0.00 H new ATOM 0 HG3 LYS A 63 46.546 -6.708 2.019 1.00 0.00 H new ATOM 0 HD2 LYS A 63 44.555 -7.818 1.540 1.00 0.00 H new ATOM 0 HD3 LYS A 63 44.320 -6.427 0.502 1.00 0.00 H new ATOM 0 HE2 LYS A 63 45.738 -8.926 -0.522 1.00 0.00 H new ATOM 0 HE3 LYS A 63 43.990 -8.805 -0.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 44.324 -7.784 -2.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 44.729 -6.417 -1.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 45.952 -7.433 -2.175 1.00 0.00 H new ATOM 1020 N GLU A 64 50.327 -4.794 0.170 1.00 0.00 N ATOM 1021 CA GLU A 64 51.572 -5.342 -0.405 1.00 0.00 C ATOM 1022 C GLU A 64 51.704 -5.071 -1.902 1.00 0.00 C ATOM 1023 O GLU A 64 51.931 -5.957 -2.722 1.00 0.00 O ATOM 1024 CB GLU A 64 51.673 -6.858 -0.112 1.00 0.00 C ATOM 1025 CG GLU A 64 51.037 -7.706 -1.236 1.00 0.00 C ATOM 1026 CD GLU A 64 50.347 -8.928 -0.638 1.00 0.00 C ATOM 1027 OE1 GLU A 64 50.820 -9.413 0.378 1.00 0.00 O ATOM 1028 OE2 GLU A 64 49.357 -9.360 -1.203 1.00 0.00 O ATOM 0 H GLU A 64 50.404 -3.831 0.497 1.00 0.00 H new ATOM 0 HA GLU A 64 52.402 -4.825 0.077 1.00 0.00 H new ATOM 0 HB2 GLU A 64 52.720 -7.136 0.004 1.00 0.00 H new ATOM 0 HB3 GLU A 64 51.178 -7.079 0.834 1.00 0.00 H new ATOM 0 HG2 GLU A 64 50.316 -7.107 -1.792 1.00 0.00 H new ATOM 0 HG3 GLU A 64 51.804 -8.021 -1.944 1.00 0.00 H new ATOM 1035 N SER A 65 51.596 -3.787 -2.216 1.00 0.00 N ATOM 1036 CA SER A 65 51.742 -3.288 -3.576 1.00 0.00 C ATOM 1037 C SER A 65 53.136 -3.578 -4.129 1.00 0.00 C ATOM 1038 O SER A 65 54.105 -3.687 -3.378 1.00 0.00 O ATOM 1039 CB SER A 65 51.554 -1.783 -3.570 1.00 0.00 C ATOM 1040 OG SER A 65 51.908 -1.271 -2.291 1.00 0.00 O ATOM 0 H SER A 65 51.403 -3.058 -1.529 1.00 0.00 H new ATOM 0 HA SER A 65 50.998 -3.785 -4.199 1.00 0.00 H new ATOM 0 HB2 SER A 65 52.172 -1.325 -4.342 1.00 0.00 H new ATOM 0 HB3 SER A 65 50.518 -1.533 -3.801 1.00 0.00 H new ATOM 0 HG SER A 65 51.789 -0.298 -2.284 1.00 0.00 H new ATOM 1046 N THR A 66 53.228 -3.677 -5.450 1.00 0.00 N ATOM 1047 CA THR A 66 54.506 -3.935 -6.103 1.00 0.00 C ATOM 1048 C THR A 66 55.270 -2.634 -6.335 1.00 0.00 C ATOM 1049 O THR A 66 54.768 -1.713 -6.979 1.00 0.00 O ATOM 1050 CB THR A 66 54.265 -4.618 -7.450 1.00 0.00 C ATOM 1051 OG1 THR A 66 53.333 -5.677 -7.287 1.00 0.00 O ATOM 1052 CG2 THR A 66 55.586 -5.168 -7.986 1.00 0.00 C ATOM 0 H THR A 66 52.437 -3.583 -6.087 1.00 0.00 H new ATOM 0 HA THR A 66 55.098 -4.581 -5.454 1.00 0.00 H new ATOM 0 HB THR A 66 53.863 -3.894 -8.159 1.00 0.00 H new ATOM 0 HG1 THR A 66 53.811 -6.502 -7.060 1.00 0.00 H new ATOM 0 HG21 THR A 66 55.415 -5.655 -8.946 1.00 0.00 H new ATOM 0 HG22 THR A 66 56.295 -4.350 -8.115 1.00 0.00 H new ATOM 0 HG23 THR A 66 55.992 -5.892 -7.279 1.00 0.00 H new ATOM 1060 N LEU A 67 56.495 -2.576 -5.816 1.00 0.00 N ATOM 1061 CA LEU A 67 57.338 -1.394 -5.980 1.00 0.00 C ATOM 1062 C LEU A 67 58.315 -1.629 -7.126 1.00 0.00 C ATOM 1063 O LEU A 67 58.890 -2.710 -7.251 1.00 0.00 O ATOM 1064 CB LEU A 67 58.112 -1.104 -4.685 1.00 0.00 C ATOM 1065 CG LEU A 67 57.203 -0.385 -3.683 1.00 0.00 C ATOM 1066 CD1 LEU A 67 55.874 -1.132 -3.557 1.00 0.00 C ATOM 1067 CD2 LEU A 67 57.887 -0.342 -2.315 1.00 0.00 C ATOM 0 H LEU A 67 56.924 -3.331 -5.281 1.00 0.00 H new ATOM 0 HA LEU A 67 56.707 -0.534 -6.206 1.00 0.00 H new ATOM 0 HB2 LEU A 67 58.478 -2.036 -4.254 1.00 0.00 H new ATOM 0 HB3 LEU A 67 58.985 -0.489 -4.903 1.00 0.00 H new ATOM 0 HG LEU A 67 57.016 0.629 -4.035 1.00 0.00 H new ATOM 0 HD11 LEU A 67 55.233 -0.615 -2.843 1.00 0.00 H new ATOM 0 HD12 LEU A 67 55.382 -1.165 -4.529 1.00 0.00 H new ATOM 0 HD13 LEU A 67 56.059 -2.148 -3.209 1.00 0.00 H new ATOM 0 HD21 LEU A 67 57.241 0.169 -1.601 1.00 0.00 H new ATOM 0 HD22 LEU A 67 58.075 -1.359 -1.970 1.00 0.00 H new ATOM 0 HD23 LEU A 67 58.832 0.194 -2.398 1.00 0.00 H new ATOM 1079 N HIS A 68 58.490 -0.618 -7.970 1.00 0.00 N ATOM 1080 CA HIS A 68 59.389 -0.737 -9.114 1.00 0.00 C ATOM 1081 C HIS A 68 60.833 -0.462 -8.702 1.00 0.00 C ATOM 1082 O HIS A 68 61.114 0.490 -7.976 1.00 0.00 O ATOM 1083 CB HIS A 68 58.970 0.248 -10.211 1.00 0.00 C ATOM 1084 CG HIS A 68 57.479 0.450 -10.167 1.00 0.00 C ATOM 1085 ND1 HIS A 68 56.893 1.668 -10.467 1.00 0.00 N ATOM 1086 CD2 HIS A 68 56.446 -0.397 -9.854 1.00 0.00 C ATOM 1087 CE1 HIS A 68 55.563 1.524 -10.327 1.00 0.00 C ATOM 1088 NE2 HIS A 68 55.236 0.284 -9.954 1.00 0.00 N ATOM 0 H HIS A 68 58.026 0.286 -7.886 1.00 0.00 H new ATOM 0 HA HIS A 68 59.325 -1.756 -9.495 1.00 0.00 H new ATOM 0 HB2 HIS A 68 59.480 1.201 -10.072 1.00 0.00 H new ATOM 0 HB3 HIS A 68 59.267 -0.133 -11.188 1.00 0.00 H new ATOM 0 HD2 HIS A 68 56.555 -1.434 -9.573 1.00 0.00 H new ATOM 0 HE1 HIS A 68 54.847 2.315 -10.496 1.00 0.00 H new ATOM 0 HE2 HIS A 68 54.301 -0.085 -9.780 1.00 0.00 H new ATOM 1096 N LEU A 69 61.744 -1.307 -9.181 1.00 0.00 N ATOM 1097 CA LEU A 69 63.163 -1.155 -8.869 1.00 0.00 C ATOM 1098 C LEU A 69 63.935 -0.760 -10.121 1.00 0.00 C ATOM 1099 O LEU A 69 63.824 -1.413 -11.159 1.00 0.00 O ATOM 1100 CB LEU A 69 63.730 -2.470 -8.334 1.00 0.00 C ATOM 1101 CG LEU A 69 62.934 -2.931 -7.108 1.00 0.00 C ATOM 1102 CD1 LEU A 69 63.319 -4.379 -6.769 1.00 0.00 C ATOM 1103 CD2 LEU A 69 63.248 -2.020 -5.913 1.00 0.00 C ATOM 0 H LEU A 69 61.526 -2.100 -9.784 1.00 0.00 H new ATOM 0 HA LEU A 69 63.266 -0.377 -8.112 1.00 0.00 H new ATOM 0 HB2 LEU A 69 63.690 -3.234 -9.110 1.00 0.00 H new ATOM 0 HB3 LEU A 69 64.779 -2.340 -8.068 1.00 0.00 H new ATOM 0 HG LEU A 69 61.867 -2.878 -7.326 1.00 0.00 H new ATOM 0 HD11 LEU A 69 62.755 -4.711 -5.897 1.00 0.00 H new ATOM 0 HD12 LEU A 69 63.090 -5.024 -7.617 1.00 0.00 H new ATOM 0 HD13 LEU A 69 64.386 -4.430 -6.552 1.00 0.00 H new ATOM 0 HD21 LEU A 69 62.680 -2.351 -5.044 1.00 0.00 H new ATOM 0 HD22 LEU A 69 64.314 -2.067 -5.690 1.00 0.00 H new ATOM 0 HD23 LEU A 69 62.973 -0.994 -6.156 1.00 0.00 H new ATOM 1115 N VAL A 70 64.718 0.308 -10.019 1.00 0.00 N ATOM 1116 CA VAL A 70 65.506 0.778 -11.156 1.00 0.00 C ATOM 1117 C VAL A 70 66.993 0.765 -10.822 1.00 0.00 C ATOM 1118 O VAL A 70 67.384 0.856 -9.659 1.00 0.00 O ATOM 1119 CB VAL A 70 65.079 2.195 -11.537 1.00 0.00 C ATOM 1120 CG1 VAL A 70 65.715 2.580 -12.876 1.00 0.00 C ATOM 1121 CG2 VAL A 70 63.554 2.250 -11.665 1.00 0.00 C ATOM 0 H VAL A 70 64.825 0.862 -9.169 1.00 0.00 H new ATOM 0 HA VAL A 70 65.330 0.107 -11.997 1.00 0.00 H new ATOM 0 HB VAL A 70 65.407 2.892 -10.766 1.00 0.00 H new ATOM 0 HG11 VAL A 70 65.410 3.591 -13.147 1.00 0.00 H new ATOM 0 HG12 VAL A 70 66.801 2.540 -12.788 1.00 0.00 H new ATOM 0 HG13 VAL A 70 65.388 1.883 -13.648 1.00 0.00 H new ATOM 0 HG21 VAL A 70 63.248 3.260 -11.937 1.00 0.00 H new ATOM 0 HG22 VAL A 70 63.228 1.552 -12.436 1.00 0.00 H new ATOM 0 HG23 VAL A 70 63.099 1.977 -10.713 1.00 0.00 H new ATOM 1131 N LEU A 71 67.816 0.649 -11.858 1.00 0.00 N ATOM 1132 CA LEU A 71 69.262 0.624 -11.684 1.00 0.00 C ATOM 1133 C LEU A 71 69.946 1.235 -12.903 1.00 0.00 C ATOM 1134 O LEU A 71 69.787 0.748 -14.022 1.00 0.00 O ATOM 1135 CB LEU A 71 69.740 -0.819 -11.496 1.00 0.00 C ATOM 1136 CG LEU A 71 71.190 -0.823 -10.990 1.00 0.00 C ATOM 1137 CD1 LEU A 71 71.207 -0.746 -9.460 1.00 0.00 C ATOM 1138 CD2 LEU A 71 71.883 -2.114 -11.435 1.00 0.00 C ATOM 0 H LEU A 71 67.506 0.571 -12.827 1.00 0.00 H new ATOM 0 HA LEU A 71 69.520 1.207 -10.800 1.00 0.00 H new ATOM 0 HB2 LEU A 71 69.095 -1.336 -10.785 1.00 0.00 H new ATOM 0 HB3 LEU A 71 69.673 -1.360 -12.440 1.00 0.00 H new ATOM 0 HG LEU A 71 71.714 0.039 -11.403 1.00 0.00 H new ATOM 0 HD11 LEU A 71 72.238 -0.749 -9.107 1.00 0.00 H new ATOM 0 HD12 LEU A 71 70.716 0.172 -9.136 1.00 0.00 H new ATOM 0 HD13 LEU A 71 70.679 -1.605 -9.047 1.00 0.00 H new ATOM 0 HD21 LEU A 71 72.912 -2.117 -11.076 1.00 0.00 H new ATOM 0 HD22 LEU A 71 71.352 -2.972 -11.023 1.00 0.00 H new ATOM 0 HD23 LEU A 71 71.878 -2.173 -12.523 1.00 0.00 H new ATOM 1150 N ARG A 72 70.699 2.307 -12.682 1.00 0.00 N ATOM 1151 CA ARG A 72 71.391 2.975 -13.777 1.00 0.00 C ATOM 1152 C ARG A 72 70.459 3.141 -14.973 1.00 0.00 C ATOM 1153 O ARG A 72 69.467 3.835 -14.834 1.00 0.00 O ATOM 1154 CB ARG A 72 72.623 2.163 -14.194 1.00 0.00 C ATOM 1155 CG ARG A 72 73.654 2.146 -13.059 1.00 0.00 C ATOM 1156 CD ARG A 72 74.048 3.577 -12.673 1.00 0.00 C ATOM 1157 NE ARG A 72 73.998 4.455 -13.838 1.00 0.00 N ATOM 1158 CZ ARG A 72 74.365 5.728 -13.755 1.00 0.00 C ATOM 1159 NH1 ARG A 72 74.283 6.359 -12.614 1.00 0.00 N ATOM 1160 NH2 ARG A 72 74.810 6.346 -14.812 1.00 0.00 N ATOM 1161 OXT ARG A 72 70.752 2.570 -16.011 1.00 0.00 O ATOM 0 H ARG A 72 70.845 2.728 -11.765 1.00 0.00 H new ATOM 0 HA ARG A 72 71.708 3.960 -13.435 1.00 0.00 H new ATOM 0 HB2 ARG A 72 72.329 1.144 -14.443 1.00 0.00 H new ATOM 0 HB3 ARG A 72 73.066 2.595 -15.091 1.00 0.00 H new ATOM 0 HG2 ARG A 72 73.242 1.629 -12.192 1.00 0.00 H new ATOM 0 HG3 ARG A 72 74.538 1.590 -13.371 1.00 0.00 H new ATOM 0 HD2 ARG A 72 73.375 3.950 -11.901 1.00 0.00 H new ATOM 0 HD3 ARG A 72 75.053 3.582 -12.250 1.00 0.00 H new ATOM 0 HE ARG A 72 73.675 4.084 -14.732 1.00 0.00 H new ATOM 0 HH11 ARG A 72 73.937 5.873 -11.786 1.00 0.00 H new ATOM 0 HH12 ARG A 72 74.565 7.337 -12.551 1.00 0.00 H new ATOM 0 HH21 ARG A 72 74.876 5.852 -15.702 1.00 0.00 H new ATOM 0 HH22 ARG A 72 75.092 7.324 -14.750 1.00 0.00 H new TER 1175 ARG A 72