USER MOD reduce.3.24.130724 H: found=0, std=0, add=654, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 653 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 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -170:sc= 0 (180deg=-0.106) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -4.73! C(o=-4.7!,f=-10!) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.0833 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= -0.0148 K(o=-0.015,f=-1.9!) USER MOD Single : A 12 LYS NZ :NH3+ 155:sc= -0.0773 (180deg=-0.565) USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 HIS : no HD1:sc= -0.0166 X(o=-0.017,f=0) USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 MET CE :methyl -142:sc= 0 (180deg=-0.887) USER MOD Single : A 28 GLN : amide:sc= -0.191 K(o=-0.19,f=-1.6) USER MOD Single : A 38 ASN : amide:sc= -7.25! C(o=-7.3!,f=-12!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= -2.97! C(o=-3!,f=-9.9!) USER MOD Single : A 48 SER OG : rot 25:sc= 0.0482 USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot -67:sc= 1.14 USER MOD Single : A 59 LYS NZ :NH3+ 163:sc= -0.0503 (180deg=-0.548) USER MOD Single : A 62 GLN : amide:sc= -0.0444 K(o=-0.044,f=-1.6!) USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.934 USER MOD Single : A 71 GLN : amide:sc= -0.0692 X(o=-0.069,f=0.27) USER MOD Single : A 84 ASN : amide:sc= -0.632 K(o=-0.63,f=-1.3) USER MOD Single : A 85 SER OG : rot 104:sc= -1.69! USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 48.060 -14.063 13.961 1.00 0.00 N ATOM 2 CA MET A 1 48.034 -12.812 14.770 1.00 0.00 C ATOM 3 C MET A 1 49.458 -12.301 14.959 1.00 0.00 C ATOM 4 O MET A 1 49.719 -11.103 14.846 1.00 0.00 O ATOM 5 CB MET A 1 47.400 -13.102 16.133 1.00 0.00 C ATOM 6 CG MET A 1 47.046 -11.782 16.822 1.00 0.00 C ATOM 7 SD MET A 1 46.255 -12.127 18.414 1.00 0.00 S ATOM 8 CE MET A 1 45.889 -10.412 18.861 1.00 0.00 C ATOM 0 H1 MET A 1 47.090 -14.320 13.688 1.00 0.00 H new ATOM 0 H2 MET A 1 48.632 -13.912 13.106 1.00 0.00 H new ATOM 0 H3 MET A 1 48.476 -14.832 14.524 1.00 0.00 H new ATOM 0 HA MET A 1 47.446 -12.053 14.254 1.00 0.00 H new ATOM 0 HB2 MET A 1 46.505 -13.711 16.007 1.00 0.00 H new ATOM 0 HB3 MET A 1 48.090 -13.674 16.753 1.00 0.00 H new ATOM 0 HG2 MET A 1 47.945 -11.185 16.972 1.00 0.00 H new ATOM 0 HG3 MET A 1 46.377 -11.197 16.190 1.00 0.00 H new ATOM 0 HE1 MET A 1 45.389 -10.387 19.829 1.00 0.00 H new ATOM 0 HE2 MET A 1 46.818 -9.845 18.917 1.00 0.00 H new ATOM 0 HE3 MET A 1 45.239 -9.970 18.106 1.00 0.00 H new ATOM 20 N THR A 2 50.377 -13.217 15.244 1.00 0.00 N ATOM 21 CA THR A 2 51.774 -12.849 15.444 1.00 0.00 C ATOM 22 C THR A 2 52.690 -13.756 14.630 1.00 0.00 C ATOM 23 O THR A 2 52.516 -14.974 14.612 1.00 0.00 O ATOM 24 CB THR A 2 52.135 -12.955 16.928 1.00 0.00 C ATOM 25 OG1 THR A 2 51.044 -12.493 17.713 1.00 0.00 O ATOM 26 CG2 THR A 2 53.371 -12.102 17.217 1.00 0.00 C ATOM 0 H THR A 2 50.182 -14.213 15.341 1.00 0.00 H new ATOM 0 HA THR A 2 51.910 -11.821 15.109 1.00 0.00 H new ATOM 0 HB THR A 2 52.348 -13.995 17.177 1.00 0.00 H new ATOM 0 HG1 THR A 2 51.273 -12.562 18.663 1.00 0.00 H new ATOM 0 HG21 THR A 2 53.627 -12.178 18.274 1.00 0.00 H new ATOM 0 HG22 THR A 2 54.207 -12.457 16.615 1.00 0.00 H new ATOM 0 HG23 THR A 2 53.161 -11.062 16.969 1.00 0.00 H new ATOM 34 N VAL A 3 53.667 -13.154 13.959 1.00 0.00 N ATOM 35 CA VAL A 3 54.606 -13.919 13.146 1.00 0.00 C ATOM 36 C VAL A 3 56.042 -13.533 13.484 1.00 0.00 C ATOM 37 O VAL A 3 56.482 -12.422 13.192 1.00 0.00 O ATOM 38 CB VAL A 3 54.341 -13.662 11.662 1.00 0.00 C ATOM 39 CG1 VAL A 3 55.416 -14.356 10.824 1.00 0.00 C ATOM 40 CG2 VAL A 3 52.965 -14.216 11.287 1.00 0.00 C ATOM 0 H VAL A 3 53.829 -12.147 13.962 1.00 0.00 H new ATOM 0 HA VAL A 3 54.466 -14.979 13.361 1.00 0.00 H new ATOM 0 HB VAL A 3 54.366 -12.590 11.469 1.00 0.00 H new ATOM 0 HG11 VAL A 3 55.227 -14.173 9.766 1.00 0.00 H new ATOM 0 HG12 VAL A 3 56.396 -13.962 11.091 1.00 0.00 H new ATOM 0 HG13 VAL A 3 55.391 -15.429 11.017 1.00 0.00 H new ATOM 0 HG21 VAL A 3 52.775 -14.033 10.229 1.00 0.00 H new ATOM 0 HG22 VAL A 3 52.940 -15.288 11.480 1.00 0.00 H new ATOM 0 HG23 VAL A 3 52.199 -13.721 11.884 1.00 0.00 H new ATOM 50 N LYS A 4 56.768 -14.460 14.101 1.00 0.00 N ATOM 51 CA LYS A 4 58.155 -14.205 14.475 1.00 0.00 C ATOM 52 C LYS A 4 59.102 -15.058 13.635 1.00 0.00 C ATOM 53 O LYS A 4 58.739 -16.143 13.182 1.00 0.00 O ATOM 54 CB LYS A 4 58.362 -14.518 15.958 1.00 0.00 C ATOM 55 CG LYS A 4 57.207 -13.930 16.769 1.00 0.00 C ATOM 56 CD LYS A 4 56.040 -14.920 16.790 1.00 0.00 C ATOM 57 CE LYS A 4 56.132 -15.790 18.046 1.00 0.00 C ATOM 58 NZ LYS A 4 55.011 -16.771 18.053 1.00 0.00 N ATOM 0 H LYS A 4 56.423 -15.387 14.351 1.00 0.00 H new ATOM 0 HA LYS A 4 58.374 -13.153 14.292 1.00 0.00 H new ATOM 0 HB2 LYS A 4 58.415 -15.596 16.109 1.00 0.00 H new ATOM 0 HB3 LYS A 4 59.310 -14.101 16.300 1.00 0.00 H new ATOM 0 HG2 LYS A 4 57.535 -13.717 17.786 1.00 0.00 H new ATOM 0 HG3 LYS A 4 56.887 -12.984 16.332 1.00 0.00 H new ATOM 0 HD2 LYS A 4 55.092 -14.382 16.776 1.00 0.00 H new ATOM 0 HD3 LYS A 4 56.064 -15.546 15.898 1.00 0.00 H new ATOM 0 HE2 LYS A 4 57.088 -16.313 18.070 1.00 0.00 H new ATOM 0 HE3 LYS A 4 56.088 -15.165 18.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 55.073 -17.363 18.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 54.104 -16.262 18.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 55.072 -17.374 17.208 1.00 0.00 H new ATOM 72 N GLN A 5 60.316 -14.558 13.433 1.00 0.00 N ATOM 73 CA GLN A 5 61.309 -15.281 12.646 1.00 0.00 C ATOM 74 C GLN A 5 62.715 -14.794 12.980 1.00 0.00 C ATOM 75 O GLN A 5 62.968 -13.591 13.041 1.00 0.00 O ATOM 76 CB GLN A 5 61.038 -15.081 11.154 1.00 0.00 C ATOM 77 CG GLN A 5 62.179 -15.697 10.341 1.00 0.00 C ATOM 78 CD GLN A 5 61.916 -15.508 8.850 1.00 0.00 C ATOM 79 OE1 GLN A 5 60.826 -15.093 8.459 1.00 0.00 O ATOM 80 NE2 GLN A 5 62.858 -15.791 7.991 1.00 0.00 N ATOM 0 H GLN A 5 60.635 -13.661 13.800 1.00 0.00 H new ATOM 0 HA GLN A 5 61.237 -16.341 12.889 1.00 0.00 H new ATOM 0 HB2 GLN A 5 60.090 -15.545 10.880 1.00 0.00 H new ATOM 0 HB3 GLN A 5 60.949 -14.018 10.929 1.00 0.00 H new ATOM 0 HG2 GLN A 5 63.125 -15.230 10.614 1.00 0.00 H new ATOM 0 HG3 GLN A 5 62.269 -16.759 10.571 1.00 0.00 H new ATOM 0 HE21 GLN A 5 63.761 -16.135 8.319 1.00 0.00 H new ATOM 0 HE22 GLN A 5 62.691 -15.668 6.992 1.00 0.00 H new ATOM 89 N THR A 6 63.626 -15.737 13.198 1.00 0.00 N ATOM 90 CA THR A 6 65.005 -15.391 13.527 1.00 0.00 C ATOM 91 C THR A 6 65.782 -15.025 12.267 1.00 0.00 C ATOM 92 O THR A 6 65.643 -15.672 11.228 1.00 0.00 O ATOM 93 CB THR A 6 65.687 -16.570 14.225 1.00 0.00 C ATOM 94 OG1 THR A 6 64.729 -17.591 14.470 1.00 0.00 O ATOM 95 CG2 THR A 6 66.287 -16.101 15.552 1.00 0.00 C ATOM 0 H THR A 6 63.437 -16.738 13.154 1.00 0.00 H new ATOM 0 HA THR A 6 64.994 -14.530 14.195 1.00 0.00 H new ATOM 0 HB THR A 6 66.481 -16.961 13.588 1.00 0.00 H new ATOM 0 HG1 THR A 6 65.164 -18.348 14.915 1.00 0.00 H new ATOM 0 HG21 THR A 6 66.773 -16.941 16.049 1.00 0.00 H new ATOM 0 HG22 THR A 6 67.021 -15.318 15.363 1.00 0.00 H new ATOM 0 HG23 THR A 6 65.495 -15.710 16.191 1.00 0.00 H new ATOM 103 N VAL A 7 66.603 -13.984 12.367 1.00 0.00 N ATOM 104 CA VAL A 7 67.400 -13.540 11.230 1.00 0.00 C ATOM 105 C VAL A 7 68.814 -13.182 11.677 1.00 0.00 C ATOM 106 O VAL A 7 69.002 -12.407 12.615 1.00 0.00 O ATOM 107 CB VAL A 7 66.746 -12.322 10.576 1.00 0.00 C ATOM 108 CG1 VAL A 7 67.607 -11.845 9.405 1.00 0.00 C ATOM 109 CG2 VAL A 7 65.356 -12.706 10.062 1.00 0.00 C ATOM 0 H VAL A 7 66.733 -13.436 13.217 1.00 0.00 H new ATOM 0 HA VAL A 7 67.453 -14.354 10.507 1.00 0.00 H new ATOM 0 HB VAL A 7 66.656 -11.521 11.310 1.00 0.00 H new ATOM 0 HG11 VAL A 7 67.140 -10.977 8.940 1.00 0.00 H new ATOM 0 HG12 VAL A 7 68.598 -11.572 9.769 1.00 0.00 H new ATOM 0 HG13 VAL A 7 67.698 -12.645 8.671 1.00 0.00 H new ATOM 0 HG21 VAL A 7 64.888 -11.839 9.595 1.00 0.00 H new ATOM 0 HG22 VAL A 7 65.448 -13.507 9.329 1.00 0.00 H new ATOM 0 HG23 VAL A 7 64.741 -13.046 10.895 1.00 0.00 H new ATOM 119 N GLU A 8 69.806 -13.752 11.001 1.00 0.00 N ATOM 120 CA GLU A 8 71.200 -13.488 11.339 1.00 0.00 C ATOM 121 C GLU A 8 71.591 -12.068 10.940 1.00 0.00 C ATOM 122 O GLU A 8 71.331 -11.634 9.818 1.00 0.00 O ATOM 123 CB GLU A 8 72.110 -14.489 10.624 1.00 0.00 C ATOM 124 CG GLU A 8 71.770 -15.908 11.086 1.00 0.00 C ATOM 125 CD GLU A 8 72.599 -16.923 10.307 1.00 0.00 C ATOM 126 OE1 GLU A 8 73.274 -16.516 9.375 1.00 0.00 O ATOM 127 OE2 GLU A 8 72.547 -18.091 10.652 1.00 0.00 O ATOM 0 H GLU A 8 69.672 -14.396 10.221 1.00 0.00 H new ATOM 0 HA GLU A 8 71.318 -13.595 12.417 1.00 0.00 H new ATOM 0 HB2 GLU A 8 71.982 -14.406 9.545 1.00 0.00 H new ATOM 0 HB3 GLU A 8 73.155 -14.265 10.840 1.00 0.00 H new ATOM 0 HG2 GLU A 8 71.966 -16.009 12.153 1.00 0.00 H new ATOM 0 HG3 GLU A 8 70.708 -16.103 10.937 1.00 0.00 H new ATOM 134 N ILE A 9 72.217 -11.351 11.867 1.00 0.00 N ATOM 135 CA ILE A 9 72.641 -9.982 11.602 1.00 0.00 C ATOM 136 C ILE A 9 73.991 -9.968 10.891 1.00 0.00 C ATOM 137 O ILE A 9 74.990 -10.445 11.428 1.00 0.00 O ATOM 138 CB ILE A 9 72.747 -9.204 12.915 1.00 0.00 C ATOM 139 CG1 ILE A 9 71.350 -8.762 13.358 1.00 0.00 C ATOM 140 CG2 ILE A 9 73.628 -7.971 12.710 1.00 0.00 C ATOM 141 CD1 ILE A 9 70.654 -8.034 12.206 1.00 0.00 C ATOM 0 H ILE A 9 72.441 -11.692 12.802 1.00 0.00 H new ATOM 0 HA ILE A 9 71.898 -9.510 10.959 1.00 0.00 H new ATOM 0 HB ILE A 9 73.189 -9.842 13.680 1.00 0.00 H new ATOM 0 HG12 ILE A 9 70.763 -9.628 13.662 1.00 0.00 H new ATOM 0 HG13 ILE A 9 71.423 -8.106 14.225 1.00 0.00 H new ATOM 0 HG21 ILE A 9 73.703 -7.418 13.646 1.00 0.00 H new ATOM 0 HG22 ILE A 9 74.623 -8.283 12.393 1.00 0.00 H new ATOM 0 HG23 ILE A 9 73.187 -7.332 11.945 1.00 0.00 H new ATOM 0 HD11 ILE A 9 69.659 -7.720 12.522 1.00 0.00 H new ATOM 0 HD12 ILE A 9 71.238 -7.159 11.923 1.00 0.00 H new ATOM 0 HD13 ILE A 9 70.568 -8.705 11.351 1.00 0.00 H new ATOM 153 N THR A 10 74.013 -9.420 9.681 1.00 0.00 N ATOM 154 CA THR A 10 75.247 -9.353 8.907 1.00 0.00 C ATOM 155 C THR A 10 75.420 -7.969 8.290 1.00 0.00 C ATOM 156 O THR A 10 74.780 -7.637 7.293 1.00 0.00 O ATOM 157 CB THR A 10 75.226 -10.407 7.798 1.00 0.00 C ATOM 158 OG1 THR A 10 76.527 -10.536 7.243 1.00 0.00 O ATOM 159 CG2 THR A 10 74.243 -9.983 6.706 1.00 0.00 C ATOM 0 H THR A 10 73.198 -9.019 9.218 1.00 0.00 H new ATOM 0 HA THR A 10 76.084 -9.547 9.578 1.00 0.00 H new ATOM 0 HB THR A 10 74.912 -11.364 8.214 1.00 0.00 H new ATOM 0 HG1 THR A 10 76.514 -11.212 6.534 1.00 0.00 H new ATOM 0 HG21 THR A 10 74.229 -10.735 5.917 1.00 0.00 H new ATOM 0 HG22 THR A 10 73.245 -9.887 7.133 1.00 0.00 H new ATOM 0 HG23 THR A 10 74.553 -9.025 6.289 1.00 0.00 H new ATOM 167 N ASN A 11 76.293 -7.165 8.891 1.00 0.00 N ATOM 168 CA ASN A 11 76.546 -5.818 8.391 1.00 0.00 C ATOM 169 C ASN A 11 75.503 -4.842 8.926 1.00 0.00 C ATOM 170 O ASN A 11 75.212 -3.823 8.299 1.00 0.00 O ATOM 171 CB ASN A 11 76.514 -5.814 6.862 1.00 0.00 C ATOM 172 CG ASN A 11 77.733 -6.548 6.313 1.00 0.00 C ATOM 173 OD1 ASN A 11 78.708 -6.759 7.036 1.00 0.00 O ATOM 174 ND2 ASN A 11 77.737 -6.951 5.072 1.00 0.00 N ATOM 0 H ASN A 11 76.833 -7.420 9.718 1.00 0.00 H new ATOM 0 HA ASN A 11 77.531 -5.503 8.735 1.00 0.00 H new ATOM 0 HB2 ASN A 11 75.601 -6.293 6.508 1.00 0.00 H new ATOM 0 HB3 ASN A 11 76.500 -4.788 6.493 1.00 0.00 H new ATOM 0 HD21 ASN A 11 78.549 -7.442 4.698 1.00 0.00 H new ATOM 0 HD22 ASN A 11 76.928 -6.775 4.476 1.00 0.00 H new ATOM 181 N LYS A 12 74.944 -5.159 10.090 1.00 0.00 N ATOM 182 CA LYS A 12 73.935 -4.301 10.701 1.00 0.00 C ATOM 183 C LYS A 12 72.540 -4.682 10.216 1.00 0.00 C ATOM 184 O LYS A 12 72.340 -5.759 9.653 1.00 0.00 O ATOM 185 CB LYS A 12 74.215 -2.836 10.353 1.00 0.00 C ATOM 186 CG LYS A 12 75.702 -2.540 10.553 1.00 0.00 C ATOM 187 CD LYS A 12 75.877 -1.094 11.018 1.00 0.00 C ATOM 188 CE LYS A 12 77.356 -0.711 10.954 1.00 0.00 C ATOM 189 NZ LYS A 12 77.787 -0.630 9.530 1.00 0.00 N ATOM 0 H LYS A 12 75.170 -5.997 10.625 1.00 0.00 H new ATOM 0 HA LYS A 12 73.980 -4.434 11.782 1.00 0.00 H new ATOM 0 HB2 LYS A 12 73.929 -2.635 9.321 1.00 0.00 H new ATOM 0 HB3 LYS A 12 73.615 -2.180 10.983 1.00 0.00 H new ATOM 0 HG2 LYS A 12 76.124 -3.224 11.290 1.00 0.00 H new ATOM 0 HG3 LYS A 12 76.244 -2.702 9.621 1.00 0.00 H new ATOM 0 HD2 LYS A 12 75.290 -0.425 10.388 1.00 0.00 H new ATOM 0 HD3 LYS A 12 75.505 -0.981 12.036 1.00 0.00 H new ATOM 0 HE2 LYS A 12 77.516 0.247 11.449 1.00 0.00 H new ATOM 0 HE3 LYS A 12 77.957 -1.449 11.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 78.604 0.009 9.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 78.054 -1.577 9.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 77.004 -0.265 8.951 1.00 0.00 H new ATOM 203 N LEU A 13 71.578 -3.793 10.440 1.00 0.00 N ATOM 204 CA LEU A 13 70.203 -4.047 10.022 1.00 0.00 C ATOM 205 C LEU A 13 70.067 -3.909 8.510 1.00 0.00 C ATOM 206 O LEU A 13 68.989 -3.607 7.999 1.00 0.00 O ATOM 207 CB LEU A 13 69.258 -3.063 10.714 1.00 0.00 C ATOM 208 CG LEU A 13 69.581 -3.007 12.207 1.00 0.00 C ATOM 209 CD1 LEU A 13 68.582 -2.088 12.913 1.00 0.00 C ATOM 210 CD2 LEU A 13 69.485 -4.414 12.802 1.00 0.00 C ATOM 0 H LEU A 13 71.723 -2.897 10.905 1.00 0.00 H new ATOM 0 HA LEU A 13 69.939 -5.066 10.306 1.00 0.00 H new ATOM 0 HB2 LEU A 13 69.361 -2.072 10.272 1.00 0.00 H new ATOM 0 HB3 LEU A 13 68.223 -3.372 10.567 1.00 0.00 H new ATOM 0 HG LEU A 13 70.591 -2.620 12.345 1.00 0.00 H new ATOM 0 HD11 LEU A 13 68.813 -2.049 13.977 1.00 0.00 H new ATOM 0 HD12 LEU A 13 68.648 -1.086 12.490 1.00 0.00 H new ATOM 0 HD13 LEU A 13 67.572 -2.474 12.775 1.00 0.00 H new ATOM 0 HD21 LEU A 13 69.715 -4.375 13.867 1.00 0.00 H new ATOM 0 HD22 LEU A 13 68.475 -4.800 12.663 1.00 0.00 H new ATOM 0 HD23 LEU A 13 70.196 -5.070 12.301 1.00 0.00 H new ATOM 222 N GLY A 14 71.167 -4.134 7.798 1.00 0.00 N ATOM 223 CA GLY A 14 71.157 -4.033 6.343 1.00 0.00 C ATOM 224 C GLY A 14 72.172 -3.002 5.860 1.00 0.00 C ATOM 225 O GLY A 14 73.380 -3.196 5.995 1.00 0.00 O ATOM 0 H GLY A 14 72.070 -4.385 8.201 1.00 0.00 H new ATOM 0 HA2 GLY A 14 71.385 -5.005 5.906 1.00 0.00 H new ATOM 0 HA3 GLY A 14 70.160 -3.755 6.001 1.00 0.00 H new ATOM 229 N MET A 15 71.673 -1.907 5.298 1.00 0.00 N ATOM 230 CA MET A 15 72.546 -0.851 4.797 1.00 0.00 C ATOM 231 C MET A 15 73.128 -0.042 5.952 1.00 0.00 C ATOM 232 O MET A 15 73.362 -0.571 7.038 1.00 0.00 O ATOM 233 CB MET A 15 71.764 0.076 3.864 1.00 0.00 C ATOM 234 CG MET A 15 71.056 -0.757 2.794 1.00 0.00 C ATOM 235 SD MET A 15 72.288 -1.629 1.795 1.00 0.00 S ATOM 236 CE MET A 15 71.133 -2.676 0.875 1.00 0.00 C ATOM 0 H MET A 15 70.676 -1.727 5.178 1.00 0.00 H new ATOM 0 HA MET A 15 73.364 -1.314 4.245 1.00 0.00 H new ATOM 0 HB2 MET A 15 71.035 0.652 4.434 1.00 0.00 H new ATOM 0 HB3 MET A 15 72.439 0.792 3.395 1.00 0.00 H new ATOM 0 HG2 MET A 15 70.380 -1.472 3.263 1.00 0.00 H new ATOM 0 HG3 MET A 15 70.448 -0.112 2.159 1.00 0.00 H new ATOM 0 HE1 MET A 15 71.688 -3.311 0.184 1.00 0.00 H new ATOM 0 HE2 MET A 15 70.574 -3.300 1.572 1.00 0.00 H new ATOM 0 HE3 MET A 15 70.440 -2.048 0.314 1.00 0.00 H new ATOM 246 N HIS A 16 73.359 1.244 5.708 1.00 0.00 N ATOM 247 CA HIS A 16 73.915 2.118 6.734 1.00 0.00 C ATOM 248 C HIS A 16 72.950 2.247 7.909 1.00 0.00 C ATOM 249 O HIS A 16 73.370 2.433 9.051 1.00 0.00 O ATOM 250 CB HIS A 16 74.193 3.503 6.146 1.00 0.00 C ATOM 251 CG HIS A 16 74.587 4.447 7.248 1.00 0.00 C ATOM 252 ND1 HIS A 16 75.872 4.484 7.766 1.00 0.00 N ATOM 253 CD2 HIS A 16 73.876 5.395 7.942 1.00 0.00 C ATOM 254 CE1 HIS A 16 75.896 5.425 8.727 1.00 0.00 C ATOM 255 NE2 HIS A 16 74.704 6.011 8.875 1.00 0.00 N ATOM 0 H HIS A 16 73.171 1.701 4.816 1.00 0.00 H new ATOM 0 HA HIS A 16 74.848 1.681 7.090 1.00 0.00 H new ATOM 0 HB2 HIS A 16 74.989 3.441 5.404 1.00 0.00 H new ATOM 0 HB3 HIS A 16 73.307 3.876 5.633 1.00 0.00 H new ATOM 0 HD2 HIS A 16 72.833 5.627 7.787 1.00 0.00 H new ATOM 0 HE1 HIS A 16 76.771 5.676 9.308 1.00 0.00 H new ATOM 0 HE2 HIS A 16 74.455 6.751 9.531 1.00 0.00 H new ATOM 263 N ALA A 17 71.656 2.149 7.621 1.00 0.00 N ATOM 264 CA ALA A 17 70.642 2.257 8.663 1.00 0.00 C ATOM 265 C ALA A 17 69.262 2.469 8.049 1.00 0.00 C ATOM 266 O ALA A 17 68.280 2.673 8.762 1.00 0.00 O ATOM 267 CB ALA A 17 70.972 3.425 9.594 1.00 0.00 C ATOM 0 H ALA A 17 71.287 1.996 6.682 1.00 0.00 H new ATOM 0 HA ALA A 17 70.635 1.328 9.233 1.00 0.00 H new ATOM 0 HB1 ALA A 17 70.210 3.499 10.370 1.00 0.00 H new ATOM 0 HB2 ALA A 17 71.945 3.258 10.056 1.00 0.00 H new ATOM 0 HB3 ALA A 17 70.997 4.352 9.020 1.00 0.00 H new ATOM 273 N ARG A 18 69.196 2.418 6.723 1.00 0.00 N ATOM 274 CA ARG A 18 67.929 2.605 6.024 1.00 0.00 C ATOM 275 C ARG A 18 66.893 1.597 6.512 1.00 0.00 C ATOM 276 O ARG A 18 65.759 1.958 6.823 1.00 0.00 O ATOM 277 CB ARG A 18 68.135 2.439 4.516 1.00 0.00 C ATOM 278 CG ARG A 18 68.051 3.807 3.836 1.00 0.00 C ATOM 279 CD ARG A 18 68.460 3.674 2.368 1.00 0.00 C ATOM 280 NE ARG A 18 69.859 3.273 2.269 1.00 0.00 N ATOM 281 CZ ARG A 18 70.428 3.050 1.089 1.00 0.00 C ATOM 282 NH1 ARG A 18 71.681 2.692 1.026 1.00 0.00 N ATOM 283 NH2 ARG A 18 69.733 3.190 -0.007 1.00 0.00 N ATOM 0 H ARG A 18 69.997 2.250 6.115 1.00 0.00 H new ATOM 0 HA ARG A 18 67.566 3.611 6.233 1.00 0.00 H new ATOM 0 HB2 ARG A 18 69.105 1.982 4.319 1.00 0.00 H new ATOM 0 HB3 ARG A 18 67.378 1.770 4.106 1.00 0.00 H new ATOM 0 HG2 ARG A 18 67.036 4.199 3.908 1.00 0.00 H new ATOM 0 HG3 ARG A 18 68.704 4.518 4.343 1.00 0.00 H new ATOM 0 HD2 ARG A 18 67.827 2.938 1.872 1.00 0.00 H new ATOM 0 HD3 ARG A 18 68.309 4.623 1.853 1.00 0.00 H new ATOM 0 HE ARG A 18 70.410 3.162 3.120 1.00 0.00 H new ATOM 0 HH11 ARG A 18 72.224 2.583 1.883 1.00 0.00 H new ATOM 0 HH12 ARG A 18 72.118 2.521 0.120 1.00 0.00 H new ATOM 0 HH21 ARG A 18 68.754 3.470 0.043 1.00 0.00 H new ATOM 0 HH22 ARG A 18 70.169 3.019 -0.913 1.00 0.00 H new ATOM 297 N PRO A 19 67.269 0.350 6.583 1.00 0.00 N ATOM 298 CA PRO A 19 66.362 -0.741 7.043 1.00 0.00 C ATOM 299 C PRO A 19 65.640 -0.380 8.339 1.00 0.00 C ATOM 300 O PRO A 19 64.413 -0.429 8.412 1.00 0.00 O ATOM 301 CB PRO A 19 67.300 -1.930 7.253 1.00 0.00 C ATOM 302 CG PRO A 19 68.473 -1.675 6.365 1.00 0.00 C ATOM 303 CD PRO A 19 68.603 -0.157 6.230 1.00 0.00 C ATOM 0 HA PRO A 19 65.568 -0.943 6.324 1.00 0.00 H new ATOM 0 HB2 PRO A 19 67.607 -2.008 8.296 1.00 0.00 H new ATOM 0 HB3 PRO A 19 66.809 -2.868 6.994 1.00 0.00 H new ATOM 0 HG2 PRO A 19 69.380 -2.104 6.790 1.00 0.00 H new ATOM 0 HG3 PRO A 19 68.327 -2.139 5.389 1.00 0.00 H new ATOM 0 HD2 PRO A 19 69.369 0.238 6.897 1.00 0.00 H new ATOM 0 HD3 PRO A 19 68.883 0.131 5.217 1.00 0.00 H new ATOM 311 N ALA A 20 66.412 -0.015 9.359 1.00 0.00 N ATOM 312 CA ALA A 20 65.835 0.354 10.646 1.00 0.00 C ATOM 313 C ALA A 20 64.964 1.598 10.506 1.00 0.00 C ATOM 314 O ALA A 20 63.874 1.672 11.074 1.00 0.00 O ATOM 315 CB ALA A 20 66.949 0.621 11.660 1.00 0.00 C ATOM 0 H ALA A 20 67.430 0.033 9.320 1.00 0.00 H new ATOM 0 HA ALA A 20 65.216 -0.472 10.995 1.00 0.00 H new ATOM 0 HB1 ALA A 20 66.510 0.896 12.619 1.00 0.00 H new ATOM 0 HB2 ALA A 20 67.553 -0.278 11.782 1.00 0.00 H new ATOM 0 HB3 ALA A 20 67.579 1.436 11.302 1.00 0.00 H new ATOM 321 N MET A 21 65.450 2.571 9.744 1.00 0.00 N ATOM 322 CA MET A 21 64.705 3.808 9.535 1.00 0.00 C ATOM 323 C MET A 21 63.461 3.546 8.691 1.00 0.00 C ATOM 324 O MET A 21 62.387 4.079 8.970 1.00 0.00 O ATOM 325 CB MET A 21 65.590 4.840 8.834 1.00 0.00 C ATOM 326 CG MET A 21 66.500 5.515 9.861 1.00 0.00 C ATOM 327 SD MET A 21 65.503 6.544 10.967 1.00 0.00 S ATOM 328 CE MET A 21 66.785 6.853 12.207 1.00 0.00 C ATOM 0 H MET A 21 66.349 2.529 9.264 1.00 0.00 H new ATOM 0 HA MET A 21 64.398 4.194 10.507 1.00 0.00 H new ATOM 0 HB2 MET A 21 66.190 4.356 8.063 1.00 0.00 H new ATOM 0 HB3 MET A 21 64.971 5.586 8.335 1.00 0.00 H new ATOM 0 HG2 MET A 21 67.039 4.762 10.435 1.00 0.00 H new ATOM 0 HG3 MET A 21 67.248 6.125 9.355 1.00 0.00 H new ATOM 0 HE1 MET A 21 66.380 7.482 13.000 1.00 0.00 H new ATOM 0 HE2 MET A 21 67.118 5.905 12.630 1.00 0.00 H new ATOM 0 HE3 MET A 21 67.630 7.358 11.739 1.00 0.00 H new ATOM 338 N LYS A 22 63.613 2.720 7.661 1.00 0.00 N ATOM 339 CA LYS A 22 62.495 2.394 6.784 1.00 0.00 C ATOM 340 C LYS A 22 61.405 1.659 7.558 1.00 0.00 C ATOM 341 O LYS A 22 60.215 1.860 7.315 1.00 0.00 O ATOM 342 CB LYS A 22 62.977 1.520 5.624 1.00 0.00 C ATOM 343 CG LYS A 22 61.866 1.398 4.580 1.00 0.00 C ATOM 344 CD LYS A 22 61.880 2.630 3.673 1.00 0.00 C ATOM 345 CE LYS A 22 60.717 2.548 2.682 1.00 0.00 C ATOM 346 NZ LYS A 22 60.798 3.690 1.726 1.00 0.00 N ATOM 0 H LYS A 22 64.493 2.267 7.414 1.00 0.00 H new ATOM 0 HA LYS A 22 62.083 3.323 6.391 1.00 0.00 H new ATOM 0 HB2 LYS A 22 63.868 1.956 5.173 1.00 0.00 H new ATOM 0 HB3 LYS A 22 63.256 0.532 5.991 1.00 0.00 H new ATOM 0 HG2 LYS A 22 62.008 0.495 3.987 1.00 0.00 H new ATOM 0 HG3 LYS A 22 60.898 1.307 5.073 1.00 0.00 H new ATOM 0 HD2 LYS A 22 61.798 3.537 4.272 1.00 0.00 H new ATOM 0 HD3 LYS A 22 62.826 2.688 3.135 1.00 0.00 H new ATOM 0 HE2 LYS A 22 60.753 1.603 2.140 1.00 0.00 H new ATOM 0 HE3 LYS A 22 59.767 2.574 3.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 60.008 3.635 1.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 60.744 4.586 2.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 61.699 3.646 1.208 1.00 0.00 H new ATOM 360 N LEU A 23 61.819 0.809 8.492 1.00 0.00 N ATOM 361 CA LEU A 23 60.869 0.050 9.296 1.00 0.00 C ATOM 362 C LEU A 23 59.794 0.972 9.863 1.00 0.00 C ATOM 363 O LEU A 23 58.603 0.664 9.802 1.00 0.00 O ATOM 364 CB LEU A 23 61.598 -0.651 10.444 1.00 0.00 C ATOM 365 CG LEU A 23 61.551 -2.166 10.231 1.00 0.00 C ATOM 366 CD1 LEU A 23 62.432 -2.856 11.273 1.00 0.00 C ATOM 367 CD2 LEU A 23 60.109 -2.655 10.379 1.00 0.00 C ATOM 0 H LEU A 23 62.799 0.629 8.710 1.00 0.00 H new ATOM 0 HA LEU A 23 60.395 -0.696 8.658 1.00 0.00 H new ATOM 0 HB2 LEU A 23 62.633 -0.312 10.492 1.00 0.00 H new ATOM 0 HB3 LEU A 23 61.133 -0.392 11.395 1.00 0.00 H new ATOM 0 HG LEU A 23 61.917 -2.404 9.232 1.00 0.00 H new ATOM 0 HD11 LEU A 23 62.398 -3.935 11.121 1.00 0.00 H new ATOM 0 HD12 LEU A 23 63.459 -2.507 11.169 1.00 0.00 H new ATOM 0 HD13 LEU A 23 62.067 -2.619 12.272 1.00 0.00 H new ATOM 0 HD21 LEU A 23 60.073 -3.734 10.228 1.00 0.00 H new ATOM 0 HD22 LEU A 23 59.745 -2.417 11.378 1.00 0.00 H new ATOM 0 HD23 LEU A 23 59.480 -2.163 9.637 1.00 0.00 H new ATOM 379 N PHE A 24 60.222 2.104 10.412 1.00 0.00 N ATOM 380 CA PHE A 24 59.286 3.065 10.987 1.00 0.00 C ATOM 381 C PHE A 24 58.218 3.446 9.967 1.00 0.00 C ATOM 382 O PHE A 24 57.044 3.587 10.307 1.00 0.00 O ATOM 383 CB PHE A 24 60.037 4.319 11.438 1.00 0.00 C ATOM 384 CG PHE A 24 60.464 4.160 12.877 1.00 0.00 C ATOM 385 CD1 PHE A 24 61.341 3.132 13.239 1.00 0.00 C ATOM 386 CD2 PHE A 24 59.981 5.042 13.851 1.00 0.00 C ATOM 387 CE1 PHE A 24 61.736 2.985 14.573 1.00 0.00 C ATOM 388 CE2 PHE A 24 60.376 4.896 15.186 1.00 0.00 C ATOM 389 CZ PHE A 24 61.254 3.867 15.548 1.00 0.00 C ATOM 0 H PHE A 24 61.203 2.378 10.471 1.00 0.00 H new ATOM 0 HA PHE A 24 58.802 2.604 11.848 1.00 0.00 H new ATOM 0 HB2 PHE A 24 60.909 4.481 10.805 1.00 0.00 H new ATOM 0 HB3 PHE A 24 59.399 5.196 11.332 1.00 0.00 H new ATOM 0 HD1 PHE A 24 61.713 2.451 12.488 1.00 0.00 H new ATOM 0 HD2 PHE A 24 59.303 5.835 13.572 1.00 0.00 H new ATOM 0 HE1 PHE A 24 62.413 2.191 14.851 1.00 0.00 H new ATOM 0 HE2 PHE A 24 60.004 5.577 15.937 1.00 0.00 H new ATOM 0 HZ PHE A 24 61.559 3.754 16.578 1.00 0.00 H new ATOM 399 N GLU A 25 58.634 3.613 8.715 1.00 0.00 N ATOM 400 CA GLU A 25 57.704 3.979 7.655 1.00 0.00 C ATOM 401 C GLU A 25 56.811 2.796 7.295 1.00 0.00 C ATOM 402 O GLU A 25 55.632 2.966 6.983 1.00 0.00 O ATOM 403 CB GLU A 25 58.476 4.434 6.414 1.00 0.00 C ATOM 404 CG GLU A 25 59.127 5.791 6.687 1.00 0.00 C ATOM 405 CD GLU A 25 59.913 6.247 5.463 1.00 0.00 C ATOM 406 OE1 GLU A 25 60.072 5.449 4.553 1.00 0.00 O ATOM 407 OE2 GLU A 25 60.348 7.386 5.453 1.00 0.00 O ATOM 0 H GLU A 25 59.602 3.501 8.412 1.00 0.00 H new ATOM 0 HA GLU A 25 57.079 4.797 8.013 1.00 0.00 H new ATOM 0 HB2 GLU A 25 59.238 3.698 6.157 1.00 0.00 H new ATOM 0 HB3 GLU A 25 57.802 4.507 5.560 1.00 0.00 H new ATOM 0 HG2 GLU A 25 58.362 6.528 6.934 1.00 0.00 H new ATOM 0 HG3 GLU A 25 59.790 5.719 7.549 1.00 0.00 H new ATOM 414 N LEU A 26 57.381 1.596 7.342 1.00 0.00 N ATOM 415 CA LEU A 26 56.627 0.390 7.021 1.00 0.00 C ATOM 416 C LEU A 26 55.485 0.194 8.011 1.00 0.00 C ATOM 417 O LEU A 26 54.360 -0.125 7.623 1.00 0.00 O ATOM 418 CB LEU A 26 57.550 -0.829 7.054 1.00 0.00 C ATOM 419 CG LEU A 26 58.606 -0.701 5.956 1.00 0.00 C ATOM 420 CD1 LEU A 26 59.444 -1.980 5.901 1.00 0.00 C ATOM 421 CD2 LEU A 26 57.914 -0.488 4.608 1.00 0.00 C ATOM 0 H LEU A 26 58.355 1.433 7.597 1.00 0.00 H new ATOM 0 HA LEU A 26 56.210 0.501 6.020 1.00 0.00 H new ATOM 0 HB2 LEU A 26 58.032 -0.907 8.029 1.00 0.00 H new ATOM 0 HB3 LEU A 26 56.970 -1.741 6.911 1.00 0.00 H new ATOM 0 HG LEU A 26 59.254 0.148 6.172 1.00 0.00 H new ATOM 0 HD11 LEU A 26 60.197 -1.888 5.118 1.00 0.00 H new ATOM 0 HD12 LEU A 26 59.936 -2.134 6.861 1.00 0.00 H new ATOM 0 HD13 LEU A 26 58.797 -2.830 5.684 1.00 0.00 H new ATOM 0 HD21 LEU A 26 58.665 -0.396 3.824 1.00 0.00 H new ATOM 0 HD22 LEU A 26 57.267 -1.338 4.393 1.00 0.00 H new ATOM 0 HD23 LEU A 26 57.316 0.423 4.646 1.00 0.00 H new ATOM 433 N MET A 27 55.780 0.387 9.294 1.00 0.00 N ATOM 434 CA MET A 27 54.770 0.229 10.332 1.00 0.00 C ATOM 435 C MET A 27 53.576 1.140 10.061 1.00 0.00 C ATOM 436 O MET A 27 52.431 0.776 10.332 1.00 0.00 O ATOM 437 CB MET A 27 55.369 0.563 11.700 1.00 0.00 C ATOM 438 CG MET A 27 56.417 -0.488 12.069 1.00 0.00 C ATOM 439 SD MET A 27 57.524 0.181 13.335 1.00 0.00 S ATOM 440 CE MET A 27 56.472 -0.170 14.764 1.00 0.00 C ATOM 0 H MET A 27 56.704 0.651 9.636 1.00 0.00 H new ATOM 0 HA MET A 27 54.431 -0.807 10.328 1.00 0.00 H new ATOM 0 HB2 MET A 27 55.824 1.553 11.678 1.00 0.00 H new ATOM 0 HB3 MET A 27 54.584 0.590 12.456 1.00 0.00 H new ATOM 0 HG2 MET A 27 55.929 -1.390 12.438 1.00 0.00 H new ATOM 0 HG3 MET A 27 56.988 -0.773 11.185 1.00 0.00 H new ATOM 0 HE1 MET A 27 56.546 0.648 15.480 1.00 0.00 H new ATOM 0 HE2 MET A 27 55.437 -0.274 14.437 1.00 0.00 H new ATOM 0 HE3 MET A 27 56.798 -1.096 15.237 1.00 0.00 H new ATOM 450 N GLN A 28 53.852 2.324 9.526 1.00 0.00 N ATOM 451 CA GLN A 28 52.792 3.280 9.222 1.00 0.00 C ATOM 452 C GLN A 28 51.998 2.827 8.002 1.00 0.00 C ATOM 453 O GLN A 28 50.768 2.875 7.998 1.00 0.00 O ATOM 454 CB GLN A 28 53.394 4.661 8.958 1.00 0.00 C ATOM 455 CG GLN A 28 54.114 5.154 10.215 1.00 0.00 C ATOM 456 CD GLN A 28 53.106 5.392 11.334 1.00 0.00 C ATOM 457 OE1 GLN A 28 51.944 5.702 11.068 1.00 0.00 O ATOM 458 NE2 GLN A 28 53.482 5.265 12.576 1.00 0.00 N ATOM 0 H GLN A 28 54.793 2.644 9.295 1.00 0.00 H new ATOM 0 HA GLN A 28 52.121 3.335 10.079 1.00 0.00 H new ATOM 0 HB2 GLN A 28 54.092 4.611 8.122 1.00 0.00 H new ATOM 0 HB3 GLN A 28 52.609 5.363 8.677 1.00 0.00 H new ATOM 0 HG2 GLN A 28 54.854 4.419 10.532 1.00 0.00 H new ATOM 0 HG3 GLN A 28 54.653 6.076 9.997 1.00 0.00 H new ATOM 0 HE21 GLN A 28 54.445 5.008 12.794 1.00 0.00 H new ATOM 0 HE22 GLN A 28 52.813 5.422 13.330 1.00 0.00 H new ATOM 467 N GLY A 29 52.708 2.387 6.968 1.00 0.00 N ATOM 468 CA GLY A 29 52.058 1.928 5.747 1.00 0.00 C ATOM 469 C GLY A 29 51.364 0.589 5.970 1.00 0.00 C ATOM 470 O GLY A 29 50.322 0.312 5.375 1.00 0.00 O ATOM 0 H GLY A 29 53.727 2.339 6.951 1.00 0.00 H new ATOM 0 HA2 GLY A 29 51.330 2.669 5.417 1.00 0.00 H new ATOM 0 HA3 GLY A 29 52.797 1.831 4.951 1.00 0.00 H new ATOM 474 N PHE A 30 51.948 -0.239 6.831 1.00 0.00 N ATOM 475 CA PHE A 30 51.375 -1.547 7.124 1.00 0.00 C ATOM 476 C PHE A 30 50.651 -1.527 8.466 1.00 0.00 C ATOM 477 O PHE A 30 51.039 -0.801 9.382 1.00 0.00 O ATOM 478 CB PHE A 30 52.480 -2.606 7.157 1.00 0.00 C ATOM 479 CG PHE A 30 53.338 -2.477 5.922 1.00 0.00 C ATOM 480 CD1 PHE A 30 54.657 -2.947 5.935 1.00 0.00 C ATOM 481 CD2 PHE A 30 52.817 -1.886 4.766 1.00 0.00 C ATOM 482 CE1 PHE A 30 55.454 -2.827 4.790 1.00 0.00 C ATOM 483 CE2 PHE A 30 53.614 -1.766 3.621 1.00 0.00 C ATOM 484 CZ PHE A 30 54.932 -2.236 3.632 1.00 0.00 C ATOM 0 H PHE A 30 52.810 -0.029 7.334 1.00 0.00 H new ATOM 0 HA PHE A 30 50.659 -1.792 6.340 1.00 0.00 H new ATOM 0 HB2 PHE A 30 53.091 -2.482 8.051 1.00 0.00 H new ATOM 0 HB3 PHE A 30 52.042 -3.603 7.206 1.00 0.00 H new ATOM 0 HD1 PHE A 30 55.059 -3.402 6.828 1.00 0.00 H new ATOM 0 HD2 PHE A 30 51.800 -1.522 4.757 1.00 0.00 H new ATOM 0 HE1 PHE A 30 56.471 -3.190 4.800 1.00 0.00 H new ATOM 0 HE2 PHE A 30 53.211 -1.310 2.729 1.00 0.00 H new ATOM 0 HZ PHE A 30 55.546 -2.143 2.749 1.00 0.00 H new ATOM 494 N ASP A 31 49.596 -2.328 8.576 1.00 0.00 N ATOM 495 CA ASP A 31 48.824 -2.393 9.812 1.00 0.00 C ATOM 496 C ASP A 31 49.326 -3.530 10.697 1.00 0.00 C ATOM 497 O ASP A 31 48.900 -4.676 10.553 1.00 0.00 O ATOM 498 CB ASP A 31 47.344 -2.609 9.493 1.00 0.00 C ATOM 499 CG ASP A 31 46.731 -1.316 8.965 1.00 0.00 C ATOM 500 OD1 ASP A 31 47.388 -0.293 9.054 1.00 0.00 O ATOM 501 OD2 ASP A 31 45.613 -1.369 8.480 1.00 0.00 O ATOM 0 H ASP A 31 49.258 -2.937 7.831 1.00 0.00 H new ATOM 0 HA ASP A 31 48.947 -1.450 10.345 1.00 0.00 H new ATOM 0 HB2 ASP A 31 47.235 -3.402 8.753 1.00 0.00 H new ATOM 0 HB3 ASP A 31 46.814 -2.934 10.388 1.00 0.00 H new ATOM 506 N ALA A 32 50.234 -3.203 11.612 1.00 0.00 N ATOM 507 CA ALA A 32 50.787 -4.206 12.515 1.00 0.00 C ATOM 508 C ALA A 32 51.968 -3.632 13.292 1.00 0.00 C ATOM 509 O ALA A 32 52.640 -2.711 12.830 1.00 0.00 O ATOM 510 CB ALA A 32 51.244 -5.431 11.720 1.00 0.00 C ATOM 0 H ALA A 32 50.599 -2.260 11.747 1.00 0.00 H new ATOM 0 HA ALA A 32 50.010 -4.501 13.220 1.00 0.00 H new ATOM 0 HB1 ALA A 32 51.656 -6.175 12.402 1.00 0.00 H new ATOM 0 HB2 ALA A 32 50.394 -5.858 11.188 1.00 0.00 H new ATOM 0 HB3 ALA A 32 52.009 -5.134 11.002 1.00 0.00 H new ATOM 516 N GLU A 33 52.214 -4.183 14.476 1.00 0.00 N ATOM 517 CA GLU A 33 53.315 -3.718 15.312 1.00 0.00 C ATOM 518 C GLU A 33 54.534 -4.623 15.147 1.00 0.00 C ATOM 519 O GLU A 33 54.417 -5.847 15.173 1.00 0.00 O ATOM 520 CB GLU A 33 52.886 -3.701 16.779 1.00 0.00 C ATOM 521 CG GLU A 33 53.964 -3.014 17.620 1.00 0.00 C ATOM 522 CD GLU A 33 53.483 -2.859 19.059 1.00 0.00 C ATOM 523 OE1 GLU A 33 52.352 -3.228 19.327 1.00 0.00 O ATOM 524 OE2 GLU A 33 54.254 -2.374 19.871 1.00 0.00 O ATOM 0 H GLU A 33 51.670 -4.947 14.876 1.00 0.00 H new ATOM 0 HA GLU A 33 53.581 -2.708 15.000 1.00 0.00 H new ATOM 0 HB2 GLU A 33 51.937 -3.175 16.885 1.00 0.00 H new ATOM 0 HB3 GLU A 33 52.727 -4.719 17.134 1.00 0.00 H new ATOM 0 HG2 GLU A 33 54.883 -3.599 17.596 1.00 0.00 H new ATOM 0 HG3 GLU A 33 54.198 -2.036 17.199 1.00 0.00 H new ATOM 531 N VAL A 34 55.700 -4.008 14.979 1.00 0.00 N ATOM 532 CA VAL A 34 56.935 -4.767 14.812 1.00 0.00 C ATOM 533 C VAL A 34 57.800 -4.661 16.064 1.00 0.00 C ATOM 534 O VAL A 34 57.897 -3.596 16.674 1.00 0.00 O ATOM 535 CB VAL A 34 57.714 -4.239 13.606 1.00 0.00 C ATOM 536 CG1 VAL A 34 59.073 -4.939 13.531 1.00 0.00 C ATOM 537 CG2 VAL A 34 56.925 -4.523 12.326 1.00 0.00 C ATOM 0 H VAL A 34 55.816 -2.995 14.955 1.00 0.00 H new ATOM 0 HA VAL A 34 56.678 -5.813 14.648 1.00 0.00 H new ATOM 0 HB VAL A 34 57.863 -3.164 13.712 1.00 0.00 H new ATOM 0 HG11 VAL A 34 59.629 -4.563 12.672 1.00 0.00 H new ATOM 0 HG12 VAL A 34 59.636 -4.739 14.443 1.00 0.00 H new ATOM 0 HG13 VAL A 34 58.923 -6.013 13.425 1.00 0.00 H new ATOM 0 HG21 VAL A 34 57.479 -4.147 11.466 1.00 0.00 H new ATOM 0 HG22 VAL A 34 56.777 -5.598 12.221 1.00 0.00 H new ATOM 0 HG23 VAL A 34 55.956 -4.027 12.378 1.00 0.00 H new ATOM 547 N LEU A 35 58.425 -5.771 16.442 1.00 0.00 N ATOM 548 CA LEU A 35 59.278 -5.790 17.624 1.00 0.00 C ATOM 549 C LEU A 35 60.532 -6.620 17.369 1.00 0.00 C ATOM 550 O LEU A 35 60.455 -7.734 16.849 1.00 0.00 O ATOM 551 CB LEU A 35 58.512 -6.373 18.812 1.00 0.00 C ATOM 552 CG LEU A 35 59.491 -6.697 19.942 1.00 0.00 C ATOM 553 CD1 LEU A 35 58.915 -6.209 21.272 1.00 0.00 C ATOM 554 CD2 LEU A 35 59.710 -8.210 20.006 1.00 0.00 C ATOM 0 H LEU A 35 58.358 -6.663 15.951 1.00 0.00 H new ATOM 0 HA LEU A 35 59.574 -4.766 17.850 1.00 0.00 H new ATOM 0 HB2 LEU A 35 57.762 -5.662 19.159 1.00 0.00 H new ATOM 0 HB3 LEU A 35 57.980 -7.274 18.508 1.00 0.00 H new ATOM 0 HG LEU A 35 60.442 -6.198 19.754 1.00 0.00 H new ATOM 0 HD11 LEU A 35 59.613 -6.440 22.077 1.00 0.00 H new ATOM 0 HD12 LEU A 35 58.757 -5.131 21.227 1.00 0.00 H new ATOM 0 HD13 LEU A 35 57.964 -6.707 21.462 1.00 0.00 H new ATOM 0 HD21 LEU A 35 60.407 -8.443 20.811 1.00 0.00 H new ATOM 0 HD22 LEU A 35 58.759 -8.708 20.195 1.00 0.00 H new ATOM 0 HD23 LEU A 35 60.120 -8.559 19.058 1.00 0.00 H new ATOM 566 N LEU A 36 61.684 -6.071 17.737 1.00 0.00 N ATOM 567 CA LEU A 36 62.950 -6.770 17.543 1.00 0.00 C ATOM 568 C LEU A 36 63.516 -7.232 18.883 1.00 0.00 C ATOM 569 O LEU A 36 63.270 -6.612 19.917 1.00 0.00 O ATOM 570 CB LEU A 36 63.956 -5.849 16.851 1.00 0.00 C ATOM 571 CG LEU A 36 63.320 -5.250 15.595 1.00 0.00 C ATOM 572 CD1 LEU A 36 64.324 -4.325 14.906 1.00 0.00 C ATOM 573 CD2 LEU A 36 62.927 -6.378 14.638 1.00 0.00 C ATOM 0 H LEU A 36 61.768 -5.151 18.168 1.00 0.00 H new ATOM 0 HA LEU A 36 62.769 -7.643 16.916 1.00 0.00 H new ATOM 0 HB2 LEU A 36 64.264 -5.054 17.530 1.00 0.00 H new ATOM 0 HB3 LEU A 36 64.854 -6.407 16.586 1.00 0.00 H new ATOM 0 HG LEU A 36 62.433 -4.680 15.872 1.00 0.00 H new ATOM 0 HD11 LEU A 36 63.871 -3.898 14.011 1.00 0.00 H new ATOM 0 HD12 LEU A 36 64.607 -3.523 15.588 1.00 0.00 H new ATOM 0 HD13 LEU A 36 65.211 -4.894 14.627 1.00 0.00 H new ATOM 0 HD21 LEU A 36 62.474 -5.954 13.742 1.00 0.00 H new ATOM 0 HD22 LEU A 36 63.815 -6.946 14.361 1.00 0.00 H new ATOM 0 HD23 LEU A 36 62.212 -7.039 15.128 1.00 0.00 H new ATOM 585 N ARG A 37 64.275 -8.323 18.854 1.00 0.00 N ATOM 586 CA ARG A 37 64.870 -8.857 20.073 1.00 0.00 C ATOM 587 C ARG A 37 66.207 -9.524 19.768 1.00 0.00 C ATOM 588 O ARG A 37 66.326 -10.290 18.812 1.00 0.00 O ATOM 589 CB ARG A 37 63.924 -9.875 20.714 1.00 0.00 C ATOM 590 CG ARG A 37 62.923 -9.148 21.613 1.00 0.00 C ATOM 591 CD ARG A 37 61.786 -10.100 21.987 1.00 0.00 C ATOM 592 NE ARG A 37 62.311 -11.251 22.715 1.00 0.00 N ATOM 593 CZ ARG A 37 61.555 -12.319 22.948 1.00 0.00 C ATOM 594 NH1 ARG A 37 62.048 -13.336 23.601 1.00 0.00 N ATOM 595 NH2 ARG A 37 60.322 -12.350 22.525 1.00 0.00 N ATOM 0 H ARG A 37 64.491 -8.850 18.008 1.00 0.00 H new ATOM 0 HA ARG A 37 65.038 -8.032 20.765 1.00 0.00 H new ATOM 0 HB2 ARG A 37 63.396 -10.433 19.941 1.00 0.00 H new ATOM 0 HB3 ARG A 37 64.493 -10.599 21.297 1.00 0.00 H new ATOM 0 HG2 ARG A 37 63.421 -8.789 22.513 1.00 0.00 H new ATOM 0 HG3 ARG A 37 62.525 -8.274 21.099 1.00 0.00 H new ATOM 0 HD2 ARG A 37 61.051 -9.578 22.599 1.00 0.00 H new ATOM 0 HD3 ARG A 37 61.271 -10.434 21.087 1.00 0.00 H new ATOM 0 HE ARG A 37 63.274 -11.235 23.051 1.00 0.00 H new ATOM 0 HH11 ARG A 37 63.012 -13.311 23.932 1.00 0.00 H new ATOM 0 HH12 ARG A 37 61.469 -14.156 23.780 1.00 0.00 H new ATOM 0 HH21 ARG A 37 59.938 -11.555 22.015 1.00 0.00 H new ATOM 0 HH22 ARG A 37 59.742 -13.170 22.704 1.00 0.00 H new ATOM 609 N ASN A 38 67.212 -9.228 20.587 1.00 0.00 N ATOM 610 CA ASN A 38 68.536 -9.806 20.396 1.00 0.00 C ATOM 611 C ASN A 38 68.693 -11.076 21.226 1.00 0.00 C ATOM 612 O ASN A 38 68.003 -11.261 22.228 1.00 0.00 O ATOM 613 CB ASN A 38 69.611 -8.795 20.799 1.00 0.00 C ATOM 614 CG ASN A 38 69.706 -7.689 19.753 1.00 0.00 C ATOM 615 OD1 ASN A 38 69.050 -7.758 18.714 1.00 0.00 O ATOM 616 ND2 ASN A 38 70.488 -6.666 19.967 1.00 0.00 N ATOM 0 H ASN A 38 67.135 -8.596 21.384 1.00 0.00 H new ATOM 0 HA ASN A 38 68.652 -10.059 19.342 1.00 0.00 H new ATOM 0 HB2 ASN A 38 69.372 -8.367 21.772 1.00 0.00 H new ATOM 0 HB3 ASN A 38 70.574 -9.296 20.899 1.00 0.00 H new ATOM 0 HD21 ASN A 38 70.556 -5.922 19.273 1.00 0.00 H new ATOM 0 HD22 ASN A 38 71.031 -6.611 20.829 1.00 0.00 H new ATOM 623 N ASP A 39 69.603 -11.946 20.802 1.00 0.00 N ATOM 624 CA ASP A 39 69.841 -13.195 21.516 1.00 0.00 C ATOM 625 C ASP A 39 70.218 -12.920 22.968 1.00 0.00 C ATOM 626 O ASP A 39 69.941 -13.727 23.855 1.00 0.00 O ATOM 627 CB ASP A 39 70.962 -13.982 20.835 1.00 0.00 C ATOM 628 CG ASP A 39 71.079 -15.369 21.458 1.00 0.00 C ATOM 629 OD1 ASP A 39 70.473 -15.584 22.495 1.00 0.00 O ATOM 630 OD2 ASP A 39 71.771 -16.197 20.888 1.00 0.00 O ATOM 0 H ASP A 39 70.184 -11.811 19.974 1.00 0.00 H new ATOM 0 HA ASP A 39 68.923 -13.782 21.497 1.00 0.00 H new ATOM 0 HB2 ASP A 39 70.759 -14.070 19.768 1.00 0.00 H new ATOM 0 HB3 ASP A 39 71.907 -13.448 20.937 1.00 0.00 H new ATOM 635 N GLU A 40 70.853 -11.776 23.203 1.00 0.00 N ATOM 636 CA GLU A 40 71.264 -11.405 24.552 1.00 0.00 C ATOM 637 C GLU A 40 70.045 -11.175 25.440 1.00 0.00 C ATOM 638 O GLU A 40 70.145 -11.203 26.666 1.00 0.00 O ATOM 639 CB GLU A 40 72.114 -10.133 24.508 1.00 0.00 C ATOM 640 CG GLU A 40 73.427 -10.422 23.779 1.00 0.00 C ATOM 641 CD GLU A 40 74.170 -9.118 23.508 1.00 0.00 C ATOM 642 OE1 GLU A 40 73.546 -8.074 23.599 1.00 0.00 O ATOM 643 OE2 GLU A 40 75.352 -9.183 23.212 1.00 0.00 O ATOM 0 H GLU A 40 71.093 -11.095 22.483 1.00 0.00 H new ATOM 0 HA GLU A 40 71.854 -12.221 24.969 1.00 0.00 H new ATOM 0 HB2 GLU A 40 71.571 -9.337 23.999 1.00 0.00 H new ATOM 0 HB3 GLU A 40 72.317 -9.783 25.520 1.00 0.00 H new ATOM 0 HG2 GLU A 40 74.048 -11.086 24.380 1.00 0.00 H new ATOM 0 HG3 GLU A 40 73.226 -10.937 22.840 1.00 0.00 H new ATOM 650 N GLY A 41 68.896 -10.945 24.812 1.00 0.00 N ATOM 651 CA GLY A 41 67.665 -10.711 25.557 1.00 0.00 C ATOM 652 C GLY A 41 67.310 -9.228 25.571 1.00 0.00 C ATOM 653 O GLY A 41 66.437 -8.795 26.324 1.00 0.00 O ATOM 0 H GLY A 41 68.792 -10.916 23.798 1.00 0.00 H new ATOM 0 HA2 GLY A 41 66.850 -11.280 25.109 1.00 0.00 H new ATOM 0 HA3 GLY A 41 67.780 -11.071 26.579 1.00 0.00 H new ATOM 657 N THR A 42 67.991 -8.453 24.733 1.00 0.00 N ATOM 658 CA THR A 42 67.738 -7.019 24.657 1.00 0.00 C ATOM 659 C THR A 42 66.601 -6.727 23.684 1.00 0.00 C ATOM 660 O THR A 42 66.736 -6.928 22.477 1.00 0.00 O ATOM 661 CB THR A 42 69.003 -6.289 24.201 1.00 0.00 C ATOM 662 OG1 THR A 42 70.032 -6.483 25.162 1.00 0.00 O ATOM 663 CG2 THR A 42 68.709 -4.794 24.061 1.00 0.00 C ATOM 0 H THR A 42 68.717 -8.791 24.101 1.00 0.00 H new ATOM 0 HA THR A 42 67.453 -6.666 25.648 1.00 0.00 H new ATOM 0 HB THR A 42 69.325 -6.686 23.238 1.00 0.00 H new ATOM 0 HG1 THR A 42 70.844 -6.017 24.871 1.00 0.00 H new ATOM 0 HG21 THR A 42 69.611 -4.275 23.736 1.00 0.00 H new ATOM 0 HG22 THR A 42 67.920 -4.646 23.324 1.00 0.00 H new ATOM 0 HG23 THR A 42 68.387 -4.395 25.023 1.00 0.00 H new ATOM 671 N GLU A 43 65.480 -6.251 24.217 1.00 0.00 N ATOM 672 CA GLU A 43 64.324 -5.934 23.386 1.00 0.00 C ATOM 673 C GLU A 43 64.503 -4.577 22.713 1.00 0.00 C ATOM 674 O GLU A 43 64.393 -3.535 23.359 1.00 0.00 O ATOM 675 CB GLU A 43 63.055 -5.921 24.239 1.00 0.00 C ATOM 676 CG GLU A 43 63.123 -7.046 25.273 1.00 0.00 C ATOM 677 CD GLU A 43 61.785 -7.174 25.994 1.00 0.00 C ATOM 678 OE1 GLU A 43 60.829 -7.585 25.359 1.00 0.00 O ATOM 679 OE2 GLU A 43 61.737 -6.857 27.171 1.00 0.00 O ATOM 0 H GLU A 43 65.348 -6.077 25.213 1.00 0.00 H new ATOM 0 HA GLU A 43 64.234 -6.699 22.615 1.00 0.00 H new ATOM 0 HB2 GLU A 43 62.951 -4.958 24.740 1.00 0.00 H new ATOM 0 HB3 GLU A 43 62.177 -6.048 23.606 1.00 0.00 H new ATOM 0 HG2 GLU A 43 63.373 -7.987 24.783 1.00 0.00 H new ATOM 0 HG3 GLU A 43 63.915 -6.842 25.993 1.00 0.00 H new ATOM 686 N ALA A 44 64.778 -4.597 21.414 1.00 0.00 N ATOM 687 CA ALA A 44 64.971 -3.362 20.663 1.00 0.00 C ATOM 688 C ALA A 44 63.669 -2.933 19.993 1.00 0.00 C ATOM 689 O ALA A 44 63.528 -3.028 18.774 1.00 0.00 O ATOM 690 CB ALA A 44 66.054 -3.559 19.601 1.00 0.00 C ATOM 0 H ALA A 44 64.872 -5.449 20.861 1.00 0.00 H new ATOM 0 HA ALA A 44 65.283 -2.582 21.358 1.00 0.00 H new ATOM 0 HB1 ALA A 44 66.191 -2.632 19.045 1.00 0.00 H new ATOM 0 HB2 ALA A 44 66.991 -3.835 20.084 1.00 0.00 H new ATOM 0 HB3 ALA A 44 65.752 -4.351 18.916 1.00 0.00 H new ATOM 696 N GLU A 45 62.721 -2.463 20.798 1.00 0.00 N ATOM 697 CA GLU A 45 61.435 -2.024 20.271 1.00 0.00 C ATOM 698 C GLU A 45 61.620 -1.298 18.943 1.00 0.00 C ATOM 699 O GLU A 45 62.317 -0.285 18.869 1.00 0.00 O ATOM 700 CB GLU A 45 60.742 -1.119 21.279 1.00 0.00 C ATOM 701 CG GLU A 45 60.496 -1.905 22.561 1.00 0.00 C ATOM 702 CD GLU A 45 59.797 -1.023 23.590 1.00 0.00 C ATOM 703 OE1 GLU A 45 59.466 -1.531 24.649 1.00 0.00 O ATOM 704 OE2 GLU A 45 59.603 0.147 23.305 1.00 0.00 O ATOM 0 H GLU A 45 62.818 -2.377 21.810 1.00 0.00 H new ATOM 0 HA GLU A 45 60.811 -2.900 20.097 1.00 0.00 H new ATOM 0 HB2 GLU A 45 61.358 -0.244 21.486 1.00 0.00 H new ATOM 0 HB3 GLU A 45 59.798 -0.756 20.873 1.00 0.00 H new ATOM 0 HG2 GLU A 45 59.885 -2.782 22.348 1.00 0.00 H new ATOM 0 HG3 GLU A 45 61.443 -2.266 22.963 1.00 0.00 H new ATOM 711 N ALA A 46 60.992 -1.821 17.894 1.00 0.00 N ATOM 712 CA ALA A 46 61.095 -1.213 16.573 1.00 0.00 C ATOM 713 C ALA A 46 60.469 0.178 16.572 1.00 0.00 C ATOM 714 O ALA A 46 60.449 0.859 15.547 1.00 0.00 O ATOM 715 CB ALA A 46 60.391 -2.093 15.538 1.00 0.00 C ATOM 0 H ALA A 46 60.411 -2.658 17.933 1.00 0.00 H new ATOM 0 HA ALA A 46 62.150 -1.123 16.316 1.00 0.00 H new ATOM 0 HB1 ALA A 46 60.472 -1.632 14.553 1.00 0.00 H new ATOM 0 HB2 ALA A 46 60.860 -3.077 15.518 1.00 0.00 H new ATOM 0 HB3 ALA A 46 59.339 -2.197 15.804 1.00 0.00 H new ATOM 721 N ASN A 47 59.960 0.592 17.727 1.00 0.00 N ATOM 722 CA ASN A 47 59.336 1.905 17.848 1.00 0.00 C ATOM 723 C ASN A 47 60.168 2.814 18.746 1.00 0.00 C ATOM 724 O ASN A 47 59.641 3.724 19.386 1.00 0.00 O ATOM 725 CB ASN A 47 57.927 1.762 18.428 1.00 0.00 C ATOM 726 CG ASN A 47 58.003 1.213 19.850 1.00 0.00 C ATOM 727 OD1 ASN A 47 59.058 1.264 20.481 1.00 0.00 O ATOM 728 ND2 ASN A 47 56.939 0.687 20.393 1.00 0.00 N ATOM 0 H ASN A 47 59.967 0.043 18.587 1.00 0.00 H new ATOM 0 HA ASN A 47 59.277 2.351 16.855 1.00 0.00 H new ATOM 0 HB2 ASN A 47 57.425 2.729 18.429 1.00 0.00 H new ATOM 0 HB3 ASN A 47 57.333 1.095 17.803 1.00 0.00 H new ATOM 0 HD21 ASN A 47 56.981 0.317 21.343 1.00 0.00 H new ATOM 0 HD22 ASN A 47 56.066 0.646 19.868 1.00 0.00 H new ATOM 735 N SER A 48 61.473 2.564 18.787 1.00 0.00 N ATOM 736 CA SER A 48 62.370 3.366 19.610 1.00 0.00 C ATOM 737 C SER A 48 63.722 3.534 18.924 1.00 0.00 C ATOM 738 O SER A 48 64.366 2.552 18.554 1.00 0.00 O ATOM 739 CB SER A 48 62.566 2.700 20.972 1.00 0.00 C ATOM 740 OG SER A 48 61.547 3.140 21.862 1.00 0.00 O ATOM 0 H SER A 48 61.930 1.817 18.264 1.00 0.00 H new ATOM 0 HA SER A 48 61.921 4.350 19.749 1.00 0.00 H new ATOM 0 HB2 SER A 48 62.530 1.616 20.868 1.00 0.00 H new ATOM 0 HB3 SER A 48 63.548 2.949 21.374 1.00 0.00 H new ATOM 0 HG SER A 48 60.765 3.428 21.347 1.00 0.00 H new ATOM 746 N VAL A 49 64.144 4.783 18.758 1.00 0.00 N ATOM 747 CA VAL A 49 65.422 5.066 18.115 1.00 0.00 C ATOM 748 C VAL A 49 66.578 4.543 18.962 1.00 0.00 C ATOM 749 O VAL A 49 67.593 4.092 18.434 1.00 0.00 O ATOM 750 CB VAL A 49 65.579 6.573 17.908 1.00 0.00 C ATOM 751 CG1 VAL A 49 64.474 7.080 16.981 1.00 0.00 C ATOM 752 CG2 VAL A 49 65.477 7.285 19.259 1.00 0.00 C ATOM 0 H VAL A 49 63.625 5.609 19.057 1.00 0.00 H new ATOM 0 HA VAL A 49 65.440 4.562 17.149 1.00 0.00 H new ATOM 0 HB VAL A 49 66.551 6.779 17.459 1.00 0.00 H new ATOM 0 HG11 VAL A 49 64.587 8.154 16.834 1.00 0.00 H new ATOM 0 HG12 VAL A 49 64.545 6.573 16.019 1.00 0.00 H new ATOM 0 HG13 VAL A 49 63.501 6.875 17.428 1.00 0.00 H new ATOM 0 HG21 VAL A 49 65.589 8.359 19.113 1.00 0.00 H new ATOM 0 HG22 VAL A 49 64.505 7.079 19.707 1.00 0.00 H new ATOM 0 HG23 VAL A 49 66.265 6.925 19.921 1.00 0.00 H new ATOM 762 N ILE A 50 66.414 4.607 20.280 1.00 0.00 N ATOM 763 CA ILE A 50 67.451 4.137 21.191 1.00 0.00 C ATOM 764 C ILE A 50 67.710 2.648 20.987 1.00 0.00 C ATOM 765 O ILE A 50 68.848 2.187 21.080 1.00 0.00 O ATOM 766 CB ILE A 50 67.026 4.388 22.639 1.00 0.00 C ATOM 767 CG1 ILE A 50 66.986 5.895 22.904 1.00 0.00 C ATOM 768 CG2 ILE A 50 68.031 3.732 23.588 1.00 0.00 C ATOM 769 CD1 ILE A 50 66.209 6.167 24.193 1.00 0.00 C ATOM 0 H ILE A 50 65.581 4.976 20.737 1.00 0.00 H new ATOM 0 HA ILE A 50 68.369 4.686 20.980 1.00 0.00 H new ATOM 0 HB ILE A 50 66.037 3.962 22.806 1.00 0.00 H new ATOM 0 HG12 ILE A 50 68.000 6.287 22.988 1.00 0.00 H new ATOM 0 HG13 ILE A 50 66.514 6.410 22.067 1.00 0.00 H new ATOM 0 HG21 ILE A 50 67.728 3.911 24.620 1.00 0.00 H new ATOM 0 HG22 ILE A 50 68.062 2.659 23.400 1.00 0.00 H new ATOM 0 HG23 ILE A 50 69.020 4.158 23.421 1.00 0.00 H new ATOM 0 HD11 ILE A 50 66.181 7.240 24.381 1.00 0.00 H new ATOM 0 HD12 ILE A 50 65.192 5.790 24.091 1.00 0.00 H new ATOM 0 HD13 ILE A 50 66.700 5.665 25.027 1.00 0.00 H new ATOM 781 N ALA A 51 66.647 1.900 20.707 1.00 0.00 N ATOM 782 CA ALA A 51 66.771 0.463 20.491 1.00 0.00 C ATOM 783 C ALA A 51 67.542 0.179 19.206 1.00 0.00 C ATOM 784 O ALA A 51 68.373 -0.729 19.158 1.00 0.00 O ATOM 785 CB ALA A 51 65.384 -0.174 20.408 1.00 0.00 C ATOM 0 H ALA A 51 65.697 2.262 20.625 1.00 0.00 H new ATOM 0 HA ALA A 51 67.317 0.034 21.331 1.00 0.00 H new ATOM 0 HB1 ALA A 51 65.486 -1.247 20.247 1.00 0.00 H new ATOM 0 HB2 ALA A 51 64.846 0.004 21.339 1.00 0.00 H new ATOM 0 HB3 ALA A 51 64.830 0.267 19.579 1.00 0.00 H new ATOM 791 N LEU A 52 67.262 0.960 18.169 1.00 0.00 N ATOM 792 CA LEU A 52 67.935 0.782 16.888 1.00 0.00 C ATOM 793 C LEU A 52 69.441 0.968 17.043 1.00 0.00 C ATOM 794 O LEU A 52 70.231 0.249 16.430 1.00 0.00 O ATOM 795 CB LEU A 52 67.397 1.791 15.871 1.00 0.00 C ATOM 796 CG LEU A 52 65.942 1.456 15.541 1.00 0.00 C ATOM 797 CD1 LEU A 52 65.376 2.517 14.596 1.00 0.00 C ATOM 798 CD2 LEU A 52 65.874 0.085 14.867 1.00 0.00 C ATOM 0 H LEU A 52 66.579 1.717 18.189 1.00 0.00 H new ATOM 0 HA LEU A 52 67.740 -0.230 16.534 1.00 0.00 H new ATOM 0 HB2 LEU A 52 67.466 2.801 16.274 1.00 0.00 H new ATOM 0 HB3 LEU A 52 68.001 1.767 14.964 1.00 0.00 H new ATOM 0 HG LEU A 52 65.356 1.438 16.460 1.00 0.00 H new ATOM 0 HD11 LEU A 52 64.339 2.278 14.361 1.00 0.00 H new ATOM 0 HD12 LEU A 52 65.424 3.494 15.076 1.00 0.00 H new ATOM 0 HD13 LEU A 52 65.962 2.535 13.677 1.00 0.00 H new ATOM 0 HD21 LEU A 52 64.837 -0.154 14.632 1.00 0.00 H new ATOM 0 HD22 LEU A 52 66.460 0.102 13.948 1.00 0.00 H new ATOM 0 HD23 LEU A 52 66.277 -0.672 15.540 1.00 0.00 H new ATOM 810 N LEU A 53 69.832 1.936 17.865 1.00 0.00 N ATOM 811 CA LEU A 53 71.247 2.206 18.092 1.00 0.00 C ATOM 812 C LEU A 53 71.897 1.054 18.851 1.00 0.00 C ATOM 813 O LEU A 53 73.076 0.756 18.656 1.00 0.00 O ATOM 814 CB LEU A 53 71.409 3.501 18.890 1.00 0.00 C ATOM 815 CG LEU A 53 72.718 4.185 18.493 1.00 0.00 C ATOM 816 CD1 LEU A 53 72.904 5.457 19.323 1.00 0.00 C ATOM 817 CD2 LEU A 53 73.888 3.234 18.751 1.00 0.00 C ATOM 0 H LEU A 53 69.195 2.542 18.381 1.00 0.00 H new ATOM 0 HA LEU A 53 71.738 2.311 17.124 1.00 0.00 H new ATOM 0 HB2 LEU A 53 70.567 4.166 18.699 1.00 0.00 H new ATOM 0 HB3 LEU A 53 71.409 3.285 19.958 1.00 0.00 H new ATOM 0 HG LEU A 53 72.685 4.444 17.435 1.00 0.00 H new ATOM 0 HD11 LEU A 53 73.837 5.943 19.039 1.00 0.00 H new ATOM 0 HD12 LEU A 53 72.071 6.136 19.140 1.00 0.00 H new ATOM 0 HD13 LEU A 53 72.937 5.199 20.382 1.00 0.00 H new ATOM 0 HD21 LEU A 53 74.822 3.721 18.468 1.00 0.00 H new ATOM 0 HD22 LEU A 53 73.920 2.975 19.809 1.00 0.00 H new ATOM 0 HD23 LEU A 53 73.758 2.328 18.159 1.00 0.00 H new ATOM 829 N MET A 54 71.121 0.409 19.716 1.00 0.00 N ATOM 830 CA MET A 54 71.632 -0.711 20.499 1.00 0.00 C ATOM 831 C MET A 54 71.876 -1.923 19.605 1.00 0.00 C ATOM 832 O MET A 54 72.828 -2.676 19.811 1.00 0.00 O ATOM 833 CB MET A 54 70.634 -1.077 21.598 1.00 0.00 C ATOM 834 CG MET A 54 71.251 -2.131 22.518 1.00 0.00 C ATOM 835 SD MET A 54 72.476 -1.349 23.596 1.00 0.00 S ATOM 836 CE MET A 54 72.960 -2.836 24.507 1.00 0.00 C ATOM 0 H MET A 54 70.143 0.640 19.892 1.00 0.00 H new ATOM 0 HA MET A 54 72.577 -0.413 20.952 1.00 0.00 H new ATOM 0 HB2 MET A 54 70.367 -0.189 22.172 1.00 0.00 H new ATOM 0 HB3 MET A 54 69.714 -1.459 21.156 1.00 0.00 H new ATOM 0 HG2 MET A 54 70.474 -2.606 23.117 1.00 0.00 H new ATOM 0 HG3 MET A 54 71.721 -2.916 21.925 1.00 0.00 H new ATOM 0 HE1 MET A 54 73.724 -2.580 25.242 1.00 0.00 H new ATOM 0 HE2 MET A 54 72.090 -3.250 25.017 1.00 0.00 H new ATOM 0 HE3 MET A 54 73.358 -3.575 23.812 1.00 0.00 H new ATOM 846 N LEU A 55 71.010 -2.104 18.614 1.00 0.00 N ATOM 847 CA LEU A 55 71.142 -3.230 17.695 1.00 0.00 C ATOM 848 C LEU A 55 72.429 -3.113 16.885 1.00 0.00 C ATOM 849 O LEU A 55 72.951 -4.109 16.383 1.00 0.00 O ATOM 850 CB LEU A 55 69.942 -3.272 16.745 1.00 0.00 C ATOM 851 CG LEU A 55 68.673 -3.580 17.540 1.00 0.00 C ATOM 852 CD1 LEU A 55 67.453 -3.449 16.627 1.00 0.00 C ATOM 853 CD2 LEU A 55 68.748 -5.009 18.086 1.00 0.00 C ATOM 0 H LEU A 55 70.216 -1.492 18.427 1.00 0.00 H new ATOM 0 HA LEU A 55 71.176 -4.149 18.280 1.00 0.00 H new ATOM 0 HB2 LEU A 55 69.839 -2.317 16.230 1.00 0.00 H new ATOM 0 HB3 LEU A 55 70.097 -4.032 15.979 1.00 0.00 H new ATOM 0 HG LEU A 55 68.584 -2.877 18.368 1.00 0.00 H new ATOM 0 HD11 LEU A 55 66.549 -3.669 17.194 1.00 0.00 H new ATOM 0 HD12 LEU A 55 67.398 -2.433 16.236 1.00 0.00 H new ATOM 0 HD13 LEU A 55 67.541 -4.152 15.799 1.00 0.00 H new ATOM 0 HD21 LEU A 55 67.844 -5.230 18.653 1.00 0.00 H new ATOM 0 HD22 LEU A 55 68.837 -5.711 17.257 1.00 0.00 H new ATOM 0 HD23 LEU A 55 69.617 -5.105 18.737 1.00 0.00 H new ATOM 865 N ASP A 56 72.938 -1.890 16.763 1.00 0.00 N ATOM 866 CA ASP A 56 74.165 -1.656 16.011 1.00 0.00 C ATOM 867 C ASP A 56 75.267 -2.603 16.476 1.00 0.00 C ATOM 868 O ASP A 56 76.075 -3.070 15.674 1.00 0.00 O ATOM 869 CB ASP A 56 74.622 -0.208 16.197 1.00 0.00 C ATOM 870 CG ASP A 56 75.846 0.068 15.330 1.00 0.00 C ATOM 871 OD1 ASP A 56 76.382 -0.879 14.779 1.00 0.00 O ATOM 872 OD2 ASP A 56 76.228 1.222 15.231 1.00 0.00 O ATOM 0 H ASP A 56 72.523 -1.053 17.172 1.00 0.00 H new ATOM 0 HA ASP A 56 73.964 -1.841 14.956 1.00 0.00 H new ATOM 0 HB2 ASP A 56 73.815 0.474 15.929 1.00 0.00 H new ATOM 0 HB3 ASP A 56 74.860 -0.025 17.245 1.00 0.00 H new ATOM 877 N SER A 57 75.293 -2.880 17.775 1.00 0.00 N ATOM 878 CA SER A 57 76.302 -3.772 18.336 1.00 0.00 C ATOM 879 C SER A 57 75.972 -5.226 18.007 1.00 0.00 C ATOM 880 O SER A 57 76.773 -6.126 18.259 1.00 0.00 O ATOM 881 CB SER A 57 76.372 -3.594 19.852 1.00 0.00 C ATOM 882 OG SER A 57 75.153 -4.037 20.435 1.00 0.00 O ATOM 0 H SER A 57 74.633 -2.503 18.455 1.00 0.00 H new ATOM 0 HA SER A 57 77.267 -3.521 17.897 1.00 0.00 H new ATOM 0 HB2 SER A 57 77.210 -4.161 20.258 1.00 0.00 H new ATOM 0 HB3 SER A 57 76.547 -2.547 20.099 1.00 0.00 H new ATOM 0 HG SER A 57 74.425 -3.437 20.167 1.00 0.00 H new ATOM 888 N ALA A 58 74.789 -5.446 17.444 1.00 0.00 N ATOM 889 CA ALA A 58 74.364 -6.794 17.086 1.00 0.00 C ATOM 890 C ALA A 58 75.038 -7.243 15.793 1.00 0.00 C ATOM 891 O ALA A 58 74.459 -7.992 15.007 1.00 0.00 O ATOM 892 CB ALA A 58 72.844 -6.834 16.912 1.00 0.00 C ATOM 0 H ALA A 58 74.112 -4.715 17.227 1.00 0.00 H new ATOM 0 HA ALA A 58 74.655 -7.471 17.889 1.00 0.00 H new ATOM 0 HB1 ALA A 58 72.535 -7.844 16.645 1.00 0.00 H new ATOM 0 HB2 ALA A 58 72.363 -6.542 17.846 1.00 0.00 H new ATOM 0 HB3 ALA A 58 72.550 -6.144 16.121 1.00 0.00 H new ATOM 898 N LYS A 59 76.265 -6.779 15.580 1.00 0.00 N ATOM 899 CA LYS A 59 77.009 -7.139 14.378 1.00 0.00 C ATOM 900 C LYS A 59 77.533 -8.568 14.481 1.00 0.00 C ATOM 901 O LYS A 59 78.587 -8.813 15.066 1.00 0.00 O ATOM 902 CB LYS A 59 78.183 -6.177 14.182 1.00 0.00 C ATOM 903 CG LYS A 59 78.896 -6.503 12.868 1.00 0.00 C ATOM 904 CD LYS A 59 80.028 -5.500 12.639 1.00 0.00 C ATOM 905 CE LYS A 59 80.785 -5.865 11.362 1.00 0.00 C ATOM 906 NZ LYS A 59 79.854 -5.802 10.199 1.00 0.00 N ATOM 0 H LYS A 59 76.762 -6.158 16.218 1.00 0.00 H new ATOM 0 HA LYS A 59 76.336 -7.070 13.523 1.00 0.00 H new ATOM 0 HB2 LYS A 59 77.825 -5.148 14.168 1.00 0.00 H new ATOM 0 HB3 LYS A 59 78.879 -6.261 15.016 1.00 0.00 H new ATOM 0 HG2 LYS A 59 79.295 -7.517 12.900 1.00 0.00 H new ATOM 0 HG3 LYS A 59 78.189 -6.465 12.039 1.00 0.00 H new ATOM 0 HD2 LYS A 59 79.623 -4.491 12.558 1.00 0.00 H new ATOM 0 HD3 LYS A 59 80.708 -5.503 13.491 1.00 0.00 H new ATOM 0 HE2 LYS A 59 81.619 -5.179 11.212 1.00 0.00 H new ATOM 0 HE3 LYS A 59 81.207 -6.866 11.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 80.403 -5.763 9.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 79.249 -6.648 10.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 79.260 -4.952 10.275 1.00 0.00 H new ATOM 920 N GLY A 60 76.788 -9.508 13.906 1.00 0.00 N ATOM 921 CA GLY A 60 77.187 -10.910 13.938 1.00 0.00 C ATOM 922 C GLY A 60 76.371 -11.685 14.966 1.00 0.00 C ATOM 923 O GLY A 60 76.630 -12.863 15.220 1.00 0.00 O ATOM 0 H GLY A 60 75.912 -9.326 13.416 1.00 0.00 H new ATOM 0 HA2 GLY A 60 77.052 -11.353 12.951 1.00 0.00 H new ATOM 0 HA3 GLY A 60 78.248 -10.985 14.178 1.00 0.00 H new ATOM 927 N ARG A 61 75.385 -11.017 15.557 1.00 0.00 N ATOM 928 CA ARG A 61 74.537 -11.654 16.557 1.00 0.00 C ATOM 929 C ARG A 61 73.188 -12.034 15.953 1.00 0.00 C ATOM 930 O ARG A 61 72.822 -11.558 14.879 1.00 0.00 O ATOM 931 CB ARG A 61 74.320 -10.706 17.738 1.00 0.00 C ATOM 932 CG ARG A 61 75.666 -10.381 18.387 1.00 0.00 C ATOM 933 CD ARG A 61 75.433 -9.748 19.760 1.00 0.00 C ATOM 934 NE ARG A 61 76.692 -9.256 20.309 1.00 0.00 N ATOM 935 CZ ARG A 61 77.552 -10.081 20.897 1.00 0.00 C ATOM 936 NH1 ARG A 61 78.672 -9.618 21.382 1.00 0.00 N ATOM 937 NH2 ARG A 61 77.278 -11.354 20.989 1.00 0.00 N ATOM 0 H ARG A 61 75.155 -10.042 15.362 1.00 0.00 H new ATOM 0 HA ARG A 61 75.035 -12.559 16.904 1.00 0.00 H new ATOM 0 HB2 ARG A 61 73.838 -9.790 17.398 1.00 0.00 H new ATOM 0 HB3 ARG A 61 73.654 -11.165 18.468 1.00 0.00 H new ATOM 0 HG2 ARG A 61 76.260 -11.289 18.490 1.00 0.00 H new ATOM 0 HG3 ARG A 61 76.232 -9.699 17.752 1.00 0.00 H new ATOM 0 HD2 ARG A 61 74.720 -8.928 19.674 1.00 0.00 H new ATOM 0 HD3 ARG A 61 74.995 -10.481 20.437 1.00 0.00 H new ATOM 0 HE ARG A 61 76.916 -8.263 20.240 1.00 0.00 H new ATOM 0 HH11 ARG A 61 78.887 -8.623 21.310 1.00 0.00 H new ATOM 0 HH12 ARG A 61 79.332 -10.251 21.833 1.00 0.00 H new ATOM 0 HH21 ARG A 61 76.403 -11.716 20.609 1.00 0.00 H new ATOM 0 HH22 ARG A 61 77.939 -11.987 21.440 1.00 0.00 H new ATOM 951 N GLN A 62 72.455 -12.895 16.651 1.00 0.00 N ATOM 952 CA GLN A 62 71.148 -13.332 16.172 1.00 0.00 C ATOM 953 C GLN A 62 70.035 -12.554 16.867 1.00 0.00 C ATOM 954 O GLN A 62 70.136 -12.232 18.051 1.00 0.00 O ATOM 955 CB GLN A 62 70.970 -14.829 16.436 1.00 0.00 C ATOM 956 CG GLN A 62 71.906 -15.623 15.524 1.00 0.00 C ATOM 957 CD GLN A 62 71.885 -17.098 15.913 1.00 0.00 C ATOM 958 OE1 GLN A 62 71.586 -17.435 17.058 1.00 0.00 O ATOM 959 NE2 GLN A 62 72.187 -18.003 15.022 1.00 0.00 N ATOM 0 H GLN A 62 72.740 -13.301 17.542 1.00 0.00 H new ATOM 0 HA GLN A 62 71.092 -13.143 15.100 1.00 0.00 H new ATOM 0 HB2 GLN A 62 71.186 -15.053 17.481 1.00 0.00 H new ATOM 0 HB3 GLN A 62 69.935 -15.120 16.255 1.00 0.00 H new ATOM 0 HG2 GLN A 62 71.599 -15.508 14.485 1.00 0.00 H new ATOM 0 HG3 GLN A 62 72.921 -15.232 15.601 1.00 0.00 H new ATOM 0 HE21 GLN A 62 72.435 -17.722 14.073 1.00 0.00 H new ATOM 0 HE22 GLN A 62 72.175 -18.991 15.275 1.00 0.00 H new ATOM 968 N ILE A 63 68.974 -12.257 16.124 1.00 0.00 N ATOM 969 CA ILE A 63 67.848 -11.516 16.679 1.00 0.00 C ATOM 970 C ILE A 63 66.529 -12.176 16.292 1.00 0.00 C ATOM 971 O ILE A 63 66.470 -12.960 15.345 1.00 0.00 O ATOM 972 CB ILE A 63 67.869 -10.075 16.169 1.00 0.00 C ATOM 973 CG1 ILE A 63 67.556 -10.062 14.670 1.00 0.00 C ATOM 974 CG2 ILE A 63 69.252 -9.467 16.405 1.00 0.00 C ATOM 975 CD1 ILE A 63 67.667 -8.632 14.137 1.00 0.00 C ATOM 0 H ILE A 63 68.871 -12.516 15.143 1.00 0.00 H new ATOM 0 HA ILE A 63 67.936 -11.518 17.765 1.00 0.00 H new ATOM 0 HB ILE A 63 67.121 -9.490 16.704 1.00 0.00 H new ATOM 0 HG12 ILE A 63 68.248 -10.714 14.138 1.00 0.00 H new ATOM 0 HG13 ILE A 63 66.553 -10.450 14.494 1.00 0.00 H new ATOM 0 HG21 ILE A 63 69.265 -8.440 16.041 1.00 0.00 H new ATOM 0 HG22 ILE A 63 69.476 -9.477 17.472 1.00 0.00 H new ATOM 0 HG23 ILE A 63 70.002 -10.051 15.871 1.00 0.00 H new ATOM 0 HD11 ILE A 63 67.444 -8.623 13.070 1.00 0.00 H new ATOM 0 HD12 ILE A 63 66.957 -7.992 14.661 1.00 0.00 H new ATOM 0 HD13 ILE A 63 68.679 -8.261 14.299 1.00 0.00 H new ATOM 987 N GLU A 64 65.472 -11.852 17.030 1.00 0.00 N ATOM 988 CA GLU A 64 64.157 -12.419 16.754 1.00 0.00 C ATOM 989 C GLU A 64 63.160 -11.317 16.416 1.00 0.00 C ATOM 990 O GLU A 64 62.688 -10.600 17.299 1.00 0.00 O ATOM 991 CB GLU A 64 63.662 -13.204 17.971 1.00 0.00 C ATOM 992 CG GLU A 64 64.838 -13.932 18.625 1.00 0.00 C ATOM 993 CD GLU A 64 65.395 -13.096 19.771 1.00 0.00 C ATOM 994 OE1 GLU A 64 64.622 -12.727 20.640 1.00 0.00 O ATOM 995 OE2 GLU A 64 66.587 -12.837 19.765 1.00 0.00 O ATOM 0 H GLU A 64 65.499 -11.205 17.818 1.00 0.00 H new ATOM 0 HA GLU A 64 64.242 -13.090 15.899 1.00 0.00 H new ATOM 0 HB2 GLU A 64 63.196 -12.528 18.688 1.00 0.00 H new ATOM 0 HB3 GLU A 64 62.900 -13.922 17.668 1.00 0.00 H new ATOM 0 HG2 GLU A 64 64.514 -14.904 18.997 1.00 0.00 H new ATOM 0 HG3 GLU A 64 65.618 -14.117 17.886 1.00 0.00 H new ATOM 1002 N VAL A 65 62.841 -11.188 15.132 1.00 0.00 N ATOM 1003 CA VAL A 65 61.897 -10.168 14.688 1.00 0.00 C ATOM 1004 C VAL A 65 60.463 -10.663 14.840 1.00 0.00 C ATOM 1005 O VAL A 65 60.116 -11.747 14.369 1.00 0.00 O ATOM 1006 CB VAL A 65 62.163 -9.811 13.225 1.00 0.00 C ATOM 1007 CG1 VAL A 65 61.265 -8.645 12.812 1.00 0.00 C ATOM 1008 CG2 VAL A 65 63.631 -9.408 13.060 1.00 0.00 C ATOM 0 H VAL A 65 63.219 -11.772 14.386 1.00 0.00 H new ATOM 0 HA VAL A 65 62.031 -9.282 15.308 1.00 0.00 H new ATOM 0 HB VAL A 65 61.948 -10.674 12.595 1.00 0.00 H new ATOM 0 HG11 VAL A 65 61.455 -8.391 11.769 1.00 0.00 H new ATOM 0 HG12 VAL A 65 60.220 -8.931 12.931 1.00 0.00 H new ATOM 0 HG13 VAL A 65 61.479 -7.781 13.441 1.00 0.00 H new ATOM 0 HG21 VAL A 65 63.823 -9.153 12.018 1.00 0.00 H new ATOM 0 HG22 VAL A 65 63.844 -8.545 13.690 1.00 0.00 H new ATOM 0 HG23 VAL A 65 64.272 -10.239 13.354 1.00 0.00 H new ATOM 1018 N GLU A 66 59.631 -9.862 15.500 1.00 0.00 N ATOM 1019 CA GLU A 66 58.236 -10.230 15.708 1.00 0.00 C ATOM 1020 C GLU A 66 57.310 -9.141 15.176 1.00 0.00 C ATOM 1021 O GLU A 66 57.577 -7.950 15.342 1.00 0.00 O ATOM 1022 CB GLU A 66 57.969 -10.446 17.198 1.00 0.00 C ATOM 1023 CG GLU A 66 56.477 -10.263 17.482 1.00 0.00 C ATOM 1024 CD GLU A 66 56.110 -10.937 18.800 1.00 0.00 C ATOM 1025 OE1 GLU A 66 56.991 -11.525 19.407 1.00 0.00 O ATOM 1026 OE2 GLU A 66 54.955 -10.855 19.183 1.00 0.00 O ATOM 0 H GLU A 66 59.897 -8.961 15.897 1.00 0.00 H new ATOM 0 HA GLU A 66 58.039 -11.155 15.166 1.00 0.00 H new ATOM 0 HB2 GLU A 66 58.286 -11.446 17.494 1.00 0.00 H new ATOM 0 HB3 GLU A 66 58.552 -9.739 17.789 1.00 0.00 H new ATOM 0 HG2 GLU A 66 56.235 -9.201 17.527 1.00 0.00 H new ATOM 0 HG3 GLU A 66 55.889 -10.690 16.670 1.00 0.00 H new ATOM 1033 N ALA A 67 56.221 -9.556 14.536 1.00 0.00 N ATOM 1034 CA ALA A 67 55.263 -8.605 13.984 1.00 0.00 C ATOM 1035 C ALA A 67 53.835 -9.063 14.262 1.00 0.00 C ATOM 1036 O ALA A 67 53.507 -10.239 14.104 1.00 0.00 O ATOM 1037 CB ALA A 67 55.473 -8.469 12.475 1.00 0.00 C ATOM 0 H ALA A 67 55.981 -10.536 14.388 1.00 0.00 H new ATOM 0 HA ALA A 67 55.422 -7.638 14.461 1.00 0.00 H new ATOM 0 HB1 ALA A 67 54.754 -7.757 12.070 1.00 0.00 H new ATOM 0 HB2 ALA A 67 56.485 -8.114 12.279 1.00 0.00 H new ATOM 0 HB3 ALA A 67 55.330 -9.439 11.999 1.00 0.00 H new ATOM 1043 N THR A 68 52.989 -8.125 14.677 1.00 0.00 N ATOM 1044 CA THR A 68 51.596 -8.443 14.974 1.00 0.00 C ATOM 1045 C THR A 68 50.661 -7.480 14.252 1.00 0.00 C ATOM 1046 O THR A 68 50.843 -6.264 14.306 1.00 0.00 O ATOM 1047 CB THR A 68 51.353 -8.360 16.483 1.00 0.00 C ATOM 1048 OG1 THR A 68 52.452 -8.941 17.170 1.00 0.00 O ATOM 1049 CG2 THR A 68 50.072 -9.116 16.837 1.00 0.00 C ATOM 0 H THR A 68 53.241 -7.146 14.815 1.00 0.00 H new ATOM 0 HA THR A 68 51.392 -9.456 14.628 1.00 0.00 H new ATOM 0 HB THR A 68 51.250 -7.316 16.778 1.00 0.00 H new ATOM 0 HG1 THR A 68 52.299 -8.887 18.136 1.00 0.00 H new ATOM 0 HG21 THR A 68 49.900 -9.057 17.912 1.00 0.00 H new ATOM 0 HG22 THR A 68 49.229 -8.670 16.309 1.00 0.00 H new ATOM 0 HG23 THR A 68 50.173 -10.161 16.543 1.00 0.00 H new ATOM 1057 N GLY A 69 49.659 -8.032 13.575 1.00 0.00 N ATOM 1058 CA GLY A 69 48.700 -7.212 12.845 1.00 0.00 C ATOM 1059 C GLY A 69 48.346 -7.848 11.506 1.00 0.00 C ATOM 1060 O GLY A 69 49.039 -8.749 11.032 1.00 0.00 O ATOM 0 H GLY A 69 49.491 -9.036 13.517 1.00 0.00 H new ATOM 0 HA2 GLY A 69 47.797 -7.085 13.441 1.00 0.00 H new ATOM 0 HA3 GLY A 69 49.116 -6.218 12.681 1.00 0.00 H new ATOM 1064 N PRO A 70 47.287 -7.393 10.895 1.00 0.00 N ATOM 1065 CA PRO A 70 46.824 -7.921 9.579 1.00 0.00 C ATOM 1066 C PRO A 70 47.965 -8.037 8.572 1.00 0.00 C ATOM 1067 O PRO A 70 48.096 -9.048 7.882 1.00 0.00 O ATOM 1068 CB PRO A 70 45.791 -6.891 9.120 1.00 0.00 C ATOM 1069 CG PRO A 70 45.281 -6.252 10.369 1.00 0.00 C ATOM 1070 CD PRO A 70 46.412 -6.322 11.395 1.00 0.00 C ATOM 0 HA PRO A 70 46.419 -8.929 9.661 1.00 0.00 H new ATOM 0 HB2 PRO A 70 46.242 -6.152 8.457 1.00 0.00 H new ATOM 0 HB3 PRO A 70 44.983 -7.367 8.565 1.00 0.00 H new ATOM 0 HG2 PRO A 70 44.991 -5.218 10.183 1.00 0.00 H new ATOM 0 HG3 PRO A 70 44.395 -6.771 10.735 1.00 0.00 H new ATOM 0 HD2 PRO A 70 46.944 -5.374 11.466 1.00 0.00 H new ATOM 0 HD3 PRO A 70 46.033 -6.550 12.391 1.00 0.00 H new ATOM 1078 N GLN A 71 48.786 -6.995 8.494 1.00 0.00 N ATOM 1079 CA GLN A 71 49.912 -6.992 7.567 1.00 0.00 C ATOM 1080 C GLN A 71 51.207 -7.344 8.294 1.00 0.00 C ATOM 1081 O GLN A 71 52.300 -7.037 7.819 1.00 0.00 O ATOM 1082 CB GLN A 71 50.049 -5.612 6.919 1.00 0.00 C ATOM 1083 CG GLN A 71 48.823 -5.334 6.048 1.00 0.00 C ATOM 1084 CD GLN A 71 48.925 -3.943 5.433 1.00 0.00 C ATOM 1085 OE1 GLN A 71 49.883 -3.647 4.718 1.00 0.00 O ATOM 1086 NE2 GLN A 71 47.989 -3.064 5.670 1.00 0.00 N ATOM 0 H GLN A 71 48.695 -6.149 9.056 1.00 0.00 H new ATOM 0 HA GLN A 71 49.726 -7.740 6.797 1.00 0.00 H new ATOM 0 HB2 GLN A 71 50.144 -4.845 7.688 1.00 0.00 H new ATOM 0 HB3 GLN A 71 50.955 -5.571 6.314 1.00 0.00 H new ATOM 0 HG2 GLN A 71 48.748 -6.084 5.261 1.00 0.00 H new ATOM 0 HG3 GLN A 71 47.916 -5.410 6.648 1.00 0.00 H new ATOM 0 HE21 GLN A 71 47.196 -3.310 6.262 1.00 0.00 H new ATOM 0 HE22 GLN A 71 48.051 -2.131 5.263 1.00 0.00 H new ATOM 1095 N GLU A 72 51.074 -7.991 9.447 1.00 0.00 N ATOM 1096 CA GLU A 72 52.241 -8.381 10.231 1.00 0.00 C ATOM 1097 C GLU A 72 53.239 -9.144 9.365 1.00 0.00 C ATOM 1098 O GLU A 72 54.450 -8.977 9.504 1.00 0.00 O ATOM 1099 CB GLU A 72 51.809 -9.257 11.408 1.00 0.00 C ATOM 1100 CG GLU A 72 51.282 -10.594 10.883 1.00 0.00 C ATOM 1101 CD GLU A 72 50.631 -11.379 12.016 1.00 0.00 C ATOM 1102 OE1 GLU A 72 49.517 -11.039 12.382 1.00 0.00 O ATOM 1103 OE2 GLU A 72 51.255 -12.307 12.503 1.00 0.00 O ATOM 0 H GLU A 72 50.178 -8.255 9.857 1.00 0.00 H new ATOM 0 HA GLU A 72 52.721 -7.478 10.607 1.00 0.00 H new ATOM 0 HB2 GLU A 72 52.652 -9.424 12.079 1.00 0.00 H new ATOM 0 HB3 GLU A 72 51.036 -8.751 11.987 1.00 0.00 H new ATOM 0 HG2 GLU A 72 50.558 -10.421 10.086 1.00 0.00 H new ATOM 0 HG3 GLU A 72 52.099 -11.172 10.452 1.00 0.00 H new ATOM 1110 N GLU A 73 52.720 -9.979 8.472 1.00 0.00 N ATOM 1111 CA GLU A 73 53.575 -10.763 7.588 1.00 0.00 C ATOM 1112 C GLU A 73 54.361 -9.849 6.653 1.00 0.00 C ATOM 1113 O GLU A 73 55.573 -9.999 6.497 1.00 0.00 O ATOM 1114 CB GLU A 73 52.726 -11.733 6.764 1.00 0.00 C ATOM 1115 CG GLU A 73 52.067 -12.752 7.694 1.00 0.00 C ATOM 1116 CD GLU A 73 51.325 -13.803 6.875 1.00 0.00 C ATOM 1117 OE1 GLU A 73 51.329 -13.691 5.660 1.00 0.00 O ATOM 1118 OE2 GLU A 73 50.763 -14.704 7.475 1.00 0.00 O ATOM 0 H GLU A 73 51.720 -10.130 8.341 1.00 0.00 H new ATOM 0 HA GLU A 73 54.278 -11.328 8.201 1.00 0.00 H new ATOM 0 HB2 GLU A 73 51.964 -11.185 6.209 1.00 0.00 H new ATOM 0 HB3 GLU A 73 53.349 -12.244 6.030 1.00 0.00 H new ATOM 0 HG2 GLU A 73 52.823 -13.231 8.316 1.00 0.00 H new ATOM 0 HG3 GLU A 73 51.374 -12.247 8.367 1.00 0.00 H new ATOM 1125 N GLU A 74 53.663 -8.903 6.033 1.00 0.00 N ATOM 1126 CA GLU A 74 54.307 -7.969 5.116 1.00 0.00 C ATOM 1127 C GLU A 74 55.491 -7.286 5.793 1.00 0.00 C ATOM 1128 O GLU A 74 56.596 -7.257 5.252 1.00 0.00 O ATOM 1129 CB GLU A 74 53.301 -6.913 4.653 1.00 0.00 C ATOM 1130 CG GLU A 74 53.925 -6.067 3.542 1.00 0.00 C ATOM 1131 CD GLU A 74 52.842 -5.274 2.819 1.00 0.00 C ATOM 1132 OE1 GLU A 74 51.691 -5.390 3.209 1.00 0.00 O ATOM 1133 OE2 GLU A 74 53.178 -4.562 1.887 1.00 0.00 O ATOM 0 H GLU A 74 52.659 -8.763 6.147 1.00 0.00 H new ATOM 0 HA GLU A 74 54.669 -8.527 4.253 1.00 0.00 H new ATOM 0 HB2 GLU A 74 52.393 -7.395 4.291 1.00 0.00 H new ATOM 0 HB3 GLU A 74 53.013 -6.278 5.491 1.00 0.00 H new ATOM 0 HG2 GLU A 74 54.665 -5.387 3.964 1.00 0.00 H new ATOM 0 HG3 GLU A 74 54.449 -6.710 2.835 1.00 0.00 H new ATOM 1140 N ALA A 75 55.251 -6.738 6.979 1.00 0.00 N ATOM 1141 CA ALA A 75 56.306 -6.057 7.722 1.00 0.00 C ATOM 1142 C ALA A 75 57.505 -6.980 7.919 1.00 0.00 C ATOM 1143 O ALA A 75 58.646 -6.590 7.669 1.00 0.00 O ATOM 1144 CB ALA A 75 55.776 -5.607 9.085 1.00 0.00 C ATOM 0 H ALA A 75 54.343 -6.751 7.444 1.00 0.00 H new ATOM 0 HA ALA A 75 56.624 -5.186 7.150 1.00 0.00 H new ATOM 0 HB1 ALA A 75 56.569 -5.099 9.634 1.00 0.00 H new ATOM 0 HB2 ALA A 75 54.939 -4.924 8.942 1.00 0.00 H new ATOM 0 HB3 ALA A 75 55.442 -6.477 9.651 1.00 0.00 H new ATOM 1150 N LEU A 76 57.237 -8.202 8.365 1.00 0.00 N ATOM 1151 CA LEU A 76 58.303 -9.171 8.592 1.00 0.00 C ATOM 1152 C LEU A 76 59.030 -9.481 7.287 1.00 0.00 C ATOM 1153 O LEU A 76 60.260 -9.507 7.242 1.00 0.00 O ATOM 1154 CB LEU A 76 57.721 -10.462 9.173 1.00 0.00 C ATOM 1155 CG LEU A 76 58.860 -11.369 9.642 1.00 0.00 C ATOM 1156 CD1 LEU A 76 58.882 -11.412 11.170 1.00 0.00 C ATOM 1157 CD2 LEU A 76 58.642 -12.782 9.095 1.00 0.00 C ATOM 0 H LEU A 76 56.299 -8.543 8.575 1.00 0.00 H new ATOM 0 HA LEU A 76 59.014 -8.743 9.299 1.00 0.00 H new ATOM 0 HB2 LEU A 76 57.058 -10.232 10.007 1.00 0.00 H new ATOM 0 HB3 LEU A 76 57.121 -10.974 8.421 1.00 0.00 H new ATOM 0 HG LEU A 76 59.810 -10.979 9.277 1.00 0.00 H new ATOM 0 HD11 LEU A 76 59.694 -12.058 11.504 1.00 0.00 H new ATOM 0 HD12 LEU A 76 59.035 -10.406 11.560 1.00 0.00 H new ATOM 0 HD13 LEU A 76 57.933 -11.803 11.537 1.00 0.00 H new ATOM 0 HD21 LEU A 76 59.453 -13.430 9.428 1.00 0.00 H new ATOM 0 HD22 LEU A 76 57.692 -13.171 9.461 1.00 0.00 H new ATOM 0 HD23 LEU A 76 58.626 -12.752 8.006 1.00 0.00 H new ATOM 1169 N ALA A 77 58.262 -9.716 6.228 1.00 0.00 N ATOM 1170 CA ALA A 77 58.845 -10.022 4.927 1.00 0.00 C ATOM 1171 C ALA A 77 59.684 -8.851 4.428 1.00 0.00 C ATOM 1172 O ALA A 77 60.777 -9.042 3.894 1.00 0.00 O ATOM 1173 CB ALA A 77 57.738 -10.327 3.917 1.00 0.00 C ATOM 0 H ALA A 77 57.242 -9.701 6.244 1.00 0.00 H new ATOM 0 HA ALA A 77 59.488 -10.895 5.034 1.00 0.00 H new ATOM 0 HB1 ALA A 77 58.182 -10.554 2.948 1.00 0.00 H new ATOM 0 HB2 ALA A 77 57.158 -11.184 4.260 1.00 0.00 H new ATOM 0 HB3 ALA A 77 57.084 -9.461 3.822 1.00 0.00 H new ATOM 1179 N ALA A 78 59.167 -7.641 4.605 1.00 0.00 N ATOM 1180 CA ALA A 78 59.879 -6.444 4.169 1.00 0.00 C ATOM 1181 C ALA A 78 61.204 -6.308 4.912 1.00 0.00 C ATOM 1182 O ALA A 78 62.233 -5.996 4.314 1.00 0.00 O ATOM 1183 CB ALA A 78 59.020 -5.204 4.421 1.00 0.00 C ATOM 0 H ALA A 78 58.264 -7.462 5.044 1.00 0.00 H new ATOM 0 HA ALA A 78 60.082 -6.534 3.102 1.00 0.00 H new ATOM 0 HB1 ALA A 78 59.559 -4.315 4.093 1.00 0.00 H new ATOM 0 HB2 ALA A 78 58.087 -5.289 3.864 1.00 0.00 H new ATOM 0 HB3 ALA A 78 58.801 -5.123 5.486 1.00 0.00 H new ATOM 1189 N VAL A 79 61.169 -6.544 6.220 1.00 0.00 N ATOM 1190 CA VAL A 79 62.373 -6.446 7.036 1.00 0.00 C ATOM 1191 C VAL A 79 63.372 -7.532 6.651 1.00 0.00 C ATOM 1192 O VAL A 79 64.569 -7.272 6.527 1.00 0.00 O ATOM 1193 CB VAL A 79 62.013 -6.582 8.516 1.00 0.00 C ATOM 1194 CG1 VAL A 79 63.274 -6.416 9.366 1.00 0.00 C ATOM 1195 CG2 VAL A 79 60.999 -5.500 8.894 1.00 0.00 C ATOM 0 H VAL A 79 60.327 -6.802 6.734 1.00 0.00 H new ATOM 0 HA VAL A 79 62.829 -5.471 6.861 1.00 0.00 H new ATOM 0 HB VAL A 79 61.581 -7.566 8.696 1.00 0.00 H new ATOM 0 HG11 VAL A 79 63.017 -6.513 10.421 1.00 0.00 H new ATOM 0 HG12 VAL A 79 63.998 -7.185 9.097 1.00 0.00 H new ATOM 0 HG13 VAL A 79 63.707 -5.432 9.187 1.00 0.00 H new ATOM 0 HG21 VAL A 79 60.741 -5.595 9.949 1.00 0.00 H new ATOM 0 HG22 VAL A 79 61.433 -4.516 8.714 1.00 0.00 H new ATOM 0 HG23 VAL A 79 60.100 -5.617 8.289 1.00 0.00 H new ATOM 1205 N ILE A 80 62.872 -8.749 6.462 1.00 0.00 N ATOM 1206 CA ILE A 80 63.731 -9.868 6.091 1.00 0.00 C ATOM 1207 C ILE A 80 64.352 -9.632 4.718 1.00 0.00 C ATOM 1208 O ILE A 80 65.531 -9.916 4.502 1.00 0.00 O ATOM 1209 CB ILE A 80 62.921 -11.164 6.071 1.00 0.00 C ATOM 1210 CG1 ILE A 80 62.634 -11.607 7.509 1.00 0.00 C ATOM 1211 CG2 ILE A 80 63.718 -12.254 5.354 1.00 0.00 C ATOM 1212 CD1 ILE A 80 61.623 -12.753 7.498 1.00 0.00 C ATOM 0 H ILE A 80 61.884 -8.985 6.559 1.00 0.00 H new ATOM 0 HA ILE A 80 64.529 -9.951 6.829 1.00 0.00 H new ATOM 0 HB ILE A 80 61.981 -10.996 5.546 1.00 0.00 H new ATOM 0 HG12 ILE A 80 63.557 -11.927 7.993 1.00 0.00 H new ATOM 0 HG13 ILE A 80 62.244 -10.770 8.088 1.00 0.00 H new ATOM 0 HG21 ILE A 80 63.140 -13.178 5.340 1.00 0.00 H new ATOM 0 HG22 ILE A 80 63.925 -11.940 4.331 1.00 0.00 H new ATOM 0 HG23 ILE A 80 64.658 -12.422 5.879 1.00 0.00 H new ATOM 0 HD11 ILE A 80 61.419 -13.068 8.521 1.00 0.00 H new ATOM 0 HD12 ILE A 80 60.697 -12.417 7.030 1.00 0.00 H new ATOM 0 HD13 ILE A 80 62.031 -13.592 6.934 1.00 0.00 H new ATOM 1224 N ALA A 81 63.551 -9.113 3.793 1.00 0.00 N ATOM 1225 CA ALA A 81 64.034 -8.844 2.443 1.00 0.00 C ATOM 1226 C ALA A 81 65.115 -7.768 2.464 1.00 0.00 C ATOM 1227 O ALA A 81 66.072 -7.821 1.692 1.00 0.00 O ATOM 1228 CB ALA A 81 62.875 -8.389 1.555 1.00 0.00 C ATOM 0 H ALA A 81 62.573 -8.872 3.951 1.00 0.00 H new ATOM 0 HA ALA A 81 64.461 -9.763 2.041 1.00 0.00 H new ATOM 0 HB1 ALA A 81 63.244 -8.190 0.549 1.00 0.00 H new ATOM 0 HB2 ALA A 81 62.118 -9.172 1.516 1.00 0.00 H new ATOM 0 HB3 ALA A 81 62.436 -7.480 1.967 1.00 0.00 H new ATOM 1234 N LEU A 82 64.956 -6.793 3.354 1.00 0.00 N ATOM 1235 CA LEU A 82 65.926 -5.710 3.466 1.00 0.00 C ATOM 1236 C LEU A 82 67.216 -6.212 4.107 1.00 0.00 C ATOM 1237 O LEU A 82 68.312 -5.799 3.725 1.00 0.00 O ATOM 1238 CB LEU A 82 65.346 -4.574 4.310 1.00 0.00 C ATOM 1239 CG LEU A 82 64.602 -3.592 3.403 1.00 0.00 C ATOM 1240 CD1 LEU A 82 63.548 -2.842 4.219 1.00 0.00 C ATOM 1241 CD2 LEU A 82 65.597 -2.589 2.814 1.00 0.00 C ATOM 0 H LEU A 82 64.171 -6.731 4.003 1.00 0.00 H new ATOM 0 HA LEU A 82 66.148 -5.342 2.464 1.00 0.00 H new ATOM 0 HB2 LEU A 82 64.668 -4.976 5.063 1.00 0.00 H new ATOM 0 HB3 LEU A 82 66.145 -4.059 4.844 1.00 0.00 H new ATOM 0 HG LEU A 82 64.115 -4.140 2.596 1.00 0.00 H new ATOM 0 HD11 LEU A 82 63.018 -2.142 3.573 1.00 0.00 H new ATOM 0 HD12 LEU A 82 62.839 -3.555 4.641 1.00 0.00 H new ATOM 0 HD13 LEU A 82 64.035 -2.294 5.026 1.00 0.00 H new ATOM 0 HD21 LEU A 82 65.068 -1.889 2.167 1.00 0.00 H new ATOM 0 HD22 LEU A 82 66.083 -2.041 3.622 1.00 0.00 H new ATOM 0 HD23 LEU A 82 66.350 -3.122 2.233 1.00 0.00 H new ATOM 1253 N PHE A 83 67.079 -7.104 5.082 1.00 0.00 N ATOM 1254 CA PHE A 83 68.240 -7.657 5.769 1.00 0.00 C ATOM 1255 C PHE A 83 69.039 -8.557 4.832 1.00 0.00 C ATOM 1256 O PHE A 83 70.261 -8.658 4.945 1.00 0.00 O ATOM 1257 CB PHE A 83 67.790 -8.460 6.991 1.00 0.00 C ATOM 1258 CG PHE A 83 67.507 -7.519 8.136 1.00 0.00 C ATOM 1259 CD1 PHE A 83 66.891 -6.286 7.893 1.00 0.00 C ATOM 1260 CD2 PHE A 83 67.860 -7.879 9.443 1.00 0.00 C ATOM 1261 CE1 PHE A 83 66.627 -5.413 8.955 1.00 0.00 C ATOM 1262 CE2 PHE A 83 67.596 -7.006 10.504 1.00 0.00 C ATOM 1263 CZ PHE A 83 66.980 -5.773 10.261 1.00 0.00 C ATOM 0 H PHE A 83 66.181 -7.458 5.413 1.00 0.00 H new ATOM 0 HA PHE A 83 68.875 -6.832 6.091 1.00 0.00 H new ATOM 0 HB2 PHE A 83 66.897 -9.037 6.751 1.00 0.00 H new ATOM 0 HB3 PHE A 83 68.563 -9.173 7.275 1.00 0.00 H new ATOM 0 HD1 PHE A 83 66.619 -6.008 6.885 1.00 0.00 H new ATOM 0 HD2 PHE A 83 68.336 -8.830 9.632 1.00 0.00 H new ATOM 0 HE1 PHE A 83 66.151 -4.462 8.767 1.00 0.00 H new ATOM 0 HE2 PHE A 83 67.868 -7.284 11.512 1.00 0.00 H new ATOM 0 HZ PHE A 83 66.777 -5.100 11.081 1.00 0.00 H new ATOM 1273 N ASN A 84 68.342 -9.207 3.907 1.00 0.00 N ATOM 1274 CA ASN A 84 68.997 -10.097 2.955 1.00 0.00 C ATOM 1275 C ASN A 84 69.605 -9.298 1.806 1.00 0.00 C ATOM 1276 O ASN A 84 70.298 -9.849 0.951 1.00 0.00 O ATOM 1277 CB ASN A 84 67.989 -11.104 2.401 1.00 0.00 C ATOM 1278 CG ASN A 84 67.446 -11.972 3.531 1.00 0.00 C ATOM 1279 OD1 ASN A 84 68.129 -12.190 4.531 1.00 0.00 O ATOM 1280 ND2 ASN A 84 66.249 -12.485 3.431 1.00 0.00 N ATOM 0 H ASN A 84 67.331 -9.136 3.796 1.00 0.00 H new ATOM 0 HA ASN A 84 69.794 -10.630 3.474 1.00 0.00 H new ATOM 0 HB2 ASN A 84 67.170 -10.579 1.909 1.00 0.00 H new ATOM 0 HB3 ASN A 84 68.465 -11.730 1.647 1.00 0.00 H new ATOM 0 HD21 ASN A 84 65.879 -13.067 4.182 1.00 0.00 H new ATOM 0 HD22 ASN A 84 65.684 -12.303 2.601 1.00 0.00 H new ATOM 1287 N SER A 85 69.340 -7.996 1.792 1.00 0.00 N ATOM 1288 CA SER A 85 69.865 -7.130 0.743 1.00 0.00 C ATOM 1289 C SER A 85 68.910 -7.089 -0.445 1.00 0.00 C ATOM 1290 O SER A 85 68.731 -8.119 -1.072 1.00 0.00 O ATOM 1291 CB SER A 85 71.232 -7.638 0.284 1.00 0.00 C ATOM 1292 OG SER A 85 71.806 -8.437 1.310 1.00 0.00 O ATOM 1293 OXT SER A 85 68.372 -6.026 -0.710 1.00 0.00 O ATOM 0 H SER A 85 68.769 -7.520 2.490 1.00 0.00 H new ATOM 0 HA SER A 85 69.968 -6.123 1.146 1.00 0.00 H new ATOM 0 HB2 SER A 85 71.127 -8.221 -0.631 1.00 0.00 H new ATOM 0 HB3 SER A 85 71.886 -6.797 0.053 1.00 0.00 H new ATOM 0 HG SER A 85 71.726 -9.384 1.071 1.00 0.00 H new TER 1299 SER A 85