USER MOD reduce.3.24.130724 H: found=0, std=0, add=654, rem=0, adj=14 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 Set 1.1: A 27 MET CE :methyl 151:sc= -1.37 (180deg=-1.27) USER MOD Set 1.2: A 47 ASN : amide:sc= -0.986 K(o=-2.4,f=-7.5!) USER MOD Single : A 1 MET CE :methyl 158:sc= -0.0577 (180deg=-0.69) USER MOD Single : A 1 MET N :NH3+ -169:sc= -0.147 (180deg=-0.347) 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= -0.18 X(o=-0.18,f=-0.52) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.1 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= -6.04! C(o=-6!,f=-8!) USER MOD Single : A 12 LYS NZ :NH3+ 170:sc= -0.144 (180deg=-0.484) USER MOD Single : A 15 MET CE :methyl -132:sc= -0.0941 (180deg=-2.05) USER MOD Single : A 16 HIS : no HD1:sc= -0.941 K(o=-0.94,f=-2.8!) USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ -168:sc=-0.000702 (180deg=-0.2) USER MOD Single : A 28 GLN : amide:sc= -0.0391 K(o=-0.039,f=-1.7!) USER MOD Single : A 38 ASN : amide:sc= -3.06! C(o=-3.1!,f=-4.7!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot -75:sc= 1.28 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= -0.0452 K(o=-0.045,f=-1.6!) USER MOD Single : A 68 THR OG1 : rot 179:sc= -4.01! USER MOD Single : A 71 GLN : amide:sc= -0.109 X(o=-0.11,f=-0.46) USER MOD Single : A 84 ASN : amide:sc= -0.0124 K(o=-0.012,f=-1.4!) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 48.582 -15.036 16.907 1.00 0.00 N ATOM 2 CA MET A 1 48.344 -14.213 15.688 1.00 0.00 C ATOM 3 C MET A 1 49.639 -13.512 15.290 1.00 0.00 C ATOM 4 O MET A 1 49.771 -13.020 14.169 1.00 0.00 O ATOM 5 CB MET A 1 47.257 -13.176 15.978 1.00 0.00 C ATOM 6 CG MET A 1 47.006 -12.335 14.726 1.00 0.00 C ATOM 7 SD MET A 1 45.636 -11.193 15.032 1.00 0.00 S ATOM 8 CE MET A 1 46.521 -10.069 16.140 1.00 0.00 C ATOM 0 H1 MET A 1 47.763 -15.656 17.073 1.00 0.00 H new ATOM 0 H2 MET A 1 49.434 -15.617 16.773 1.00 0.00 H new ATOM 0 H3 MET A 1 48.715 -14.411 17.727 1.00 0.00 H new ATOM 0 HA MET A 1 48.017 -14.854 14.869 1.00 0.00 H new ATOM 0 HB2 MET A 1 46.337 -13.674 16.285 1.00 0.00 H new ATOM 0 HB3 MET A 1 47.563 -12.534 16.804 1.00 0.00 H new ATOM 0 HG2 MET A 1 47.905 -11.779 14.462 1.00 0.00 H new ATOM 0 HG3 MET A 1 46.772 -12.982 13.881 1.00 0.00 H new ATOM 0 HE1 MET A 1 46.022 -9.100 16.149 1.00 0.00 H new ATOM 0 HE2 MET A 1 46.528 -10.483 17.148 1.00 0.00 H new ATOM 0 HE3 MET A 1 47.546 -9.946 15.791 1.00 0.00 H new ATOM 20 N THR A 2 50.592 -13.470 16.216 1.00 0.00 N ATOM 21 CA THR A 2 51.873 -12.826 15.950 1.00 0.00 C ATOM 22 C THR A 2 52.759 -13.726 15.094 1.00 0.00 C ATOM 23 O THR A 2 52.586 -14.944 15.072 1.00 0.00 O ATOM 24 CB THR A 2 52.583 -12.511 17.268 1.00 0.00 C ATOM 25 OG1 THR A 2 52.812 -13.719 17.980 1.00 0.00 O ATOM 26 CG2 THR A 2 51.713 -11.577 18.109 1.00 0.00 C ATOM 0 H THR A 2 50.503 -13.871 17.150 1.00 0.00 H new ATOM 0 HA THR A 2 51.686 -11.899 15.408 1.00 0.00 H new ATOM 0 HB THR A 2 53.536 -12.025 17.061 1.00 0.00 H new ATOM 0 HG1 THR A 2 53.268 -13.520 18.824 1.00 0.00 H new ATOM 0 HG21 THR A 2 52.221 -11.354 19.047 1.00 0.00 H new ATOM 0 HG22 THR A 2 51.539 -10.651 17.561 1.00 0.00 H new ATOM 0 HG23 THR A 2 50.758 -12.060 18.319 1.00 0.00 H new ATOM 34 N VAL A 3 53.709 -13.117 14.392 1.00 0.00 N ATOM 35 CA VAL A 3 54.618 -13.872 13.538 1.00 0.00 C ATOM 36 C VAL A 3 56.035 -13.319 13.647 1.00 0.00 C ATOM 37 O VAL A 3 56.275 -12.143 13.377 1.00 0.00 O ATOM 38 CB VAL A 3 54.150 -13.800 12.084 1.00 0.00 C ATOM 39 CG1 VAL A 3 54.323 -12.372 11.562 1.00 0.00 C ATOM 40 CG2 VAL A 3 54.986 -14.758 11.232 1.00 0.00 C ATOM 0 H VAL A 3 53.869 -12.110 14.397 1.00 0.00 H new ATOM 0 HA VAL A 3 54.618 -14.911 13.867 1.00 0.00 H new ATOM 0 HB VAL A 3 53.099 -14.083 12.026 1.00 0.00 H new ATOM 0 HG11 VAL A 3 53.989 -12.321 10.526 1.00 0.00 H new ATOM 0 HG12 VAL A 3 53.729 -11.688 12.169 1.00 0.00 H new ATOM 0 HG13 VAL A 3 55.374 -12.088 11.619 1.00 0.00 H new ATOM 0 HG21 VAL A 3 54.653 -14.708 10.195 1.00 0.00 H new ATOM 0 HG22 VAL A 3 56.037 -14.474 11.290 1.00 0.00 H new ATOM 0 HG23 VAL A 3 54.864 -15.776 11.603 1.00 0.00 H new ATOM 50 N LYS A 4 56.971 -14.176 14.043 1.00 0.00 N ATOM 51 CA LYS A 4 58.362 -13.760 14.185 1.00 0.00 C ATOM 52 C LYS A 4 59.276 -14.653 13.352 1.00 0.00 C ATOM 53 O LYS A 4 58.840 -15.662 12.799 1.00 0.00 O ATOM 54 CB LYS A 4 58.781 -13.827 15.654 1.00 0.00 C ATOM 55 CG LYS A 4 58.438 -15.206 16.221 1.00 0.00 C ATOM 56 CD LYS A 4 58.594 -15.187 17.743 1.00 0.00 C ATOM 57 CE LYS A 4 58.343 -16.589 18.300 1.00 0.00 C ATOM 58 NZ LYS A 4 58.530 -16.576 19.779 1.00 0.00 N ATOM 0 H LYS A 4 56.794 -15.155 14.270 1.00 0.00 H new ATOM 0 HA LYS A 4 58.452 -12.734 13.829 1.00 0.00 H new ATOM 0 HB2 LYS A 4 59.851 -13.640 15.747 1.00 0.00 H new ATOM 0 HB3 LYS A 4 58.271 -13.051 16.224 1.00 0.00 H new ATOM 0 HG2 LYS A 4 57.417 -15.477 15.953 1.00 0.00 H new ATOM 0 HG3 LYS A 4 59.093 -15.962 15.787 1.00 0.00 H new ATOM 0 HD2 LYS A 4 59.595 -14.851 18.012 1.00 0.00 H new ATOM 0 HD3 LYS A 4 57.892 -14.479 18.182 1.00 0.00 H new ATOM 0 HE2 LYS A 4 57.332 -16.915 18.053 1.00 0.00 H new ATOM 0 HE3 LYS A 4 59.028 -17.302 17.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 58.360 -17.529 20.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 59.502 -16.283 20.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 57.859 -15.907 20.208 1.00 0.00 H new ATOM 72 N GLN A 5 60.548 -14.273 13.268 1.00 0.00 N ATOM 73 CA GLN A 5 61.517 -15.047 12.501 1.00 0.00 C ATOM 74 C GLN A 5 62.940 -14.643 12.875 1.00 0.00 C ATOM 75 O GLN A 5 63.270 -13.458 12.905 1.00 0.00 O ATOM 76 CB GLN A 5 61.297 -14.823 11.004 1.00 0.00 C ATOM 77 CG GLN A 5 60.967 -16.157 10.331 1.00 0.00 C ATOM 78 CD GLN A 5 62.154 -17.107 10.449 1.00 0.00 C ATOM 79 OE1 GLN A 5 62.182 -17.961 11.336 1.00 0.00 O ATOM 80 NE2 GLN A 5 63.143 -17.010 9.603 1.00 0.00 N ATOM 0 H GLN A 5 60.929 -13.441 13.718 1.00 0.00 H new ATOM 0 HA GLN A 5 61.378 -16.103 12.734 1.00 0.00 H new ATOM 0 HB2 GLN A 5 60.484 -14.114 10.847 1.00 0.00 H new ATOM 0 HB3 GLN A 5 62.190 -14.388 10.555 1.00 0.00 H new ATOM 0 HG2 GLN A 5 60.087 -16.601 10.797 1.00 0.00 H new ATOM 0 HG3 GLN A 5 60.724 -15.994 9.281 1.00 0.00 H new ATOM 0 HE21 GLN A 5 63.119 -16.302 8.869 1.00 0.00 H new ATOM 0 HE22 GLN A 5 63.940 -17.642 9.676 1.00 0.00 H new ATOM 89 N THR A 6 63.776 -15.635 13.161 1.00 0.00 N ATOM 90 CA THR A 6 65.161 -15.370 13.533 1.00 0.00 C ATOM 91 C THR A 6 65.995 -15.039 12.299 1.00 0.00 C ATOM 92 O THR A 6 65.991 -15.781 11.317 1.00 0.00 O ATOM 93 CB THR A 6 65.755 -16.592 14.239 1.00 0.00 C ATOM 94 OG1 THR A 6 64.736 -17.560 14.443 1.00 0.00 O ATOM 95 CG2 THR A 6 66.339 -16.170 15.587 1.00 0.00 C ATOM 0 H THR A 6 63.522 -16.623 13.143 1.00 0.00 H new ATOM 0 HA THR A 6 65.178 -14.515 14.209 1.00 0.00 H new ATOM 0 HB THR A 6 66.545 -17.021 13.622 1.00 0.00 H new ATOM 0 HG1 THR A 6 65.115 -18.344 14.893 1.00 0.00 H new ATOM 0 HG21 THR A 6 66.762 -17.040 16.089 1.00 0.00 H new ATOM 0 HG22 THR A 6 67.121 -15.427 15.428 1.00 0.00 H new ATOM 0 HG23 THR A 6 65.551 -15.741 16.206 1.00 0.00 H new ATOM 103 N VAL A 7 66.709 -13.920 12.358 1.00 0.00 N ATOM 104 CA VAL A 7 67.547 -13.499 11.239 1.00 0.00 C ATOM 105 C VAL A 7 68.942 -13.126 11.727 1.00 0.00 C ATOM 106 O VAL A 7 69.095 -12.302 12.630 1.00 0.00 O ATOM 107 CB VAL A 7 66.913 -12.300 10.534 1.00 0.00 C ATOM 108 CG1 VAL A 7 67.832 -11.824 9.409 1.00 0.00 C ATOM 109 CG2 VAL A 7 65.561 -12.710 9.947 1.00 0.00 C ATOM 0 H VAL A 7 66.725 -13.292 13.162 1.00 0.00 H new ATOM 0 HA VAL A 7 67.629 -14.329 10.538 1.00 0.00 H new ATOM 0 HB VAL A 7 66.769 -11.492 11.252 1.00 0.00 H new ATOM 0 HG11 VAL A 7 67.379 -10.969 8.907 1.00 0.00 H new ATOM 0 HG12 VAL A 7 68.796 -11.532 9.826 1.00 0.00 H new ATOM 0 HG13 VAL A 7 67.977 -12.632 8.691 1.00 0.00 H new ATOM 0 HG21 VAL A 7 65.108 -11.855 9.444 1.00 0.00 H new ATOM 0 HG22 VAL A 7 65.706 -13.518 9.230 1.00 0.00 H new ATOM 0 HG23 VAL A 7 64.904 -13.049 10.748 1.00 0.00 H new ATOM 119 N GLU A 8 69.957 -13.737 11.126 1.00 0.00 N ATOM 120 CA GLU A 8 71.337 -13.461 11.508 1.00 0.00 C ATOM 121 C GLU A 8 71.740 -12.053 11.081 1.00 0.00 C ATOM 122 O GLU A 8 71.433 -11.619 9.971 1.00 0.00 O ATOM 123 CB GLU A 8 72.273 -14.481 10.857 1.00 0.00 C ATOM 124 CG GLU A 8 71.843 -15.895 11.253 1.00 0.00 C ATOM 125 CD GLU A 8 70.837 -16.436 10.243 1.00 0.00 C ATOM 126 OE1 GLU A 8 70.274 -15.639 9.512 1.00 0.00 O ATOM 127 OE2 GLU A 8 70.645 -17.640 10.217 1.00 0.00 O ATOM 0 H GLU A 8 69.852 -14.422 10.378 1.00 0.00 H new ATOM 0 HA GLU A 8 71.416 -13.536 12.593 1.00 0.00 H new ATOM 0 HB2 GLU A 8 72.249 -14.372 9.773 1.00 0.00 H new ATOM 0 HB3 GLU A 8 73.301 -14.300 11.172 1.00 0.00 H new ATOM 0 HG2 GLU A 8 72.713 -16.550 11.298 1.00 0.00 H new ATOM 0 HG3 GLU A 8 71.401 -15.884 12.249 1.00 0.00 H new ATOM 134 N ILE A 9 72.428 -11.344 11.971 1.00 0.00 N ATOM 135 CA ILE A 9 72.867 -9.985 11.675 1.00 0.00 C ATOM 136 C ILE A 9 74.229 -9.999 10.987 1.00 0.00 C ATOM 137 O ILE A 9 75.215 -10.471 11.551 1.00 0.00 O ATOM 138 CB ILE A 9 72.956 -9.173 12.968 1.00 0.00 C ATOM 139 CG1 ILE A 9 71.559 -8.686 13.361 1.00 0.00 C ATOM 140 CG2 ILE A 9 73.872 -7.966 12.750 1.00 0.00 C ATOM 141 CD1 ILE A 9 70.881 -8.044 12.150 1.00 0.00 C ATOM 0 H ILE A 9 72.692 -11.685 12.896 1.00 0.00 H new ATOM 0 HA ILE A 9 72.139 -9.526 11.006 1.00 0.00 H new ATOM 0 HB ILE A 9 73.361 -9.799 13.763 1.00 0.00 H new ATOM 0 HG12 ILE A 9 70.961 -9.521 13.725 1.00 0.00 H new ATOM 0 HG13 ILE A 9 71.630 -7.965 14.176 1.00 0.00 H new ATOM 0 HG21 ILE A 9 73.936 -7.387 13.671 1.00 0.00 H new ATOM 0 HG22 ILE A 9 74.867 -8.311 12.468 1.00 0.00 H new ATOM 0 HG23 ILE A 9 73.466 -7.340 11.955 1.00 0.00 H new ATOM 0 HD11 ILE A 9 69.886 -7.698 12.431 1.00 0.00 H new ATOM 0 HD12 ILE A 9 71.476 -7.198 11.806 1.00 0.00 H new ATOM 0 HD13 ILE A 9 70.797 -8.778 11.349 1.00 0.00 H new ATOM 153 N THR A 10 74.272 -9.479 9.765 1.00 0.00 N ATOM 154 CA THR A 10 75.519 -9.436 9.009 1.00 0.00 C ATOM 155 C THR A 10 75.665 -8.095 8.297 1.00 0.00 C ATOM 156 O THR A 10 74.876 -7.761 7.413 1.00 0.00 O ATOM 157 CB THR A 10 75.546 -10.568 7.980 1.00 0.00 C ATOM 158 OG1 THR A 10 76.858 -10.689 7.447 1.00 0.00 O ATOM 159 CG2 THR A 10 74.561 -10.259 6.851 1.00 0.00 C ATOM 0 H THR A 10 73.466 -9.085 9.280 1.00 0.00 H new ATOM 0 HA THR A 10 76.349 -9.559 9.705 1.00 0.00 H new ATOM 0 HB THR A 10 75.260 -11.504 8.461 1.00 0.00 H new ATOM 0 HG1 THR A 10 76.878 -11.415 6.789 1.00 0.00 H new ATOM 0 HG21 THR A 10 74.582 -11.066 6.119 1.00 0.00 H new ATOM 0 HG22 THR A 10 73.555 -10.166 7.261 1.00 0.00 H new ATOM 0 HG23 THR A 10 74.843 -9.324 6.368 1.00 0.00 H new ATOM 167 N ASN A 11 76.677 -7.329 8.690 1.00 0.00 N ATOM 168 CA ASN A 11 76.915 -6.025 8.083 1.00 0.00 C ATOM 169 C ASN A 11 75.931 -4.994 8.629 1.00 0.00 C ATOM 170 O ASN A 11 75.765 -3.916 8.059 1.00 0.00 O ATOM 171 CB ASN A 11 76.766 -6.120 6.564 1.00 0.00 C ATOM 172 CG ASN A 11 77.055 -4.766 5.925 1.00 0.00 C ATOM 173 OD1 ASN A 11 77.055 -3.743 6.610 1.00 0.00 O ATOM 174 ND2 ASN A 11 77.303 -4.699 4.645 1.00 0.00 N ATOM 0 H ASN A 11 77.341 -7.586 9.420 1.00 0.00 H new ATOM 0 HA ASN A 11 77.929 -5.710 8.329 1.00 0.00 H new ATOM 0 HB2 ASN A 11 77.451 -6.871 6.170 1.00 0.00 H new ATOM 0 HB3 ASN A 11 75.757 -6.444 6.309 1.00 0.00 H new ATOM 0 HD21 ASN A 11 77.498 -3.797 4.210 1.00 0.00 H new ATOM 0 HD22 ASN A 11 77.302 -5.548 4.080 1.00 0.00 H new ATOM 181 N LYS A 12 75.280 -5.336 9.737 1.00 0.00 N ATOM 182 CA LYS A 12 74.313 -4.434 10.352 1.00 0.00 C ATOM 183 C LYS A 12 72.892 -4.835 9.974 1.00 0.00 C ATOM 184 O LYS A 12 72.683 -5.812 9.255 1.00 0.00 O ATOM 185 CB LYS A 12 74.578 -2.997 9.899 1.00 0.00 C ATOM 186 CG LYS A 12 74.390 -2.045 11.082 1.00 0.00 C ATOM 187 CD LYS A 12 73.870 -0.698 10.578 1.00 0.00 C ATOM 188 CE LYS A 12 73.507 0.189 11.770 1.00 0.00 C ATOM 189 NZ LYS A 12 74.735 0.485 12.561 1.00 0.00 N ATOM 0 H LYS A 12 75.403 -6.224 10.224 1.00 0.00 H new ATOM 0 HA LYS A 12 74.421 -4.499 11.435 1.00 0.00 H new ATOM 0 HB2 LYS A 12 75.591 -2.910 9.506 1.00 0.00 H new ATOM 0 HB3 LYS A 12 73.898 -2.728 9.091 1.00 0.00 H new ATOM 0 HG2 LYS A 12 73.688 -2.473 11.798 1.00 0.00 H new ATOM 0 HG3 LYS A 12 75.336 -1.908 11.606 1.00 0.00 H new ATOM 0 HD2 LYS A 12 74.628 -0.210 9.966 1.00 0.00 H new ATOM 0 HD3 LYS A 12 72.996 -0.848 9.944 1.00 0.00 H new ATOM 0 HE2 LYS A 12 73.053 1.117 11.422 1.00 0.00 H new ATOM 0 HE3 LYS A 12 72.769 -0.311 12.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 74.524 1.219 13.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 75.054 -0.379 13.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 75.485 0.822 11.924 1.00 0.00 H new ATOM 203 N LEU A 13 71.917 -4.077 10.465 1.00 0.00 N ATOM 204 CA LEU A 13 70.517 -4.364 10.172 1.00 0.00 C ATOM 205 C LEU A 13 70.288 -4.427 8.666 1.00 0.00 C ATOM 206 O LEU A 13 69.175 -4.684 8.207 1.00 0.00 O ATOM 207 CB LEU A 13 69.623 -3.283 10.782 1.00 0.00 C ATOM 208 CG LEU A 13 69.785 -3.284 12.303 1.00 0.00 C ATOM 209 CD1 LEU A 13 69.410 -1.909 12.857 1.00 0.00 C ATOM 210 CD2 LEU A 13 68.865 -4.345 12.911 1.00 0.00 C ATOM 0 H LEU A 13 72.068 -3.265 11.063 1.00 0.00 H new ATOM 0 HA LEU A 13 70.265 -5.331 10.607 1.00 0.00 H new ATOM 0 HB2 LEU A 13 69.889 -2.306 10.378 1.00 0.00 H new ATOM 0 HB3 LEU A 13 68.582 -3.465 10.517 1.00 0.00 H new ATOM 0 HG LEU A 13 70.821 -3.509 12.558 1.00 0.00 H new ATOM 0 HD11 LEU A 13 69.525 -1.910 13.941 1.00 0.00 H new ATOM 0 HD12 LEU A 13 70.063 -1.152 12.423 1.00 0.00 H new ATOM 0 HD13 LEU A 13 68.374 -1.684 12.603 1.00 0.00 H new ATOM 0 HD21 LEU A 13 68.979 -4.347 13.995 1.00 0.00 H new ATOM 0 HD22 LEU A 13 67.830 -4.119 12.655 1.00 0.00 H new ATOM 0 HD23 LEU A 13 69.130 -5.326 12.516 1.00 0.00 H new ATOM 222 N GLY A 14 71.349 -4.190 7.901 1.00 0.00 N ATOM 223 CA GLY A 14 71.253 -4.222 6.446 1.00 0.00 C ATOM 224 C GLY A 14 72.415 -3.470 5.806 1.00 0.00 C ATOM 225 O GLY A 14 73.362 -3.077 6.487 1.00 0.00 O ATOM 0 H GLY A 14 72.279 -3.975 8.261 1.00 0.00 H new ATOM 0 HA2 GLY A 14 71.250 -5.256 6.101 1.00 0.00 H new ATOM 0 HA3 GLY A 14 70.309 -3.777 6.130 1.00 0.00 H new ATOM 229 N MET A 15 72.335 -3.272 4.495 1.00 0.00 N ATOM 230 CA MET A 15 73.387 -2.564 3.773 1.00 0.00 C ATOM 231 C MET A 15 73.593 -1.171 4.358 1.00 0.00 C ATOM 232 O MET A 15 74.723 -0.696 4.474 1.00 0.00 O ATOM 233 CB MET A 15 73.018 -2.449 2.293 1.00 0.00 C ATOM 234 CG MET A 15 73.100 -3.829 1.638 1.00 0.00 C ATOM 235 SD MET A 15 72.981 -3.652 -0.160 1.00 0.00 S ATOM 236 CE MET A 15 71.241 -3.158 -0.223 1.00 0.00 C ATOM 0 H MET A 15 71.559 -3.589 3.914 1.00 0.00 H new ATOM 0 HA MET A 15 74.314 -3.128 3.873 1.00 0.00 H new ATOM 0 HB2 MET A 15 72.011 -2.044 2.189 1.00 0.00 H new ATOM 0 HB3 MET A 15 73.694 -1.756 1.792 1.00 0.00 H new ATOM 0 HG2 MET A 15 74.039 -4.315 1.905 1.00 0.00 H new ATOM 0 HG3 MET A 15 72.296 -4.466 2.005 1.00 0.00 H new ATOM 0 HE1 MET A 15 70.723 -3.747 -0.979 1.00 0.00 H new ATOM 0 HE2 MET A 15 70.779 -3.328 0.749 1.00 0.00 H new ATOM 0 HE3 MET A 15 71.172 -2.100 -0.477 1.00 0.00 H new ATOM 246 N HIS A 16 72.493 -0.522 4.728 1.00 0.00 N ATOM 247 CA HIS A 16 72.566 0.817 5.301 1.00 0.00 C ATOM 248 C HIS A 16 71.531 0.981 6.409 1.00 0.00 C ATOM 249 O HIS A 16 70.778 0.055 6.711 1.00 0.00 O ATOM 250 CB HIS A 16 72.320 1.865 4.213 1.00 0.00 C ATOM 251 CG HIS A 16 73.496 1.900 3.276 1.00 0.00 C ATOM 252 ND1 HIS A 16 73.675 0.954 2.279 1.00 0.00 N ATOM 253 CD2 HIS A 16 74.561 2.761 3.171 1.00 0.00 C ATOM 254 CE1 HIS A 16 74.809 1.264 1.624 1.00 0.00 C ATOM 255 NE2 HIS A 16 75.388 2.358 2.127 1.00 0.00 N ATOM 0 H HIS A 16 71.549 -0.898 4.642 1.00 0.00 H new ATOM 0 HA HIS A 16 73.561 0.958 5.723 1.00 0.00 H new ATOM 0 HB2 HIS A 16 71.410 1.627 3.663 1.00 0.00 H new ATOM 0 HB3 HIS A 16 72.172 2.846 4.665 1.00 0.00 H new ATOM 0 HD2 HIS A 16 74.731 3.620 3.803 1.00 0.00 H new ATOM 0 HE1 HIS A 16 75.203 0.698 0.793 1.00 0.00 H new ATOM 0 HE2 HIS A 16 76.251 2.802 1.813 1.00 0.00 H new ATOM 263 N ALA A 17 71.499 2.166 7.012 1.00 0.00 N ATOM 264 CA ALA A 17 70.551 2.439 8.086 1.00 0.00 C ATOM 265 C ALA A 17 69.149 2.647 7.523 1.00 0.00 C ATOM 266 O ALA A 17 68.196 2.866 8.271 1.00 0.00 O ATOM 267 CB ALA A 17 70.984 3.686 8.859 1.00 0.00 C ATOM 0 H ALA A 17 72.113 2.946 6.778 1.00 0.00 H new ATOM 0 HA ALA A 17 70.536 1.582 8.759 1.00 0.00 H new ATOM 0 HB1 ALA A 17 70.271 3.884 9.660 1.00 0.00 H new ATOM 0 HB2 ALA A 17 71.974 3.524 9.286 1.00 0.00 H new ATOM 0 HB3 ALA A 17 71.016 4.540 8.183 1.00 0.00 H new ATOM 273 N ARG A 18 69.031 2.578 6.201 1.00 0.00 N ATOM 274 CA ARG A 18 67.741 2.760 5.548 1.00 0.00 C ATOM 275 C ARG A 18 66.735 1.730 6.053 1.00 0.00 C ATOM 276 O ARG A 18 65.611 2.072 6.422 1.00 0.00 O ATOM 277 CB ARG A 18 67.899 2.621 4.033 1.00 0.00 C ATOM 278 CG ARG A 18 67.886 4.009 3.389 1.00 0.00 C ATOM 279 CD ARG A 18 68.188 3.882 1.894 1.00 0.00 C ATOM 280 NE ARG A 18 68.157 5.193 1.260 1.00 0.00 N ATOM 281 CZ ARG A 18 69.187 6.028 1.353 1.00 0.00 C ATOM 282 NH1 ARG A 18 69.136 7.197 0.775 1.00 0.00 N ATOM 283 NH2 ARG A 18 70.251 5.678 2.025 1.00 0.00 N ATOM 0 H ARG A 18 69.808 2.399 5.565 1.00 0.00 H new ATOM 0 HA ARG A 18 67.372 3.758 5.785 1.00 0.00 H new ATOM 0 HB2 ARG A 18 68.832 2.109 3.800 1.00 0.00 H new ATOM 0 HB3 ARG A 18 67.091 2.012 3.627 1.00 0.00 H new ATOM 0 HG2 ARG A 18 66.914 4.480 3.536 1.00 0.00 H new ATOM 0 HG3 ARG A 18 68.627 4.650 3.867 1.00 0.00 H new ATOM 0 HD2 ARG A 18 69.167 3.424 1.751 1.00 0.00 H new ATOM 0 HD3 ARG A 18 67.457 3.225 1.423 1.00 0.00 H new ATOM 0 HE ARG A 18 67.329 5.476 0.735 1.00 0.00 H new ATOM 0 HH11 ARG A 18 68.305 7.471 0.251 1.00 0.00 H new ATOM 0 HH12 ARG A 18 69.927 7.837 0.847 1.00 0.00 H new ATOM 0 HH21 ARG A 18 70.291 4.765 2.478 1.00 0.00 H new ATOM 0 HH22 ARG A 18 71.042 6.318 2.097 1.00 0.00 H new ATOM 297 N PRO A 19 67.122 0.484 6.072 1.00 0.00 N ATOM 298 CA PRO A 19 66.245 -0.628 6.540 1.00 0.00 C ATOM 299 C PRO A 19 65.571 -0.307 7.872 1.00 0.00 C ATOM 300 O PRO A 19 64.344 -0.319 7.977 1.00 0.00 O ATOM 301 CB PRO A 19 67.203 -1.811 6.684 1.00 0.00 C ATOM 302 CG PRO A 19 68.335 -1.522 5.753 1.00 0.00 C ATOM 303 CD PRO A 19 68.444 -0.001 5.648 1.00 0.00 C ATOM 0 HA PRO A 19 65.425 -0.821 5.848 1.00 0.00 H new ATOM 0 HB2 PRO A 19 67.555 -1.909 7.711 1.00 0.00 H new ATOM 0 HB3 PRO A 19 66.711 -2.748 6.425 1.00 0.00 H new ATOM 0 HG2 PRO A 19 69.264 -1.951 6.129 1.00 0.00 H new ATOM 0 HG3 PRO A 19 68.153 -1.965 4.774 1.00 0.00 H new ATOM 0 HD2 PRO A 19 69.235 0.387 6.289 1.00 0.00 H new ATOM 0 HD3 PRO A 19 68.676 0.313 4.630 1.00 0.00 H new ATOM 311 N ALA A 20 66.382 -0.020 8.886 1.00 0.00 N ATOM 312 CA ALA A 20 65.852 0.303 10.206 1.00 0.00 C ATOM 313 C ALA A 20 64.960 1.538 10.139 1.00 0.00 C ATOM 314 O ALA A 20 63.881 1.568 10.730 1.00 0.00 O ATOM 315 CB ALA A 20 67.003 0.554 11.182 1.00 0.00 C ATOM 0 H ALA A 20 67.400 -0.004 8.820 1.00 0.00 H new ATOM 0 HA ALA A 20 65.257 -0.541 10.555 1.00 0.00 H new ATOM 0 HB1 ALA A 20 66.600 0.795 12.166 1.00 0.00 H new ATOM 0 HB2 ALA A 20 67.622 -0.340 11.252 1.00 0.00 H new ATOM 0 HB3 ALA A 20 67.608 1.387 10.824 1.00 0.00 H new ATOM 321 N MET A 21 65.418 2.554 9.415 1.00 0.00 N ATOM 322 CA MET A 21 64.652 3.787 9.278 1.00 0.00 C ATOM 323 C MET A 21 63.380 3.542 8.473 1.00 0.00 C ATOM 324 O MET A 21 62.314 4.059 8.805 1.00 0.00 O ATOM 325 CB MET A 21 65.501 4.854 8.584 1.00 0.00 C ATOM 326 CG MET A 21 66.510 5.430 9.578 1.00 0.00 C ATOM 327 SD MET A 21 67.444 6.763 8.787 1.00 0.00 S ATOM 328 CE MET A 21 68.526 7.146 10.187 1.00 0.00 C ATOM 0 H MET A 21 66.309 2.549 8.918 1.00 0.00 H new ATOM 0 HA MET A 21 64.376 4.134 10.274 1.00 0.00 H new ATOM 0 HB2 MET A 21 66.022 4.421 7.731 1.00 0.00 H new ATOM 0 HB3 MET A 21 64.862 5.648 8.197 1.00 0.00 H new ATOM 0 HG2 MET A 21 65.993 5.808 10.460 1.00 0.00 H new ATOM 0 HG3 MET A 21 67.189 4.648 9.918 1.00 0.00 H new ATOM 0 HE1 MET A 21 69.200 7.958 9.914 1.00 0.00 H new ATOM 0 HE2 MET A 21 67.921 7.448 11.042 1.00 0.00 H new ATOM 0 HE3 MET A 21 69.109 6.263 10.448 1.00 0.00 H new ATOM 338 N LYS A 22 63.501 2.748 7.413 1.00 0.00 N ATOM 339 CA LYS A 22 62.352 2.441 6.567 1.00 0.00 C ATOM 340 C LYS A 22 61.271 1.728 7.372 1.00 0.00 C ATOM 341 O LYS A 22 60.079 1.967 7.176 1.00 0.00 O ATOM 342 CB LYS A 22 62.787 1.557 5.397 1.00 0.00 C ATOM 343 CG LYS A 22 61.651 1.465 4.377 1.00 0.00 C ATOM 344 CD LYS A 22 61.716 2.666 3.430 1.00 0.00 C ATOM 345 CE LYS A 22 60.444 2.716 2.582 1.00 0.00 C ATOM 346 NZ LYS A 22 60.380 1.510 1.709 1.00 0.00 N ATOM 0 H LYS A 22 64.374 2.309 7.121 1.00 0.00 H new ATOM 0 HA LYS A 22 61.946 3.377 6.183 1.00 0.00 H new ATOM 0 HB2 LYS A 22 63.679 1.971 4.927 1.00 0.00 H new ATOM 0 HB3 LYS A 22 63.048 0.562 5.757 1.00 0.00 H new ATOM 0 HG2 LYS A 22 61.731 0.537 3.811 1.00 0.00 H new ATOM 0 HG3 LYS A 22 60.689 1.444 4.889 1.00 0.00 H new ATOM 0 HD2 LYS A 22 61.821 3.588 4.002 1.00 0.00 H new ATOM 0 HD3 LYS A 22 62.592 2.588 2.786 1.00 0.00 H new ATOM 0 HE2 LYS A 22 59.566 2.758 3.227 1.00 0.00 H new ATOM 0 HE3 LYS A 22 60.436 3.620 1.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 59.635 1.638 0.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 61.296 1.376 1.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 60.165 0.673 2.288 1.00 0.00 H new ATOM 360 N LEU A 23 61.695 0.854 8.279 1.00 0.00 N ATOM 361 CA LEU A 23 60.752 0.113 9.108 1.00 0.00 C ATOM 362 C LEU A 23 59.724 1.057 9.725 1.00 0.00 C ATOM 363 O LEU A 23 58.525 0.778 9.714 1.00 0.00 O ATOM 364 CB LEU A 23 61.500 -0.626 10.220 1.00 0.00 C ATOM 365 CG LEU A 23 61.403 -2.134 9.986 1.00 0.00 C ATOM 366 CD1 LEU A 23 62.296 -2.866 10.989 1.00 0.00 C ATOM 367 CD2 LEU A 23 59.952 -2.585 10.171 1.00 0.00 C ATOM 0 H LEU A 23 62.677 0.643 8.458 1.00 0.00 H new ATOM 0 HA LEU A 23 60.234 -0.609 8.477 1.00 0.00 H new ATOM 0 HB2 LEU A 23 62.545 -0.317 10.238 1.00 0.00 H new ATOM 0 HB3 LEU A 23 61.075 -0.370 11.191 1.00 0.00 H new ATOM 0 HG LEU A 23 61.731 -2.366 8.973 1.00 0.00 H new ATOM 0 HD11 LEU A 23 62.226 -3.941 10.822 1.00 0.00 H new ATOM 0 HD12 LEU A 23 63.329 -2.545 10.858 1.00 0.00 H new ATOM 0 HD13 LEU A 23 61.970 -2.635 12.003 1.00 0.00 H new ATOM 0 HD21 LEU A 23 59.881 -3.660 10.005 1.00 0.00 H new ATOM 0 HD22 LEU A 23 59.625 -2.352 11.184 1.00 0.00 H new ATOM 0 HD23 LEU A 23 59.315 -2.064 9.456 1.00 0.00 H new ATOM 379 N PHE A 24 60.202 2.175 10.261 1.00 0.00 N ATOM 380 CA PHE A 24 59.315 3.154 10.878 1.00 0.00 C ATOM 381 C PHE A 24 58.261 3.624 9.880 1.00 0.00 C ATOM 382 O PHE A 24 57.095 3.801 10.232 1.00 0.00 O ATOM 383 CB PHE A 24 60.124 4.354 11.373 1.00 0.00 C ATOM 384 CG PHE A 24 60.618 4.085 12.775 1.00 0.00 C ATOM 385 CD1 PHE A 24 61.752 3.289 12.977 1.00 0.00 C ATOM 386 CD2 PHE A 24 59.941 4.629 13.872 1.00 0.00 C ATOM 387 CE1 PHE A 24 62.210 3.038 14.276 1.00 0.00 C ATOM 388 CE2 PHE A 24 60.399 4.379 15.171 1.00 0.00 C ATOM 389 CZ PHE A 24 61.532 3.584 15.373 1.00 0.00 C ATOM 0 H PHE A 24 61.191 2.425 10.281 1.00 0.00 H new ATOM 0 HA PHE A 24 58.814 2.682 11.723 1.00 0.00 H new ATOM 0 HB2 PHE A 24 60.968 4.537 10.708 1.00 0.00 H new ATOM 0 HB3 PHE A 24 59.507 5.252 11.360 1.00 0.00 H new ATOM 0 HD1 PHE A 24 62.274 2.868 12.130 1.00 0.00 H new ATOM 0 HD2 PHE A 24 59.065 5.242 13.717 1.00 0.00 H new ATOM 0 HE1 PHE A 24 63.085 2.424 14.432 1.00 0.00 H new ATOM 0 HE2 PHE A 24 59.877 4.800 16.018 1.00 0.00 H new ATOM 0 HZ PHE A 24 61.884 3.391 16.376 1.00 0.00 H new ATOM 399 N GLU A 25 58.681 3.825 8.636 1.00 0.00 N ATOM 400 CA GLU A 25 57.764 4.274 7.595 1.00 0.00 C ATOM 401 C GLU A 25 56.825 3.144 7.185 1.00 0.00 C ATOM 402 O GLU A 25 55.659 3.377 6.867 1.00 0.00 O ATOM 403 CB GLU A 25 58.553 4.752 6.374 1.00 0.00 C ATOM 404 CG GLU A 25 59.298 6.043 6.720 1.00 0.00 C ATOM 405 CD GLU A 25 60.145 6.490 5.534 1.00 0.00 C ATOM 406 OE1 GLU A 25 60.269 5.720 4.596 1.00 0.00 O ATOM 407 OE2 GLU A 25 60.660 7.595 5.582 1.00 0.00 O ATOM 0 H GLU A 25 59.642 3.686 8.325 1.00 0.00 H new ATOM 0 HA GLU A 25 57.171 5.099 7.990 1.00 0.00 H new ATOM 0 HB2 GLU A 25 59.261 3.984 6.062 1.00 0.00 H new ATOM 0 HB3 GLU A 25 57.878 4.923 5.536 1.00 0.00 H new ATOM 0 HG2 GLU A 25 58.585 6.824 6.983 1.00 0.00 H new ATOM 0 HG3 GLU A 25 59.933 5.884 7.591 1.00 0.00 H new ATOM 414 N LEU A 26 57.342 1.919 7.197 1.00 0.00 N ATOM 415 CA LEU A 26 56.540 0.759 6.826 1.00 0.00 C ATOM 416 C LEU A 26 55.468 0.492 7.878 1.00 0.00 C ATOM 417 O LEU A 26 54.324 0.177 7.546 1.00 0.00 O ATOM 418 CB LEU A 26 57.438 -0.472 6.686 1.00 0.00 C ATOM 419 CG LEU A 26 57.344 -1.012 5.257 1.00 0.00 C ATOM 420 CD1 LEU A 26 57.978 -0.012 4.290 1.00 0.00 C ATOM 421 CD2 LEU A 26 58.088 -2.346 5.169 1.00 0.00 C ATOM 0 H LEU A 26 58.305 1.705 7.457 1.00 0.00 H new ATOM 0 HA LEU A 26 56.054 0.965 5.872 1.00 0.00 H new ATOM 0 HB2 LEU A 26 58.470 -0.211 6.920 1.00 0.00 H new ATOM 0 HB3 LEU A 26 57.134 -1.240 7.397 1.00 0.00 H new ATOM 0 HG LEU A 26 56.297 -1.159 4.992 1.00 0.00 H new ATOM 0 HD11 LEU A 26 57.911 -0.397 3.273 1.00 0.00 H new ATOM 0 HD12 LEU A 26 57.451 0.940 4.353 1.00 0.00 H new ATOM 0 HD13 LEU A 26 59.025 0.135 4.554 1.00 0.00 H new ATOM 0 HD21 LEU A 26 58.022 -2.733 4.152 1.00 0.00 H new ATOM 0 HD22 LEU A 26 59.135 -2.197 5.434 1.00 0.00 H new ATOM 0 HD23 LEU A 26 57.637 -3.060 5.858 1.00 0.00 H new ATOM 433 N MET A 27 55.844 0.619 9.146 1.00 0.00 N ATOM 434 CA MET A 27 54.906 0.388 10.238 1.00 0.00 C ATOM 435 C MET A 27 53.654 1.242 10.057 1.00 0.00 C ATOM 436 O MET A 27 52.553 0.831 10.424 1.00 0.00 O ATOM 437 CB MET A 27 55.568 0.726 11.575 1.00 0.00 C ATOM 438 CG MET A 27 56.235 -0.527 12.147 1.00 0.00 C ATOM 439 SD MET A 27 55.028 -1.462 13.119 1.00 0.00 S ATOM 440 CE MET A 27 55.102 -0.442 14.612 1.00 0.00 C ATOM 0 H MET A 27 56.785 0.879 9.442 1.00 0.00 H new ATOM 0 HA MET A 27 54.619 -0.664 10.231 1.00 0.00 H new ATOM 0 HB2 MET A 27 56.308 1.514 11.437 1.00 0.00 H new ATOM 0 HB3 MET A 27 54.824 1.106 12.275 1.00 0.00 H new ATOM 0 HG2 MET A 27 56.625 -1.146 11.339 1.00 0.00 H new ATOM 0 HG3 MET A 27 57.083 -0.247 12.772 1.00 0.00 H new ATOM 0 HE1 MET A 27 54.142 -0.481 15.127 1.00 0.00 H new ATOM 0 HE2 MET A 27 55.884 -0.819 15.272 1.00 0.00 H new ATOM 0 HE3 MET A 27 55.325 0.589 14.338 1.00 0.00 H new ATOM 450 N GLN A 28 53.832 2.429 9.489 1.00 0.00 N ATOM 451 CA GLN A 28 52.709 3.333 9.264 1.00 0.00 C ATOM 452 C GLN A 28 51.927 2.916 8.024 1.00 0.00 C ATOM 453 O GLN A 28 50.696 2.970 8.006 1.00 0.00 O ATOM 454 CB GLN A 28 53.218 4.766 9.092 1.00 0.00 C ATOM 455 CG GLN A 28 53.820 5.256 10.410 1.00 0.00 C ATOM 456 CD GLN A 28 54.574 6.562 10.184 1.00 0.00 C ATOM 457 OE1 GLN A 28 55.065 6.816 9.084 1.00 0.00 O ATOM 458 NE2 GLN A 28 54.696 7.412 11.167 1.00 0.00 N ATOM 0 H GLN A 28 54.735 2.786 9.178 1.00 0.00 H new ATOM 0 HA GLN A 28 52.048 3.285 10.130 1.00 0.00 H new ATOM 0 HB2 GLN A 28 53.967 4.804 8.301 1.00 0.00 H new ATOM 0 HB3 GLN A 28 52.400 5.420 8.788 1.00 0.00 H new ATOM 0 HG2 GLN A 28 53.031 5.405 11.147 1.00 0.00 H new ATOM 0 HG3 GLN A 28 54.495 4.502 10.814 1.00 0.00 H new ATOM 0 HE21 GLN A 28 54.289 7.200 12.078 1.00 0.00 H new ATOM 0 HE22 GLN A 28 55.199 8.288 11.024 1.00 0.00 H new ATOM 467 N GLY A 29 52.647 2.498 6.987 1.00 0.00 N ATOM 468 CA GLY A 29 52.009 2.074 5.748 1.00 0.00 C ATOM 469 C GLY A 29 51.228 0.780 5.953 1.00 0.00 C ATOM 470 O GLY A 29 50.118 0.627 5.444 1.00 0.00 O ATOM 0 H GLY A 29 53.666 2.444 6.981 1.00 0.00 H new ATOM 0 HA2 GLY A 29 51.338 2.856 5.394 1.00 0.00 H new ATOM 0 HA3 GLY A 29 52.765 1.929 4.976 1.00 0.00 H new ATOM 474 N PHE A 30 51.815 -0.148 6.701 1.00 0.00 N ATOM 475 CA PHE A 30 51.165 -1.425 6.967 1.00 0.00 C ATOM 476 C PHE A 30 50.428 -1.383 8.303 1.00 0.00 C ATOM 477 O PHE A 30 50.635 -0.475 9.109 1.00 0.00 O ATOM 478 CB PHE A 30 52.205 -2.546 6.992 1.00 0.00 C ATOM 479 CG PHE A 30 53.046 -2.480 5.740 1.00 0.00 C ATOM 480 CD1 PHE A 30 54.249 -3.192 5.665 1.00 0.00 C ATOM 481 CD2 PHE A 30 52.623 -1.706 4.651 1.00 0.00 C ATOM 482 CE1 PHE A 30 55.029 -3.130 4.505 1.00 0.00 C ATOM 483 CE2 PHE A 30 53.403 -1.644 3.491 1.00 0.00 C ATOM 484 CZ PHE A 30 54.606 -2.356 3.418 1.00 0.00 C ATOM 0 H PHE A 30 52.734 -0.041 7.131 1.00 0.00 H new ATOM 0 HA PHE A 30 50.444 -1.616 6.172 1.00 0.00 H new ATOM 0 HB2 PHE A 30 52.838 -2.449 7.874 1.00 0.00 H new ATOM 0 HB3 PHE A 30 51.710 -3.515 7.060 1.00 0.00 H new ATOM 0 HD1 PHE A 30 54.575 -3.790 6.503 1.00 0.00 H new ATOM 0 HD2 PHE A 30 51.695 -1.157 4.707 1.00 0.00 H new ATOM 0 HE1 PHE A 30 55.957 -3.679 4.448 1.00 0.00 H new ATOM 0 HE2 PHE A 30 53.077 -1.047 2.652 1.00 0.00 H new ATOM 0 HZ PHE A 30 55.208 -2.308 2.523 1.00 0.00 H new ATOM 494 N ASP A 31 49.568 -2.370 8.529 1.00 0.00 N ATOM 495 CA ASP A 31 48.806 -2.435 9.772 1.00 0.00 C ATOM 496 C ASP A 31 49.321 -3.565 10.657 1.00 0.00 C ATOM 497 O ASP A 31 48.883 -4.710 10.536 1.00 0.00 O ATOM 498 CB ASP A 31 47.324 -2.659 9.464 1.00 0.00 C ATOM 499 CG ASP A 31 46.824 -1.588 8.501 1.00 0.00 C ATOM 500 OD1 ASP A 31 46.501 -0.507 8.965 1.00 0.00 O ATOM 501 OD2 ASP A 31 46.771 -1.865 7.314 1.00 0.00 O ATOM 0 H ASP A 31 49.382 -3.130 7.875 1.00 0.00 H new ATOM 0 HA ASP A 31 48.928 -1.490 10.302 1.00 0.00 H new ATOM 0 HB2 ASP A 31 47.180 -3.648 9.028 1.00 0.00 H new ATOM 0 HB3 ASP A 31 46.744 -2.630 10.386 1.00 0.00 H new ATOM 506 N ALA A 32 50.251 -3.236 11.546 1.00 0.00 N ATOM 507 CA ALA A 32 50.819 -4.232 12.449 1.00 0.00 C ATOM 508 C ALA A 32 51.985 -3.642 13.234 1.00 0.00 C ATOM 509 O ALA A 32 52.646 -2.710 12.775 1.00 0.00 O ATOM 510 CB ALA A 32 51.299 -5.446 11.651 1.00 0.00 C ATOM 0 H ALA A 32 50.626 -2.295 11.661 1.00 0.00 H new ATOM 0 HA ALA A 32 50.045 -4.542 13.151 1.00 0.00 H new ATOM 0 HB1 ALA A 32 51.722 -6.185 12.332 1.00 0.00 H new ATOM 0 HB2 ALA A 32 50.457 -5.885 11.116 1.00 0.00 H new ATOM 0 HB3 ALA A 32 52.060 -5.134 10.936 1.00 0.00 H new ATOM 516 N GLU A 33 52.233 -4.191 14.419 1.00 0.00 N ATOM 517 CA GLU A 33 53.323 -3.709 15.260 1.00 0.00 C ATOM 518 C GLU A 33 54.554 -4.595 15.101 1.00 0.00 C ATOM 519 O GLU A 33 54.452 -5.822 15.102 1.00 0.00 O ATOM 520 CB GLU A 33 52.885 -3.696 16.726 1.00 0.00 C ATOM 521 CG GLU A 33 53.939 -2.974 17.567 1.00 0.00 C ATOM 522 CD GLU A 33 53.453 -2.839 19.006 1.00 0.00 C ATOM 523 OE1 GLU A 33 52.381 -3.343 19.299 1.00 0.00 O ATOM 524 OE2 GLU A 33 54.161 -2.236 19.795 1.00 0.00 O ATOM 0 H GLU A 33 51.699 -4.964 14.816 1.00 0.00 H new ATOM 0 HA GLU A 33 53.577 -2.696 14.949 1.00 0.00 H new ATOM 0 HB2 GLU A 33 51.921 -3.196 16.824 1.00 0.00 H new ATOM 0 HB3 GLU A 33 52.753 -4.716 17.086 1.00 0.00 H new ATOM 0 HG2 GLU A 33 54.878 -3.527 17.542 1.00 0.00 H new ATOM 0 HG3 GLU A 33 54.138 -1.988 17.147 1.00 0.00 H new ATOM 531 N VAL A 34 55.717 -3.966 14.967 1.00 0.00 N ATOM 532 CA VAL A 34 56.962 -4.709 14.809 1.00 0.00 C ATOM 533 C VAL A 34 57.802 -4.621 16.079 1.00 0.00 C ATOM 534 O VAL A 34 57.906 -3.559 16.694 1.00 0.00 O ATOM 535 CB VAL A 34 57.758 -4.148 13.629 1.00 0.00 C ATOM 536 CG1 VAL A 34 59.116 -4.846 13.552 1.00 0.00 C ATOM 537 CG2 VAL A 34 56.984 -4.393 12.332 1.00 0.00 C ATOM 0 H VAL A 34 55.824 -2.952 14.965 1.00 0.00 H new ATOM 0 HA VAL A 34 56.719 -5.754 14.619 1.00 0.00 H new ATOM 0 HB VAL A 34 57.908 -3.077 13.767 1.00 0.00 H new ATOM 0 HG11 VAL A 34 59.683 -4.446 12.711 1.00 0.00 H new ATOM 0 HG12 VAL A 34 59.667 -4.673 14.476 1.00 0.00 H new ATOM 0 HG13 VAL A 34 58.967 -5.917 13.413 1.00 0.00 H new ATOM 0 HG21 VAL A 34 57.549 -3.994 11.490 1.00 0.00 H new ATOM 0 HG22 VAL A 34 56.835 -5.464 12.194 1.00 0.00 H new ATOM 0 HG23 VAL A 34 56.016 -3.896 12.387 1.00 0.00 H new ATOM 547 N LEU A 35 58.399 -5.743 16.467 1.00 0.00 N ATOM 548 CA LEU A 35 59.227 -5.781 17.666 1.00 0.00 C ATOM 549 C LEU A 35 60.501 -6.581 17.413 1.00 0.00 C ATOM 550 O LEU A 35 60.450 -7.708 16.920 1.00 0.00 O ATOM 551 CB LEU A 35 58.447 -6.412 18.820 1.00 0.00 C ATOM 552 CG LEU A 35 59.414 -6.801 19.939 1.00 0.00 C ATOM 553 CD1 LEU A 35 58.816 -6.411 21.291 1.00 0.00 C ATOM 554 CD2 LEU A 35 59.650 -8.313 19.904 1.00 0.00 C ATOM 0 H LEU A 35 58.326 -6.632 15.972 1.00 0.00 H new ATOM 0 HA LEU A 35 59.500 -4.759 17.928 1.00 0.00 H new ATOM 0 HB2 LEU A 35 57.703 -5.710 19.196 1.00 0.00 H new ATOM 0 HB3 LEU A 35 57.907 -7.292 18.470 1.00 0.00 H new ATOM 0 HG LEU A 35 60.361 -6.280 19.798 1.00 0.00 H new ATOM 0 HD11 LEU A 35 59.506 -6.689 22.088 1.00 0.00 H new ATOM 0 HD12 LEU A 35 58.646 -5.335 21.317 1.00 0.00 H new ATOM 0 HD13 LEU A 35 57.869 -6.931 21.434 1.00 0.00 H new ATOM 0 HD21 LEU A 35 60.339 -8.592 20.701 1.00 0.00 H new ATOM 0 HD22 LEU A 35 58.702 -8.833 20.045 1.00 0.00 H new ATOM 0 HD23 LEU A 35 60.077 -8.592 18.941 1.00 0.00 H new ATOM 566 N LEU A 36 61.642 -5.991 17.751 1.00 0.00 N ATOM 567 CA LEU A 36 62.924 -6.658 17.555 1.00 0.00 C ATOM 568 C LEU A 36 63.494 -7.128 18.890 1.00 0.00 C ATOM 569 O LEU A 36 63.203 -6.549 19.938 1.00 0.00 O ATOM 570 CB LEU A 36 63.913 -5.704 16.885 1.00 0.00 C ATOM 571 CG LEU A 36 63.225 -4.990 15.720 1.00 0.00 C ATOM 572 CD1 LEU A 36 64.231 -4.082 15.010 1.00 0.00 C ATOM 573 CD2 LEU A 36 62.691 -6.028 14.731 1.00 0.00 C ATOM 0 H LEU A 36 61.706 -5.059 18.159 1.00 0.00 H new ATOM 0 HA LEU A 36 62.765 -7.525 16.914 1.00 0.00 H new ATOM 0 HB2 LEU A 36 64.277 -4.974 17.608 1.00 0.00 H new ATOM 0 HB3 LEU A 36 64.781 -6.257 16.525 1.00 0.00 H new ATOM 0 HG LEU A 36 62.399 -4.389 16.100 1.00 0.00 H new ATOM 0 HD11 LEU A 36 63.740 -3.574 14.180 1.00 0.00 H new ATOM 0 HD12 LEU A 36 64.613 -3.342 15.713 1.00 0.00 H new ATOM 0 HD13 LEU A 36 65.058 -4.682 14.630 1.00 0.00 H new ATOM 0 HD21 LEU A 36 62.200 -5.521 13.900 1.00 0.00 H new ATOM 0 HD22 LEU A 36 63.518 -6.629 14.352 1.00 0.00 H new ATOM 0 HD23 LEU A 36 61.974 -6.676 15.235 1.00 0.00 H new ATOM 585 N ARG A 37 64.304 -8.181 18.845 1.00 0.00 N ATOM 586 CA ARG A 37 64.908 -8.720 20.057 1.00 0.00 C ATOM 587 C ARG A 37 66.294 -9.284 19.761 1.00 0.00 C ATOM 588 O ARG A 37 66.483 -10.011 18.787 1.00 0.00 O ATOM 589 CB ARG A 37 64.019 -9.821 20.639 1.00 0.00 C ATOM 590 CG ARG A 37 62.850 -9.190 21.395 1.00 0.00 C ATOM 591 CD ARG A 37 61.810 -10.263 21.717 1.00 0.00 C ATOM 592 NE ARG A 37 60.790 -9.726 22.610 1.00 0.00 N ATOM 593 CZ ARG A 37 59.641 -10.365 22.805 1.00 0.00 C ATOM 594 NH1 ARG A 37 58.744 -9.864 23.609 1.00 0.00 N ATOM 595 NH2 ARG A 37 59.411 -11.494 22.192 1.00 0.00 N ATOM 0 H ARG A 37 64.556 -8.675 17.989 1.00 0.00 H new ATOM 0 HA ARG A 37 65.005 -7.912 20.782 1.00 0.00 H new ATOM 0 HB2 ARG A 37 63.645 -10.461 19.840 1.00 0.00 H new ATOM 0 HB3 ARG A 37 64.599 -10.455 21.310 1.00 0.00 H new ATOM 0 HG2 ARG A 37 63.206 -8.727 22.315 1.00 0.00 H new ATOM 0 HG3 ARG A 37 62.399 -8.400 20.794 1.00 0.00 H new ATOM 0 HD2 ARG A 37 61.347 -10.618 20.796 1.00 0.00 H new ATOM 0 HD3 ARG A 37 62.295 -11.121 22.182 1.00 0.00 H new ATOM 0 HE ARG A 37 60.961 -8.844 23.094 1.00 0.00 H new ATOM 0 HH11 ARG A 37 58.924 -8.982 24.088 1.00 0.00 H new ATOM 0 HH12 ARG A 37 57.862 -10.355 23.758 1.00 0.00 H new ATOM 0 HH21 ARG A 37 60.113 -11.885 21.564 1.00 0.00 H new ATOM 0 HH22 ARG A 37 58.529 -11.985 22.341 1.00 0.00 H new ATOM 609 N ASN A 38 67.260 -8.944 20.610 1.00 0.00 N ATOM 610 CA ASN A 38 68.625 -9.423 20.428 1.00 0.00 C ATOM 611 C ASN A 38 68.823 -10.756 21.144 1.00 0.00 C ATOM 612 O ASN A 38 68.146 -11.050 22.128 1.00 0.00 O ATOM 613 CB ASN A 38 69.616 -8.395 20.977 1.00 0.00 C ATOM 614 CG ASN A 38 70.794 -8.246 20.020 1.00 0.00 C ATOM 615 OD1 ASN A 38 71.108 -9.172 19.272 1.00 0.00 O ATOM 616 ND2 ASN A 38 71.469 -7.130 20.001 1.00 0.00 N ATOM 0 H ASN A 38 67.124 -8.344 21.424 1.00 0.00 H new ATOM 0 HA ASN A 38 68.802 -9.565 19.362 1.00 0.00 H new ATOM 0 HB2 ASN A 38 69.120 -7.433 21.109 1.00 0.00 H new ATOM 0 HB3 ASN A 38 69.971 -8.708 21.959 1.00 0.00 H new ATOM 0 HD21 ASN A 38 72.259 -7.023 19.365 1.00 0.00 H new ATOM 0 HD22 ASN A 38 71.206 -6.365 20.622 1.00 0.00 H new ATOM 623 N ASP A 39 69.756 -11.558 20.641 1.00 0.00 N ATOM 624 CA ASP A 39 70.035 -12.858 21.241 1.00 0.00 C ATOM 625 C ASP A 39 70.300 -12.714 22.735 1.00 0.00 C ATOM 626 O ASP A 39 70.009 -13.619 23.518 1.00 0.00 O ATOM 627 CB ASP A 39 71.253 -13.494 20.564 1.00 0.00 C ATOM 628 CG ASP A 39 72.455 -12.562 20.672 1.00 0.00 C ATOM 629 OD1 ASP A 39 72.248 -11.389 20.934 1.00 0.00 O ATOM 630 OD2 ASP A 39 73.564 -13.035 20.489 1.00 0.00 O ATOM 0 H ASP A 39 70.327 -11.334 19.826 1.00 0.00 H new ATOM 0 HA ASP A 39 69.164 -13.497 21.099 1.00 0.00 H new ATOM 0 HB2 ASP A 39 71.481 -14.451 21.033 1.00 0.00 H new ATOM 0 HB3 ASP A 39 71.032 -13.697 19.516 1.00 0.00 H new ATOM 635 N GLU A 40 70.851 -11.569 23.126 1.00 0.00 N ATOM 636 CA GLU A 40 71.150 -11.316 24.531 1.00 0.00 C ATOM 637 C GLU A 40 69.863 -11.110 25.323 1.00 0.00 C ATOM 638 O GLU A 40 69.892 -10.968 26.546 1.00 0.00 O ATOM 639 CB GLU A 40 72.038 -10.077 24.662 1.00 0.00 C ATOM 640 CG GLU A 40 73.345 -10.302 23.900 1.00 0.00 C ATOM 641 CD GLU A 40 74.216 -11.309 24.645 1.00 0.00 C ATOM 642 OE1 GLU A 40 73.934 -11.563 25.804 1.00 0.00 O ATOM 643 OE2 GLU A 40 75.152 -11.811 24.045 1.00 0.00 O ATOM 0 H GLU A 40 71.098 -10.807 22.495 1.00 0.00 H new ATOM 0 HA GLU A 40 71.676 -12.182 24.933 1.00 0.00 H new ATOM 0 HB2 GLU A 40 71.521 -9.203 24.267 1.00 0.00 H new ATOM 0 HB3 GLU A 40 72.247 -9.876 25.713 1.00 0.00 H new ATOM 0 HG2 GLU A 40 73.132 -10.666 22.895 1.00 0.00 H new ATOM 0 HG3 GLU A 40 73.879 -9.358 23.790 1.00 0.00 H new ATOM 650 N GLY A 41 68.736 -11.093 24.619 1.00 0.00 N ATOM 651 CA GLY A 41 67.444 -10.902 25.268 1.00 0.00 C ATOM 652 C GLY A 41 67.129 -9.418 25.428 1.00 0.00 C ATOM 653 O GLY A 41 66.283 -9.037 26.237 1.00 0.00 O ATOM 0 H GLY A 41 68.691 -11.208 23.607 1.00 0.00 H new ATOM 0 HA2 GLY A 41 66.662 -11.382 24.679 1.00 0.00 H new ATOM 0 HA3 GLY A 41 67.449 -11.384 26.245 1.00 0.00 H new ATOM 657 N THR A 42 67.815 -8.585 24.652 1.00 0.00 N ATOM 658 CA THR A 42 67.600 -7.145 24.716 1.00 0.00 C ATOM 659 C THR A 42 66.436 -6.737 23.818 1.00 0.00 C ATOM 660 O THR A 42 66.534 -6.794 22.593 1.00 0.00 O ATOM 661 CB THR A 42 68.867 -6.407 24.278 1.00 0.00 C ATOM 662 OG1 THR A 42 69.800 -6.396 25.350 1.00 0.00 O ATOM 663 CG2 THR A 42 68.515 -4.970 23.891 1.00 0.00 C ATOM 0 H THR A 42 68.520 -8.880 23.976 1.00 0.00 H new ATOM 0 HA THR A 42 67.362 -6.878 25.746 1.00 0.00 H new ATOM 0 HB THR A 42 69.305 -6.915 23.419 1.00 0.00 H new ATOM 0 HG1 THR A 42 70.613 -5.925 25.071 1.00 0.00 H new ATOM 0 HG21 THR A 42 69.418 -4.445 23.579 1.00 0.00 H new ATOM 0 HG22 THR A 42 67.799 -4.980 23.069 1.00 0.00 H new ATOM 0 HG23 THR A 42 68.077 -4.459 24.748 1.00 0.00 H new ATOM 671 N GLU A 43 65.334 -6.324 24.438 1.00 0.00 N ATOM 672 CA GLU A 43 64.157 -5.910 23.684 1.00 0.00 C ATOM 673 C GLU A 43 64.404 -4.569 22.999 1.00 0.00 C ATOM 674 O GLU A 43 64.393 -3.520 23.643 1.00 0.00 O ATOM 675 CB GLU A 43 62.952 -5.792 24.620 1.00 0.00 C ATOM 676 CG GLU A 43 62.461 -7.189 24.999 1.00 0.00 C ATOM 677 CD GLU A 43 61.399 -7.091 26.089 1.00 0.00 C ATOM 678 OE1 GLU A 43 61.270 -6.025 26.669 1.00 0.00 O ATOM 679 OE2 GLU A 43 60.730 -8.083 26.329 1.00 0.00 O ATOM 0 H GLU A 43 65.232 -6.268 25.451 1.00 0.00 H new ATOM 0 HA GLU A 43 63.953 -6.663 22.922 1.00 0.00 H new ATOM 0 HB2 GLU A 43 63.228 -5.236 25.516 1.00 0.00 H new ATOM 0 HB3 GLU A 43 62.153 -5.234 24.132 1.00 0.00 H new ATOM 0 HG2 GLU A 43 62.049 -7.689 24.122 1.00 0.00 H new ATOM 0 HG3 GLU A 43 63.297 -7.795 25.348 1.00 0.00 H new ATOM 686 N ALA A 44 64.625 -4.612 21.689 1.00 0.00 N ATOM 687 CA ALA A 44 64.874 -3.394 20.926 1.00 0.00 C ATOM 688 C ALA A 44 63.610 -2.954 20.194 1.00 0.00 C ATOM 689 O ALA A 44 63.481 -3.153 18.986 1.00 0.00 O ATOM 690 CB ALA A 44 65.997 -3.632 19.914 1.00 0.00 C ATOM 0 H ALA A 44 64.637 -5.470 21.137 1.00 0.00 H new ATOM 0 HA ALA A 44 65.172 -2.607 21.619 1.00 0.00 H new ATOM 0 HB1 ALA A 44 66.177 -2.718 19.348 1.00 0.00 H new ATOM 0 HB2 ALA A 44 66.907 -3.918 20.441 1.00 0.00 H new ATOM 0 HB3 ALA A 44 65.708 -4.430 19.231 1.00 0.00 H new ATOM 696 N GLU A 45 62.684 -2.352 20.933 1.00 0.00 N ATOM 697 CA GLU A 45 61.434 -1.887 20.342 1.00 0.00 C ATOM 698 C GLU A 45 61.687 -1.266 18.973 1.00 0.00 C ATOM 699 O GLU A 45 62.448 -0.306 18.848 1.00 0.00 O ATOM 700 CB GLU A 45 60.769 -0.862 21.262 1.00 0.00 C ATOM 701 CG GLU A 45 60.198 -1.574 22.487 1.00 0.00 C ATOM 702 CD GLU A 45 59.715 -0.549 23.508 1.00 0.00 C ATOM 703 OE1 GLU A 45 60.064 0.611 23.365 1.00 0.00 O ATOM 704 OE2 GLU A 45 59.004 -0.940 24.419 1.00 0.00 O ATOM 0 H GLU A 45 62.774 -2.176 21.934 1.00 0.00 H new ATOM 0 HA GLU A 45 60.771 -2.743 20.219 1.00 0.00 H new ATOM 0 HB2 GLU A 45 61.495 -0.109 21.571 1.00 0.00 H new ATOM 0 HB3 GLU A 45 59.975 -0.339 20.729 1.00 0.00 H new ATOM 0 HG2 GLU A 45 59.372 -2.221 22.190 1.00 0.00 H new ATOM 0 HG3 GLU A 45 60.959 -2.214 22.934 1.00 0.00 H new ATOM 711 N ALA A 46 61.045 -1.819 17.949 1.00 0.00 N ATOM 712 CA ALA A 46 61.209 -1.309 16.593 1.00 0.00 C ATOM 713 C ALA A 46 60.623 0.095 16.474 1.00 0.00 C ATOM 714 O ALA A 46 60.600 0.678 15.390 1.00 0.00 O ATOM 715 CB ALA A 46 60.512 -2.240 15.598 1.00 0.00 C ATOM 0 H ALA A 46 60.411 -2.614 18.031 1.00 0.00 H new ATOM 0 HA ALA A 46 62.274 -1.266 16.367 1.00 0.00 H new ATOM 0 HB1 ALA A 46 60.639 -1.853 14.587 1.00 0.00 H new ATOM 0 HB2 ALA A 46 60.951 -3.236 15.663 1.00 0.00 H new ATOM 0 HB3 ALA A 46 59.449 -2.296 15.835 1.00 0.00 H new ATOM 721 N ASN A 47 60.153 0.631 17.596 1.00 0.00 N ATOM 722 CA ASN A 47 59.570 1.968 17.605 1.00 0.00 C ATOM 723 C ASN A 47 60.351 2.886 18.542 1.00 0.00 C ATOM 724 O ASN A 47 59.795 3.828 19.107 1.00 0.00 O ATOM 725 CB ASN A 47 58.110 1.898 18.056 1.00 0.00 C ATOM 726 CG ASN A 47 57.328 0.960 17.143 1.00 0.00 C ATOM 727 OD1 ASN A 47 57.485 1.004 15.924 1.00 0.00 O ATOM 728 ND2 ASN A 47 56.489 0.106 17.665 1.00 0.00 N ATOM 0 H ASN A 47 60.164 0.165 18.503 1.00 0.00 H new ATOM 0 HA ASN A 47 59.618 2.373 16.594 1.00 0.00 H new ATOM 0 HB2 ASN A 47 58.055 1.546 19.086 1.00 0.00 H new ATOM 0 HB3 ASN A 47 57.666 2.893 18.035 1.00 0.00 H new ATOM 0 HD21 ASN A 47 55.963 -0.526 17.061 1.00 0.00 H new ATOM 0 HD22 ASN A 47 56.360 0.071 18.676 1.00 0.00 H new ATOM 735 N SER A 48 61.639 2.603 18.701 1.00 0.00 N ATOM 736 CA SER A 48 62.486 3.411 19.571 1.00 0.00 C ATOM 737 C SER A 48 63.890 3.536 18.987 1.00 0.00 C ATOM 738 O SER A 48 64.531 2.535 18.666 1.00 0.00 O ATOM 739 CB SER A 48 62.564 2.774 20.959 1.00 0.00 C ATOM 740 OG SER A 48 63.682 3.307 21.658 1.00 0.00 O ATOM 0 H SER A 48 62.117 1.827 18.243 1.00 0.00 H new ATOM 0 HA SER A 48 62.049 4.406 19.651 1.00 0.00 H new ATOM 0 HB2 SER A 48 61.646 2.970 21.514 1.00 0.00 H new ATOM 0 HB3 SER A 48 62.658 1.692 20.870 1.00 0.00 H new ATOM 0 HG SER A 48 63.734 2.902 22.549 1.00 0.00 H new ATOM 746 N VAL A 49 64.361 4.771 18.852 1.00 0.00 N ATOM 747 CA VAL A 49 65.691 5.016 18.305 1.00 0.00 C ATOM 748 C VAL A 49 66.763 4.461 19.236 1.00 0.00 C ATOM 749 O VAL A 49 67.819 4.016 18.787 1.00 0.00 O ATOM 750 CB VAL A 49 65.907 6.517 18.109 1.00 0.00 C ATOM 751 CG1 VAL A 49 65.178 6.979 16.847 1.00 0.00 C ATOM 752 CG2 VAL A 49 65.354 7.272 19.320 1.00 0.00 C ATOM 0 H VAL A 49 63.846 5.612 19.112 1.00 0.00 H new ATOM 0 HA VAL A 49 65.767 4.511 17.342 1.00 0.00 H new ATOM 0 HB VAL A 49 66.973 6.720 18.007 1.00 0.00 H new ATOM 0 HG11 VAL A 49 65.333 8.049 16.709 1.00 0.00 H new ATOM 0 HG12 VAL A 49 65.569 6.441 15.983 1.00 0.00 H new ATOM 0 HG13 VAL A 49 64.112 6.777 16.948 1.00 0.00 H new ATOM 0 HG21 VAL A 49 65.507 8.342 19.182 1.00 0.00 H new ATOM 0 HG22 VAL A 49 64.288 7.068 19.420 1.00 0.00 H new ATOM 0 HG23 VAL A 49 65.873 6.944 20.221 1.00 0.00 H new ATOM 762 N ILE A 50 66.486 4.494 20.535 1.00 0.00 N ATOM 763 CA ILE A 50 67.436 3.992 21.522 1.00 0.00 C ATOM 764 C ILE A 50 67.679 2.499 21.321 1.00 0.00 C ATOM 765 O ILE A 50 68.799 2.015 21.485 1.00 0.00 O ATOM 766 CB ILE A 50 66.902 4.239 22.934 1.00 0.00 C ATOM 767 CG1 ILE A 50 66.877 5.744 23.212 1.00 0.00 C ATOM 768 CG2 ILE A 50 67.812 3.549 23.952 1.00 0.00 C ATOM 769 CD1 ILE A 50 66.001 6.022 24.435 1.00 0.00 C ATOM 0 H ILE A 50 65.618 4.860 20.927 1.00 0.00 H new ATOM 0 HA ILE A 50 68.379 4.522 21.393 1.00 0.00 H new ATOM 0 HB ILE A 50 65.893 3.836 23.017 1.00 0.00 H new ATOM 0 HG12 ILE A 50 67.889 6.109 23.386 1.00 0.00 H new ATOM 0 HG13 ILE A 50 66.490 6.279 22.345 1.00 0.00 H new ATOM 0 HG21 ILE A 50 67.432 3.725 24.958 1.00 0.00 H new ATOM 0 HG22 ILE A 50 67.832 2.477 23.754 1.00 0.00 H new ATOM 0 HG23 ILE A 50 68.821 3.952 23.870 1.00 0.00 H new ATOM 0 HD11 ILE A 50 65.983 7.094 24.634 1.00 0.00 H new ATOM 0 HD12 ILE A 50 64.987 5.671 24.244 1.00 0.00 H new ATOM 0 HD13 ILE A 50 66.408 5.500 25.301 1.00 0.00 H new ATOM 781 N ALA A 51 66.622 1.777 20.965 1.00 0.00 N ATOM 782 CA ALA A 51 66.732 0.339 20.745 1.00 0.00 C ATOM 783 C ALA A 51 67.622 0.049 19.540 1.00 0.00 C ATOM 784 O ALA A 51 68.449 -0.863 19.571 1.00 0.00 O ATOM 785 CB ALA A 51 65.345 -0.263 20.513 1.00 0.00 C ATOM 0 H ALA A 51 65.687 2.159 20.824 1.00 0.00 H new ATOM 0 HA ALA A 51 67.179 -0.112 21.631 1.00 0.00 H new ATOM 0 HB1 ALA A 51 65.437 -1.337 20.350 1.00 0.00 H new ATOM 0 HB2 ALA A 51 64.719 -0.081 21.386 1.00 0.00 H new ATOM 0 HB3 ALA A 51 64.889 0.199 19.637 1.00 0.00 H new ATOM 791 N LEU A 52 67.445 0.829 18.478 1.00 0.00 N ATOM 792 CA LEU A 52 68.237 0.647 17.268 1.00 0.00 C ATOM 793 C LEU A 52 69.724 0.776 17.577 1.00 0.00 C ATOM 794 O LEU A 52 70.549 0.049 17.024 1.00 0.00 O ATOM 795 CB LEU A 52 67.839 1.689 16.221 1.00 0.00 C ATOM 796 CG LEU A 52 67.988 1.091 14.822 1.00 0.00 C ATOM 797 CD1 LEU A 52 66.800 0.175 14.527 1.00 0.00 C ATOM 798 CD2 LEU A 52 68.028 2.219 13.788 1.00 0.00 C ATOM 0 H LEU A 52 66.765 1.588 18.431 1.00 0.00 H new ATOM 0 HA LEU A 52 68.044 -0.352 16.877 1.00 0.00 H new ATOM 0 HB2 LEU A 52 66.810 2.008 16.384 1.00 0.00 H new ATOM 0 HB3 LEU A 52 68.466 2.575 16.318 1.00 0.00 H new ATOM 0 HG LEU A 52 68.912 0.515 14.771 1.00 0.00 H new ATOM 0 HD11 LEU A 52 66.908 -0.251 13.529 1.00 0.00 H new ATOM 0 HD12 LEU A 52 66.769 -0.629 15.263 1.00 0.00 H new ATOM 0 HD13 LEU A 52 65.876 0.750 14.578 1.00 0.00 H new ATOM 0 HD21 LEU A 52 68.134 1.794 12.790 1.00 0.00 H new ATOM 0 HD22 LEU A 52 67.104 2.794 13.841 1.00 0.00 H new ATOM 0 HD23 LEU A 52 68.875 2.873 13.996 1.00 0.00 H new ATOM 810 N LEU A 53 70.062 1.708 18.462 1.00 0.00 N ATOM 811 CA LEU A 53 71.454 1.924 18.837 1.00 0.00 C ATOM 812 C LEU A 53 72.054 0.651 19.427 1.00 0.00 C ATOM 813 O LEU A 53 73.207 0.315 19.156 1.00 0.00 O ATOM 814 CB LEU A 53 71.549 3.056 19.862 1.00 0.00 C ATOM 815 CG LEU A 53 72.048 4.327 19.174 1.00 0.00 C ATOM 816 CD1 LEU A 53 71.978 5.500 20.153 1.00 0.00 C ATOM 817 CD2 LEU A 53 73.497 4.126 18.722 1.00 0.00 C ATOM 0 H LEU A 53 69.396 2.322 18.930 1.00 0.00 H new ATOM 0 HA LEU A 53 72.014 2.196 17.942 1.00 0.00 H new ATOM 0 HB2 LEU A 53 70.573 3.234 20.315 1.00 0.00 H new ATOM 0 HB3 LEU A 53 72.228 2.775 20.667 1.00 0.00 H new ATOM 0 HG LEU A 53 71.422 4.540 18.308 1.00 0.00 H new ATOM 0 HD11 LEU A 53 72.334 6.406 19.662 1.00 0.00 H new ATOM 0 HD12 LEU A 53 70.947 5.644 20.476 1.00 0.00 H new ATOM 0 HD13 LEU A 53 72.603 5.288 21.020 1.00 0.00 H new ATOM 0 HD21 LEU A 53 73.854 5.031 18.231 1.00 0.00 H new ATOM 0 HD22 LEU A 53 74.122 3.912 19.589 1.00 0.00 H new ATOM 0 HD23 LEU A 53 73.548 3.291 18.024 1.00 0.00 H new ATOM 829 N MET A 54 71.264 -0.053 20.230 1.00 0.00 N ATOM 830 CA MET A 54 71.729 -1.287 20.853 1.00 0.00 C ATOM 831 C MET A 54 71.939 -2.371 19.800 1.00 0.00 C ATOM 832 O MET A 54 72.907 -3.130 19.861 1.00 0.00 O ATOM 833 CB MET A 54 70.709 -1.768 21.886 1.00 0.00 C ATOM 834 CG MET A 54 70.668 -0.786 23.058 1.00 0.00 C ATOM 835 SD MET A 54 69.311 -1.228 24.170 1.00 0.00 S ATOM 836 CE MET A 54 69.735 -0.090 25.511 1.00 0.00 C ATOM 0 H MET A 54 70.306 0.207 20.464 1.00 0.00 H new ATOM 0 HA MET A 54 72.679 -1.087 21.348 1.00 0.00 H new ATOM 0 HB2 MET A 54 69.722 -1.847 21.429 1.00 0.00 H new ATOM 0 HB3 MET A 54 70.977 -2.763 22.241 1.00 0.00 H new ATOM 0 HG2 MET A 54 71.615 -0.807 23.597 1.00 0.00 H new ATOM 0 HG3 MET A 54 70.533 0.231 22.689 1.00 0.00 H new ATOM 0 HE1 MET A 54 69.013 -0.196 26.320 1.00 0.00 H new ATOM 0 HE2 MET A 54 70.733 -0.321 25.883 1.00 0.00 H new ATOM 0 HE3 MET A 54 69.715 0.934 25.139 1.00 0.00 H new ATOM 846 N LEU A 55 71.027 -2.439 18.836 1.00 0.00 N ATOM 847 CA LEU A 55 71.123 -3.434 17.774 1.00 0.00 C ATOM 848 C LEU A 55 72.401 -3.233 16.966 1.00 0.00 C ATOM 849 O LEU A 55 72.976 -4.190 16.450 1.00 0.00 O ATOM 850 CB LEU A 55 69.909 -3.330 16.849 1.00 0.00 C ATOM 851 CG LEU A 55 68.632 -3.600 17.646 1.00 0.00 C ATOM 852 CD1 LEU A 55 67.414 -3.375 16.751 1.00 0.00 C ATOM 853 CD2 LEU A 55 68.641 -5.048 18.142 1.00 0.00 C ATOM 0 H LEU A 55 70.218 -1.821 18.768 1.00 0.00 H new ATOM 0 HA LEU A 55 71.147 -4.424 18.230 1.00 0.00 H new ATOM 0 HB2 LEU A 55 69.866 -2.338 16.399 1.00 0.00 H new ATOM 0 HB3 LEU A 55 69.999 -4.047 16.033 1.00 0.00 H new ATOM 0 HG LEU A 55 68.584 -2.922 18.498 1.00 0.00 H new ATOM 0 HD11 LEU A 55 66.504 -3.568 17.320 1.00 0.00 H new ATOM 0 HD12 LEU A 55 67.409 -2.344 16.396 1.00 0.00 H new ATOM 0 HD13 LEU A 55 67.459 -4.052 15.898 1.00 0.00 H new ATOM 0 HD21 LEU A 55 67.732 -5.243 18.711 1.00 0.00 H new ATOM 0 HD22 LEU A 55 68.688 -5.725 17.289 1.00 0.00 H new ATOM 0 HD23 LEU A 55 69.510 -5.209 18.780 1.00 0.00 H new ATOM 865 N ASP A 56 72.837 -1.982 16.861 1.00 0.00 N ATOM 866 CA ASP A 56 74.049 -1.668 16.113 1.00 0.00 C ATOM 867 C ASP A 56 75.196 -2.578 16.542 1.00 0.00 C ATOM 868 O ASP A 56 75.991 -3.023 15.714 1.00 0.00 O ATOM 869 CB ASP A 56 74.440 -0.207 16.345 1.00 0.00 C ATOM 870 CG ASP A 56 75.663 0.146 15.504 1.00 0.00 C ATOM 871 OD1 ASP A 56 76.191 -0.746 14.860 1.00 0.00 O ATOM 872 OD2 ASP A 56 76.052 1.301 15.516 1.00 0.00 O ATOM 0 H ASP A 56 72.374 -1.176 17.280 1.00 0.00 H new ATOM 0 HA ASP A 56 73.851 -1.828 15.053 1.00 0.00 H new ATOM 0 HB2 ASP A 56 73.608 0.447 16.084 1.00 0.00 H new ATOM 0 HB3 ASP A 56 74.655 -0.043 17.401 1.00 0.00 H new ATOM 877 N SER A 57 75.276 -2.848 17.841 1.00 0.00 N ATOM 878 CA SER A 57 76.330 -3.707 18.368 1.00 0.00 C ATOM 879 C SER A 57 76.055 -5.167 18.025 1.00 0.00 C ATOM 880 O SER A 57 76.905 -6.034 18.229 1.00 0.00 O ATOM 881 CB SER A 57 76.423 -3.546 19.886 1.00 0.00 C ATOM 882 OG SER A 57 75.243 -4.066 20.486 1.00 0.00 O ATOM 0 H SER A 57 74.629 -2.488 18.543 1.00 0.00 H new ATOM 0 HA SER A 57 77.275 -3.412 17.912 1.00 0.00 H new ATOM 0 HB2 SER A 57 77.300 -4.070 20.266 1.00 0.00 H new ATOM 0 HB3 SER A 57 76.544 -2.494 20.145 1.00 0.00 H new ATOM 0 HG SER A 57 74.503 -3.437 20.352 1.00 0.00 H new ATOM 888 N ALA A 58 74.862 -5.433 17.502 1.00 0.00 N ATOM 889 CA ALA A 58 74.485 -6.793 17.134 1.00 0.00 C ATOM 890 C ALA A 58 75.196 -7.217 15.853 1.00 0.00 C ATOM 891 O ALA A 58 74.681 -8.030 15.087 1.00 0.00 O ATOM 892 CB ALA A 58 72.972 -6.879 16.933 1.00 0.00 C ATOM 0 H ALA A 58 74.144 -4.730 17.325 1.00 0.00 H new ATOM 0 HA ALA A 58 74.782 -7.464 17.940 1.00 0.00 H new ATOM 0 HB1 ALA A 58 72.699 -7.898 16.658 1.00 0.00 H new ATOM 0 HB2 ALA A 58 72.466 -6.604 17.858 1.00 0.00 H new ATOM 0 HB3 ALA A 58 72.671 -6.196 16.139 1.00 0.00 H new ATOM 898 N LYS A 59 76.382 -6.662 15.628 1.00 0.00 N ATOM 899 CA LYS A 59 77.154 -6.990 14.434 1.00 0.00 C ATOM 900 C LYS A 59 77.686 -8.418 14.518 1.00 0.00 C ATOM 901 O LYS A 59 78.728 -8.667 15.125 1.00 0.00 O ATOM 902 CB LYS A 59 78.323 -6.016 14.284 1.00 0.00 C ATOM 903 CG LYS A 59 79.054 -6.295 12.969 1.00 0.00 C ATOM 904 CD LYS A 59 80.197 -5.294 12.796 1.00 0.00 C ATOM 905 CE LYS A 59 80.913 -5.558 11.470 1.00 0.00 C ATOM 906 NZ LYS A 59 81.999 -4.556 11.282 1.00 0.00 N ATOM 0 H LYS A 59 76.827 -5.988 16.251 1.00 0.00 H new ATOM 0 HA LYS A 59 76.500 -6.907 13.566 1.00 0.00 H new ATOM 0 HB2 LYS A 59 77.959 -4.989 14.299 1.00 0.00 H new ATOM 0 HB3 LYS A 59 79.009 -6.123 15.124 1.00 0.00 H new ATOM 0 HG2 LYS A 59 79.445 -7.313 12.967 1.00 0.00 H new ATOM 0 HG3 LYS A 59 78.360 -6.218 12.132 1.00 0.00 H new ATOM 0 HD2 LYS A 59 79.808 -4.276 12.815 1.00 0.00 H new ATOM 0 HD3 LYS A 59 80.900 -5.382 13.624 1.00 0.00 H new ATOM 0 HE2 LYS A 59 81.329 -6.566 11.464 1.00 0.00 H new ATOM 0 HE3 LYS A 59 80.204 -5.500 10.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 82.485 -4.736 10.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 81.591 -3.600 11.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 82.680 -4.632 12.064 1.00 0.00 H new ATOM 920 N GLY A 60 76.964 -9.350 13.906 1.00 0.00 N ATOM 921 CA GLY A 60 77.373 -10.750 13.917 1.00 0.00 C ATOM 922 C GLY A 60 76.576 -11.542 14.947 1.00 0.00 C ATOM 923 O GLY A 60 76.885 -12.699 15.229 1.00 0.00 O ATOM 0 H GLY A 60 76.099 -9.164 13.399 1.00 0.00 H new ATOM 0 HA2 GLY A 60 77.227 -11.183 12.927 1.00 0.00 H new ATOM 0 HA3 GLY A 60 78.437 -10.820 14.142 1.00 0.00 H new ATOM 927 N ARG A 61 75.549 -10.910 15.506 1.00 0.00 N ATOM 928 CA ARG A 61 74.713 -11.567 16.504 1.00 0.00 C ATOM 929 C ARG A 61 73.376 -11.980 15.895 1.00 0.00 C ATOM 930 O ARG A 61 73.062 -11.619 14.761 1.00 0.00 O ATOM 931 CB ARG A 61 74.469 -10.623 17.683 1.00 0.00 C ATOM 932 CG ARG A 61 75.780 -10.404 18.441 1.00 0.00 C ATOM 933 CD ARG A 61 75.812 -11.304 19.677 1.00 0.00 C ATOM 934 NE ARG A 61 77.073 -11.136 20.392 1.00 0.00 N ATOM 935 CZ ARG A 61 77.320 -11.803 21.514 1.00 0.00 C ATOM 936 NH1 ARG A 61 78.455 -11.635 22.135 1.00 0.00 N ATOM 937 NH2 ARG A 61 76.429 -12.626 21.995 1.00 0.00 N ATOM 0 H ARG A 61 75.277 -9.952 15.287 1.00 0.00 H new ATOM 0 HA ARG A 61 75.231 -12.460 16.854 1.00 0.00 H new ATOM 0 HB2 ARG A 61 74.080 -9.670 17.325 1.00 0.00 H new ATOM 0 HB3 ARG A 61 73.717 -11.044 18.350 1.00 0.00 H new ATOM 0 HG2 ARG A 61 76.628 -10.627 17.794 1.00 0.00 H new ATOM 0 HG3 ARG A 61 75.871 -9.359 18.737 1.00 0.00 H new ATOM 0 HD2 ARG A 61 74.978 -11.060 20.335 1.00 0.00 H new ATOM 0 HD3 ARG A 61 75.690 -12.346 19.380 1.00 0.00 H new ATOM 0 HE ARG A 61 77.777 -10.496 20.024 1.00 0.00 H new ATOM 0 HH11 ARG A 61 79.152 -10.992 21.759 1.00 0.00 H new ATOM 0 HH12 ARG A 61 78.646 -12.147 22.997 1.00 0.00 H new ATOM 0 HH21 ARG A 61 75.542 -12.758 21.509 1.00 0.00 H new ATOM 0 HH22 ARG A 61 76.620 -13.138 22.857 1.00 0.00 H new ATOM 951 N GLN A 62 72.593 -12.736 16.658 1.00 0.00 N ATOM 952 CA GLN A 62 71.293 -13.193 16.184 1.00 0.00 C ATOM 953 C GLN A 62 70.169 -12.429 16.877 1.00 0.00 C ATOM 954 O GLN A 62 70.253 -12.132 18.069 1.00 0.00 O ATOM 955 CB GLN A 62 71.134 -14.691 16.452 1.00 0.00 C ATOM 956 CG GLN A 62 72.050 -15.478 15.512 1.00 0.00 C ATOM 957 CD GLN A 62 72.048 -16.954 15.897 1.00 0.00 C ATOM 958 OE1 GLN A 62 71.777 -17.296 17.048 1.00 0.00 O ATOM 959 NE2 GLN A 62 72.335 -17.853 14.995 1.00 0.00 N ATOM 0 H GLN A 62 72.834 -13.043 17.600 1.00 0.00 H new ATOM 0 HA GLN A 62 71.235 -13.008 15.111 1.00 0.00 H new ATOM 0 HB2 GLN A 62 71.382 -14.914 17.490 1.00 0.00 H new ATOM 0 HB3 GLN A 62 70.097 -14.990 16.301 1.00 0.00 H new ATOM 0 HG2 GLN A 62 71.714 -15.362 14.482 1.00 0.00 H new ATOM 0 HG3 GLN A 62 73.064 -15.082 15.563 1.00 0.00 H new ATOM 0 HE21 GLN A 62 72.559 -17.566 14.042 1.00 0.00 H new ATOM 0 HE22 GLN A 62 72.335 -18.842 15.243 1.00 0.00 H new ATOM 968 N ILE A 63 69.121 -12.115 16.124 1.00 0.00 N ATOM 969 CA ILE A 63 67.986 -11.385 16.678 1.00 0.00 C ATOM 970 C ILE A 63 66.675 -12.067 16.300 1.00 0.00 C ATOM 971 O ILE A 63 66.637 -12.903 15.398 1.00 0.00 O ATOM 972 CB ILE A 63 67.985 -9.947 16.158 1.00 0.00 C ATOM 973 CG1 ILE A 63 67.750 -9.954 14.645 1.00 0.00 C ATOM 974 CG2 ILE A 63 69.334 -9.293 16.460 1.00 0.00 C ATOM 975 CD1 ILE A 63 67.797 -8.521 14.114 1.00 0.00 C ATOM 0 H ILE A 63 69.033 -12.352 15.136 1.00 0.00 H new ATOM 0 HA ILE A 63 68.078 -11.377 17.764 1.00 0.00 H new ATOM 0 HB ILE A 63 67.191 -9.384 16.649 1.00 0.00 H new ATOM 0 HG12 ILE A 63 68.509 -10.561 14.151 1.00 0.00 H new ATOM 0 HG13 ILE A 63 66.784 -10.405 14.419 1.00 0.00 H new ATOM 0 HG21 ILE A 63 69.333 -8.268 16.089 1.00 0.00 H new ATOM 0 HG22 ILE A 63 69.503 -9.289 17.537 1.00 0.00 H new ATOM 0 HG23 ILE A 63 70.129 -9.855 15.970 1.00 0.00 H new ATOM 0 HD11 ILE A 63 67.630 -8.526 13.037 1.00 0.00 H new ATOM 0 HD12 ILE A 63 67.022 -7.928 14.599 1.00 0.00 H new ATOM 0 HD13 ILE A 63 68.773 -8.086 14.327 1.00 0.00 H new ATOM 987 N GLU A 64 65.602 -11.703 16.995 1.00 0.00 N ATOM 988 CA GLU A 64 64.294 -12.287 16.723 1.00 0.00 C ATOM 989 C GLU A 64 63.273 -11.195 16.414 1.00 0.00 C ATOM 990 O GLU A 64 62.786 -10.515 17.317 1.00 0.00 O ATOM 991 CB GLU A 64 63.823 -13.101 17.929 1.00 0.00 C ATOM 992 CG GLU A 64 65.015 -13.838 18.544 1.00 0.00 C ATOM 993 CD GLU A 64 65.636 -12.995 19.652 1.00 0.00 C ATOM 994 OE1 GLU A 64 64.893 -12.526 20.498 1.00 0.00 O ATOM 995 OE2 GLU A 64 66.845 -12.830 19.638 1.00 0.00 O ATOM 0 H GLU A 64 65.612 -11.012 17.745 1.00 0.00 H new ATOM 0 HA GLU A 64 64.383 -12.942 15.856 1.00 0.00 H new ATOM 0 HB2 GLU A 64 63.367 -12.444 18.669 1.00 0.00 H new ATOM 0 HB3 GLU A 64 63.059 -13.815 17.623 1.00 0.00 H new ATOM 0 HG2 GLU A 64 64.691 -14.798 18.945 1.00 0.00 H new ATOM 0 HG3 GLU A 64 65.759 -14.048 17.775 1.00 0.00 H new ATOM 1002 N VAL A 65 62.957 -11.034 15.134 1.00 0.00 N ATOM 1003 CA VAL A 65 61.992 -10.022 14.718 1.00 0.00 C ATOM 1004 C VAL A 65 60.569 -10.553 14.847 1.00 0.00 C ATOM 1005 O VAL A 65 60.266 -11.659 14.399 1.00 0.00 O ATOM 1006 CB VAL A 65 62.258 -9.614 13.268 1.00 0.00 C ATOM 1007 CG1 VAL A 65 61.380 -8.414 12.906 1.00 0.00 C ATOM 1008 CG2 VAL A 65 63.732 -9.232 13.109 1.00 0.00 C ATOM 0 H VAL A 65 63.351 -11.586 14.372 1.00 0.00 H new ATOM 0 HA VAL A 65 62.102 -9.153 15.366 1.00 0.00 H new ATOM 0 HB VAL A 65 62.024 -10.448 12.607 1.00 0.00 H new ATOM 0 HG11 VAL A 65 61.569 -8.123 11.873 1.00 0.00 H new ATOM 0 HG12 VAL A 65 60.330 -8.684 13.020 1.00 0.00 H new ATOM 0 HG13 VAL A 65 61.614 -7.579 13.567 1.00 0.00 H new ATOM 0 HG21 VAL A 65 63.923 -8.941 12.076 1.00 0.00 H new ATOM 0 HG22 VAL A 65 63.965 -8.397 13.770 1.00 0.00 H new ATOM 0 HG23 VAL A 65 64.359 -10.085 13.367 1.00 0.00 H new ATOM 1018 N GLU A 66 59.698 -9.758 15.460 1.00 0.00 N ATOM 1019 CA GLU A 66 58.309 -10.158 15.641 1.00 0.00 C ATOM 1020 C GLU A 66 57.367 -9.083 15.107 1.00 0.00 C ATOM 1021 O GLU A 66 57.611 -7.890 15.279 1.00 0.00 O ATOM 1022 CB GLU A 66 58.023 -10.397 17.126 1.00 0.00 C ATOM 1023 CG GLU A 66 56.536 -10.701 17.317 1.00 0.00 C ATOM 1024 CD GLU A 66 56.281 -11.175 18.744 1.00 0.00 C ATOM 1025 OE1 GLU A 66 57.221 -11.178 19.523 1.00 0.00 O ATOM 1026 OE2 GLU A 66 55.152 -11.531 19.037 1.00 0.00 O ATOM 0 H GLU A 66 59.928 -8.839 15.837 1.00 0.00 H new ATOM 0 HA GLU A 66 58.142 -11.081 15.085 1.00 0.00 H new ATOM 0 HB2 GLU A 66 58.625 -11.228 17.494 1.00 0.00 H new ATOM 0 HB3 GLU A 66 58.303 -9.518 17.707 1.00 0.00 H new ATOM 0 HG2 GLU A 66 55.944 -9.809 17.110 1.00 0.00 H new ATOM 0 HG3 GLU A 66 56.219 -11.466 16.608 1.00 0.00 H new ATOM 1033 N ALA A 67 56.291 -9.516 14.456 1.00 0.00 N ATOM 1034 CA ALA A 67 55.320 -8.581 13.900 1.00 0.00 C ATOM 1035 C ALA A 67 53.899 -9.036 14.212 1.00 0.00 C ATOM 1036 O ALA A 67 53.568 -10.214 14.074 1.00 0.00 O ATOM 1037 CB ALA A 67 55.504 -8.478 12.385 1.00 0.00 C ATOM 0 H ALA A 67 56.071 -10.500 14.302 1.00 0.00 H new ATOM 0 HA ALA A 67 55.484 -7.603 14.353 1.00 0.00 H new ATOM 0 HB1 ALA A 67 54.775 -7.778 11.977 1.00 0.00 H new ATOM 0 HB2 ALA A 67 56.511 -8.124 12.164 1.00 0.00 H new ATOM 0 HB3 ALA A 67 55.357 -9.459 11.933 1.00 0.00 H new ATOM 1043 N THR A 68 53.060 -8.095 14.635 1.00 0.00 N ATOM 1044 CA THR A 68 51.675 -8.411 14.964 1.00 0.00 C ATOM 1045 C THR A 68 50.723 -7.457 14.249 1.00 0.00 C ATOM 1046 O THR A 68 50.908 -6.240 14.281 1.00 0.00 O ATOM 1047 CB THR A 68 51.461 -8.309 16.476 1.00 0.00 C ATOM 1048 OG1 THR A 68 52.431 -9.106 17.144 1.00 0.00 O ATOM 1049 CG2 THR A 68 50.059 -8.805 16.829 1.00 0.00 C ATOM 0 H THR A 68 53.313 -7.114 14.757 1.00 0.00 H new ATOM 0 HA THR A 68 51.467 -9.429 14.635 1.00 0.00 H new ATOM 0 HB THR A 68 51.565 -7.270 16.790 1.00 0.00 H new ATOM 0 HG1 THR A 68 52.307 -9.028 18.113 1.00 0.00 H new ATOM 0 HG21 THR A 68 49.908 -8.732 17.906 1.00 0.00 H new ATOM 0 HG22 THR A 68 49.317 -8.193 16.316 1.00 0.00 H new ATOM 0 HG23 THR A 68 49.951 -9.844 16.517 1.00 0.00 H new ATOM 1057 N GLY A 69 49.706 -8.018 13.604 1.00 0.00 N ATOM 1058 CA GLY A 69 48.731 -7.208 12.884 1.00 0.00 C ATOM 1059 C GLY A 69 48.332 -7.874 11.572 1.00 0.00 C ATOM 1060 O GLY A 69 48.987 -8.809 11.112 1.00 0.00 O ATOM 0 H GLY A 69 49.536 -9.023 13.565 1.00 0.00 H new ATOM 0 HA2 GLY A 69 47.847 -7.059 13.504 1.00 0.00 H new ATOM 0 HA3 GLY A 69 49.149 -6.222 12.683 1.00 0.00 H new ATOM 1064 N PRO A 70 47.272 -7.409 10.970 1.00 0.00 N ATOM 1065 CA PRO A 70 46.765 -7.962 9.681 1.00 0.00 C ATOM 1066 C PRO A 70 47.879 -8.130 8.650 1.00 0.00 C ATOM 1067 O PRO A 70 47.947 -9.144 7.955 1.00 0.00 O ATOM 1068 CB PRO A 70 45.743 -6.924 9.216 1.00 0.00 C ATOM 1069 CG PRO A 70 45.280 -6.238 10.460 1.00 0.00 C ATOM 1070 CD PRO A 70 46.440 -6.298 11.456 1.00 0.00 C ATOM 0 HA PRO A 70 46.340 -8.958 9.803 1.00 0.00 H new ATOM 0 HB2 PRO A 70 46.192 -6.215 8.520 1.00 0.00 H new ATOM 0 HB3 PRO A 70 44.911 -7.398 8.696 1.00 0.00 H new ATOM 0 HG2 PRO A 70 45.003 -5.205 10.251 1.00 0.00 H new ATOM 0 HG3 PRO A 70 44.396 -6.729 10.866 1.00 0.00 H new ATOM 0 HD2 PRO A 70 46.997 -5.361 11.476 1.00 0.00 H new ATOM 0 HD3 PRO A 70 46.085 -6.480 12.471 1.00 0.00 H new ATOM 1078 N GLN A 71 48.750 -7.131 8.558 1.00 0.00 N ATOM 1079 CA GLN A 71 49.856 -7.178 7.610 1.00 0.00 C ATOM 1080 C GLN A 71 51.157 -7.533 8.321 1.00 0.00 C ATOM 1081 O GLN A 71 52.245 -7.213 7.843 1.00 0.00 O ATOM 1082 CB GLN A 71 50.005 -5.824 6.913 1.00 0.00 C ATOM 1083 CG GLN A 71 48.823 -5.602 5.968 1.00 0.00 C ATOM 1084 CD GLN A 71 48.923 -4.224 5.323 1.00 0.00 C ATOM 1085 OE1 GLN A 71 50.002 -3.816 4.892 1.00 0.00 O ATOM 1086 NE2 GLN A 71 47.857 -3.477 5.230 1.00 0.00 N ATOM 0 H GLN A 71 48.712 -6.284 9.125 1.00 0.00 H new ATOM 0 HA GLN A 71 49.641 -7.946 6.867 1.00 0.00 H new ATOM 0 HB2 GLN A 71 50.047 -5.025 7.653 1.00 0.00 H new ATOM 0 HB3 GLN A 71 50.941 -5.791 6.355 1.00 0.00 H new ATOM 0 HG2 GLN A 71 48.813 -6.373 5.198 1.00 0.00 H new ATOM 0 HG3 GLN A 71 47.886 -5.688 6.518 1.00 0.00 H new ATOM 0 HE21 GLN A 71 46.964 -3.816 5.587 1.00 0.00 H new ATOM 0 HE22 GLN A 71 47.917 -2.554 4.800 1.00 0.00 H new ATOM 1095 N GLU A 72 51.036 -8.196 9.467 1.00 0.00 N ATOM 1096 CA GLU A 72 52.210 -8.590 10.237 1.00 0.00 C ATOM 1097 C GLU A 72 53.195 -9.356 9.360 1.00 0.00 C ATOM 1098 O GLU A 72 54.409 -9.182 9.474 1.00 0.00 O ATOM 1099 CB GLU A 72 51.790 -9.464 11.420 1.00 0.00 C ATOM 1100 CG GLU A 72 51.138 -10.747 10.899 1.00 0.00 C ATOM 1101 CD GLU A 72 50.560 -11.547 12.062 1.00 0.00 C ATOM 1102 OE1 GLU A 72 51.059 -11.397 13.164 1.00 0.00 O ATOM 1103 OE2 GLU A 72 49.626 -12.298 11.831 1.00 0.00 O ATOM 0 H GLU A 72 50.144 -8.470 9.880 1.00 0.00 H new ATOM 0 HA GLU A 72 52.697 -7.688 10.607 1.00 0.00 H new ATOM 0 HB2 GLU A 72 52.658 -9.707 12.033 1.00 0.00 H new ATOM 0 HB3 GLU A 72 51.092 -8.921 12.057 1.00 0.00 H new ATOM 0 HG2 GLU A 72 50.349 -10.501 10.188 1.00 0.00 H new ATOM 0 HG3 GLU A 72 51.874 -11.347 10.364 1.00 0.00 H new ATOM 1110 N GLU A 73 52.665 -10.205 8.486 1.00 0.00 N ATOM 1111 CA GLU A 73 53.508 -10.994 7.595 1.00 0.00 C ATOM 1112 C GLU A 73 54.257 -10.088 6.622 1.00 0.00 C ATOM 1113 O GLU A 73 55.467 -10.222 6.443 1.00 0.00 O ATOM 1114 CB GLU A 73 52.650 -11.989 6.811 1.00 0.00 C ATOM 1115 CG GLU A 73 51.926 -12.920 7.786 1.00 0.00 C ATOM 1116 CD GLU A 73 51.228 -14.038 7.020 1.00 0.00 C ATOM 1117 OE1 GLU A 73 51.332 -14.050 5.804 1.00 0.00 O ATOM 1118 OE2 GLU A 73 50.598 -14.864 7.659 1.00 0.00 O ATOM 0 H GLU A 73 51.664 -10.364 8.376 1.00 0.00 H new ATOM 0 HA GLU A 73 54.234 -11.537 8.199 1.00 0.00 H new ATOM 0 HB2 GLU A 73 51.926 -11.455 6.196 1.00 0.00 H new ATOM 0 HB3 GLU A 73 53.276 -12.570 6.134 1.00 0.00 H new ATOM 0 HG2 GLU A 73 52.638 -13.343 8.494 1.00 0.00 H new ATOM 0 HG3 GLU A 73 51.196 -12.355 8.367 1.00 0.00 H new ATOM 1125 N GLU A 74 53.529 -9.168 5.998 1.00 0.00 N ATOM 1126 CA GLU A 74 54.137 -8.246 5.045 1.00 0.00 C ATOM 1127 C GLU A 74 55.280 -7.474 5.699 1.00 0.00 C ATOM 1128 O GLU A 74 56.373 -7.377 5.143 1.00 0.00 O ATOM 1129 CB GLU A 74 53.085 -7.263 4.527 1.00 0.00 C ATOM 1130 CG GLU A 74 52.083 -8.008 3.643 1.00 0.00 C ATOM 1131 CD GLU A 74 51.119 -7.016 2.999 1.00 0.00 C ATOM 1132 OE1 GLU A 74 51.250 -5.833 3.267 1.00 0.00 O ATOM 1133 OE2 GLU A 74 50.264 -7.455 2.247 1.00 0.00 O ATOM 0 H GLU A 74 52.526 -9.041 6.133 1.00 0.00 H new ATOM 0 HA GLU A 74 54.536 -8.825 4.212 1.00 0.00 H new ATOM 0 HB2 GLU A 74 52.569 -6.792 5.363 1.00 0.00 H new ATOM 0 HB3 GLU A 74 53.565 -6.466 3.959 1.00 0.00 H new ATOM 0 HG2 GLU A 74 52.612 -8.568 2.871 1.00 0.00 H new ATOM 0 HG3 GLU A 74 51.528 -8.733 4.239 1.00 0.00 H new ATOM 1140 N ALA A 75 55.018 -6.928 6.882 1.00 0.00 N ATOM 1141 CA ALA A 75 56.032 -6.167 7.602 1.00 0.00 C ATOM 1142 C ALA A 75 57.275 -7.020 7.839 1.00 0.00 C ATOM 1143 O ALA A 75 58.399 -6.573 7.611 1.00 0.00 O ATOM 1144 CB ALA A 75 55.474 -5.691 8.944 1.00 0.00 C ATOM 0 H ALA A 75 54.119 -6.997 7.359 1.00 0.00 H new ATOM 0 HA ALA A 75 56.308 -5.303 6.997 1.00 0.00 H new ATOM 0 HB1 ALA A 75 56.238 -5.123 9.475 1.00 0.00 H new ATOM 0 HB2 ALA A 75 54.605 -5.056 8.772 1.00 0.00 H new ATOM 0 HB3 ALA A 75 55.181 -6.553 9.543 1.00 0.00 H new ATOM 1150 N LEU A 76 57.063 -8.249 8.297 1.00 0.00 N ATOM 1151 CA LEU A 76 58.174 -9.157 8.562 1.00 0.00 C ATOM 1152 C LEU A 76 58.913 -9.490 7.269 1.00 0.00 C ATOM 1153 O LEU A 76 60.143 -9.483 7.227 1.00 0.00 O ATOM 1154 CB LEU A 76 57.654 -10.446 9.201 1.00 0.00 C ATOM 1155 CG LEU A 76 58.836 -11.341 9.578 1.00 0.00 C ATOM 1156 CD1 LEU A 76 59.660 -10.664 10.675 1.00 0.00 C ATOM 1157 CD2 LEU A 76 58.312 -12.685 10.091 1.00 0.00 C ATOM 0 H LEU A 76 56.140 -8.638 8.491 1.00 0.00 H new ATOM 0 HA LEU A 76 58.865 -8.666 9.247 1.00 0.00 H new ATOM 0 HB2 LEU A 76 57.064 -10.213 10.087 1.00 0.00 H new ATOM 0 HB3 LEU A 76 56.995 -10.968 8.507 1.00 0.00 H new ATOM 0 HG LEU A 76 59.463 -11.504 8.701 1.00 0.00 H new ATOM 0 HD11 LEU A 76 60.502 -11.302 10.944 1.00 0.00 H new ATOM 0 HD12 LEU A 76 60.032 -9.706 10.312 1.00 0.00 H new ATOM 0 HD13 LEU A 76 59.034 -10.501 11.552 1.00 0.00 H new ATOM 0 HD21 LEU A 76 59.153 -13.324 10.360 1.00 0.00 H new ATOM 0 HD22 LEU A 76 57.686 -12.521 10.968 1.00 0.00 H new ATOM 0 HD23 LEU A 76 57.724 -13.168 9.311 1.00 0.00 H new ATOM 1169 N ALA A 77 58.154 -9.782 6.218 1.00 0.00 N ATOM 1170 CA ALA A 77 58.749 -10.115 4.928 1.00 0.00 C ATOM 1171 C ALA A 77 59.581 -8.949 4.404 1.00 0.00 C ATOM 1172 O ALA A 77 60.678 -9.143 3.881 1.00 0.00 O ATOM 1173 CB ALA A 77 57.651 -10.457 3.920 1.00 0.00 C ATOM 0 H ALA A 77 57.134 -9.795 6.233 1.00 0.00 H new ATOM 0 HA ALA A 77 59.401 -10.979 5.061 1.00 0.00 H new ATOM 0 HB1 ALA A 77 58.103 -10.704 2.960 1.00 0.00 H new ATOM 0 HB2 ALA A 77 57.078 -11.311 4.282 1.00 0.00 H new ATOM 0 HB3 ALA A 77 56.988 -9.600 3.799 1.00 0.00 H new ATOM 1179 N ALA A 78 59.050 -7.739 4.546 1.00 0.00 N ATOM 1180 CA ALA A 78 59.754 -6.549 4.083 1.00 0.00 C ATOM 1181 C ALA A 78 61.077 -6.386 4.823 1.00 0.00 C ATOM 1182 O ALA A 78 62.103 -6.072 4.220 1.00 0.00 O ATOM 1183 CB ALA A 78 58.885 -5.309 4.306 1.00 0.00 C ATOM 0 H ALA A 78 58.142 -7.557 4.974 1.00 0.00 H new ATOM 0 HA ALA A 78 59.959 -6.662 3.018 1.00 0.00 H new ATOM 0 HB1 ALA A 78 59.418 -4.424 3.958 1.00 0.00 H new ATOM 0 HB2 ALA A 78 57.953 -5.413 3.751 1.00 0.00 H new ATOM 0 HB3 ALA A 78 58.665 -5.205 5.368 1.00 0.00 H new ATOM 1189 N VAL A 79 61.046 -6.602 6.134 1.00 0.00 N ATOM 1190 CA VAL A 79 62.250 -6.477 6.947 1.00 0.00 C ATOM 1191 C VAL A 79 63.248 -7.575 6.598 1.00 0.00 C ATOM 1192 O VAL A 79 64.443 -7.317 6.446 1.00 0.00 O ATOM 1193 CB VAL A 79 61.890 -6.564 8.431 1.00 0.00 C ATOM 1194 CG1 VAL A 79 63.143 -6.323 9.275 1.00 0.00 C ATOM 1195 CG2 VAL A 79 60.839 -5.502 8.762 1.00 0.00 C ATOM 0 H VAL A 79 60.207 -6.862 6.653 1.00 0.00 H new ATOM 0 HA VAL A 79 62.706 -5.509 6.741 1.00 0.00 H new ATOM 0 HB VAL A 79 61.490 -7.554 8.651 1.00 0.00 H new ATOM 0 HG11 VAL A 79 62.887 -6.385 10.333 1.00 0.00 H new ATOM 0 HG12 VAL A 79 63.892 -7.079 9.038 1.00 0.00 H new ATOM 0 HG13 VAL A 79 63.544 -5.333 9.056 1.00 0.00 H new ATOM 0 HG21 VAL A 79 60.581 -5.562 9.819 1.00 0.00 H new ATOM 0 HG22 VAL A 79 61.240 -4.512 8.542 1.00 0.00 H new ATOM 0 HG23 VAL A 79 59.946 -5.674 8.160 1.00 0.00 H new ATOM 1205 N ILE A 80 62.752 -8.802 6.470 1.00 0.00 N ATOM 1206 CA ILE A 80 63.610 -9.932 6.137 1.00 0.00 C ATOM 1207 C ILE A 80 64.229 -9.744 4.756 1.00 0.00 C ATOM 1208 O ILE A 80 65.409 -10.030 4.549 1.00 0.00 O ATOM 1209 CB ILE A 80 62.800 -11.229 6.164 1.00 0.00 C ATOM 1210 CG1 ILE A 80 62.538 -11.636 7.617 1.00 0.00 C ATOM 1211 CG2 ILE A 80 63.585 -12.337 5.460 1.00 0.00 C ATOM 1212 CD1 ILE A 80 61.604 -12.846 7.648 1.00 0.00 C ATOM 0 H ILE A 80 61.767 -9.037 6.591 1.00 0.00 H new ATOM 0 HA ILE A 80 64.409 -9.989 6.876 1.00 0.00 H new ATOM 0 HB ILE A 80 61.851 -11.074 5.651 1.00 0.00 H new ATOM 0 HG12 ILE A 80 63.478 -11.876 8.114 1.00 0.00 H new ATOM 0 HG13 ILE A 80 62.092 -10.805 8.164 1.00 0.00 H new ATOM 0 HG21 ILE A 80 63.007 -13.261 5.480 1.00 0.00 H new ATOM 0 HG22 ILE A 80 63.773 -12.049 4.426 1.00 0.00 H new ATOM 0 HG23 ILE A 80 64.535 -12.492 5.972 1.00 0.00 H new ATOM 0 HD11 ILE A 80 61.418 -13.135 8.682 1.00 0.00 H new ATOM 0 HD12 ILE A 80 60.660 -12.589 7.167 1.00 0.00 H new ATOM 0 HD13 ILE A 80 62.068 -13.677 7.117 1.00 0.00 H new ATOM 1224 N ALA A 81 63.427 -9.260 3.814 1.00 0.00 N ATOM 1225 CA ALA A 81 63.907 -9.035 2.456 1.00 0.00 C ATOM 1226 C ALA A 81 64.997 -7.968 2.445 1.00 0.00 C ATOM 1227 O ALA A 81 65.940 -8.037 1.657 1.00 0.00 O ATOM 1228 CB ALA A 81 62.750 -8.595 1.557 1.00 0.00 C ATOM 0 H ALA A 81 62.448 -9.017 3.964 1.00 0.00 H new ATOM 0 HA ALA A 81 64.323 -9.969 2.078 1.00 0.00 H new ATOM 0 HB1 ALA A 81 63.119 -8.429 0.545 1.00 0.00 H new ATOM 0 HB2 ALA A 81 61.985 -9.371 1.542 1.00 0.00 H new ATOM 0 HB3 ALA A 81 62.321 -7.670 1.943 1.00 0.00 H new ATOM 1234 N LEU A 82 64.860 -6.983 3.326 1.00 0.00 N ATOM 1235 CA LEU A 82 65.840 -5.906 3.412 1.00 0.00 C ATOM 1236 C LEU A 82 67.131 -6.408 4.051 1.00 0.00 C ATOM 1237 O LEU A 82 68.228 -6.035 3.634 1.00 0.00 O ATOM 1238 CB LEU A 82 65.275 -4.749 4.239 1.00 0.00 C ATOM 1239 CG LEU A 82 64.870 -3.606 3.307 1.00 0.00 C ATOM 1240 CD1 LEU A 82 66.121 -2.995 2.674 1.00 0.00 C ATOM 1241 CD2 LEU A 82 63.954 -4.147 2.206 1.00 0.00 C ATOM 0 H LEU A 82 64.086 -6.908 3.986 1.00 0.00 H new ATOM 0 HA LEU A 82 66.058 -5.557 2.403 1.00 0.00 H new ATOM 0 HB2 LEU A 82 64.413 -5.086 4.814 1.00 0.00 H new ATOM 0 HB3 LEU A 82 66.020 -4.402 4.955 1.00 0.00 H new ATOM 0 HG LEU A 82 64.342 -2.842 3.878 1.00 0.00 H new ATOM 0 HD11 LEU A 82 65.832 -2.180 2.010 1.00 0.00 H new ATOM 0 HD12 LEU A 82 66.774 -2.610 3.457 1.00 0.00 H new ATOM 0 HD13 LEU A 82 66.650 -3.758 2.103 1.00 0.00 H new ATOM 0 HD21 LEU A 82 63.665 -3.333 1.541 1.00 0.00 H new ATOM 0 HD22 LEU A 82 64.482 -4.911 1.636 1.00 0.00 H new ATOM 0 HD23 LEU A 82 63.062 -4.582 2.656 1.00 0.00 H new ATOM 1253 N PHE A 83 66.992 -7.255 5.066 1.00 0.00 N ATOM 1254 CA PHE A 83 68.154 -7.803 5.755 1.00 0.00 C ATOM 1255 C PHE A 83 68.929 -8.741 4.835 1.00 0.00 C ATOM 1256 O PHE A 83 70.153 -8.840 4.921 1.00 0.00 O ATOM 1257 CB PHE A 83 67.709 -8.565 7.004 1.00 0.00 C ATOM 1258 CG PHE A 83 67.466 -7.590 8.131 1.00 0.00 C ATOM 1259 CD1 PHE A 83 66.808 -6.379 7.879 1.00 0.00 C ATOM 1260 CD2 PHE A 83 67.898 -7.894 9.427 1.00 0.00 C ATOM 1261 CE1 PHE A 83 66.583 -5.474 8.923 1.00 0.00 C ATOM 1262 CE2 PHE A 83 67.673 -6.990 10.472 1.00 0.00 C ATOM 1263 CZ PHE A 83 67.015 -5.779 10.218 1.00 0.00 C ATOM 0 H PHE A 83 66.093 -7.575 5.427 1.00 0.00 H new ATOM 0 HA PHE A 83 68.804 -6.977 6.045 1.00 0.00 H new ATOM 0 HB2 PHE A 83 66.800 -9.128 6.794 1.00 0.00 H new ATOM 0 HB3 PHE A 83 68.472 -9.288 7.293 1.00 0.00 H new ATOM 0 HD1 PHE A 83 66.474 -6.144 6.879 1.00 0.00 H new ATOM 0 HD2 PHE A 83 68.406 -8.827 9.621 1.00 0.00 H new ATOM 0 HE1 PHE A 83 66.076 -4.540 8.729 1.00 0.00 H new ATOM 0 HE2 PHE A 83 68.006 -7.225 11.472 1.00 0.00 H new ATOM 0 HZ PHE A 83 66.841 -5.080 11.023 1.00 0.00 H new ATOM 1273 N ASN A 84 68.208 -9.425 3.953 1.00 0.00 N ATOM 1274 CA ASN A 84 68.838 -10.352 3.020 1.00 0.00 C ATOM 1275 C ASN A 84 69.304 -9.617 1.767 1.00 0.00 C ATOM 1276 O ASN A 84 69.968 -10.196 0.907 1.00 0.00 O ATOM 1277 CB ASN A 84 67.849 -11.453 2.630 1.00 0.00 C ATOM 1278 CG ASN A 84 67.476 -12.278 3.857 1.00 0.00 C ATOM 1279 OD1 ASN A 84 68.244 -12.346 4.817 1.00 0.00 O ATOM 1280 ND2 ASN A 84 66.335 -12.911 3.884 1.00 0.00 N ATOM 0 H ASN A 84 67.194 -9.356 3.865 1.00 0.00 H new ATOM 0 HA ASN A 84 69.704 -10.798 3.509 1.00 0.00 H new ATOM 0 HB2 ASN A 84 66.954 -11.011 2.193 1.00 0.00 H new ATOM 0 HB3 ASN A 84 68.290 -12.097 1.869 1.00 0.00 H new ATOM 0 HD21 ASN A 84 66.078 -13.464 4.702 1.00 0.00 H new ATOM 0 HD22 ASN A 84 65.701 -12.853 3.087 1.00 0.00 H new ATOM 1287 N SER A 85 68.952 -8.340 1.672 1.00 0.00 N ATOM 1288 CA SER A 85 69.340 -7.534 0.520 1.00 0.00 C ATOM 1289 C SER A 85 70.232 -6.374 0.951 1.00 0.00 C ATOM 1290 O SER A 85 71.403 -6.398 0.614 1.00 0.00 O ATOM 1291 CB SER A 85 68.094 -6.989 -0.178 1.00 0.00 C ATOM 1292 OG SER A 85 68.483 -6.293 -1.355 1.00 0.00 O ATOM 1293 OXT SER A 85 69.730 -5.482 1.613 1.00 0.00 O ATOM 0 H SER A 85 68.403 -7.843 2.373 1.00 0.00 H new ATOM 0 HA SER A 85 69.897 -8.167 -0.171 1.00 0.00 H new ATOM 0 HB2 SER A 85 67.418 -7.806 -0.431 1.00 0.00 H new ATOM 0 HB3 SER A 85 67.551 -6.321 0.491 1.00 0.00 H new ATOM 0 HG SER A 85 67.687 -5.943 -1.806 1.00 0.00 H new TER 1299 SER A 85