USER MOD reduce.3.24.130724 H: found=0, std=0, add=671, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 670 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 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 TYR OH : rot 180:sc= -0.804 USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.5 USER MOD Single : A 11 ASN : amide:sc= -0.044 K(o=-0.044,f=-2.8) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ -145:sc= -0.0593 (180deg=-0.424) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 158:sc= -0.0958 (180deg=-0.564) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= -0.0173 USER MOD Single : A 36 THR OG1 : rot 180:sc= -0.242 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 42 MET CE :methyl 154:sc= -1.99 (180deg=-4.11!) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=-0.024) USER MOD Single : A 47 ASN : amide:sc= -1.37 K(o=-1.4,f=-5.8!) USER MOD Single : A 50 ASN :FLIP amide:sc= -0.161 F(o=-0.75,f=-0.16) USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.497 USER MOD Single : A 54 GLN : amide:sc= -6.33! C(o=-6.3!,f=-12!) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 HIS : no HD1:sc= 0.183 K(o=0.18,f=-1.2!) USER MOD Single : A 65 CYS SG : rot 180:sc= 0.0154 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= -0.0876 K(o=-0.088,f=-1.8!) USER MOD Single : A 74 LYS NZ :NH3+ -167:sc= -0.0574 (180deg=-0.269) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= -1.32 X(o=-1.3,f=-1.4) USER MOD Single : A 85 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 57 N LYS A 2 15.301 7.252 -1.679 1.00 0.00 N ATOM 58 CA LYS A 2 15.880 8.130 -2.689 1.00 0.00 C ATOM 59 C LYS A 2 17.382 7.895 -2.817 1.00 0.00 C ATOM 60 O LYS A 2 17.956 7.081 -2.094 1.00 0.00 O ATOM 61 CB LYS A 2 15.611 9.594 -2.336 1.00 0.00 C ATOM 62 CG LYS A 2 14.146 9.983 -2.432 1.00 0.00 C ATOM 63 CD LYS A 2 13.687 10.079 -3.877 1.00 0.00 C ATOM 64 CE LYS A 2 13.788 11.504 -4.400 1.00 0.00 C ATOM 65 NZ LYS A 2 12.502 12.241 -4.255 1.00 0.00 N ATOM 0 HA LYS A 2 15.411 7.901 -3.646 1.00 0.00 H new ATOM 0 HB2 LYS A 2 15.963 9.785 -1.322 1.00 0.00 H new ATOM 0 HB3 LYS A 2 16.192 10.232 -3.001 1.00 0.00 H new ATOM 0 HG2 LYS A 2 13.538 9.248 -1.905 1.00 0.00 H new ATOM 0 HG3 LYS A 2 13.990 10.941 -1.936 1.00 0.00 H new ATOM 0 HD2 LYS A 2 14.293 9.419 -4.497 1.00 0.00 H new ATOM 0 HD3 LYS A 2 12.656 9.733 -3.956 1.00 0.00 H new ATOM 0 HE2 LYS A 2 14.573 12.034 -3.861 1.00 0.00 H new ATOM 0 HE3 LYS A 2 14.080 11.486 -5.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 12.612 13.208 -4.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 11.758 11.750 -4.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 12.236 12.281 -3.250 1.00 0.00 H new ATOM 79 N GLU A 3 18.012 8.614 -3.741 1.00 0.00 N ATOM 80 CA GLU A 3 19.447 8.482 -3.962 1.00 0.00 C ATOM 81 C GLU A 3 20.119 9.852 -4.004 1.00 0.00 C ATOM 82 O GLU A 3 19.533 10.828 -4.474 1.00 0.00 O ATOM 83 CB GLU A 3 19.718 7.730 -5.266 1.00 0.00 C ATOM 84 CG GLU A 3 20.834 8.337 -6.099 1.00 0.00 C ATOM 85 CD GLU A 3 21.278 7.430 -7.231 1.00 0.00 C ATOM 86 OE1 GLU A 3 20.449 6.625 -7.705 1.00 0.00 O ATOM 87 OE2 GLU A 3 22.453 7.525 -7.642 1.00 0.00 O ATOM 0 H GLU A 3 17.552 9.293 -4.348 1.00 0.00 H new ATOM 0 HA GLU A 3 19.866 7.915 -3.130 1.00 0.00 H new ATOM 0 HB2 GLU A 3 19.972 6.696 -5.033 1.00 0.00 H new ATOM 0 HB3 GLU A 3 18.804 7.708 -5.859 1.00 0.00 H new ATOM 0 HG2 GLU A 3 20.498 9.288 -6.511 1.00 0.00 H new ATOM 0 HG3 GLU A 3 21.687 8.552 -5.455 1.00 0.00 H new ATOM 94 N ILE A 4 21.350 9.916 -3.509 1.00 0.00 N ATOM 95 CA ILE A 4 22.101 11.165 -3.490 1.00 0.00 C ATOM 96 C ILE A 4 23.334 11.079 -4.383 1.00 0.00 C ATOM 97 O ILE A 4 24.044 10.073 -4.382 1.00 0.00 O ATOM 98 CB ILE A 4 22.541 11.536 -2.061 1.00 0.00 C ATOM 99 CG1 ILE A 4 23.038 12.982 -2.016 1.00 0.00 C ATOM 100 CG2 ILE A 4 23.624 10.583 -1.576 1.00 0.00 C ATOM 101 CD1 ILE A 4 24.511 13.125 -2.330 1.00 0.00 C ATOM 0 H ILE A 4 21.849 9.118 -3.116 1.00 0.00 H new ATOM 0 HA ILE A 4 21.434 11.940 -3.869 1.00 0.00 H new ATOM 0 HB ILE A 4 21.681 11.446 -1.397 1.00 0.00 H new ATOM 0 HG12 ILE A 4 22.464 13.577 -2.726 1.00 0.00 H new ATOM 0 HG13 ILE A 4 22.844 13.394 -1.025 1.00 0.00 H new ATOM 0 HG21 ILE A 4 23.925 10.858 -0.565 1.00 0.00 H new ATOM 0 HG22 ILE A 4 23.238 9.564 -1.575 1.00 0.00 H new ATOM 0 HG23 ILE A 4 24.486 10.644 -2.240 1.00 0.00 H new ATOM 0 HD11 ILE A 4 24.793 14.177 -2.280 1.00 0.00 H new ATOM 0 HD12 ILE A 4 25.094 12.557 -1.605 1.00 0.00 H new ATOM 0 HD13 ILE A 4 24.708 12.744 -3.332 1.00 0.00 H new ATOM 113 N ILE A 5 23.583 12.141 -5.142 1.00 0.00 N ATOM 114 CA ILE A 5 24.733 12.186 -6.038 1.00 0.00 C ATOM 115 C ILE A 5 25.497 13.497 -5.885 1.00 0.00 C ATOM 116 O ILE A 5 24.930 14.580 -6.037 1.00 0.00 O ATOM 117 CB ILE A 5 24.307 12.021 -7.508 1.00 0.00 C ATOM 118 CG1 ILE A 5 23.166 11.007 -7.621 1.00 0.00 C ATOM 119 CG2 ILE A 5 25.493 11.589 -8.358 1.00 0.00 C ATOM 120 CD1 ILE A 5 22.657 10.825 -9.034 1.00 0.00 C ATOM 0 H ILE A 5 23.005 12.981 -5.155 1.00 0.00 H new ATOM 0 HA ILE A 5 25.382 11.355 -5.761 1.00 0.00 H new ATOM 0 HB ILE A 5 23.951 12.983 -7.878 1.00 0.00 H new ATOM 0 HG12 ILE A 5 23.507 10.045 -7.239 1.00 0.00 H new ATOM 0 HG13 ILE A 5 22.341 11.328 -6.985 1.00 0.00 H new ATOM 0 HG21 ILE A 5 25.176 11.477 -9.395 1.00 0.00 H new ATOM 0 HG22 ILE A 5 26.277 12.343 -8.298 1.00 0.00 H new ATOM 0 HG23 ILE A 5 25.876 10.637 -7.991 1.00 0.00 H new ATOM 0 HD11 ILE A 5 21.850 10.093 -9.038 1.00 0.00 H new ATOM 0 HD12 ILE A 5 22.285 11.777 -9.412 1.00 0.00 H new ATOM 0 HD13 ILE A 5 23.469 10.474 -9.671 1.00 0.00 H new ATOM 132 N LEU A 6 26.787 13.391 -5.587 1.00 0.00 N ATOM 133 CA LEU A 6 27.632 14.568 -5.416 1.00 0.00 C ATOM 134 C LEU A 6 28.472 14.822 -6.663 1.00 0.00 C ATOM 135 O LEU A 6 29.168 13.929 -7.147 1.00 0.00 O ATOM 136 CB LEU A 6 28.543 14.394 -4.200 1.00 0.00 C ATOM 137 CG LEU A 6 29.133 12.998 -3.998 1.00 0.00 C ATOM 138 CD1 LEU A 6 30.621 13.085 -3.696 1.00 0.00 C ATOM 139 CD2 LEU A 6 28.403 12.267 -2.881 1.00 0.00 C ATOM 0 H LEU A 6 27.271 12.502 -5.459 1.00 0.00 H new ATOM 0 HA LEU A 6 26.984 15.430 -5.256 1.00 0.00 H new ATOM 0 HB2 LEU A 6 29.365 15.106 -4.282 1.00 0.00 H new ATOM 0 HB3 LEU A 6 27.978 14.661 -3.307 1.00 0.00 H new ATOM 0 HG LEU A 6 29.003 12.433 -4.921 1.00 0.00 H new ATOM 0 HD11 LEU A 6 31.023 12.082 -3.555 1.00 0.00 H new ATOM 0 HD12 LEU A 6 31.133 13.568 -4.528 1.00 0.00 H new ATOM 0 HD13 LEU A 6 30.774 13.668 -2.788 1.00 0.00 H new ATOM 0 HD21 LEU A 6 28.836 11.275 -2.751 1.00 0.00 H new ATOM 0 HD22 LEU A 6 28.501 12.830 -1.953 1.00 0.00 H new ATOM 0 HD23 LEU A 6 27.348 12.171 -3.138 1.00 0.00 H new ATOM 151 N TYR A 7 28.402 16.044 -7.178 1.00 0.00 N ATOM 152 CA TYR A 7 29.156 16.416 -8.370 1.00 0.00 C ATOM 153 C TYR A 7 30.324 17.331 -8.012 1.00 0.00 C ATOM 154 O TYR A 7 30.128 18.473 -7.595 1.00 0.00 O ATOM 155 CB TYR A 7 28.242 17.108 -9.382 1.00 0.00 C ATOM 156 CG TYR A 7 27.213 16.187 -9.997 1.00 0.00 C ATOM 157 CD1 TYR A 7 27.520 15.415 -11.111 1.00 0.00 C ATOM 158 CD2 TYR A 7 25.933 16.089 -9.465 1.00 0.00 C ATOM 159 CE1 TYR A 7 26.583 14.573 -11.677 1.00 0.00 C ATOM 160 CE2 TYR A 7 24.990 15.248 -10.024 1.00 0.00 C ATOM 161 CZ TYR A 7 25.320 14.492 -11.130 1.00 0.00 C ATOM 162 OH TYR A 7 24.382 13.655 -11.690 1.00 0.00 O ATOM 0 H TYR A 7 27.831 16.794 -6.789 1.00 0.00 H new ATOM 0 HA TYR A 7 29.555 15.505 -8.816 1.00 0.00 H new ATOM 0 HB2 TYR A 7 27.730 17.935 -8.890 1.00 0.00 H new ATOM 0 HB3 TYR A 7 28.853 17.538 -10.176 1.00 0.00 H new ATOM 0 HD1 TYR A 7 28.509 15.475 -11.542 1.00 0.00 H new ATOM 0 HD2 TYR A 7 25.671 16.680 -8.600 1.00 0.00 H new ATOM 0 HE1 TYR A 7 26.838 13.981 -12.544 1.00 0.00 H new ATOM 0 HE2 TYR A 7 24.000 15.183 -9.598 1.00 0.00 H new ATOM 0 HH TYR A 7 23.545 13.716 -11.183 1.00 0.00 H new ATOM 172 N THR A 8 31.540 16.821 -8.180 1.00 0.00 N ATOM 173 CA THR A 8 32.740 17.590 -7.875 1.00 0.00 C ATOM 174 C THR A 8 33.999 16.810 -8.236 1.00 0.00 C ATOM 175 O THR A 8 33.924 15.680 -8.717 1.00 0.00 O ATOM 176 CB THR A 8 32.797 17.975 -6.385 1.00 0.00 C ATOM 177 OG1 THR A 8 31.813 17.239 -5.651 1.00 0.00 O ATOM 178 CG2 THR A 8 32.562 19.467 -6.203 1.00 0.00 C ATOM 0 H THR A 8 31.720 15.878 -8.526 1.00 0.00 H new ATOM 0 HA THR A 8 32.694 18.499 -8.475 1.00 0.00 H new ATOM 0 HB THR A 8 33.790 17.731 -6.007 1.00 0.00 H new ATOM 0 HG1 THR A 8 31.857 17.488 -4.704 1.00 0.00 H new ATOM 0 HG21 THR A 8 32.607 19.716 -5.143 1.00 0.00 H new ATOM 0 HG22 THR A 8 33.330 20.024 -6.739 1.00 0.00 H new ATOM 0 HG23 THR A 8 31.581 19.731 -6.597 1.00 0.00 H new ATOM 186 N ARG A 9 35.156 17.420 -7.998 1.00 0.00 N ATOM 187 CA ARG A 9 36.432 16.782 -8.298 1.00 0.00 C ATOM 188 C ARG A 9 36.942 15.995 -7.095 1.00 0.00 C ATOM 189 O ARG A 9 36.558 16.242 -5.952 1.00 0.00 O ATOM 190 CB ARG A 9 37.466 17.831 -8.711 1.00 0.00 C ATOM 191 CG ARG A 9 37.516 19.035 -7.785 1.00 0.00 C ATOM 192 CD ARG A 9 38.705 19.930 -8.097 1.00 0.00 C ATOM 193 NE ARG A 9 38.624 20.500 -9.439 1.00 0.00 N ATOM 194 CZ ARG A 9 39.300 21.577 -9.822 1.00 0.00 C ATOM 195 NH1 ARG A 9 40.105 22.197 -8.969 1.00 0.00 N ATOM 196 NH2 ARG A 9 39.174 22.036 -11.060 1.00 0.00 N ATOM 0 H ARG A 9 35.236 18.355 -7.598 1.00 0.00 H new ATOM 0 HA ARG A 9 36.278 16.089 -9.125 1.00 0.00 H new ATOM 0 HB2 ARG A 9 38.451 17.365 -8.741 1.00 0.00 H new ATOM 0 HB3 ARG A 9 37.243 18.170 -9.722 1.00 0.00 H new ATOM 0 HG2 ARG A 9 36.593 19.608 -7.881 1.00 0.00 H new ATOM 0 HG3 ARG A 9 37.575 18.697 -6.750 1.00 0.00 H new ATOM 0 HD2 ARG A 9 38.755 20.735 -7.364 1.00 0.00 H new ATOM 0 HD3 ARG A 9 39.626 19.355 -8.002 1.00 0.00 H new ATOM 0 HE ARG A 9 38.015 20.046 -10.120 1.00 0.00 H new ATOM 0 HH11 ARG A 9 40.206 21.847 -8.016 1.00 0.00 H new ATOM 0 HH12 ARG A 9 40.623 23.024 -9.266 1.00 0.00 H new ATOM 0 HH21 ARG A 9 38.557 21.562 -11.719 1.00 0.00 H new ATOM 0 HH22 ARG A 9 39.694 22.863 -11.353 1.00 0.00 H new ATOM 210 N PRO A 10 37.829 15.023 -7.356 1.00 0.00 N ATOM 211 CA PRO A 10 38.411 14.180 -6.308 1.00 0.00 C ATOM 212 C PRO A 10 39.373 14.952 -5.411 1.00 0.00 C ATOM 213 O PRO A 10 39.835 14.438 -4.393 1.00 0.00 O ATOM 214 CB PRO A 10 39.162 13.103 -7.095 1.00 0.00 C ATOM 215 CG PRO A 10 39.475 13.740 -8.405 1.00 0.00 C ATOM 216 CD PRO A 10 38.332 14.673 -8.695 1.00 0.00 C ATOM 0 HA PRO A 10 37.651 13.783 -5.635 1.00 0.00 H new ATOM 0 HB2 PRO A 10 40.071 12.796 -6.577 1.00 0.00 H new ATOM 0 HB3 PRO A 10 38.551 12.210 -7.225 1.00 0.00 H new ATOM 0 HG2 PRO A 10 40.419 14.282 -8.360 1.00 0.00 H new ATOM 0 HG3 PRO A 10 39.575 12.990 -9.190 1.00 0.00 H new ATOM 0 HD2 PRO A 10 38.663 15.555 -9.243 1.00 0.00 H new ATOM 0 HD3 PRO A 10 37.564 14.191 -9.300 1.00 0.00 H new ATOM 224 N ASN A 11 39.671 16.189 -5.796 1.00 0.00 N ATOM 225 CA ASN A 11 40.578 17.032 -5.026 1.00 0.00 C ATOM 226 C ASN A 11 39.802 18.048 -4.194 1.00 0.00 C ATOM 227 O ASN A 11 40.261 19.171 -3.979 1.00 0.00 O ATOM 228 CB ASN A 11 41.551 17.756 -5.959 1.00 0.00 C ATOM 229 CG ASN A 11 42.503 16.802 -6.654 1.00 0.00 C ATOM 230 OD1 ASN A 11 42.353 15.583 -6.566 1.00 0.00 O ATOM 231 ND2 ASN A 11 43.489 17.354 -7.351 1.00 0.00 N ATOM 0 H ASN A 11 39.297 16.630 -6.637 1.00 0.00 H new ATOM 0 HA ASN A 11 41.143 16.391 -4.349 1.00 0.00 H new ATOM 0 HB2 ASN A 11 40.987 18.312 -6.708 1.00 0.00 H new ATOM 0 HB3 ASN A 11 42.125 18.485 -5.387 1.00 0.00 H new ATOM 0 HD21 ASN A 11 44.160 16.763 -7.841 1.00 0.00 H new ATOM 0 HD22 ASN A 11 43.575 18.369 -7.397 1.00 0.00 H new ATOM 238 N CYS A 12 38.625 17.647 -3.727 1.00 0.00 N ATOM 239 CA CYS A 12 37.784 18.521 -2.918 1.00 0.00 C ATOM 240 C CYS A 12 37.791 18.083 -1.456 1.00 0.00 C ATOM 241 O CYS A 12 37.020 17.220 -1.037 1.00 0.00 O ATOM 242 CB CYS A 12 36.351 18.524 -3.454 1.00 0.00 C ATOM 243 SG CYS A 12 35.155 19.376 -2.375 1.00 0.00 S ATOM 0 H CYS A 12 38.231 16.721 -3.895 1.00 0.00 H new ATOM 0 HA CYS A 12 38.190 19.531 -2.978 1.00 0.00 H new ATOM 0 HB2 CYS A 12 36.342 19.000 -4.435 1.00 0.00 H new ATOM 0 HB3 CYS A 12 36.026 17.494 -3.597 1.00 0.00 H new ATOM 248 N PRO A 13 38.683 18.692 -0.660 1.00 0.00 N ATOM 249 CA PRO A 13 38.812 18.382 0.766 1.00 0.00 C ATOM 250 C PRO A 13 37.614 18.865 1.576 1.00 0.00 C ATOM 251 O PRO A 13 37.268 18.279 2.602 1.00 0.00 O ATOM 252 CB PRO A 13 40.077 19.138 1.181 1.00 0.00 C ATOM 253 CG PRO A 13 40.187 20.256 0.203 1.00 0.00 C ATOM 254 CD PRO A 13 39.634 19.730 -1.092 1.00 0.00 C ATOM 0 HA PRO A 13 38.862 17.308 0.946 1.00 0.00 H new ATOM 0 HB2 PRO A 13 39.998 19.511 2.202 1.00 0.00 H new ATOM 0 HB3 PRO A 13 40.954 18.492 1.145 1.00 0.00 H new ATOM 0 HG2 PRO A 13 39.626 21.127 0.542 1.00 0.00 H new ATOM 0 HG3 PRO A 13 41.224 20.571 0.085 1.00 0.00 H new ATOM 0 HD2 PRO A 13 39.140 20.514 -1.666 1.00 0.00 H new ATOM 0 HD3 PRO A 13 40.419 19.317 -1.726 1.00 0.00 H new ATOM 262 N TYR A 14 36.984 19.937 1.108 1.00 0.00 N ATOM 263 CA TYR A 14 35.824 20.500 1.790 1.00 0.00 C ATOM 264 C TYR A 14 34.609 19.589 1.641 1.00 0.00 C ATOM 265 O TYR A 14 33.605 19.756 2.334 1.00 0.00 O ATOM 266 CB TYR A 14 35.505 21.889 1.234 1.00 0.00 C ATOM 267 CG TYR A 14 35.064 22.877 2.291 1.00 0.00 C ATOM 268 CD1 TYR A 14 35.862 23.141 3.398 1.00 0.00 C ATOM 269 CD2 TYR A 14 33.851 23.545 2.183 1.00 0.00 C ATOM 270 CE1 TYR A 14 35.463 24.042 4.367 1.00 0.00 C ATOM 271 CE2 TYR A 14 33.445 24.448 3.146 1.00 0.00 C ATOM 272 CZ TYR A 14 34.254 24.694 4.236 1.00 0.00 C ATOM 273 OH TYR A 14 33.852 25.592 5.197 1.00 0.00 O ATOM 0 H TYR A 14 37.257 20.433 0.260 1.00 0.00 H new ATOM 0 HA TYR A 14 36.063 20.586 2.850 1.00 0.00 H new ATOM 0 HB2 TYR A 14 36.388 22.280 0.728 1.00 0.00 H new ATOM 0 HB3 TYR A 14 34.721 21.799 0.482 1.00 0.00 H new ATOM 0 HD1 TYR A 14 36.810 22.634 3.503 1.00 0.00 H new ATOM 0 HD2 TYR A 14 33.214 23.355 1.331 1.00 0.00 H new ATOM 0 HE1 TYR A 14 36.094 24.235 5.222 1.00 0.00 H new ATOM 0 HE2 TYR A 14 32.499 24.959 3.046 1.00 0.00 H new ATOM 0 HH TYR A 14 32.978 25.963 4.953 1.00 0.00 H new ATOM 283 N CYS A 15 34.709 18.625 0.733 1.00 0.00 N ATOM 284 CA CYS A 15 33.620 17.686 0.491 1.00 0.00 C ATOM 285 C CYS A 15 33.514 16.672 1.626 1.00 0.00 C ATOM 286 O CYS A 15 32.461 16.072 1.843 1.00 0.00 O ATOM 287 CB CYS A 15 33.830 16.959 -0.839 1.00 0.00 C ATOM 288 SG CYS A 15 33.582 18.009 -2.307 1.00 0.00 S ATOM 0 H CYS A 15 35.533 18.473 0.152 1.00 0.00 H new ATOM 0 HA CYS A 15 32.690 18.252 0.444 1.00 0.00 H new ATOM 0 HB2 CYS A 15 34.841 16.552 -0.863 1.00 0.00 H new ATOM 0 HB3 CYS A 15 33.145 16.113 -0.891 1.00 0.00 H new ATOM 293 N LYS A 16 34.614 16.485 2.349 1.00 0.00 N ATOM 294 CA LYS A 16 34.647 15.545 3.464 1.00 0.00 C ATOM 295 C LYS A 16 33.443 15.744 4.379 1.00 0.00 C ATOM 296 O LYS A 16 32.927 14.788 4.958 1.00 0.00 O ATOM 297 CB LYS A 16 35.941 15.714 4.262 1.00 0.00 C ATOM 298 CG LYS A 16 37.184 15.277 3.506 1.00 0.00 C ATOM 299 CD LYS A 16 38.449 15.817 4.151 1.00 0.00 C ATOM 300 CE LYS A 16 38.752 15.107 5.462 1.00 0.00 C ATOM 301 NZ LYS A 16 40.117 15.428 5.963 1.00 0.00 N ATOM 0 H LYS A 16 35.495 16.972 2.182 1.00 0.00 H new ATOM 0 HA LYS A 16 34.608 14.535 3.056 1.00 0.00 H new ATOM 0 HB2 LYS A 16 36.048 16.761 4.546 1.00 0.00 H new ATOM 0 HB3 LYS A 16 35.866 15.139 5.185 1.00 0.00 H new ATOM 0 HG2 LYS A 16 37.227 14.188 3.474 1.00 0.00 H new ATOM 0 HG3 LYS A 16 37.124 15.624 2.474 1.00 0.00 H new ATOM 0 HD2 LYS A 16 39.289 15.694 3.467 1.00 0.00 H new ATOM 0 HD3 LYS A 16 38.339 16.886 4.332 1.00 0.00 H new ATOM 0 HE2 LYS A 16 38.013 15.395 6.210 1.00 0.00 H new ATOM 0 HE3 LYS A 16 38.660 14.030 5.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 40.286 14.925 6.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 40.824 15.130 5.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 40.197 16.453 6.121 1.00 0.00 H new ATOM 315 N ARG A 17 33.000 16.991 4.504 1.00 0.00 N ATOM 316 CA ARG A 17 31.857 17.315 5.349 1.00 0.00 C ATOM 317 C ARG A 17 30.585 16.658 4.818 1.00 0.00 C ATOM 318 O ARG A 17 29.901 15.934 5.540 1.00 0.00 O ATOM 319 CB ARG A 17 31.666 18.831 5.427 1.00 0.00 C ATOM 320 CG ARG A 17 32.604 19.512 6.410 1.00 0.00 C ATOM 321 CD ARG A 17 33.981 19.736 5.803 1.00 0.00 C ATOM 322 NE ARG A 17 34.786 20.659 6.598 1.00 0.00 N ATOM 323 CZ ARG A 17 36.086 20.854 6.404 1.00 0.00 C ATOM 324 NH1 ARG A 17 36.723 20.196 5.446 1.00 0.00 N ATOM 325 NH2 ARG A 17 36.750 21.711 7.169 1.00 0.00 N ATOM 0 H ARG A 17 33.415 17.793 4.031 1.00 0.00 H new ATOM 0 HA ARG A 17 32.055 16.929 6.349 1.00 0.00 H new ATOM 0 HB2 ARG A 17 31.818 19.259 4.436 1.00 0.00 H new ATOM 0 HB3 ARG A 17 30.636 19.045 5.712 1.00 0.00 H new ATOM 0 HG2 ARG A 17 32.180 20.468 6.716 1.00 0.00 H new ATOM 0 HG3 ARG A 17 32.696 18.902 7.309 1.00 0.00 H new ATOM 0 HD2 ARG A 17 34.500 18.781 5.720 1.00 0.00 H new ATOM 0 HD3 ARG A 17 33.872 20.128 4.792 1.00 0.00 H new ATOM 0 HE ARG A 17 34.326 21.182 7.343 1.00 0.00 H new ATOM 0 HH11 ARG A 17 36.215 19.538 4.855 1.00 0.00 H new ATOM 0 HH12 ARG A 17 37.721 20.348 5.300 1.00 0.00 H new ATOM 0 HH21 ARG A 17 36.263 22.220 7.906 1.00 0.00 H new ATOM 0 HH22 ARG A 17 37.748 21.861 7.020 1.00 0.00 H new ATOM 339 N ALA A 18 30.276 16.918 3.552 1.00 0.00 N ATOM 340 CA ALA A 18 29.088 16.352 2.925 1.00 0.00 C ATOM 341 C ALA A 18 29.111 14.828 2.982 1.00 0.00 C ATOM 342 O ALA A 18 28.195 14.205 3.520 1.00 0.00 O ATOM 343 CB ALA A 18 28.976 16.826 1.483 1.00 0.00 C ATOM 0 H ALA A 18 30.831 17.517 2.941 1.00 0.00 H new ATOM 0 HA ALA A 18 28.215 16.698 3.479 1.00 0.00 H new ATOM 0 HB1 ALA A 18 28.084 16.396 1.027 1.00 0.00 H new ATOM 0 HB2 ALA A 18 28.906 17.914 1.462 1.00 0.00 H new ATOM 0 HB3 ALA A 18 29.858 16.509 0.926 1.00 0.00 H new ATOM 349 N ARG A 19 30.161 14.235 2.425 1.00 0.00 N ATOM 350 CA ARG A 19 30.301 12.784 2.412 1.00 0.00 C ATOM 351 C ARG A 19 30.179 12.213 3.821 1.00 0.00 C ATOM 352 O ARG A 19 29.629 11.129 4.018 1.00 0.00 O ATOM 353 CB ARG A 19 31.647 12.385 1.803 1.00 0.00 C ATOM 354 CG ARG A 19 32.827 12.614 2.733 1.00 0.00 C ATOM 355 CD ARG A 19 34.138 12.200 2.081 1.00 0.00 C ATOM 356 NE ARG A 19 35.116 11.742 3.064 1.00 0.00 N ATOM 357 CZ ARG A 19 36.344 11.346 2.748 1.00 0.00 C ATOM 358 NH1 ARG A 19 36.743 11.354 1.484 1.00 0.00 N ATOM 359 NH2 ARG A 19 37.178 10.943 3.699 1.00 0.00 N ATOM 0 H ARG A 19 30.928 14.737 1.977 1.00 0.00 H new ATOM 0 HA ARG A 19 29.497 12.373 1.801 1.00 0.00 H new ATOM 0 HB2 ARG A 19 31.613 11.331 1.526 1.00 0.00 H new ATOM 0 HB3 ARG A 19 31.803 12.951 0.885 1.00 0.00 H new ATOM 0 HG2 ARG A 19 32.874 13.667 3.011 1.00 0.00 H new ATOM 0 HG3 ARG A 19 32.682 12.048 3.653 1.00 0.00 H new ATOM 0 HD2 ARG A 19 33.949 11.405 1.360 1.00 0.00 H new ATOM 0 HD3 ARG A 19 34.549 13.043 1.526 1.00 0.00 H new ATOM 0 HE ARG A 19 34.841 11.725 4.046 1.00 0.00 H new ATOM 0 HH11 ARG A 19 36.106 11.665 0.750 1.00 0.00 H new ATOM 0 HH12 ARG A 19 37.687 11.049 1.245 1.00 0.00 H new ATOM 0 HH21 ARG A 19 36.876 10.937 4.673 1.00 0.00 H new ATOM 0 HH22 ARG A 19 38.121 10.639 3.455 1.00 0.00 H new ATOM 373 N ASP A 20 30.697 12.949 4.799 1.00 0.00 N ATOM 374 CA ASP A 20 30.646 12.517 6.191 1.00 0.00 C ATOM 375 C ASP A 20 29.205 12.446 6.685 1.00 0.00 C ATOM 376 O ASP A 20 28.831 11.523 7.411 1.00 0.00 O ATOM 377 CB ASP A 20 31.454 13.470 7.073 1.00 0.00 C ATOM 378 CG ASP A 20 32.913 13.069 7.173 1.00 0.00 C ATOM 379 OD1 ASP A 20 33.312 12.108 6.483 1.00 0.00 O ATOM 380 OD2 ASP A 20 33.655 13.715 7.942 1.00 0.00 O ATOM 0 H ASP A 20 31.157 13.848 4.653 1.00 0.00 H new ATOM 0 HA ASP A 20 31.082 11.520 6.253 1.00 0.00 H new ATOM 0 HB2 ASP A 20 31.385 14.480 6.670 1.00 0.00 H new ATOM 0 HB3 ASP A 20 31.018 13.494 8.072 1.00 0.00 H new ATOM 385 N LEU A 21 28.400 13.426 6.289 1.00 0.00 N ATOM 386 CA LEU A 21 26.999 13.475 6.693 1.00 0.00 C ATOM 387 C LEU A 21 26.229 12.282 6.136 1.00 0.00 C ATOM 388 O LEU A 21 25.513 11.595 6.866 1.00 0.00 O ATOM 389 CB LEU A 21 26.356 14.779 6.216 1.00 0.00 C ATOM 390 CG LEU A 21 25.093 15.215 6.959 1.00 0.00 C ATOM 391 CD1 LEU A 21 25.399 16.372 7.898 1.00 0.00 C ATOM 392 CD2 LEU A 21 24.000 15.602 5.973 1.00 0.00 C ATOM 0 H LEU A 21 28.693 14.197 5.689 1.00 0.00 H new ATOM 0 HA LEU A 21 26.959 13.433 7.781 1.00 0.00 H new ATOM 0 HB2 LEU A 21 27.095 15.576 6.298 1.00 0.00 H new ATOM 0 HB3 LEU A 21 26.114 14.676 5.158 1.00 0.00 H new ATOM 0 HG LEU A 21 24.737 14.374 7.554 1.00 0.00 H new ATOM 0 HD11 LEU A 21 24.488 16.669 8.418 1.00 0.00 H new ATOM 0 HD12 LEU A 21 26.148 16.061 8.626 1.00 0.00 H new ATOM 0 HD13 LEU A 21 25.780 17.216 7.323 1.00 0.00 H new ATOM 0 HD21 LEU A 21 23.109 15.910 6.520 1.00 0.00 H new ATOM 0 HD22 LEU A 21 24.347 16.427 5.351 1.00 0.00 H new ATOM 0 HD23 LEU A 21 23.761 14.747 5.341 1.00 0.00 H new ATOM 404 N LEU A 22 26.383 12.038 4.839 1.00 0.00 N ATOM 405 CA LEU A 22 25.704 10.926 4.184 1.00 0.00 C ATOM 406 C LEU A 22 26.080 9.599 4.835 1.00 0.00 C ATOM 407 O LEU A 22 25.214 8.850 5.286 1.00 0.00 O ATOM 408 CB LEU A 22 26.055 10.894 2.695 1.00 0.00 C ATOM 409 CG LEU A 22 26.076 12.246 1.981 1.00 0.00 C ATOM 410 CD1 LEU A 22 26.476 12.075 0.524 1.00 0.00 C ATOM 411 CD2 LEU A 22 24.719 12.926 2.088 1.00 0.00 C ATOM 0 H LEU A 22 26.972 12.595 4.220 1.00 0.00 H new ATOM 0 HA LEU A 22 24.630 11.073 4.295 1.00 0.00 H new ATOM 0 HB2 LEU A 22 27.036 10.431 2.583 1.00 0.00 H new ATOM 0 HB3 LEU A 22 25.338 10.249 2.187 1.00 0.00 H new ATOM 0 HG LEU A 22 26.817 12.880 2.467 1.00 0.00 H new ATOM 0 HD11 LEU A 22 26.485 13.048 0.033 1.00 0.00 H new ATOM 0 HD12 LEU A 22 27.470 11.631 0.469 1.00 0.00 H new ATOM 0 HD13 LEU A 22 25.760 11.423 0.024 1.00 0.00 H new ATOM 0 HD21 LEU A 22 24.752 13.887 1.574 1.00 0.00 H new ATOM 0 HD22 LEU A 22 23.958 12.295 1.628 1.00 0.00 H new ATOM 0 HD23 LEU A 22 24.473 13.084 3.138 1.00 0.00 H new ATOM 423 N ASP A 23 27.377 9.315 4.882 1.00 0.00 N ATOM 424 CA ASP A 23 27.869 8.080 5.481 1.00 0.00 C ATOM 425 C ASP A 23 27.456 7.985 6.946 1.00 0.00 C ATOM 426 O ASP A 23 27.235 6.894 7.471 1.00 0.00 O ATOM 427 CB ASP A 23 29.392 8.000 5.360 1.00 0.00 C ATOM 428 CG ASP A 23 29.893 6.571 5.289 1.00 0.00 C ATOM 429 OD1 ASP A 23 29.367 5.798 4.461 1.00 0.00 O ATOM 430 OD2 ASP A 23 30.812 6.226 6.061 1.00 0.00 O ATOM 0 H ASP A 23 28.107 9.924 4.512 1.00 0.00 H new ATOM 0 HA ASP A 23 27.426 7.242 4.943 1.00 0.00 H new ATOM 0 HB2 ASP A 23 29.711 8.539 4.468 1.00 0.00 H new ATOM 0 HB3 ASP A 23 29.848 8.500 6.215 1.00 0.00 H new ATOM 435 N LYS A 24 27.356 9.136 7.603 1.00 0.00 N ATOM 436 CA LYS A 24 26.970 9.184 9.008 1.00 0.00 C ATOM 437 C LYS A 24 25.531 8.714 9.194 1.00 0.00 C ATOM 438 O LYS A 24 25.224 7.977 10.131 1.00 0.00 O ATOM 439 CB LYS A 24 27.127 10.606 9.553 1.00 0.00 C ATOM 440 CG LYS A 24 26.607 10.776 10.970 1.00 0.00 C ATOM 441 CD LYS A 24 27.387 9.923 11.956 1.00 0.00 C ATOM 442 CE LYS A 24 26.861 10.089 13.374 1.00 0.00 C ATOM 443 NZ LYS A 24 26.797 11.521 13.778 1.00 0.00 N ATOM 0 H LYS A 24 27.537 10.048 7.184 1.00 0.00 H new ATOM 0 HA LYS A 24 27.627 8.514 9.562 1.00 0.00 H new ATOM 0 HB2 LYS A 24 28.181 10.882 9.526 1.00 0.00 H new ATOM 0 HB3 LYS A 24 26.600 11.298 8.896 1.00 0.00 H new ATOM 0 HG2 LYS A 24 26.676 11.824 11.260 1.00 0.00 H new ATOM 0 HG3 LYS A 24 25.552 10.504 11.007 1.00 0.00 H new ATOM 0 HD2 LYS A 24 27.322 8.875 11.663 1.00 0.00 H new ATOM 0 HD3 LYS A 24 28.441 10.199 11.923 1.00 0.00 H new ATOM 0 HE2 LYS A 24 25.868 9.646 13.447 1.00 0.00 H new ATOM 0 HE3 LYS A 24 27.504 9.545 14.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 27.022 11.607 14.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 27.485 12.069 13.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 25.840 11.888 13.604 1.00 0.00 H new ATOM 457 N LYS A 25 24.652 9.143 8.294 1.00 0.00 N ATOM 458 CA LYS A 25 23.246 8.764 8.356 1.00 0.00 C ATOM 459 C LYS A 25 23.059 7.300 7.971 1.00 0.00 C ATOM 460 O LYS A 25 22.168 6.623 8.481 1.00 0.00 O ATOM 461 CB LYS A 25 22.415 9.656 7.431 1.00 0.00 C ATOM 462 CG LYS A 25 22.410 11.119 7.840 1.00 0.00 C ATOM 463 CD LYS A 25 21.941 11.295 9.275 1.00 0.00 C ATOM 464 CE LYS A 25 21.372 12.686 9.508 1.00 0.00 C ATOM 465 NZ LYS A 25 21.503 13.108 10.930 1.00 0.00 N ATOM 0 H LYS A 25 24.889 9.754 7.513 1.00 0.00 H new ATOM 0 HA LYS A 25 22.905 8.897 9.383 1.00 0.00 H new ATOM 0 HB2 LYS A 25 22.802 9.573 6.416 1.00 0.00 H new ATOM 0 HB3 LYS A 25 21.389 9.289 7.412 1.00 0.00 H new ATOM 0 HG2 LYS A 25 23.413 11.532 7.731 1.00 0.00 H new ATOM 0 HG3 LYS A 25 21.759 11.682 7.172 1.00 0.00 H new ATOM 0 HD2 LYS A 25 21.182 10.547 9.505 1.00 0.00 H new ATOM 0 HD3 LYS A 25 22.775 11.123 9.955 1.00 0.00 H new ATOM 0 HE2 LYS A 25 21.888 13.401 8.868 1.00 0.00 H new ATOM 0 HE3 LYS A 25 20.321 12.701 9.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 21.104 14.061 11.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 20.989 12.440 11.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 22.508 13.118 11.198 1.00 0.00 H new ATOM 479 N GLY A 26 23.908 6.818 7.068 1.00 0.00 N ATOM 480 CA GLY A 26 23.820 5.437 6.631 1.00 0.00 C ATOM 481 C GLY A 26 23.143 5.297 5.282 1.00 0.00 C ATOM 482 O GLY A 26 22.198 4.522 5.130 1.00 0.00 O ATOM 0 H GLY A 26 24.655 7.359 6.632 1.00 0.00 H new ATOM 0 HA2 GLY A 26 24.822 5.012 6.577 1.00 0.00 H new ATOM 0 HA3 GLY A 26 23.268 4.859 7.372 1.00 0.00 H new ATOM 486 N VAL A 27 23.625 6.051 4.299 1.00 0.00 N ATOM 487 CA VAL A 27 23.060 6.008 2.955 1.00 0.00 C ATOM 488 C VAL A 27 24.146 5.780 1.910 1.00 0.00 C ATOM 489 O VAL A 27 25.337 5.788 2.222 1.00 0.00 O ATOM 490 CB VAL A 27 22.307 7.310 2.622 1.00 0.00 C ATOM 491 CG1 VAL A 27 20.886 7.257 3.160 1.00 0.00 C ATOM 492 CG2 VAL A 27 23.053 8.514 3.178 1.00 0.00 C ATOM 0 H VAL A 27 24.405 6.699 4.408 1.00 0.00 H new ATOM 0 HA VAL A 27 22.358 5.175 2.932 1.00 0.00 H new ATOM 0 HB VAL A 27 22.256 7.413 1.538 1.00 0.00 H new ATOM 0 HG11 VAL A 27 20.369 8.185 2.915 1.00 0.00 H new ATOM 0 HG12 VAL A 27 20.357 6.418 2.709 1.00 0.00 H new ATOM 0 HG13 VAL A 27 20.911 7.130 4.242 1.00 0.00 H new ATOM 0 HG21 VAL A 27 22.507 9.425 2.933 1.00 0.00 H new ATOM 0 HG22 VAL A 27 23.138 8.421 4.261 1.00 0.00 H new ATOM 0 HG23 VAL A 27 24.049 8.559 2.739 1.00 0.00 H new ATOM 502 N LYS A 28 23.727 5.576 0.665 1.00 0.00 N ATOM 503 CA LYS A 28 24.663 5.347 -0.430 1.00 0.00 C ATOM 504 C LYS A 28 24.754 6.573 -1.333 1.00 0.00 C ATOM 505 O LYS A 28 23.790 6.932 -2.008 1.00 0.00 O ATOM 506 CB LYS A 28 24.232 4.128 -1.249 1.00 0.00 C ATOM 507 CG LYS A 28 25.277 3.027 -1.294 1.00 0.00 C ATOM 508 CD LYS A 28 24.921 1.882 -0.360 1.00 0.00 C ATOM 509 CE LYS A 28 23.794 1.031 -0.925 1.00 0.00 C ATOM 510 NZ LYS A 28 24.169 0.405 -2.223 1.00 0.00 N ATOM 0 H LYS A 28 22.745 5.565 0.389 1.00 0.00 H new ATOM 0 HA LYS A 28 25.647 5.160 -0.001 1.00 0.00 H new ATOM 0 HB2 LYS A 28 23.310 3.726 -0.829 1.00 0.00 H new ATOM 0 HB3 LYS A 28 24.007 4.446 -2.267 1.00 0.00 H new ATOM 0 HG2 LYS A 28 25.368 2.652 -2.313 1.00 0.00 H new ATOM 0 HG3 LYS A 28 26.249 3.435 -1.017 1.00 0.00 H new ATOM 0 HD2 LYS A 28 25.800 1.260 -0.194 1.00 0.00 H new ATOM 0 HD3 LYS A 28 24.626 2.281 0.610 1.00 0.00 H new ATOM 0 HE2 LYS A 28 23.533 0.252 -0.208 1.00 0.00 H new ATOM 0 HE3 LYS A 28 22.906 1.649 -1.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 23.570 -0.428 -2.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 24.032 1.092 -2.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 25.167 0.114 -2.192 1.00 0.00 H new ATOM 524 N TYR A 29 25.920 7.210 -1.340 1.00 0.00 N ATOM 525 CA TYR A 29 26.137 8.397 -2.160 1.00 0.00 C ATOM 526 C TYR A 29 26.993 8.067 -3.379 1.00 0.00 C ATOM 527 O TYR A 29 27.912 7.250 -3.306 1.00 0.00 O ATOM 528 CB TYR A 29 26.806 9.497 -1.335 1.00 0.00 C ATOM 529 CG TYR A 29 28.205 9.146 -0.879 1.00 0.00 C ATOM 530 CD1 TYR A 29 29.294 9.309 -1.726 1.00 0.00 C ATOM 531 CD2 TYR A 29 28.436 8.653 0.399 1.00 0.00 C ATOM 532 CE1 TYR A 29 30.573 8.989 -1.314 1.00 0.00 C ATOM 533 CE2 TYR A 29 29.712 8.332 0.821 1.00 0.00 C ATOM 534 CZ TYR A 29 30.777 8.501 -0.040 1.00 0.00 C ATOM 535 OH TYR A 29 32.050 8.182 0.375 1.00 0.00 O ATOM 0 H TYR A 29 26.729 6.925 -0.788 1.00 0.00 H new ATOM 0 HA TYR A 29 25.166 8.752 -2.506 1.00 0.00 H new ATOM 0 HB2 TYR A 29 26.845 10.411 -1.927 1.00 0.00 H new ATOM 0 HB3 TYR A 29 26.190 9.709 -0.461 1.00 0.00 H new ATOM 0 HD1 TYR A 29 29.138 9.692 -2.724 1.00 0.00 H new ATOM 0 HD2 TYR A 29 27.604 8.518 1.074 1.00 0.00 H new ATOM 0 HE1 TYR A 29 31.409 9.120 -1.986 1.00 0.00 H new ATOM 0 HE2 TYR A 29 29.875 7.951 1.818 1.00 0.00 H new ATOM 0 HH TYR A 29 32.021 7.853 1.298 1.00 0.00 H new ATOM 545 N THR A 30 26.686 8.711 -4.501 1.00 0.00 N ATOM 546 CA THR A 30 27.425 8.488 -5.737 1.00 0.00 C ATOM 547 C THR A 30 28.365 9.651 -6.033 1.00 0.00 C ATOM 548 O THR A 30 27.923 10.782 -6.236 1.00 0.00 O ATOM 549 CB THR A 30 26.474 8.293 -6.933 1.00 0.00 C ATOM 550 OG1 THR A 30 25.690 7.110 -6.748 1.00 0.00 O ATOM 551 CG2 THR A 30 27.256 8.192 -8.235 1.00 0.00 C ATOM 0 H THR A 30 25.930 9.391 -4.579 1.00 0.00 H new ATOM 0 HA THR A 30 28.010 7.579 -5.596 1.00 0.00 H new ATOM 0 HB THR A 30 25.815 9.159 -6.990 1.00 0.00 H new ATOM 0 HG1 THR A 30 25.087 6.994 -7.512 1.00 0.00 H new ATOM 0 HG21 THR A 30 26.564 8.055 -9.066 1.00 0.00 H new ATOM 0 HG22 THR A 30 27.829 9.107 -8.387 1.00 0.00 H new ATOM 0 HG23 THR A 30 27.937 7.342 -8.186 1.00 0.00 H new ATOM 559 N ASP A 31 29.662 9.365 -6.057 1.00 0.00 N ATOM 560 CA ASP A 31 30.665 10.388 -6.331 1.00 0.00 C ATOM 561 C ASP A 31 30.847 10.583 -7.833 1.00 0.00 C ATOM 562 O ASP A 31 31.222 9.653 -8.548 1.00 0.00 O ATOM 563 CB ASP A 31 32.000 10.009 -5.688 1.00 0.00 C ATOM 564 CG ASP A 31 32.598 8.755 -6.293 1.00 0.00 C ATOM 565 OD1 ASP A 31 31.868 7.749 -6.419 1.00 0.00 O ATOM 566 OD2 ASP A 31 33.797 8.778 -6.641 1.00 0.00 O ATOM 0 H ASP A 31 30.044 8.434 -5.890 1.00 0.00 H new ATOM 0 HA ASP A 31 30.317 11.327 -5.901 1.00 0.00 H new ATOM 0 HB2 ASP A 31 32.702 10.835 -5.802 1.00 0.00 H new ATOM 0 HB3 ASP A 31 31.855 9.859 -4.618 1.00 0.00 H new ATOM 571 N ILE A 32 30.578 11.795 -8.304 1.00 0.00 N ATOM 572 CA ILE A 32 30.712 12.111 -9.721 1.00 0.00 C ATOM 573 C ILE A 32 31.927 12.998 -9.974 1.00 0.00 C ATOM 574 O ILE A 32 32.013 14.112 -9.457 1.00 0.00 O ATOM 575 CB ILE A 32 29.454 12.815 -10.263 1.00 0.00 C ATOM 576 CG1 ILE A 32 28.208 11.978 -9.969 1.00 0.00 C ATOM 577 CG2 ILE A 32 29.590 13.067 -11.757 1.00 0.00 C ATOM 578 CD1 ILE A 32 28.264 10.585 -10.557 1.00 0.00 C ATOM 0 H ILE A 32 30.266 12.575 -7.726 1.00 0.00 H new ATOM 0 HA ILE A 32 30.841 11.164 -10.244 1.00 0.00 H new ATOM 0 HB ILE A 32 29.349 13.777 -9.761 1.00 0.00 H new ATOM 0 HG12 ILE A 32 28.077 11.903 -8.890 1.00 0.00 H new ATOM 0 HG13 ILE A 32 27.332 12.495 -10.362 1.00 0.00 H new ATOM 0 HG21 ILE A 32 28.693 13.565 -12.125 1.00 0.00 H new ATOM 0 HG22 ILE A 32 30.458 13.700 -11.942 1.00 0.00 H new ATOM 0 HG23 ILE A 32 29.716 12.117 -12.276 1.00 0.00 H new ATOM 0 HD11 ILE A 32 27.348 10.048 -10.309 1.00 0.00 H new ATOM 0 HD12 ILE A 32 28.364 10.651 -11.640 1.00 0.00 H new ATOM 0 HD13 ILE A 32 29.120 10.051 -10.146 1.00 0.00 H new ATOM 590 N ASP A 33 32.862 12.497 -10.774 1.00 0.00 N ATOM 591 CA ASP A 33 34.071 13.245 -11.098 1.00 0.00 C ATOM 592 C ASP A 33 33.739 14.478 -11.934 1.00 0.00 C ATOM 593 O ASP A 33 32.842 14.447 -12.776 1.00 0.00 O ATOM 594 CB ASP A 33 35.060 12.355 -11.852 1.00 0.00 C ATOM 595 CG ASP A 33 34.395 11.554 -12.954 1.00 0.00 C ATOM 596 OD1 ASP A 33 33.326 11.982 -13.435 1.00 0.00 O ATOM 597 OD2 ASP A 33 34.944 10.498 -13.334 1.00 0.00 O ATOM 0 H ASP A 33 32.806 11.576 -11.210 1.00 0.00 H new ATOM 0 HA ASP A 33 34.527 13.573 -10.164 1.00 0.00 H new ATOM 0 HB2 ASP A 33 35.847 12.975 -12.282 1.00 0.00 H new ATOM 0 HB3 ASP A 33 35.539 11.673 -11.150 1.00 0.00 H new ATOM 602 N ALA A 34 34.469 15.563 -11.694 1.00 0.00 N ATOM 603 CA ALA A 34 34.252 16.806 -12.424 1.00 0.00 C ATOM 604 C ALA A 34 34.405 16.593 -13.926 1.00 0.00 C ATOM 605 O ALA A 34 33.927 17.396 -14.728 1.00 0.00 O ATOM 606 CB ALA A 34 35.218 17.877 -11.940 1.00 0.00 C ATOM 0 H ALA A 34 35.215 15.606 -11.000 1.00 0.00 H new ATOM 0 HA ALA A 34 33.232 17.139 -12.232 1.00 0.00 H new ATOM 0 HB1 ALA A 34 35.045 18.800 -12.493 1.00 0.00 H new ATOM 0 HB2 ALA A 34 35.059 18.056 -10.877 1.00 0.00 H new ATOM 0 HB3 ALA A 34 36.243 17.543 -12.103 1.00 0.00 H new ATOM 612 N SER A 35 35.073 15.507 -14.301 1.00 0.00 N ATOM 613 CA SER A 35 35.292 15.191 -15.708 1.00 0.00 C ATOM 614 C SER A 35 33.997 15.329 -16.503 1.00 0.00 C ATOM 615 O SER A 35 33.104 14.485 -16.411 1.00 0.00 O ATOM 616 CB SER A 35 35.845 13.773 -15.854 1.00 0.00 C ATOM 617 OG SER A 35 36.102 13.463 -17.213 1.00 0.00 O ATOM 0 H SER A 35 35.472 14.831 -13.650 1.00 0.00 H new ATOM 0 HA SER A 35 36.019 15.899 -16.105 1.00 0.00 H new ATOM 0 HB2 SER A 35 36.764 13.676 -15.276 1.00 0.00 H new ATOM 0 HB3 SER A 35 35.133 13.057 -15.443 1.00 0.00 H new ATOM 0 HG SER A 35 36.456 12.552 -17.279 1.00 0.00 H new ATOM 623 N THR A 36 33.902 16.399 -17.286 1.00 0.00 N ATOM 624 CA THR A 36 32.717 16.650 -18.097 1.00 0.00 C ATOM 625 C THR A 36 32.386 15.446 -18.972 1.00 0.00 C ATOM 626 O THR A 36 31.234 15.247 -19.359 1.00 0.00 O ATOM 627 CB THR A 36 32.903 17.887 -18.995 1.00 0.00 C ATOM 628 OG1 THR A 36 31.876 17.927 -19.993 1.00 0.00 O ATOM 629 CG2 THR A 36 34.268 17.870 -19.665 1.00 0.00 C ATOM 0 H THR A 36 34.632 17.106 -17.376 1.00 0.00 H new ATOM 0 HA THR A 36 31.893 16.832 -17.407 1.00 0.00 H new ATOM 0 HB THR A 36 32.835 18.776 -18.369 1.00 0.00 H new ATOM 0 HG1 THR A 36 32.000 18.717 -20.559 1.00 0.00 H new ATOM 0 HG21 THR A 36 34.376 18.754 -20.294 1.00 0.00 H new ATOM 0 HG22 THR A 36 35.047 17.870 -18.903 1.00 0.00 H new ATOM 0 HG23 THR A 36 34.361 16.974 -20.279 1.00 0.00 H new ATOM 637 N SER A 37 33.401 14.646 -19.280 1.00 0.00 N ATOM 638 CA SER A 37 33.218 13.463 -20.113 1.00 0.00 C ATOM 639 C SER A 37 32.049 12.621 -19.610 1.00 0.00 C ATOM 640 O SER A 37 31.360 11.965 -20.391 1.00 0.00 O ATOM 641 CB SER A 37 34.496 12.623 -20.131 1.00 0.00 C ATOM 642 OG SER A 37 35.536 13.291 -20.824 1.00 0.00 O ATOM 0 H SER A 37 34.360 14.795 -18.965 1.00 0.00 H new ATOM 0 HA SER A 37 32.995 13.794 -21.127 1.00 0.00 H new ATOM 0 HB2 SER A 37 34.812 12.414 -19.109 1.00 0.00 H new ATOM 0 HB3 SER A 37 34.297 11.662 -20.606 1.00 0.00 H new ATOM 0 HG SER A 37 36.342 12.734 -20.820 1.00 0.00 H new ATOM 648 N LEU A 38 31.832 12.645 -18.299 1.00 0.00 N ATOM 649 CA LEU A 38 30.747 11.884 -17.690 1.00 0.00 C ATOM 650 C LEU A 38 29.822 12.798 -16.892 1.00 0.00 C ATOM 651 O LEU A 38 28.610 12.585 -16.847 1.00 0.00 O ATOM 652 CB LEU A 38 31.312 10.792 -16.780 1.00 0.00 C ATOM 653 CG LEU A 38 32.291 9.815 -17.433 1.00 0.00 C ATOM 654 CD1 LEU A 38 32.895 8.888 -16.389 1.00 0.00 C ATOM 655 CD2 LEU A 38 31.596 9.012 -18.523 1.00 0.00 C ATOM 0 H LEU A 38 32.393 13.183 -17.638 1.00 0.00 H new ATOM 0 HA LEU A 38 30.169 11.420 -18.489 1.00 0.00 H new ATOM 0 HB2 LEU A 38 31.814 11.271 -15.939 1.00 0.00 H new ATOM 0 HB3 LEU A 38 30.479 10.221 -16.370 1.00 0.00 H new ATOM 0 HG LEU A 38 33.097 10.389 -17.890 1.00 0.00 H new ATOM 0 HD11 LEU A 38 33.589 8.200 -16.871 1.00 0.00 H new ATOM 0 HD12 LEU A 38 33.428 9.478 -15.644 1.00 0.00 H new ATOM 0 HD13 LEU A 38 32.101 8.321 -15.903 1.00 0.00 H new ATOM 0 HD21 LEU A 38 32.308 8.322 -18.977 1.00 0.00 H new ATOM 0 HD22 LEU A 38 30.770 8.448 -18.089 1.00 0.00 H new ATOM 0 HD23 LEU A 38 31.212 9.690 -19.285 1.00 0.00 H new ATOM 667 N ARG A 39 30.402 13.817 -16.266 1.00 0.00 N ATOM 668 CA ARG A 39 29.629 14.764 -15.471 1.00 0.00 C ATOM 669 C ARG A 39 28.576 15.461 -16.328 1.00 0.00 C ATOM 670 O ARG A 39 27.464 15.722 -15.870 1.00 0.00 O ATOM 671 CB ARG A 39 30.555 15.804 -14.836 1.00 0.00 C ATOM 672 CG ARG A 39 29.825 16.832 -13.988 1.00 0.00 C ATOM 673 CD ARG A 39 29.373 18.022 -14.821 1.00 0.00 C ATOM 674 NE ARG A 39 29.373 19.261 -14.049 1.00 0.00 N ATOM 675 CZ ARG A 39 28.533 19.504 -13.048 1.00 0.00 C ATOM 676 NH1 ARG A 39 27.631 18.597 -12.701 1.00 0.00 N ATOM 677 NH2 ARG A 39 28.595 20.657 -12.394 1.00 0.00 N ATOM 0 H ARG A 39 31.404 14.008 -16.294 1.00 0.00 H new ATOM 0 HA ARG A 39 29.121 14.209 -14.682 1.00 0.00 H new ATOM 0 HB2 ARG A 39 31.292 15.292 -14.217 1.00 0.00 H new ATOM 0 HB3 ARG A 39 31.104 16.319 -15.624 1.00 0.00 H new ATOM 0 HG2 ARG A 39 28.959 16.367 -13.516 1.00 0.00 H new ATOM 0 HG3 ARG A 39 30.479 17.175 -13.187 1.00 0.00 H new ATOM 0 HD2 ARG A 39 30.031 18.132 -15.683 1.00 0.00 H new ATOM 0 HD3 ARG A 39 28.371 17.835 -15.207 1.00 0.00 H new ATOM 0 HE ARG A 39 30.055 19.980 -14.291 1.00 0.00 H new ATOM 0 HH11 ARG A 39 27.580 17.710 -13.202 1.00 0.00 H new ATOM 0 HH12 ARG A 39 26.987 18.786 -11.932 1.00 0.00 H new ATOM 0 HH21 ARG A 39 29.288 21.357 -12.659 1.00 0.00 H new ATOM 0 HH22 ARG A 39 27.950 20.843 -11.626 1.00 0.00 H new ATOM 691 N GLN A 40 28.936 15.760 -17.572 1.00 0.00 N ATOM 692 CA GLN A 40 28.022 16.427 -18.492 1.00 0.00 C ATOM 693 C GLN A 40 26.798 15.560 -18.768 1.00 0.00 C ATOM 694 O GLN A 40 25.673 16.056 -18.817 1.00 0.00 O ATOM 695 CB GLN A 40 28.735 16.757 -19.804 1.00 0.00 C ATOM 696 CG GLN A 40 27.822 17.364 -20.857 1.00 0.00 C ATOM 697 CD GLN A 40 28.506 17.524 -22.200 1.00 0.00 C ATOM 698 OE1 GLN A 40 29.438 16.789 -22.527 1.00 0.00 O ATOM 699 NE2 GLN A 40 28.046 18.489 -22.988 1.00 0.00 N ATOM 0 H GLN A 40 29.853 15.551 -17.966 1.00 0.00 H new ATOM 0 HA GLN A 40 27.690 17.354 -18.025 1.00 0.00 H new ATOM 0 HB2 GLN A 40 29.551 17.450 -19.600 1.00 0.00 H new ATOM 0 HB3 GLN A 40 29.182 15.847 -20.204 1.00 0.00 H new ATOM 0 HG2 GLN A 40 26.941 16.734 -20.975 1.00 0.00 H new ATOM 0 HG3 GLN A 40 27.474 18.338 -20.513 1.00 0.00 H new ATOM 0 HE21 GLN A 40 27.271 19.075 -22.677 1.00 0.00 H new ATOM 0 HE22 GLN A 40 28.467 18.644 -23.904 1.00 0.00 H new ATOM 708 N GLU A 41 27.026 14.263 -18.949 1.00 0.00 N ATOM 709 CA GLU A 41 25.941 13.328 -19.222 1.00 0.00 C ATOM 710 C GLU A 41 25.020 13.195 -18.013 1.00 0.00 C ATOM 711 O GLU A 41 23.797 13.226 -18.145 1.00 0.00 O ATOM 712 CB GLU A 41 26.504 11.956 -19.601 1.00 0.00 C ATOM 713 CG GLU A 41 27.711 12.026 -20.521 1.00 0.00 C ATOM 714 CD GLU A 41 27.471 12.905 -21.733 1.00 0.00 C ATOM 715 OE1 GLU A 41 26.345 12.874 -22.273 1.00 0.00 O ATOM 716 OE2 GLU A 41 28.407 13.622 -22.141 1.00 0.00 O ATOM 0 H GLU A 41 27.952 13.836 -18.912 1.00 0.00 H new ATOM 0 HA GLU A 41 25.361 13.719 -20.058 1.00 0.00 H new ATOM 0 HB2 GLU A 41 26.781 11.423 -18.692 1.00 0.00 H new ATOM 0 HB3 GLU A 41 25.721 11.373 -20.086 1.00 0.00 H new ATOM 0 HG2 GLU A 41 28.566 12.408 -19.964 1.00 0.00 H new ATOM 0 HG3 GLU A 41 27.970 11.020 -20.852 1.00 0.00 H new ATOM 723 N MET A 42 25.617 13.048 -16.835 1.00 0.00 N ATOM 724 CA MET A 42 24.851 12.911 -15.601 1.00 0.00 C ATOM 725 C MET A 42 24.100 14.200 -15.283 1.00 0.00 C ATOM 726 O MET A 42 22.890 14.185 -15.054 1.00 0.00 O ATOM 727 CB MET A 42 25.775 12.545 -14.439 1.00 0.00 C ATOM 728 CG MET A 42 26.404 11.168 -14.573 1.00 0.00 C ATOM 729 SD MET A 42 25.831 10.017 -13.308 1.00 0.00 S ATOM 730 CE MET A 42 27.271 8.967 -13.129 1.00 0.00 C ATOM 0 H MET A 42 26.629 13.021 -16.708 1.00 0.00 H new ATOM 0 HA MET A 42 24.123 12.112 -15.741 1.00 0.00 H new ATOM 0 HB2 MET A 42 26.566 13.291 -14.366 1.00 0.00 H new ATOM 0 HB3 MET A 42 25.209 12.588 -13.508 1.00 0.00 H new ATOM 0 HG2 MET A 42 26.175 10.762 -15.558 1.00 0.00 H new ATOM 0 HG3 MET A 42 27.488 11.260 -14.511 1.00 0.00 H new ATOM 0 HE1 MET A 42 27.281 8.531 -12.130 1.00 0.00 H new ATOM 0 HE2 MET A 42 27.235 8.171 -13.872 1.00 0.00 H new ATOM 0 HE3 MET A 42 28.174 9.560 -13.275 1.00 0.00 H new ATOM 740 N VAL A 43 24.824 15.315 -15.269 1.00 0.00 N ATOM 741 CA VAL A 43 24.226 16.612 -14.979 1.00 0.00 C ATOM 742 C VAL A 43 23.126 16.946 -15.981 1.00 0.00 C ATOM 743 O VAL A 43 22.150 17.615 -15.644 1.00 0.00 O ATOM 744 CB VAL A 43 25.282 17.734 -14.999 1.00 0.00 C ATOM 745 CG1 VAL A 43 25.703 18.046 -16.427 1.00 0.00 C ATOM 746 CG2 VAL A 43 24.748 18.979 -14.308 1.00 0.00 C ATOM 0 H VAL A 43 25.826 15.345 -15.455 1.00 0.00 H new ATOM 0 HA VAL A 43 23.796 16.546 -13.980 1.00 0.00 H new ATOM 0 HB VAL A 43 26.161 17.392 -14.453 1.00 0.00 H new ATOM 0 HG11 VAL A 43 26.449 18.841 -16.421 1.00 0.00 H new ATOM 0 HG12 VAL A 43 26.128 17.153 -16.884 1.00 0.00 H new ATOM 0 HG13 VAL A 43 24.834 18.369 -17.000 1.00 0.00 H new ATOM 0 HG21 VAL A 43 25.506 19.762 -14.331 1.00 0.00 H new ATOM 0 HG22 VAL A 43 23.853 19.326 -14.824 1.00 0.00 H new ATOM 0 HG23 VAL A 43 24.501 18.743 -13.273 1.00 0.00 H new ATOM 756 N GLN A 44 23.292 16.476 -17.213 1.00 0.00 N ATOM 757 CA GLN A 44 22.313 16.725 -18.264 1.00 0.00 C ATOM 758 C GLN A 44 21.031 15.939 -18.010 1.00 0.00 C ATOM 759 O GLN A 44 19.934 16.497 -18.039 1.00 0.00 O ATOM 760 CB GLN A 44 22.893 16.352 -19.629 1.00 0.00 C ATOM 761 CG GLN A 44 23.652 17.486 -20.298 1.00 0.00 C ATOM 762 CD GLN A 44 22.738 18.450 -21.028 1.00 0.00 C ATOM 763 OE1 GLN A 44 21.984 18.055 -21.918 1.00 0.00 O ATOM 764 NE2 GLN A 44 22.800 19.723 -20.655 1.00 0.00 N ATOM 0 H GLN A 44 24.095 15.921 -17.508 1.00 0.00 H new ATOM 0 HA GLN A 44 22.073 17.788 -18.258 1.00 0.00 H new ATOM 0 HB2 GLN A 44 23.561 15.499 -19.510 1.00 0.00 H new ATOM 0 HB3 GLN A 44 22.082 16.032 -20.284 1.00 0.00 H new ATOM 0 HG2 GLN A 44 24.221 18.031 -19.545 1.00 0.00 H new ATOM 0 HG3 GLN A 44 24.372 17.070 -21.003 1.00 0.00 H new ATOM 0 HE21 GLN A 44 23.440 20.006 -19.913 1.00 0.00 H new ATOM 0 HE22 GLN A 44 22.208 20.417 -21.111 1.00 0.00 H new ATOM 773 N ARG A 45 21.177 14.642 -17.763 1.00 0.00 N ATOM 774 CA ARG A 45 20.030 13.779 -17.507 1.00 0.00 C ATOM 775 C ARG A 45 19.463 14.029 -16.112 1.00 0.00 C ATOM 776 O ARG A 45 18.384 13.543 -15.774 1.00 0.00 O ATOM 777 CB ARG A 45 20.428 12.309 -17.651 1.00 0.00 C ATOM 778 CG ARG A 45 19.243 11.357 -17.683 1.00 0.00 C ATOM 779 CD ARG A 45 18.322 11.654 -18.856 1.00 0.00 C ATOM 780 NE ARG A 45 19.049 11.715 -20.121 1.00 0.00 N ATOM 781 CZ ARG A 45 18.540 12.223 -21.237 1.00 0.00 C ATOM 782 NH1 ARG A 45 17.307 12.711 -21.245 1.00 0.00 N ATOM 783 NH2 ARG A 45 19.264 12.244 -22.349 1.00 0.00 N ATOM 0 H ARG A 45 22.078 14.165 -17.735 1.00 0.00 H new ATOM 0 HA ARG A 45 19.260 14.013 -18.242 1.00 0.00 H new ATOM 0 HB2 ARG A 45 21.007 12.186 -18.566 1.00 0.00 H new ATOM 0 HB3 ARG A 45 21.081 12.035 -16.822 1.00 0.00 H new ATOM 0 HG2 ARG A 45 19.602 10.330 -17.751 1.00 0.00 H new ATOM 0 HG3 ARG A 45 18.684 11.438 -16.751 1.00 0.00 H new ATOM 0 HD2 ARG A 45 17.553 10.884 -18.917 1.00 0.00 H new ATOM 0 HD3 ARG A 45 17.812 12.602 -18.685 1.00 0.00 H new ATOM 0 HE ARG A 45 20.000 11.347 -20.149 1.00 0.00 H new ATOM 0 HH11 ARG A 45 16.747 12.697 -20.392 1.00 0.00 H new ATOM 0 HH12 ARG A 45 16.918 13.101 -22.104 1.00 0.00 H new ATOM 0 HH21 ARG A 45 20.213 11.870 -22.347 1.00 0.00 H new ATOM 0 HH22 ARG A 45 18.872 12.635 -23.206 1.00 0.00 H new ATOM 797 N ALA A 46 20.198 14.790 -15.308 1.00 0.00 N ATOM 798 CA ALA A 46 19.768 15.105 -13.951 1.00 0.00 C ATOM 799 C ALA A 46 18.962 16.400 -13.918 1.00 0.00 C ATOM 800 O ALA A 46 17.959 16.500 -13.213 1.00 0.00 O ATOM 801 CB ALA A 46 20.971 15.206 -13.026 1.00 0.00 C ATOM 0 H ALA A 46 21.094 15.200 -15.573 1.00 0.00 H new ATOM 0 HA ALA A 46 19.124 14.297 -13.603 1.00 0.00 H new ATOM 0 HB1 ALA A 46 20.635 15.442 -12.016 1.00 0.00 H new ATOM 0 HB2 ALA A 46 21.505 14.256 -13.018 1.00 0.00 H new ATOM 0 HB3 ALA A 46 21.637 15.993 -13.380 1.00 0.00 H new ATOM 807 N ASN A 47 19.409 17.389 -14.685 1.00 0.00 N ATOM 808 CA ASN A 47 18.730 18.678 -14.742 1.00 0.00 C ATOM 809 C ASN A 47 18.625 19.175 -16.181 1.00 0.00 C ATOM 810 O ASN A 47 17.644 19.815 -16.557 1.00 0.00 O ATOM 811 CB ASN A 47 19.473 19.708 -13.888 1.00 0.00 C ATOM 812 CG ASN A 47 20.965 19.717 -14.161 1.00 0.00 C ATOM 813 OD1 ASN A 47 21.731 19.010 -13.506 1.00 0.00 O ATOM 814 ND2 ASN A 47 21.383 20.520 -15.132 1.00 0.00 N ATOM 0 H ASN A 47 20.238 17.322 -15.275 1.00 0.00 H new ATOM 0 HA ASN A 47 17.723 18.547 -14.347 1.00 0.00 H new ATOM 0 HB2 ASN A 47 19.065 20.700 -14.083 1.00 0.00 H new ATOM 0 HB3 ASN A 47 19.301 19.494 -12.833 1.00 0.00 H new ATOM 0 HD21 ASN A 47 22.376 20.569 -15.362 1.00 0.00 H new ATOM 0 HD22 ASN A 47 20.712 21.088 -15.648 1.00 0.00 H new ATOM 821 N GLY A 48 19.643 18.874 -16.981 1.00 0.00 N ATOM 822 CA GLY A 48 19.646 19.296 -18.369 1.00 0.00 C ATOM 823 C GLY A 48 20.312 20.644 -18.564 1.00 0.00 C ATOM 824 O GLY A 48 19.753 21.534 -19.204 1.00 0.00 O ATOM 0 H GLY A 48 20.466 18.345 -16.692 1.00 0.00 H new ATOM 0 HA2 GLY A 48 20.162 18.549 -18.972 1.00 0.00 H new ATOM 0 HA3 GLY A 48 18.620 19.345 -18.733 1.00 0.00 H new ATOM 828 N ARG A 49 21.511 20.795 -18.009 1.00 0.00 N ATOM 829 CA ARG A 49 22.253 22.045 -18.123 1.00 0.00 C ATOM 830 C ARG A 49 23.637 21.915 -17.493 1.00 0.00 C ATOM 831 O ARG A 49 23.790 21.326 -16.424 1.00 0.00 O ATOM 832 CB ARG A 49 21.481 23.184 -17.454 1.00 0.00 C ATOM 833 CG ARG A 49 22.179 24.531 -17.550 1.00 0.00 C ATOM 834 CD ARG A 49 21.807 25.260 -18.831 1.00 0.00 C ATOM 835 NE ARG A 49 22.264 26.647 -18.823 1.00 0.00 N ATOM 836 CZ ARG A 49 22.325 27.407 -19.911 1.00 0.00 C ATOM 837 NH1 ARG A 49 21.959 26.917 -21.088 1.00 0.00 N ATOM 838 NH2 ARG A 49 22.753 28.660 -19.824 1.00 0.00 N ATOM 0 H ARG A 49 21.988 20.068 -17.477 1.00 0.00 H new ATOM 0 HA ARG A 49 22.375 22.271 -19.182 1.00 0.00 H new ATOM 0 HB2 ARG A 49 20.495 23.262 -17.912 1.00 0.00 H new ATOM 0 HB3 ARG A 49 21.326 22.939 -16.403 1.00 0.00 H new ATOM 0 HG2 ARG A 49 21.910 25.144 -16.690 1.00 0.00 H new ATOM 0 HG3 ARG A 49 23.259 24.386 -17.513 1.00 0.00 H new ATOM 0 HD2 ARG A 49 22.243 24.740 -19.684 1.00 0.00 H new ATOM 0 HD3 ARG A 49 20.725 25.235 -18.961 1.00 0.00 H new ATOM 0 HE ARG A 49 22.552 27.055 -17.933 1.00 0.00 H new ATOM 0 HH11 ARG A 49 21.630 25.954 -21.160 1.00 0.00 H new ATOM 0 HH12 ARG A 49 22.007 27.503 -21.922 1.00 0.00 H new ATOM 0 HH21 ARG A 49 23.036 29.041 -18.921 1.00 0.00 H new ATOM 0 HH22 ARG A 49 22.799 29.242 -20.660 1.00 0.00 H new ATOM 852 N ASN A 50 24.641 22.468 -18.165 1.00 0.00 N ATOM 853 CA ASN A 50 26.013 22.413 -17.672 1.00 0.00 C ATOM 854 C ASN A 50 26.346 23.656 -16.853 1.00 0.00 C ATOM 855 O ASN A 50 26.043 24.780 -17.256 1.00 0.00 O ATOM 856 CB ASN A 50 26.992 22.280 -18.840 1.00 0.00 C ATOM 857 CG ASN A 50 26.454 21.394 -19.947 1.00 0.00 C ATOM 858 OD1 ASN A 50 26.126 20.153 -19.605 1.00 0.00 O flip ATOM 859 ND2 ASN A 50 26.335 21.820 -21.096 1.00 0.00 N flip ATOM 0 H ASN A 50 24.531 22.959 -19.052 1.00 0.00 H new ATOM 0 HA ASN A 50 26.107 21.539 -17.028 1.00 0.00 H new ATOM 0 HB2 ASN A 50 27.209 23.269 -19.243 1.00 0.00 H new ATOM 0 HB3 ASN A 50 27.934 21.870 -18.476 1.00 0.00 H new ATOM 0 HD21 ASN A 50 26.599 22.781 -21.314 1.00 0.00 H new ATOM 0 HD22 ASN A 50 25.972 21.212 -21.830 1.00 0.00 H new ATOM 866 N THR A 51 26.974 23.448 -15.700 1.00 0.00 N ATOM 867 CA THR A 51 27.349 24.551 -14.823 1.00 0.00 C ATOM 868 C THR A 51 28.377 24.106 -13.789 1.00 0.00 C ATOM 869 O THR A 51 28.919 23.003 -13.872 1.00 0.00 O ATOM 870 CB THR A 51 26.123 25.131 -14.095 1.00 0.00 C ATOM 871 OG1 THR A 51 24.920 24.579 -14.643 1.00 0.00 O ATOM 872 CG2 THR A 51 26.090 26.647 -14.213 1.00 0.00 C ATOM 0 H THR A 51 27.234 22.525 -15.351 1.00 0.00 H new ATOM 0 HA THR A 51 27.785 25.324 -15.456 1.00 0.00 H new ATOM 0 HB THR A 51 26.196 24.866 -13.040 1.00 0.00 H new ATOM 0 HG1 THR A 51 24.145 24.952 -14.173 1.00 0.00 H new ATOM 0 HG21 THR A 51 25.215 27.034 -13.691 1.00 0.00 H new ATOM 0 HG22 THR A 51 26.993 27.066 -13.768 1.00 0.00 H new ATOM 0 HG23 THR A 51 26.039 26.929 -15.265 1.00 0.00 H new ATOM 880 N PHE A 52 28.641 24.970 -12.815 1.00 0.00 N ATOM 881 CA PHE A 52 29.605 24.666 -11.764 1.00 0.00 C ATOM 882 C PHE A 52 29.184 23.424 -10.983 1.00 0.00 C ATOM 883 O PHE A 52 28.024 23.012 -11.001 1.00 0.00 O ATOM 884 CB PHE A 52 29.747 25.856 -10.813 1.00 0.00 C ATOM 885 CG PHE A 52 30.752 26.873 -11.272 1.00 0.00 C ATOM 886 CD1 PHE A 52 30.516 27.638 -12.403 1.00 0.00 C ATOM 887 CD2 PHE A 52 31.933 27.065 -10.573 1.00 0.00 C ATOM 888 CE1 PHE A 52 31.440 28.574 -12.828 1.00 0.00 C ATOM 889 CE2 PHE A 52 32.860 28.000 -10.993 1.00 0.00 C ATOM 890 CZ PHE A 52 32.613 28.756 -12.122 1.00 0.00 C ATOM 0 H PHE A 52 28.201 25.886 -12.731 1.00 0.00 H new ATOM 0 HA PHE A 52 30.568 24.469 -12.235 1.00 0.00 H new ATOM 0 HB2 PHE A 52 28.777 26.340 -10.702 1.00 0.00 H new ATOM 0 HB3 PHE A 52 30.036 25.491 -9.827 1.00 0.00 H new ATOM 0 HD1 PHE A 52 29.600 27.501 -12.959 1.00 0.00 H new ATOM 0 HD2 PHE A 52 32.131 26.477 -9.689 1.00 0.00 H new ATOM 0 HE1 PHE A 52 31.245 29.163 -13.712 1.00 0.00 H new ATOM 0 HE2 PHE A 52 33.777 28.139 -10.439 1.00 0.00 H new ATOM 0 HZ PHE A 52 33.335 29.488 -12.452 1.00 0.00 H new ATOM 900 N PRO A 53 30.150 22.812 -10.280 1.00 0.00 N ATOM 901 CA PRO A 53 29.904 21.609 -9.480 1.00 0.00 C ATOM 902 C PRO A 53 29.054 21.896 -8.247 1.00 0.00 C ATOM 903 O PRO A 53 29.190 22.946 -7.619 1.00 0.00 O ATOM 904 CB PRO A 53 31.310 21.165 -9.067 1.00 0.00 C ATOM 905 CG PRO A 53 32.127 22.410 -9.104 1.00 0.00 C ATOM 906 CD PRO A 53 31.554 23.249 -10.213 1.00 0.00 C ATOM 0 HA PRO A 53 29.350 20.855 -10.038 1.00 0.00 H new ATOM 0 HB2 PRO A 53 31.309 20.722 -8.071 1.00 0.00 H new ATOM 0 HB3 PRO A 53 31.704 20.413 -9.750 1.00 0.00 H new ATOM 0 HG2 PRO A 53 32.078 22.937 -8.151 1.00 0.00 H new ATOM 0 HG3 PRO A 53 33.177 22.182 -9.289 1.00 0.00 H new ATOM 0 HD2 PRO A 53 31.633 24.314 -9.994 1.00 0.00 H new ATOM 0 HD3 PRO A 53 32.074 23.078 -11.156 1.00 0.00 H new ATOM 914 N GLN A 54 28.177 20.957 -7.907 1.00 0.00 N ATOM 915 CA GLN A 54 27.304 21.111 -6.749 1.00 0.00 C ATOM 916 C GLN A 54 26.893 19.752 -6.193 1.00 0.00 C ATOM 917 O GLN A 54 27.287 18.711 -6.719 1.00 0.00 O ATOM 918 CB GLN A 54 26.060 21.919 -7.125 1.00 0.00 C ATOM 919 CG GLN A 54 25.210 21.261 -8.200 1.00 0.00 C ATOM 920 CD GLN A 54 24.370 20.119 -7.662 1.00 0.00 C ATOM 921 OE1 GLN A 54 23.396 20.336 -6.941 1.00 0.00 O ATOM 922 NE2 GLN A 54 24.743 18.894 -8.011 1.00 0.00 N ATOM 0 H GLN A 54 28.052 20.082 -8.416 1.00 0.00 H new ATOM 0 HA GLN A 54 27.857 21.647 -5.977 1.00 0.00 H new ATOM 0 HB2 GLN A 54 25.451 22.069 -6.233 1.00 0.00 H new ATOM 0 HB3 GLN A 54 26.368 22.906 -7.471 1.00 0.00 H new ATOM 0 HG2 GLN A 54 24.556 22.008 -8.649 1.00 0.00 H new ATOM 0 HG3 GLN A 54 25.858 20.888 -8.993 1.00 0.00 H new ATOM 0 HE21 GLN A 54 25.557 18.760 -8.611 1.00 0.00 H new ATOM 0 HE22 GLN A 54 24.215 18.086 -7.680 1.00 0.00 H new ATOM 931 N ILE A 55 26.100 19.770 -5.127 1.00 0.00 N ATOM 932 CA ILE A 55 25.636 18.538 -4.500 1.00 0.00 C ATOM 933 C ILE A 55 24.214 18.202 -4.935 1.00 0.00 C ATOM 934 O ILE A 55 23.274 18.947 -4.654 1.00 0.00 O ATOM 935 CB ILE A 55 25.681 18.637 -2.964 1.00 0.00 C ATOM 936 CG1 ILE A 55 27.127 18.773 -2.482 1.00 0.00 C ATOM 937 CG2 ILE A 55 25.019 17.419 -2.335 1.00 0.00 C ATOM 938 CD1 ILE A 55 27.664 20.184 -2.573 1.00 0.00 C ATOM 0 H ILE A 55 25.765 20.623 -4.680 1.00 0.00 H new ATOM 0 HA ILE A 55 26.310 17.745 -4.825 1.00 0.00 H new ATOM 0 HB ILE A 55 25.130 19.525 -2.655 1.00 0.00 H new ATOM 0 HG12 ILE A 55 27.190 18.435 -1.448 1.00 0.00 H new ATOM 0 HG13 ILE A 55 27.762 18.112 -3.072 1.00 0.00 H new ATOM 0 HG21 ILE A 55 25.059 17.504 -1.249 1.00 0.00 H new ATOM 0 HG22 ILE A 55 23.979 17.363 -2.657 1.00 0.00 H new ATOM 0 HG23 ILE A 55 25.545 16.517 -2.648 1.00 0.00 H new ATOM 0 HD11 ILE A 55 28.693 20.205 -2.215 1.00 0.00 H new ATOM 0 HD12 ILE A 55 27.633 20.519 -3.610 1.00 0.00 H new ATOM 0 HD13 ILE A 55 27.053 20.846 -1.960 1.00 0.00 H new ATOM 950 N PHE A 56 24.062 17.075 -5.622 1.00 0.00 N ATOM 951 CA PHE A 56 22.753 16.639 -6.096 1.00 0.00 C ATOM 952 C PHE A 56 22.119 15.657 -5.115 1.00 0.00 C ATOM 953 O PHE A 56 22.765 14.712 -4.661 1.00 0.00 O ATOM 954 CB PHE A 56 22.877 15.990 -7.476 1.00 0.00 C ATOM 955 CG PHE A 56 22.017 16.639 -8.523 1.00 0.00 C ATOM 956 CD1 PHE A 56 20.637 16.535 -8.466 1.00 0.00 C ATOM 957 CD2 PHE A 56 22.589 17.354 -9.563 1.00 0.00 C ATOM 958 CE1 PHE A 56 19.843 17.130 -9.429 1.00 0.00 C ATOM 959 CE2 PHE A 56 21.801 17.952 -10.528 1.00 0.00 C ATOM 960 CZ PHE A 56 20.426 17.840 -10.460 1.00 0.00 C ATOM 0 H PHE A 56 24.829 16.447 -5.863 1.00 0.00 H new ATOM 0 HA PHE A 56 22.111 17.516 -6.171 1.00 0.00 H new ATOM 0 HB2 PHE A 56 23.918 16.031 -7.796 1.00 0.00 H new ATOM 0 HB3 PHE A 56 22.609 14.936 -7.399 1.00 0.00 H new ATOM 0 HD1 PHE A 56 20.176 15.983 -7.660 1.00 0.00 H new ATOM 0 HD2 PHE A 56 23.664 17.445 -9.620 1.00 0.00 H new ATOM 0 HE1 PHE A 56 18.768 17.040 -9.375 1.00 0.00 H new ATOM 0 HE2 PHE A 56 22.259 18.506 -11.334 1.00 0.00 H new ATOM 0 HZ PHE A 56 19.808 18.307 -11.212 1.00 0.00 H new ATOM 970 N ILE A 57 20.851 15.888 -4.792 1.00 0.00 N ATOM 971 CA ILE A 57 20.129 15.024 -3.866 1.00 0.00 C ATOM 972 C ILE A 57 18.710 14.758 -4.356 1.00 0.00 C ATOM 973 O ILE A 57 17.978 15.684 -4.703 1.00 0.00 O ATOM 974 CB ILE A 57 20.067 15.639 -2.455 1.00 0.00 C ATOM 975 CG1 ILE A 57 19.198 16.898 -2.462 1.00 0.00 C ATOM 976 CG2 ILE A 57 21.468 15.957 -1.954 1.00 0.00 C ATOM 977 CD1 ILE A 57 19.189 17.633 -1.140 1.00 0.00 C ATOM 0 H ILE A 57 20.302 16.666 -5.158 1.00 0.00 H new ATOM 0 HA ILE A 57 20.677 14.083 -3.819 1.00 0.00 H new ATOM 0 HB ILE A 57 19.617 14.914 -1.777 1.00 0.00 H new ATOM 0 HG12 ILE A 57 19.555 17.572 -3.241 1.00 0.00 H new ATOM 0 HG13 ILE A 57 18.176 16.623 -2.723 1.00 0.00 H new ATOM 0 HG21 ILE A 57 21.408 16.391 -0.956 1.00 0.00 H new ATOM 0 HG22 ILE A 57 22.058 15.041 -1.916 1.00 0.00 H new ATOM 0 HG23 ILE A 57 21.944 16.667 -2.630 1.00 0.00 H new ATOM 0 HD11 ILE A 57 18.553 18.515 -1.218 1.00 0.00 H new ATOM 0 HD12 ILE A 57 18.804 16.975 -0.361 1.00 0.00 H new ATOM 0 HD13 ILE A 57 20.204 17.939 -0.887 1.00 0.00 H new ATOM 989 N GLY A 58 18.326 13.485 -4.379 1.00 0.00 N ATOM 990 CA GLY A 58 16.995 13.119 -4.826 1.00 0.00 C ATOM 991 C GLY A 58 16.597 13.828 -6.105 1.00 0.00 C ATOM 992 O GLY A 58 15.529 14.436 -6.180 1.00 0.00 O ATOM 0 H GLY A 58 18.913 12.701 -4.096 1.00 0.00 H new ATOM 0 HA2 GLY A 58 16.952 12.041 -4.983 1.00 0.00 H new ATOM 0 HA3 GLY A 58 16.274 13.356 -4.043 1.00 0.00 H new ATOM 996 N ASP A 59 17.459 13.753 -7.113 1.00 0.00 N ATOM 997 CA ASP A 59 17.192 14.394 -8.396 1.00 0.00 C ATOM 998 C ASP A 59 16.916 15.883 -8.213 1.00 0.00 C ATOM 999 O ASP A 59 16.112 16.469 -8.938 1.00 0.00 O ATOM 1000 CB ASP A 59 16.005 13.723 -9.088 1.00 0.00 C ATOM 1001 CG ASP A 59 16.041 12.213 -8.967 1.00 0.00 C ATOM 1002 OD1 ASP A 59 17.084 11.616 -9.305 1.00 0.00 O ATOM 1003 OD2 ASP A 59 15.026 11.627 -8.534 1.00 0.00 O ATOM 0 H ASP A 59 18.348 13.255 -7.067 1.00 0.00 H new ATOM 0 HA ASP A 59 18.078 14.282 -9.022 1.00 0.00 H new ATOM 0 HB2 ASP A 59 15.077 14.097 -8.655 1.00 0.00 H new ATOM 0 HB3 ASP A 59 15.999 14.000 -10.142 1.00 0.00 H new ATOM 1008 N TYR A 60 17.587 16.488 -7.239 1.00 0.00 N ATOM 1009 CA TYR A 60 17.412 17.908 -6.958 1.00 0.00 C ATOM 1010 C TYR A 60 18.737 18.554 -6.565 1.00 0.00 C ATOM 1011 O TYR A 60 19.260 18.311 -5.476 1.00 0.00 O ATOM 1012 CB TYR A 60 16.384 18.105 -5.842 1.00 0.00 C ATOM 1013 CG TYR A 60 16.424 19.482 -5.219 1.00 0.00 C ATOM 1014 CD1 TYR A 60 15.717 20.540 -5.776 1.00 0.00 C ATOM 1015 CD2 TYR A 60 17.169 19.724 -4.071 1.00 0.00 C ATOM 1016 CE1 TYR A 60 15.752 21.800 -5.210 1.00 0.00 C ATOM 1017 CE2 TYR A 60 17.208 20.980 -3.497 1.00 0.00 C ATOM 1018 CZ TYR A 60 16.499 22.015 -4.070 1.00 0.00 C ATOM 1019 OH TYR A 60 16.535 23.268 -3.503 1.00 0.00 O ATOM 0 H TYR A 60 18.257 16.017 -6.631 1.00 0.00 H new ATOM 0 HA TYR A 60 17.050 18.390 -7.866 1.00 0.00 H new ATOM 0 HB2 TYR A 60 15.386 17.925 -6.243 1.00 0.00 H new ATOM 0 HB3 TYR A 60 16.555 17.359 -5.066 1.00 0.00 H new ATOM 0 HD1 TYR A 60 15.130 20.375 -6.667 1.00 0.00 H new ATOM 0 HD2 TYR A 60 17.727 18.917 -3.620 1.00 0.00 H new ATOM 0 HE1 TYR A 60 15.198 22.612 -5.657 1.00 0.00 H new ATOM 0 HE2 TYR A 60 17.791 21.151 -2.604 1.00 0.00 H new ATOM 0 HH TYR A 60 17.105 23.250 -2.706 1.00 0.00 H new ATOM 1029 N HIS A 61 19.275 19.378 -7.458 1.00 0.00 N ATOM 1030 CA HIS A 61 20.539 20.060 -7.205 1.00 0.00 C ATOM 1031 C HIS A 61 20.414 21.014 -6.021 1.00 0.00 C ATOM 1032 O HIS A 61 19.416 21.721 -5.883 1.00 0.00 O ATOM 1033 CB HIS A 61 20.985 20.829 -8.449 1.00 0.00 C ATOM 1034 CG HIS A 61 19.921 21.715 -9.020 1.00 0.00 C ATOM 1035 ND1 HIS A 61 18.967 21.269 -9.910 1.00 0.00 N ATOM 1036 CD2 HIS A 61 19.662 23.029 -8.821 1.00 0.00 C ATOM 1037 CE1 HIS A 61 18.169 22.270 -10.235 1.00 0.00 C ATOM 1038 NE2 HIS A 61 18.569 23.349 -9.588 1.00 0.00 N ATOM 0 H HIS A 61 18.855 19.590 -8.363 1.00 0.00 H new ATOM 0 HA HIS A 61 21.289 19.306 -6.964 1.00 0.00 H new ATOM 0 HB2 HIS A 61 21.855 21.436 -8.198 1.00 0.00 H new ATOM 0 HB3 HIS A 61 21.301 20.117 -9.212 1.00 0.00 H new ATOM 0 HD2 HIS A 61 20.213 23.700 -8.179 1.00 0.00 H new ATOM 0 HE1 HIS A 61 17.331 22.215 -10.915 1.00 0.00 H new ATOM 0 HE2 HIS A 61 18.136 24.271 -9.648 1.00 0.00 H new ATOM 1046 N VAL A 62 21.433 21.027 -5.168 1.00 0.00 N ATOM 1047 CA VAL A 62 21.437 21.894 -3.995 1.00 0.00 C ATOM 1048 C VAL A 62 22.386 23.071 -4.186 1.00 0.00 C ATOM 1049 O VAL A 62 21.954 24.215 -4.323 1.00 0.00 O ATOM 1050 CB VAL A 62 21.844 21.120 -2.727 1.00 0.00 C ATOM 1051 CG1 VAL A 62 21.874 22.048 -1.522 1.00 0.00 C ATOM 1052 CG2 VAL A 62 20.898 19.953 -2.489 1.00 0.00 C ATOM 0 H VAL A 62 22.266 20.447 -5.267 1.00 0.00 H new ATOM 0 HA VAL A 62 20.420 22.267 -3.873 1.00 0.00 H new ATOM 0 HB VAL A 62 22.848 20.720 -2.872 1.00 0.00 H new ATOM 0 HG11 VAL A 62 22.163 21.484 -0.635 1.00 0.00 H new ATOM 0 HG12 VAL A 62 22.595 22.846 -1.696 1.00 0.00 H new ATOM 0 HG13 VAL A 62 20.885 22.480 -1.370 1.00 0.00 H new ATOM 0 HG21 VAL A 62 21.200 19.417 -1.589 1.00 0.00 H new ATOM 0 HG22 VAL A 62 19.882 20.328 -2.364 1.00 0.00 H new ATOM 0 HG23 VAL A 62 20.933 19.277 -3.343 1.00 0.00 H new ATOM 1062 N GLY A 63 23.684 22.783 -4.194 1.00 0.00 N ATOM 1063 CA GLY A 63 24.675 23.828 -4.368 1.00 0.00 C ATOM 1064 C GLY A 63 26.037 23.432 -3.832 1.00 0.00 C ATOM 1065 O GLY A 63 26.597 22.413 -4.232 1.00 0.00 O ATOM 0 H GLY A 63 24.067 21.844 -4.083 1.00 0.00 H new ATOM 0 HA2 GLY A 63 24.761 24.070 -5.427 1.00 0.00 H new ATOM 0 HA3 GLY A 63 24.338 24.732 -3.861 1.00 0.00 H new ATOM 1069 N GLY A 64 26.572 24.242 -2.923 1.00 0.00 N ATOM 1070 CA GLY A 64 27.873 23.954 -2.347 1.00 0.00 C ATOM 1071 C GLY A 64 27.795 22.959 -1.207 1.00 0.00 C ATOM 1072 O GLY A 64 26.704 22.580 -0.778 1.00 0.00 O ATOM 0 H GLY A 64 26.128 25.092 -2.575 1.00 0.00 H new ATOM 0 HA2 GLY A 64 28.531 23.562 -3.122 1.00 0.00 H new ATOM 0 HA3 GLY A 64 28.320 24.880 -1.987 1.00 0.00 H new ATOM 1076 N CYS A 65 28.953 22.533 -0.715 1.00 0.00 N ATOM 1077 CA CYS A 65 29.011 21.573 0.381 1.00 0.00 C ATOM 1078 C CYS A 65 28.294 22.112 1.615 1.00 0.00 C ATOM 1079 O CYS A 65 27.313 21.530 2.079 1.00 0.00 O ATOM 1080 CB CYS A 65 30.465 21.247 0.724 1.00 0.00 C ATOM 1081 SG CYS A 65 31.448 20.684 -0.686 1.00 0.00 S ATOM 0 H CYS A 65 29.864 22.837 -1.058 1.00 0.00 H new ATOM 0 HA CYS A 65 28.507 20.661 0.060 1.00 0.00 H new ATOM 0 HB2 CYS A 65 30.934 22.134 1.149 1.00 0.00 H new ATOM 0 HB3 CYS A 65 30.481 20.477 1.495 1.00 0.00 H new ATOM 0 HG CYS A 65 32.663 20.435 -0.296 1.00 0.00 H new ATOM 1087 N ASP A 66 28.791 23.226 2.142 1.00 0.00 N ATOM 1088 CA ASP A 66 28.198 23.843 3.322 1.00 0.00 C ATOM 1089 C ASP A 66 26.710 24.103 3.110 1.00 0.00 C ATOM 1090 O ASP A 66 25.936 24.152 4.067 1.00 0.00 O ATOM 1091 CB ASP A 66 28.915 25.153 3.653 1.00 0.00 C ATOM 1092 CG ASP A 66 28.851 26.152 2.514 1.00 0.00 C ATOM 1093 OD1 ASP A 66 29.636 26.008 1.554 1.00 0.00 O ATOM 1094 OD2 ASP A 66 28.016 27.078 2.583 1.00 0.00 O ATOM 0 H ASP A 66 29.603 23.720 1.771 1.00 0.00 H new ATOM 0 HA ASP A 66 28.312 23.153 4.158 1.00 0.00 H new ATOM 0 HB2 ASP A 66 28.468 25.593 4.544 1.00 0.00 H new ATOM 0 HB3 ASP A 66 29.958 24.943 3.890 1.00 0.00 H new ATOM 1099 N ASP A 67 26.317 24.269 1.852 1.00 0.00 N ATOM 1100 CA ASP A 67 24.921 24.523 1.515 1.00 0.00 C ATOM 1101 C ASP A 67 24.011 23.467 2.134 1.00 0.00 C ATOM 1102 O ASP A 67 23.071 23.792 2.861 1.00 0.00 O ATOM 1103 CB ASP A 67 24.737 24.546 -0.004 1.00 0.00 C ATOM 1104 CG ASP A 67 23.563 25.404 -0.432 1.00 0.00 C ATOM 1105 OD1 ASP A 67 22.715 25.721 0.428 1.00 0.00 O ATOM 1106 OD2 ASP A 67 23.491 25.757 -1.628 1.00 0.00 O ATOM 0 H ASP A 67 26.945 24.232 1.049 1.00 0.00 H new ATOM 0 HA ASP A 67 24.646 25.496 1.922 1.00 0.00 H new ATOM 0 HB2 ASP A 67 25.647 24.921 -0.472 1.00 0.00 H new ATOM 0 HB3 ASP A 67 24.590 23.528 -0.365 1.00 0.00 H new ATOM 1111 N LEU A 68 24.295 22.203 1.841 1.00 0.00 N ATOM 1112 CA LEU A 68 23.502 21.098 2.368 1.00 0.00 C ATOM 1113 C LEU A 68 23.455 21.141 3.892 1.00 0.00 C ATOM 1114 O LEU A 68 22.434 20.819 4.501 1.00 0.00 O ATOM 1115 CB LEU A 68 24.079 19.761 1.901 1.00 0.00 C ATOM 1116 CG LEU A 68 25.290 19.245 2.679 1.00 0.00 C ATOM 1117 CD1 LEU A 68 24.843 18.392 3.857 1.00 0.00 C ATOM 1118 CD2 LEU A 68 26.213 18.452 1.765 1.00 0.00 C ATOM 0 H LEU A 68 25.069 21.918 1.241 1.00 0.00 H new ATOM 0 HA LEU A 68 22.485 21.199 1.988 1.00 0.00 H new ATOM 0 HB2 LEU A 68 23.291 19.010 1.954 1.00 0.00 H new ATOM 0 HB3 LEU A 68 24.359 19.856 0.852 1.00 0.00 H new ATOM 0 HG LEU A 68 25.842 20.102 3.065 1.00 0.00 H new ATOM 0 HD11 LEU A 68 25.718 18.033 4.399 1.00 0.00 H new ATOM 0 HD12 LEU A 68 24.222 18.990 4.524 1.00 0.00 H new ATOM 0 HD13 LEU A 68 24.268 17.541 3.492 1.00 0.00 H new ATOM 0 HD21 LEU A 68 27.069 18.093 2.336 1.00 0.00 H new ATOM 0 HD22 LEU A 68 25.671 17.602 1.349 1.00 0.00 H new ATOM 0 HD23 LEU A 68 26.560 19.092 0.954 1.00 0.00 H new ATOM 1130 N TYR A 69 24.565 21.541 4.502 1.00 0.00 N ATOM 1131 CA TYR A 69 24.650 21.625 5.955 1.00 0.00 C ATOM 1132 C TYR A 69 23.731 22.717 6.493 1.00 0.00 C ATOM 1133 O TYR A 69 22.907 22.472 7.374 1.00 0.00 O ATOM 1134 CB TYR A 69 26.092 21.898 6.387 1.00 0.00 C ATOM 1135 CG TYR A 69 26.689 20.798 7.236 1.00 0.00 C ATOM 1136 CD1 TYR A 69 27.165 19.628 6.658 1.00 0.00 C ATOM 1137 CD2 TYR A 69 26.777 20.930 8.617 1.00 0.00 C ATOM 1138 CE1 TYR A 69 27.710 18.621 7.431 1.00 0.00 C ATOM 1139 CE2 TYR A 69 27.322 19.928 9.397 1.00 0.00 C ATOM 1140 CZ TYR A 69 27.786 18.775 8.799 1.00 0.00 C ATOM 1141 OH TYR A 69 28.330 17.775 9.571 1.00 0.00 O ATOM 0 H TYR A 69 25.418 21.812 4.013 1.00 0.00 H new ATOM 0 HA TYR A 69 24.328 20.669 6.368 1.00 0.00 H new ATOM 0 HB2 TYR A 69 26.709 22.035 5.499 1.00 0.00 H new ATOM 0 HB3 TYR A 69 26.124 22.834 6.945 1.00 0.00 H new ATOM 0 HD1 TYR A 69 27.108 19.504 5.587 1.00 0.00 H new ATOM 0 HD2 TYR A 69 26.413 21.831 9.088 1.00 0.00 H new ATOM 0 HE1 TYR A 69 28.075 17.717 6.966 1.00 0.00 H new ATOM 0 HE2 TYR A 69 27.384 20.047 10.469 1.00 0.00 H new ATOM 0 HH TYR A 69 28.310 18.042 10.514 1.00 0.00 H new ATOM 1151 N ALA A 70 23.878 23.923 5.955 1.00 0.00 N ATOM 1152 CA ALA A 70 23.060 25.053 6.378 1.00 0.00 C ATOM 1153 C ALA A 70 21.575 24.724 6.276 1.00 0.00 C ATOM 1154 O ALA A 70 20.825 24.884 7.240 1.00 0.00 O ATOM 1155 CB ALA A 70 23.389 26.284 5.545 1.00 0.00 C ATOM 0 H ALA A 70 24.556 24.143 5.225 1.00 0.00 H new ATOM 0 HA ALA A 70 23.288 25.264 7.423 1.00 0.00 H new ATOM 0 HB1 ALA A 70 22.771 27.120 5.872 1.00 0.00 H new ATOM 0 HB2 ALA A 70 24.441 26.539 5.672 1.00 0.00 H new ATOM 0 HB3 ALA A 70 23.191 26.075 4.494 1.00 0.00 H new ATOM 1161 N LEU A 71 21.155 24.266 5.102 1.00 0.00 N ATOM 1162 CA LEU A 71 19.757 23.915 4.873 1.00 0.00 C ATOM 1163 C LEU A 71 19.288 22.867 5.877 1.00 0.00 C ATOM 1164 O LEU A 71 18.229 23.010 6.488 1.00 0.00 O ATOM 1165 CB LEU A 71 19.569 23.392 3.448 1.00 0.00 C ATOM 1166 CG LEU A 71 19.947 24.358 2.324 1.00 0.00 C ATOM 1167 CD1 LEU A 71 20.144 23.605 1.017 1.00 0.00 C ATOM 1168 CD2 LEU A 71 18.883 25.434 2.165 1.00 0.00 C ATOM 0 H LEU A 71 21.762 24.129 4.294 1.00 0.00 H new ATOM 0 HA LEU A 71 19.155 24.814 5.006 1.00 0.00 H new ATOM 0 HB2 LEU A 71 20.161 22.484 3.334 1.00 0.00 H new ATOM 0 HB3 LEU A 71 18.524 23.109 3.321 1.00 0.00 H new ATOM 0 HG LEU A 71 20.888 24.841 2.588 1.00 0.00 H new ATOM 0 HD11 LEU A 71 20.412 24.308 0.229 1.00 0.00 H new ATOM 0 HD12 LEU A 71 20.942 22.872 1.136 1.00 0.00 H new ATOM 0 HD13 LEU A 71 19.219 23.095 0.748 1.00 0.00 H new ATOM 0 HD21 LEU A 71 19.169 26.112 1.361 1.00 0.00 H new ATOM 0 HD22 LEU A 71 17.927 24.968 1.924 1.00 0.00 H new ATOM 0 HD23 LEU A 71 18.790 25.994 3.096 1.00 0.00 H new ATOM 1180 N GLU A 72 20.084 21.815 6.043 1.00 0.00 N ATOM 1181 CA GLU A 72 19.750 20.744 6.975 1.00 0.00 C ATOM 1182 C GLU A 72 19.546 21.293 8.384 1.00 0.00 C ATOM 1183 O GLU A 72 18.718 20.792 9.143 1.00 0.00 O ATOM 1184 CB GLU A 72 20.852 19.683 6.983 1.00 0.00 C ATOM 1185 CG GLU A 72 20.664 18.619 8.051 1.00 0.00 C ATOM 1186 CD GLU A 72 21.835 17.659 8.131 1.00 0.00 C ATOM 1187 OE1 GLU A 72 22.913 18.077 8.603 1.00 0.00 O ATOM 1188 OE2 GLU A 72 21.674 16.490 7.721 1.00 0.00 O ATOM 0 H GLU A 72 20.964 21.682 5.545 1.00 0.00 H new ATOM 0 HA GLU A 72 18.818 20.286 6.644 1.00 0.00 H new ATOM 0 HB2 GLU A 72 20.889 19.202 6.005 1.00 0.00 H new ATOM 0 HB3 GLU A 72 21.814 20.172 7.134 1.00 0.00 H new ATOM 0 HG2 GLU A 72 20.528 19.101 9.019 1.00 0.00 H new ATOM 0 HG3 GLU A 72 19.753 18.058 7.843 1.00 0.00 H new ATOM 1195 N ASN A 73 20.310 22.325 8.727 1.00 0.00 N ATOM 1196 CA ASN A 73 20.215 22.942 10.045 1.00 0.00 C ATOM 1197 C ASN A 73 19.075 23.955 10.091 1.00 0.00 C ATOM 1198 O ASN A 73 18.556 24.274 11.161 1.00 0.00 O ATOM 1199 CB ASN A 73 21.535 23.627 10.407 1.00 0.00 C ATOM 1200 CG ASN A 73 21.788 23.641 11.902 1.00 0.00 C ATOM 1201 OD1 ASN A 73 20.955 23.189 12.688 1.00 0.00 O ATOM 1202 ND2 ASN A 73 22.942 24.162 12.302 1.00 0.00 N ATOM 0 H ASN A 73 21.002 22.752 8.111 1.00 0.00 H new ATOM 0 HA ASN A 73 20.009 22.156 10.772 1.00 0.00 H new ATOM 0 HB2 ASN A 73 22.357 23.114 9.907 1.00 0.00 H new ATOM 0 HB3 ASN A 73 21.524 24.651 10.033 1.00 0.00 H new ATOM 0 HD21 ASN A 73 23.168 24.199 13.296 1.00 0.00 H new ATOM 0 HD22 ASN A 73 23.603 24.525 11.615 1.00 0.00 H new ATOM 1209 N LYS A 74 18.689 24.456 8.923 1.00 0.00 N ATOM 1210 CA LYS A 74 17.609 25.431 8.827 1.00 0.00 C ATOM 1211 C LYS A 74 16.249 24.746 8.903 1.00 0.00 C ATOM 1212 O LYS A 74 15.246 25.371 9.246 1.00 0.00 O ATOM 1213 CB LYS A 74 17.721 26.221 7.521 1.00 0.00 C ATOM 1214 CG LYS A 74 18.813 27.278 7.542 1.00 0.00 C ATOM 1215 CD LYS A 74 18.518 28.364 8.562 1.00 0.00 C ATOM 1216 CE LYS A 74 17.211 29.078 8.255 1.00 0.00 C ATOM 1217 NZ LYS A 74 17.179 29.602 6.861 1.00 0.00 N ATOM 0 H LYS A 74 19.108 24.203 8.028 1.00 0.00 H new ATOM 0 HA LYS A 74 17.698 26.118 9.669 1.00 0.00 H new ATOM 0 HB2 LYS A 74 17.913 25.528 6.702 1.00 0.00 H new ATOM 0 HB3 LYS A 74 16.765 26.702 7.314 1.00 0.00 H new ATOM 0 HG2 LYS A 74 19.769 26.810 7.774 1.00 0.00 H new ATOM 0 HG3 LYS A 74 18.908 27.724 6.552 1.00 0.00 H new ATOM 0 HD2 LYS A 74 18.468 27.925 9.558 1.00 0.00 H new ATOM 0 HD3 LYS A 74 19.334 29.086 8.572 1.00 0.00 H new ATOM 0 HE2 LYS A 74 16.378 28.391 8.404 1.00 0.00 H new ATOM 0 HE3 LYS A 74 17.074 29.902 8.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 16.383 30.263 6.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 18.070 30.098 6.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 17.062 28.811 6.196 1.00 0.00 H new ATOM 1231 N GLY A 75 16.222 23.456 8.582 1.00 0.00 N ATOM 1232 CA GLY A 75 14.980 22.707 8.622 1.00 0.00 C ATOM 1233 C GLY A 75 14.774 21.859 7.382 1.00 0.00 C ATOM 1234 O GLY A 75 13.775 21.148 7.266 1.00 0.00 O ATOM 0 H GLY A 75 17.039 22.916 8.295 1.00 0.00 H new ATOM 0 HA2 GLY A 75 14.975 22.065 9.503 1.00 0.00 H new ATOM 0 HA3 GLY A 75 14.145 23.400 8.728 1.00 0.00 H new ATOM 1238 N LYS A 76 15.719 21.935 6.451 1.00 0.00 N ATOM 1239 CA LYS A 76 15.637 21.170 5.213 1.00 0.00 C ATOM 1240 C LYS A 76 16.193 19.763 5.405 1.00 0.00 C ATOM 1241 O LYS A 76 16.297 18.990 4.452 1.00 0.00 O ATOM 1242 CB LYS A 76 16.403 21.884 4.097 1.00 0.00 C ATOM 1243 CG LYS A 76 15.508 22.434 3.000 1.00 0.00 C ATOM 1244 CD LYS A 76 14.573 23.508 3.529 1.00 0.00 C ATOM 1245 CE LYS A 76 14.330 24.595 2.492 1.00 0.00 C ATOM 1246 NZ LYS A 76 13.796 25.840 3.109 1.00 0.00 N ATOM 0 H LYS A 76 16.551 22.519 6.531 1.00 0.00 H new ATOM 0 HA LYS A 76 14.587 21.092 4.933 1.00 0.00 H new ATOM 0 HB2 LYS A 76 16.979 22.703 4.529 1.00 0.00 H new ATOM 0 HB3 LYS A 76 17.118 21.189 3.657 1.00 0.00 H new ATOM 0 HG2 LYS A 76 16.123 22.847 2.201 1.00 0.00 H new ATOM 0 HG3 LYS A 76 14.923 21.623 2.566 1.00 0.00 H new ATOM 0 HD2 LYS A 76 13.623 23.057 3.814 1.00 0.00 H new ATOM 0 HD3 LYS A 76 14.998 23.951 4.429 1.00 0.00 H new ATOM 0 HE2 LYS A 76 15.263 24.818 1.974 1.00 0.00 H new ATOM 0 HE3 LYS A 76 13.628 24.231 1.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 13.644 26.556 2.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 12.893 25.633 3.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 14.477 26.202 3.806 1.00 0.00 H new ATOM 1260 N LEU A 77 16.547 19.436 6.643 1.00 0.00 N ATOM 1261 CA LEU A 77 17.091 18.120 6.960 1.00 0.00 C ATOM 1262 C LEU A 77 16.185 17.014 6.429 1.00 0.00 C ATOM 1263 O LEU A 77 16.649 16.076 5.780 1.00 0.00 O ATOM 1264 CB LEU A 77 17.265 17.970 8.473 1.00 0.00 C ATOM 1265 CG LEU A 77 17.613 16.567 8.972 1.00 0.00 C ATOM 1266 CD1 LEU A 77 18.486 16.644 10.215 1.00 0.00 C ATOM 1267 CD2 LEU A 77 16.346 15.773 9.257 1.00 0.00 C ATOM 0 H LEU A 77 16.467 20.063 7.443 1.00 0.00 H new ATOM 0 HA LEU A 77 18.064 18.030 6.477 1.00 0.00 H new ATOM 0 HB2 LEU A 77 18.048 18.654 8.798 1.00 0.00 H new ATOM 0 HB3 LEU A 77 16.342 18.288 8.958 1.00 0.00 H new ATOM 0 HG LEU A 77 18.173 16.053 8.191 1.00 0.00 H new ATOM 0 HD11 LEU A 77 18.724 15.636 10.556 1.00 0.00 H new ATOM 0 HD12 LEU A 77 19.409 17.174 9.979 1.00 0.00 H new ATOM 0 HD13 LEU A 77 17.952 17.177 11.002 1.00 0.00 H new ATOM 0 HD21 LEU A 77 16.613 14.777 9.611 1.00 0.00 H new ATOM 0 HD22 LEU A 77 15.760 16.285 10.020 1.00 0.00 H new ATOM 0 HD23 LEU A 77 15.757 15.688 8.344 1.00 0.00 H new ATOM 1279 N ASP A 78 14.891 17.131 6.708 1.00 0.00 N ATOM 1280 CA ASP A 78 13.919 16.142 6.255 1.00 0.00 C ATOM 1281 C ASP A 78 14.069 15.878 4.760 1.00 0.00 C ATOM 1282 O ASP A 78 13.999 14.734 4.312 1.00 0.00 O ATOM 1283 CB ASP A 78 12.498 16.616 6.562 1.00 0.00 C ATOM 1284 CG ASP A 78 11.474 15.508 6.414 1.00 0.00 C ATOM 1285 OD1 ASP A 78 11.318 14.990 5.288 1.00 0.00 O ATOM 1286 OD2 ASP A 78 10.828 15.158 7.424 1.00 0.00 O ATOM 0 H ASP A 78 14.491 17.900 7.245 1.00 0.00 H new ATOM 0 HA ASP A 78 14.107 15.211 6.790 1.00 0.00 H new ATOM 0 HB2 ASP A 78 12.460 17.008 7.578 1.00 0.00 H new ATOM 0 HB3 ASP A 78 12.240 17.437 5.894 1.00 0.00 H new ATOM 1291 N SER A 79 14.274 16.944 3.994 1.00 0.00 N ATOM 1292 CA SER A 79 14.429 16.828 2.548 1.00 0.00 C ATOM 1293 C SER A 79 15.735 16.123 2.196 1.00 0.00 C ATOM 1294 O SER A 79 15.756 15.197 1.385 1.00 0.00 O ATOM 1295 CB SER A 79 14.391 18.212 1.897 1.00 0.00 C ATOM 1296 OG SER A 79 14.588 18.123 0.497 1.00 0.00 O ATOM 0 H SER A 79 14.337 17.898 4.350 1.00 0.00 H new ATOM 0 HA SER A 79 13.601 16.232 2.165 1.00 0.00 H new ATOM 0 HB2 SER A 79 13.432 18.688 2.103 1.00 0.00 H new ATOM 0 HB3 SER A 79 15.162 18.845 2.336 1.00 0.00 H new ATOM 0 HG SER A 79 14.558 19.021 0.105 1.00 0.00 H new ATOM 1302 N LEU A 80 16.825 16.569 2.812 1.00 0.00 N ATOM 1303 CA LEU A 80 18.137 15.982 2.565 1.00 0.00 C ATOM 1304 C LEU A 80 18.140 14.494 2.901 1.00 0.00 C ATOM 1305 O LEU A 80 18.526 13.662 2.079 1.00 0.00 O ATOM 1306 CB LEU A 80 19.204 16.705 3.390 1.00 0.00 C ATOM 1307 CG LEU A 80 19.857 17.918 2.726 1.00 0.00 C ATOM 1308 CD1 LEU A 80 20.783 17.479 1.603 1.00 0.00 C ATOM 1309 CD2 LEU A 80 18.796 18.875 2.202 1.00 0.00 C ATOM 0 H LEU A 80 16.826 17.335 3.486 1.00 0.00 H new ATOM 0 HA LEU A 80 18.366 16.097 1.505 1.00 0.00 H new ATOM 0 HB2 LEU A 80 18.752 17.028 4.328 1.00 0.00 H new ATOM 0 HB3 LEU A 80 19.986 15.989 3.643 1.00 0.00 H new ATOM 0 HG LEU A 80 20.452 18.441 3.475 1.00 0.00 H new ATOM 0 HD11 LEU A 80 21.238 18.356 1.143 1.00 0.00 H new ATOM 0 HD12 LEU A 80 21.564 16.834 2.006 1.00 0.00 H new ATOM 0 HD13 LEU A 80 20.212 16.931 0.853 1.00 0.00 H new ATOM 0 HD21 LEU A 80 19.279 19.732 1.733 1.00 0.00 H new ATOM 0 HD22 LEU A 80 18.174 18.362 1.468 1.00 0.00 H new ATOM 0 HD23 LEU A 80 18.174 19.217 3.029 1.00 0.00 H new ATOM 1321 N LEU A 81 17.707 14.166 4.113 1.00 0.00 N ATOM 1322 CA LEU A 81 17.657 12.777 4.557 1.00 0.00 C ATOM 1323 C LEU A 81 16.726 11.955 3.672 1.00 0.00 C ATOM 1324 O LEU A 81 17.018 10.804 3.349 1.00 0.00 O ATOM 1325 CB LEU A 81 17.193 12.703 6.013 1.00 0.00 C ATOM 1326 CG LEU A 81 18.012 13.511 7.021 1.00 0.00 C ATOM 1327 CD1 LEU A 81 17.873 12.922 8.416 1.00 0.00 C ATOM 1328 CD2 LEU A 81 19.474 13.559 6.603 1.00 0.00 C ATOM 0 H LEU A 81 17.386 14.842 4.806 1.00 0.00 H new ATOM 0 HA LEU A 81 18.661 12.361 4.480 1.00 0.00 H new ATOM 0 HB2 LEU A 81 16.158 13.042 6.061 1.00 0.00 H new ATOM 0 HB3 LEU A 81 17.201 11.658 6.323 1.00 0.00 H new ATOM 0 HG LEU A 81 17.627 14.530 7.040 1.00 0.00 H new ATOM 0 HD11 LEU A 81 18.462 13.510 9.120 1.00 0.00 H new ATOM 0 HD12 LEU A 81 16.825 12.941 8.716 1.00 0.00 H new ATOM 0 HD13 LEU A 81 18.231 11.893 8.414 1.00 0.00 H new ATOM 0 HD21 LEU A 81 20.042 14.138 7.331 1.00 0.00 H new ATOM 0 HD22 LEU A 81 19.872 12.545 6.555 1.00 0.00 H new ATOM 0 HD23 LEU A 81 19.557 14.028 5.623 1.00 0.00 H new ATOM 1340 N GLN A 82 15.605 12.555 3.283 1.00 0.00 N ATOM 1341 CA GLN A 82 14.632 11.878 2.434 1.00 0.00 C ATOM 1342 C GLN A 82 15.159 11.733 1.010 1.00 0.00 C ATOM 1343 O GLN A 82 14.716 10.864 0.259 1.00 0.00 O ATOM 1344 CB GLN A 82 13.310 12.647 2.425 1.00 0.00 C ATOM 1345 CG GLN A 82 12.313 12.131 1.400 1.00 0.00 C ATOM 1346 CD GLN A 82 12.175 10.621 1.427 1.00 0.00 C ATOM 1347 OE1 GLN A 82 12.173 9.967 0.384 1.00 0.00 O ATOM 1348 NE2 GLN A 82 12.060 10.059 2.625 1.00 0.00 N ATOM 0 H GLN A 82 15.349 13.508 3.542 1.00 0.00 H new ATOM 0 HA GLN A 82 14.462 10.882 2.842 1.00 0.00 H new ATOM 0 HB2 GLN A 82 12.860 12.592 3.416 1.00 0.00 H new ATOM 0 HB3 GLN A 82 13.513 13.699 2.225 1.00 0.00 H new ATOM 0 HG2 GLN A 82 11.339 12.584 1.586 1.00 0.00 H new ATOM 0 HG3 GLN A 82 12.626 12.445 0.404 1.00 0.00 H new ATOM 0 HE21 GLN A 82 12.067 10.640 3.464 1.00 0.00 H new ATOM 0 HE22 GLN A 82 11.965 9.047 2.706 1.00 0.00 H new ATOM 1357 N ASP A 83 16.107 12.590 0.646 1.00 0.00 N ATOM 1358 CA ASP A 83 16.696 12.557 -0.688 1.00 0.00 C ATOM 1359 C ASP A 83 17.860 11.573 -0.744 1.00 0.00 C ATOM 1360 O ASP A 83 18.101 10.938 -1.770 1.00 0.00 O ATOM 1361 CB ASP A 83 17.171 13.953 -1.093 1.00 0.00 C ATOM 1362 CG ASP A 83 16.022 14.873 -1.457 1.00 0.00 C ATOM 1363 OD1 ASP A 83 15.059 14.396 -2.091 1.00 0.00 O ATOM 1364 OD2 ASP A 83 16.087 16.070 -1.107 1.00 0.00 O ATOM 0 H ASP A 83 16.484 13.316 1.256 1.00 0.00 H new ATOM 0 HA ASP A 83 15.930 12.225 -1.389 1.00 0.00 H new ATOM 0 HB2 ASP A 83 17.739 14.393 -0.273 1.00 0.00 H new ATOM 0 HB3 ASP A 83 17.850 13.871 -1.942 1.00 0.00 H new ATOM 1369 N VAL A 84 18.581 11.454 0.366 1.00 0.00 N ATOM 1370 CA VAL A 84 19.721 10.547 0.444 1.00 0.00 C ATOM 1371 C VAL A 84 19.283 9.147 0.859 1.00 0.00 C ATOM 1372 O VAL A 84 19.954 8.160 0.558 1.00 0.00 O ATOM 1373 CB VAL A 84 20.778 11.059 1.441 1.00 0.00 C ATOM 1374 CG1 VAL A 84 21.285 12.431 1.025 1.00 0.00 C ATOM 1375 CG2 VAL A 84 20.205 11.098 2.850 1.00 0.00 C ATOM 0 H VAL A 84 18.396 11.974 1.224 1.00 0.00 H new ATOM 0 HA VAL A 84 20.161 10.506 -0.552 1.00 0.00 H new ATOM 0 HB VAL A 84 21.622 10.370 1.435 1.00 0.00 H new ATOM 0 HG11 VAL A 84 22.031 12.776 1.741 1.00 0.00 H new ATOM 0 HG12 VAL A 84 21.735 12.367 0.034 1.00 0.00 H new ATOM 0 HG13 VAL A 84 20.453 13.134 1.001 1.00 0.00 H new ATOM 0 HG21 VAL A 84 20.965 11.462 3.542 1.00 0.00 H new ATOM 0 HG22 VAL A 84 19.343 11.765 2.874 1.00 0.00 H new ATOM 0 HG23 VAL A 84 19.896 10.095 3.145 1.00 0.00 H new ATOM 1385 N HIS A 85 18.151 9.068 1.551 1.00 0.00 N ATOM 1386 CA HIS A 85 17.621 7.788 2.006 1.00 0.00 C ATOM 1387 C HIS A 85 16.530 7.285 1.065 1.00 0.00 C ATOM 1388 O HIS A 85 15.354 7.610 1.232 1.00 0.00 O ATOM 1389 CB HIS A 85 17.066 7.917 3.425 1.00 0.00 C ATOM 1390 CG HIS A 85 16.612 6.616 4.012 1.00 0.00 C ATOM 1391 ND1 HIS A 85 15.287 6.322 4.255 1.00 0.00 N ATOM 1392 CD2 HIS A 85 17.316 5.528 4.402 1.00 0.00 C ATOM 1393 CE1 HIS A 85 15.195 5.109 4.772 1.00 0.00 C ATOM 1394 NE2 HIS A 85 16.412 4.605 4.871 1.00 0.00 N ATOM 0 H HIS A 85 17.583 9.875 1.809 1.00 0.00 H new ATOM 0 HA HIS A 85 18.437 7.065 2.007 1.00 0.00 H new ATOM 0 HB2 HIS A 85 17.833 8.348 4.068 1.00 0.00 H new ATOM 0 HB3 HIS A 85 16.228 8.614 3.416 1.00 0.00 H new ATOM 0 HD2 HIS A 85 18.388 5.407 4.354 1.00 0.00 H new ATOM 0 HE1 HIS A 85 14.280 4.614 5.064 1.00 0.00 H new ATOM 0 HE2 HIS A 85 16.643 3.681 5.236 1.00 0.00 H new