USER MOD reduce.3.24.130724 H: found=0, std=0, add=474, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 473 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 ASP N :NH3+ 147:sc= 0.0335 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= -0.14 X(o=-0.14,f=-0.49) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -0.24 X(o=-0.24,f=-0.002) USER MOD Single : A 21 GLN :FLIP amide:sc= 0 F(o=-1.1!,f=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 MET CE :methyl 149:sc= -0.159 (180deg=-1.06) USER MOD Single : A 30 ASN : amide:sc= -9.71! C(o=-9.7!,f=-18!) USER MOD Single : A 31 SER OG : rot 180:sc= -0.073 USER MOD Single : A 33 HIS : no HD1:sc= -3.7! C(o=-3.7!,f=-9.8!) USER MOD Single : A 34 SER OG : rot 180:sc= 0.0742 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot -15:sc= 0.727 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -0.353 X(o=-0.35,f=0.04) USER MOD Single : A 55 THR OG1 : rot 167:sc= -1.22! USER MOD Single : A 59 TYR OH : rot 30:sc= -1.04 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= -0.0743 X(o=-0.074,f=-0.33) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 14.421 2.678 -13.885 1.00 0.00 N ATOM 2 CA ASP A 1 15.777 2.163 -13.565 1.00 0.00 C ATOM 3 C ASP A 1 15.930 1.989 -12.056 1.00 0.00 C ATOM 4 O ASP A 1 15.077 2.400 -11.293 1.00 0.00 O ATOM 5 CB ASP A 1 16.833 3.159 -14.051 1.00 0.00 C ATOM 6 CG ASP A 1 17.706 2.493 -15.116 1.00 0.00 C ATOM 7 OD1 ASP A 1 17.173 2.271 -16.191 1.00 0.00 O ATOM 8 OD2 ASP A 1 18.857 2.243 -14.795 1.00 0.00 O ATOM 0 H1 ASP A 1 14.472 3.295 -14.721 1.00 0.00 H new ATOM 0 H2 ASP A 1 13.784 1.880 -14.082 1.00 0.00 H new ATOM 0 H3 ASP A 1 14.056 3.221 -13.076 1.00 0.00 H new ATOM 0 HA ASP A 1 15.911 1.202 -14.061 1.00 0.00 H new ATOM 0 HB2 ASP A 1 16.351 4.046 -14.462 1.00 0.00 H new ATOM 0 HB3 ASP A 1 17.449 3.490 -13.215 1.00 0.00 H new ATOM 15 N ASP A 2 17.015 1.376 -11.652 1.00 0.00 N ATOM 16 CA ASP A 2 17.236 1.169 -10.197 1.00 0.00 C ATOM 17 C ASP A 2 17.785 2.435 -9.549 1.00 0.00 C ATOM 18 O ASP A 2 18.932 2.789 -9.744 1.00 0.00 O ATOM 19 CB ASP A 2 18.260 0.038 -10.009 1.00 0.00 C ATOM 20 CG ASP A 2 17.526 -1.304 -9.960 1.00 0.00 C ATOM 21 OD1 ASP A 2 16.711 -1.444 -9.061 1.00 0.00 O ATOM 22 OD2 ASP A 2 17.822 -2.114 -10.822 1.00 0.00 O ATOM 0 H ASP A 2 17.747 1.015 -12.263 1.00 0.00 H new ATOM 0 HA ASP A 2 16.285 0.915 -9.729 1.00 0.00 H new ATOM 0 HB2 ASP A 2 18.979 0.043 -10.828 1.00 0.00 H new ATOM 0 HB3 ASP A 2 18.824 0.191 -9.089 1.00 0.00 H new ATOM 27 N GLU A 3 16.957 3.093 -8.788 1.00 0.00 N ATOM 28 CA GLU A 3 17.408 4.335 -8.117 1.00 0.00 C ATOM 29 C GLU A 3 18.437 4.027 -7.032 1.00 0.00 C ATOM 30 O GLU A 3 18.309 3.056 -6.312 1.00 0.00 O ATOM 31 CB GLU A 3 16.186 4.991 -7.462 1.00 0.00 C ATOM 32 CG GLU A 3 15.277 3.895 -6.895 1.00 0.00 C ATOM 33 CD GLU A 3 14.348 4.498 -5.838 1.00 0.00 C ATOM 34 OE1 GLU A 3 14.265 5.715 -5.819 1.00 0.00 O ATOM 35 OE2 GLU A 3 13.768 3.706 -5.112 1.00 0.00 O ATOM 0 H GLU A 3 15.991 2.823 -8.604 1.00 0.00 H new ATOM 0 HA GLU A 3 17.867 4.994 -8.854 1.00 0.00 H new ATOM 0 HB2 GLU A 3 16.502 5.667 -6.667 1.00 0.00 H new ATOM 0 HB3 GLU A 3 15.643 5.590 -8.193 1.00 0.00 H new ATOM 0 HG2 GLU A 3 14.690 3.444 -7.695 1.00 0.00 H new ATOM 0 HG3 GLU A 3 15.879 3.100 -6.455 1.00 0.00 H new ATOM 42 N SER A 4 19.444 4.855 -6.938 1.00 0.00 N ATOM 43 CA SER A 4 20.483 4.617 -5.905 1.00 0.00 C ATOM 44 C SER A 4 19.889 4.776 -4.512 1.00 0.00 C ATOM 45 O SER A 4 20.542 4.517 -3.522 1.00 0.00 O ATOM 46 CB SER A 4 21.608 5.648 -6.084 1.00 0.00 C ATOM 47 OG SER A 4 20.974 6.895 -5.846 1.00 0.00 O ATOM 0 H SER A 4 19.588 5.676 -7.526 1.00 0.00 H new ATOM 0 HA SER A 4 20.870 3.604 -6.016 1.00 0.00 H new ATOM 0 HB2 SER A 4 22.423 5.475 -5.382 1.00 0.00 H new ATOM 0 HB3 SER A 4 22.035 5.602 -7.086 1.00 0.00 H new ATOM 0 HG SER A 4 21.629 7.618 -5.939 1.00 0.00 H new ATOM 53 N SER A 5 18.656 5.199 -4.466 1.00 0.00 N ATOM 54 CA SER A 5 17.994 5.386 -3.150 1.00 0.00 C ATOM 55 C SER A 5 17.534 4.051 -2.581 1.00 0.00 C ATOM 56 O SER A 5 16.891 4.007 -1.555 1.00 0.00 O ATOM 57 CB SER A 5 16.762 6.275 -3.354 1.00 0.00 C ATOM 58 OG SER A 5 17.187 7.559 -2.927 1.00 0.00 O ATOM 0 H SER A 5 18.083 5.422 -5.280 1.00 0.00 H new ATOM 0 HA SER A 5 18.702 5.840 -2.457 1.00 0.00 H new ATOM 0 HB2 SER A 5 16.447 6.286 -4.397 1.00 0.00 H new ATOM 0 HB3 SER A 5 15.914 5.921 -2.768 1.00 0.00 H new ATOM 0 HG SER A 5 16.450 8.197 -3.027 1.00 0.00 H new ATOM 64 N LYS A 6 17.866 2.992 -3.267 1.00 0.00 N ATOM 65 CA LYS A 6 17.466 1.655 -2.796 1.00 0.00 C ATOM 66 C LYS A 6 18.624 0.957 -2.030 1.00 0.00 C ATOM 67 O LYS A 6 19.612 0.594 -2.637 1.00 0.00 O ATOM 68 CB LYS A 6 17.145 0.811 -4.034 1.00 0.00 C ATOM 69 CG LYS A 6 16.429 -0.471 -3.595 1.00 0.00 C ATOM 70 CD LYS A 6 16.594 -1.537 -4.681 1.00 0.00 C ATOM 71 CE LYS A 6 15.935 -2.837 -4.214 1.00 0.00 C ATOM 72 NZ LYS A 6 16.968 -3.835 -3.809 1.00 0.00 N ATOM 0 H LYS A 6 18.400 3.005 -4.136 1.00 0.00 H new ATOM 0 HA LYS A 6 16.613 1.752 -2.125 1.00 0.00 H new ATOM 0 HB2 LYS A 6 16.516 1.376 -4.722 1.00 0.00 H new ATOM 0 HB3 LYS A 6 18.062 0.565 -4.570 1.00 0.00 H new ATOM 0 HG2 LYS A 6 16.843 -0.828 -2.652 1.00 0.00 H new ATOM 0 HG3 LYS A 6 15.371 -0.270 -3.423 1.00 0.00 H new ATOM 0 HD2 LYS A 6 16.139 -1.198 -5.612 1.00 0.00 H new ATOM 0 HD3 LYS A 6 17.651 -1.704 -4.886 1.00 0.00 H new ATOM 0 HE2 LYS A 6 15.270 -2.633 -3.375 1.00 0.00 H new ATOM 0 HE3 LYS A 6 15.320 -3.247 -5.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 16.501 -4.710 -3.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 17.586 -4.043 -4.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 17.538 -3.448 -3.030 1.00 0.00 H new ATOM 86 N PRO A 7 18.505 0.780 -0.706 1.00 0.00 N ATOM 87 CA PRO A 7 19.572 0.127 0.059 1.00 0.00 C ATOM 88 C PRO A 7 19.664 -1.367 -0.244 1.00 0.00 C ATOM 89 O PRO A 7 18.688 -1.997 -0.602 1.00 0.00 O ATOM 90 CB PRO A 7 19.172 0.305 1.531 1.00 0.00 C ATOM 91 CG PRO A 7 17.755 0.937 1.561 1.00 0.00 C ATOM 92 CD PRO A 7 17.357 1.235 0.111 1.00 0.00 C ATOM 0 HA PRO A 7 20.540 0.562 -0.190 1.00 0.00 H new ATOM 0 HB2 PRO A 7 19.174 -0.655 2.047 1.00 0.00 H new ATOM 0 HB3 PRO A 7 19.887 0.945 2.047 1.00 0.00 H new ATOM 0 HG2 PRO A 7 17.040 0.256 2.023 1.00 0.00 H new ATOM 0 HG3 PRO A 7 17.755 1.851 2.155 1.00 0.00 H new ATOM 0 HD2 PRO A 7 16.444 0.707 -0.164 1.00 0.00 H new ATOM 0 HD3 PRO A 7 17.166 2.298 -0.035 1.00 0.00 H new ATOM 100 N CYS A 8 20.846 -1.899 -0.093 1.00 0.00 N ATOM 101 CA CYS A 8 21.051 -3.343 -0.355 1.00 0.00 C ATOM 102 C CYS A 8 22.038 -3.908 0.647 1.00 0.00 C ATOM 103 O CYS A 8 22.187 -3.374 1.729 1.00 0.00 O ATOM 104 CB CYS A 8 21.574 -3.530 -1.781 1.00 0.00 C ATOM 105 SG CYS A 8 23.095 -2.673 -2.252 1.00 0.00 S ATOM 0 H CYS A 8 21.679 -1.390 0.202 1.00 0.00 H new ATOM 0 HA CYS A 8 20.105 -3.874 -0.251 1.00 0.00 H new ATOM 0 HB2 CYS A 8 21.730 -4.597 -1.941 1.00 0.00 H new ATOM 0 HB3 CYS A 8 20.788 -3.216 -2.468 1.00 0.00 H new ATOM 110 N CYS A 9 22.702 -4.969 0.300 1.00 0.00 N ATOM 111 CA CYS A 9 23.675 -5.525 1.306 1.00 0.00 C ATOM 112 C CYS A 9 24.762 -6.459 0.761 1.00 0.00 C ATOM 113 O CYS A 9 25.149 -6.417 -0.378 1.00 0.00 O ATOM 114 CB CYS A 9 22.856 -6.347 2.277 1.00 0.00 C ATOM 115 SG CYS A 9 23.447 -6.446 3.967 1.00 0.00 S ATOM 0 H CYS A 9 22.630 -5.464 -0.589 1.00 0.00 H new ATOM 0 HA CYS A 9 24.200 -4.666 1.725 1.00 0.00 H new ATOM 0 HB2 CYS A 9 21.845 -5.940 2.296 1.00 0.00 H new ATOM 0 HB3 CYS A 9 22.784 -7.361 1.884 1.00 0.00 H new ATOM 120 N ASP A 10 25.274 -7.252 1.670 1.00 0.00 N ATOM 121 CA ASP A 10 26.336 -8.230 1.328 1.00 0.00 C ATOM 122 C ASP A 10 26.367 -9.291 2.414 1.00 0.00 C ATOM 123 O ASP A 10 26.245 -10.472 2.149 1.00 0.00 O ATOM 124 CB ASP A 10 27.690 -7.506 1.290 1.00 0.00 C ATOM 125 CG ASP A 10 28.295 -7.644 -0.108 1.00 0.00 C ATOM 126 OD1 ASP A 10 28.253 -8.755 -0.609 1.00 0.00 O ATOM 127 OD2 ASP A 10 28.764 -6.629 -0.596 1.00 0.00 O ATOM 0 H ASP A 10 24.991 -7.258 2.650 1.00 0.00 H new ATOM 0 HA ASP A 10 26.140 -8.685 0.357 1.00 0.00 H new ATOM 0 HB2 ASP A 10 27.560 -6.453 1.541 1.00 0.00 H new ATOM 0 HB3 ASP A 10 28.364 -7.930 2.034 1.00 0.00 H new ATOM 132 N GLN A 11 26.531 -8.830 3.624 1.00 0.00 N ATOM 133 CA GLN A 11 26.575 -9.751 4.787 1.00 0.00 C ATOM 134 C GLN A 11 25.447 -9.383 5.732 1.00 0.00 C ATOM 135 O GLN A 11 25.384 -8.268 6.214 1.00 0.00 O ATOM 136 CB GLN A 11 27.908 -9.577 5.523 1.00 0.00 C ATOM 137 CG GLN A 11 29.058 -10.015 4.609 1.00 0.00 C ATOM 138 CD GLN A 11 30.033 -10.879 5.409 1.00 0.00 C ATOM 139 OE1 GLN A 11 29.639 -11.759 6.148 1.00 0.00 O ATOM 140 NE2 GLN A 11 31.314 -10.665 5.287 1.00 0.00 N ATOM 0 H GLN A 11 26.637 -7.842 3.855 1.00 0.00 H new ATOM 0 HA GLN A 11 26.473 -10.782 4.449 1.00 0.00 H new ATOM 0 HB2 GLN A 11 28.040 -8.536 5.817 1.00 0.00 H new ATOM 0 HB3 GLN A 11 27.911 -10.170 6.438 1.00 0.00 H new ATOM 0 HG2 GLN A 11 28.670 -10.576 3.759 1.00 0.00 H new ATOM 0 HG3 GLN A 11 29.572 -9.142 4.207 1.00 0.00 H new ATOM 0 HE21 GLN A 11 31.651 -9.928 4.668 1.00 0.00 H new ATOM 0 HE22 GLN A 11 31.978 -11.235 5.810 1.00 0.00 H new ATOM 149 N CYS A 12 24.580 -10.319 5.975 1.00 0.00 N ATOM 150 CA CYS A 12 23.436 -10.050 6.885 1.00 0.00 C ATOM 151 C CYS A 12 23.512 -10.912 8.144 1.00 0.00 C ATOM 152 O CYS A 12 23.976 -12.033 8.103 1.00 0.00 O ATOM 153 CB CYS A 12 22.157 -10.408 6.127 1.00 0.00 C ATOM 154 SG CYS A 12 20.980 -9.074 5.827 1.00 0.00 S ATOM 0 H CYS A 12 24.613 -11.260 5.583 1.00 0.00 H new ATOM 0 HA CYS A 12 23.454 -9.003 7.188 1.00 0.00 H new ATOM 0 HB2 CYS A 12 22.442 -10.831 5.164 1.00 0.00 H new ATOM 0 HB3 CYS A 12 21.644 -11.194 6.681 1.00 0.00 H new ATOM 159 N ALA A 13 23.049 -10.371 9.242 1.00 0.00 N ATOM 160 CA ALA A 13 23.085 -11.148 10.517 1.00 0.00 C ATOM 161 C ALA A 13 21.904 -10.774 11.412 1.00 0.00 C ATOM 162 O ALA A 13 21.678 -9.609 11.675 1.00 0.00 O ATOM 163 CB ALA A 13 24.388 -10.808 11.256 1.00 0.00 C ATOM 0 H ALA A 13 22.651 -9.434 9.311 1.00 0.00 H new ATOM 0 HA ALA A 13 23.030 -12.212 10.287 1.00 0.00 H new ATOM 0 HB1 ALA A 13 24.432 -11.367 12.191 1.00 0.00 H new ATOM 0 HB2 ALA A 13 25.241 -11.076 10.632 1.00 0.00 H new ATOM 0 HB3 ALA A 13 24.417 -9.740 11.470 1.00 0.00 H new ATOM 169 N CYS A 14 21.172 -11.775 11.872 1.00 0.00 N ATOM 170 CA CYS A 14 19.999 -11.485 12.751 1.00 0.00 C ATOM 171 C CYS A 14 20.191 -11.983 14.169 1.00 0.00 C ATOM 172 O CYS A 14 20.855 -12.973 14.406 1.00 0.00 O ATOM 173 CB CYS A 14 18.759 -12.168 12.165 1.00 0.00 C ATOM 174 SG CYS A 14 17.406 -11.100 11.613 1.00 0.00 S ATOM 0 H CYS A 14 21.339 -12.762 11.676 1.00 0.00 H new ATOM 0 HA CYS A 14 19.884 -10.402 12.790 1.00 0.00 H new ATOM 0 HB2 CYS A 14 19.077 -12.775 11.317 1.00 0.00 H new ATOM 0 HB3 CYS A 14 18.364 -12.852 12.916 1.00 0.00 H new ATOM 179 N THR A 15 19.584 -11.270 15.086 1.00 0.00 N ATOM 180 CA THR A 15 19.688 -11.645 16.518 1.00 0.00 C ATOM 181 C THR A 15 18.354 -12.203 17.003 1.00 0.00 C ATOM 182 O THR A 15 17.304 -11.742 16.596 1.00 0.00 O ATOM 183 CB THR A 15 20.026 -10.380 17.322 1.00 0.00 C ATOM 184 OG1 THR A 15 21.424 -10.435 17.534 1.00 0.00 O ATOM 185 CG2 THR A 15 19.422 -10.436 18.735 1.00 0.00 C ATOM 0 H THR A 15 19.020 -10.442 14.897 1.00 0.00 H new ATOM 0 HA THR A 15 20.461 -12.402 16.650 1.00 0.00 H new ATOM 0 HB THR A 15 19.660 -9.502 16.789 1.00 0.00 H new ATOM 0 HG1 THR A 15 21.709 -9.649 18.045 1.00 0.00 H new ATOM 0 HG21 THR A 15 19.680 -9.526 19.277 1.00 0.00 H new ATOM 0 HG22 THR A 15 18.338 -10.521 18.664 1.00 0.00 H new ATOM 0 HG23 THR A 15 19.820 -11.300 19.267 1.00 0.00 H new ATOM 193 N LYS A 16 18.415 -13.185 17.859 1.00 0.00 N ATOM 194 CA LYS A 16 17.156 -13.776 18.374 1.00 0.00 C ATOM 195 C LYS A 16 16.413 -12.786 19.256 1.00 0.00 C ATOM 196 O LYS A 16 16.878 -12.428 20.319 1.00 0.00 O ATOM 197 CB LYS A 16 17.506 -15.012 19.225 1.00 0.00 C ATOM 198 CG LYS A 16 17.164 -16.305 18.467 1.00 0.00 C ATOM 199 CD LYS A 16 18.235 -16.569 17.410 1.00 0.00 C ATOM 200 CE LYS A 16 19.184 -17.650 17.930 1.00 0.00 C ATOM 201 NZ LYS A 16 20.284 -17.895 16.959 1.00 0.00 N ATOM 0 H LYS A 16 19.275 -13.598 18.219 1.00 0.00 H new ATOM 0 HA LYS A 16 16.523 -14.043 17.528 1.00 0.00 H new ATOM 0 HB2 LYS A 16 18.567 -15.000 19.474 1.00 0.00 H new ATOM 0 HB3 LYS A 16 16.957 -14.980 20.166 1.00 0.00 H new ATOM 0 HG2 LYS A 16 17.108 -17.143 19.161 1.00 0.00 H new ATOM 0 HG3 LYS A 16 16.185 -16.216 17.995 1.00 0.00 H new ATOM 0 HD2 LYS A 16 17.773 -16.890 16.476 1.00 0.00 H new ATOM 0 HD3 LYS A 16 18.787 -15.654 17.195 1.00 0.00 H new ATOM 0 HE2 LYS A 16 19.601 -17.344 18.890 1.00 0.00 H new ATOM 0 HE3 LYS A 16 18.632 -18.574 18.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 20.917 -18.632 17.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 19.883 -18.208 16.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 20.822 -17.017 16.815 1.00 0.00 H new ATOM 215 N SER A 17 15.273 -12.361 18.801 1.00 0.00 N ATOM 216 CA SER A 17 14.487 -11.394 19.602 1.00 0.00 C ATOM 217 C SER A 17 13.025 -11.426 19.178 1.00 0.00 C ATOM 218 O SER A 17 12.657 -12.175 18.294 1.00 0.00 O ATOM 219 CB SER A 17 15.058 -9.988 19.368 1.00 0.00 C ATOM 220 OG SER A 17 15.171 -9.440 20.673 1.00 0.00 O ATOM 0 H SER A 17 14.854 -12.640 17.914 1.00 0.00 H new ATOM 0 HA SER A 17 14.550 -11.657 20.658 1.00 0.00 H new ATOM 0 HB2 SER A 17 16.025 -10.029 18.867 1.00 0.00 H new ATOM 0 HB3 SER A 17 14.399 -9.389 18.740 1.00 0.00 H new ATOM 0 HG SER A 17 15.534 -8.532 20.616 1.00 0.00 H new ATOM 226 N ASN A 18 12.218 -10.614 19.816 1.00 0.00 N ATOM 227 CA ASN A 18 10.772 -10.587 19.460 1.00 0.00 C ATOM 228 C ASN A 18 10.233 -9.136 19.381 1.00 0.00 C ATOM 229 O ASN A 18 9.945 -8.549 20.406 1.00 0.00 O ATOM 230 CB ASN A 18 10.001 -11.307 20.581 1.00 0.00 C ATOM 231 CG ASN A 18 8.494 -11.155 20.335 1.00 0.00 C ATOM 232 OD1 ASN A 18 7.919 -11.833 19.507 1.00 0.00 O ATOM 233 ND2 ASN A 18 7.821 -10.277 21.030 1.00 0.00 N ATOM 0 H ASN A 18 12.498 -9.976 20.561 1.00 0.00 H new ATOM 0 HA ASN A 18 10.642 -11.064 18.489 1.00 0.00 H new ATOM 0 HB2 ASN A 18 10.273 -12.362 20.606 1.00 0.00 H new ATOM 0 HB3 ASN A 18 10.268 -10.886 21.550 1.00 0.00 H new ATOM 0 HD21 ASN A 18 6.819 -10.164 20.876 1.00 0.00 H new ATOM 0 HD22 ASN A 18 8.298 -9.704 21.727 1.00 0.00 H new ATOM 240 N PRO A 19 10.101 -8.556 18.171 1.00 0.00 N ATOM 241 CA PRO A 19 10.446 -9.187 16.870 1.00 0.00 C ATOM 242 C PRO A 19 11.971 -9.338 16.724 1.00 0.00 C ATOM 243 O PRO A 19 12.713 -8.638 17.376 1.00 0.00 O ATOM 244 CB PRO A 19 9.951 -8.176 15.811 1.00 0.00 C ATOM 245 CG PRO A 19 9.422 -6.923 16.561 1.00 0.00 C ATOM 246 CD PRO A 19 9.566 -7.192 18.064 1.00 0.00 C ATOM 0 HA PRO A 19 10.003 -10.178 16.774 1.00 0.00 H new ATOM 0 HB2 PRO A 19 10.762 -7.903 15.136 1.00 0.00 H new ATOM 0 HB3 PRO A 19 9.163 -8.617 15.201 1.00 0.00 H new ATOM 0 HG2 PRO A 19 9.988 -6.037 16.274 1.00 0.00 H new ATOM 0 HG3 PRO A 19 8.380 -6.733 16.303 1.00 0.00 H new ATOM 0 HD2 PRO A 19 10.237 -6.470 18.529 1.00 0.00 H new ATOM 0 HD3 PRO A 19 8.605 -7.107 18.571 1.00 0.00 H new ATOM 254 N PRO A 20 12.420 -10.236 15.857 1.00 0.00 N ATOM 255 CA PRO A 20 13.860 -10.437 15.660 1.00 0.00 C ATOM 256 C PRO A 20 14.520 -9.152 15.175 1.00 0.00 C ATOM 257 O PRO A 20 13.855 -8.271 14.669 1.00 0.00 O ATOM 258 CB PRO A 20 13.965 -11.515 14.561 1.00 0.00 C ATOM 259 CG PRO A 20 12.517 -11.855 14.102 1.00 0.00 C ATOM 260 CD PRO A 20 11.552 -11.081 15.016 1.00 0.00 C ATOM 0 HA PRO A 20 14.356 -10.728 16.586 1.00 0.00 H new ATOM 0 HB2 PRO A 20 14.558 -11.151 13.722 1.00 0.00 H new ATOM 0 HB3 PRO A 20 14.465 -12.405 14.943 1.00 0.00 H new ATOM 0 HG2 PRO A 20 12.368 -11.573 13.060 1.00 0.00 H new ATOM 0 HG3 PRO A 20 12.334 -12.927 14.171 1.00 0.00 H new ATOM 0 HD2 PRO A 20 10.856 -10.476 14.434 1.00 0.00 H new ATOM 0 HD3 PRO A 20 10.953 -11.760 15.623 1.00 0.00 H new ATOM 268 N GLN A 21 15.814 -9.072 15.338 1.00 0.00 N ATOM 269 CA GLN A 21 16.546 -7.860 14.897 1.00 0.00 C ATOM 270 C GLN A 21 17.466 -8.233 13.757 1.00 0.00 C ATOM 271 O GLN A 21 17.852 -9.379 13.640 1.00 0.00 O ATOM 272 CB GLN A 21 17.384 -7.362 16.076 1.00 0.00 C ATOM 273 CG GLN A 21 16.721 -6.128 16.687 1.00 0.00 C ATOM 274 CD GLN A 21 17.408 -5.795 18.012 1.00 0.00 C ATOM 275 OE1 GLN A 21 18.570 -6.328 18.272 1.00 0.00 O flip ATOM 276 NE2 GLN A 21 16.894 -5.051 18.821 1.00 0.00 N flip ATOM 0 H GLN A 21 16.393 -9.799 15.759 1.00 0.00 H new ATOM 0 HA GLN A 21 15.852 -7.087 14.568 1.00 0.00 H new ATOM 0 HB2 GLN A 21 17.478 -8.147 16.827 1.00 0.00 H new ATOM 0 HB3 GLN A 21 18.393 -7.118 15.742 1.00 0.00 H new ATOM 0 HG2 GLN A 21 16.795 -5.283 16.002 1.00 0.00 H new ATOM 0 HG3 GLN A 21 15.659 -6.313 16.850 1.00 0.00 H new ATOM 0 HE21 GLN A 21 15.986 -4.631 18.623 1.00 0.00 H new ATOM 0 HE22 GLN A 21 17.370 -4.845 19.699 1.00 0.00 H new ATOM 285 N CYS A 22 17.818 -7.290 12.924 1.00 0.00 N ATOM 286 CA CYS A 22 18.718 -7.672 11.814 1.00 0.00 C ATOM 287 C CYS A 22 19.541 -6.535 11.264 1.00 0.00 C ATOM 288 O CYS A 22 19.029 -5.560 10.756 1.00 0.00 O ATOM 289 CB CYS A 22 17.872 -8.256 10.680 1.00 0.00 C ATOM 290 SG CYS A 22 18.232 -9.956 10.167 1.00 0.00 S ATOM 0 H CYS A 22 17.532 -6.312 12.964 1.00 0.00 H new ATOM 0 HA CYS A 22 19.424 -8.396 12.222 1.00 0.00 H new ATOM 0 HB2 CYS A 22 16.825 -8.209 10.981 1.00 0.00 H new ATOM 0 HB3 CYS A 22 17.983 -7.610 9.809 1.00 0.00 H new ATOM 295 N ARG A 23 20.820 -6.706 11.383 1.00 0.00 N ATOM 296 CA ARG A 23 21.763 -5.695 10.891 1.00 0.00 C ATOM 297 C ARG A 23 22.295 -6.166 9.558 1.00 0.00 C ATOM 298 O ARG A 23 22.256 -7.346 9.271 1.00 0.00 O ATOM 299 CB ARG A 23 22.912 -5.587 11.915 1.00 0.00 C ATOM 300 CG ARG A 23 24.012 -6.613 11.571 1.00 0.00 C ATOM 301 CD ARG A 23 24.934 -6.833 12.784 1.00 0.00 C ATOM 302 NE ARG A 23 24.714 -5.758 13.793 1.00 0.00 N ATOM 303 CZ ARG A 23 25.001 -5.989 15.047 1.00 0.00 C ATOM 304 NH1 ARG A 23 26.154 -6.529 15.342 1.00 0.00 N ATOM 305 NH2 ARG A 23 24.127 -5.674 15.963 1.00 0.00 N ATOM 0 H ARG A 23 21.254 -7.524 11.811 1.00 0.00 H new ATOM 0 HA ARG A 23 21.288 -4.722 10.769 1.00 0.00 H new ATOM 0 HB2 ARG A 23 23.326 -4.579 11.907 1.00 0.00 H new ATOM 0 HB3 ARG A 23 22.534 -5.768 12.921 1.00 0.00 H new ATOM 0 HG2 ARG A 23 23.557 -7.558 11.275 1.00 0.00 H new ATOM 0 HG3 ARG A 23 24.596 -6.260 10.721 1.00 0.00 H new ATOM 0 HD2 ARG A 23 24.736 -7.808 13.230 1.00 0.00 H new ATOM 0 HD3 ARG A 23 25.976 -6.835 12.464 1.00 0.00 H new ATOM 0 HE ARG A 23 24.343 -4.852 13.508 1.00 0.00 H new ATOM 0 HH11 ARG A 23 26.813 -6.763 14.599 1.00 0.00 H new ATOM 0 HH12 ARG A 23 26.395 -6.717 16.315 1.00 0.00 H new ATOM 0 HH21 ARG A 23 23.237 -5.255 15.696 1.00 0.00 H new ATOM 0 HH22 ARG A 23 24.334 -5.847 16.947 1.00 0.00 H new ATOM 319 N CYS A 24 22.770 -5.266 8.761 1.00 0.00 N ATOM 320 CA CYS A 24 23.288 -5.692 7.461 1.00 0.00 C ATOM 321 C CYS A 24 24.437 -4.842 6.969 1.00 0.00 C ATOM 322 O CYS A 24 24.706 -3.777 7.487 1.00 0.00 O ATOM 323 CB CYS A 24 22.143 -5.554 6.499 1.00 0.00 C ATOM 324 SG CYS A 24 22.519 -4.910 4.864 1.00 0.00 S ATOM 0 H CYS A 24 22.819 -4.266 8.956 1.00 0.00 H new ATOM 0 HA CYS A 24 23.671 -6.709 7.544 1.00 0.00 H new ATOM 0 HB2 CYS A 24 21.683 -6.535 6.378 1.00 0.00 H new ATOM 0 HB3 CYS A 24 21.395 -4.905 6.954 1.00 0.00 H new ATOM 329 N SER A 25 25.091 -5.338 5.952 1.00 0.00 N ATOM 330 CA SER A 25 26.236 -4.590 5.391 1.00 0.00 C ATOM 331 C SER A 25 27.158 -4.196 6.516 1.00 0.00 C ATOM 332 O SER A 25 27.614 -3.073 6.600 1.00 0.00 O ATOM 333 CB SER A 25 25.707 -3.332 4.703 1.00 0.00 C ATOM 334 OG SER A 25 26.649 -3.080 3.671 1.00 0.00 O ATOM 0 H SER A 25 24.878 -6.224 5.493 1.00 0.00 H new ATOM 0 HA SER A 25 26.777 -5.205 4.672 1.00 0.00 H new ATOM 0 HB2 SER A 25 24.706 -3.489 4.300 1.00 0.00 H new ATOM 0 HB3 SER A 25 25.643 -2.495 5.398 1.00 0.00 H new ATOM 0 HG SER A 25 26.382 -2.280 3.172 1.00 0.00 H new ATOM 340 N ASP A 26 27.386 -5.149 7.370 1.00 0.00 N ATOM 341 CA ASP A 26 28.277 -4.923 8.542 1.00 0.00 C ATOM 342 C ASP A 26 29.387 -3.925 8.238 1.00 0.00 C ATOM 343 O ASP A 26 29.440 -2.862 8.828 1.00 0.00 O ATOM 344 CB ASP A 26 28.918 -6.264 8.920 1.00 0.00 C ATOM 345 CG ASP A 26 28.742 -6.506 10.420 1.00 0.00 C ATOM 346 OD1 ASP A 26 27.618 -6.354 10.864 1.00 0.00 O ATOM 347 OD2 ASP A 26 29.743 -6.827 11.040 1.00 0.00 O ATOM 0 H ASP A 26 26.989 -6.087 7.307 1.00 0.00 H new ATOM 0 HA ASP A 26 27.675 -4.516 9.354 1.00 0.00 H new ATOM 0 HB2 ASP A 26 28.457 -7.073 8.353 1.00 0.00 H new ATOM 0 HB3 ASP A 26 29.977 -6.259 8.663 1.00 0.00 H new ATOM 352 N MET A 27 30.248 -4.279 7.314 1.00 0.00 N ATOM 353 CA MET A 27 31.368 -3.352 6.963 1.00 0.00 C ATOM 354 C MET A 27 31.123 -2.628 5.641 1.00 0.00 C ATOM 355 O MET A 27 30.269 -2.999 4.861 1.00 0.00 O ATOM 356 CB MET A 27 32.679 -4.156 6.807 1.00 0.00 C ATOM 357 CG MET A 27 32.754 -5.296 7.829 1.00 0.00 C ATOM 358 SD MET A 27 32.528 -6.980 7.202 1.00 0.00 S ATOM 359 CE MET A 27 33.903 -6.966 6.020 1.00 0.00 C ATOM 0 H MET A 27 30.225 -5.157 6.795 1.00 0.00 H new ATOM 0 HA MET A 27 31.435 -2.620 7.768 1.00 0.00 H new ATOM 0 HB2 MET A 27 32.741 -4.564 5.798 1.00 0.00 H new ATOM 0 HB3 MET A 27 33.534 -3.492 6.935 1.00 0.00 H new ATOM 0 HG2 MET A 27 33.725 -5.246 8.322 1.00 0.00 H new ATOM 0 HG3 MET A 27 31.999 -5.115 8.594 1.00 0.00 H new ATOM 0 HE1 MET A 27 34.309 -7.973 5.923 1.00 0.00 H new ATOM 0 HE2 MET A 27 33.545 -6.624 5.049 1.00 0.00 H new ATOM 0 HE3 MET A 27 34.683 -6.293 6.377 1.00 0.00 H new ATOM 369 N ARG A 28 31.898 -1.603 5.433 1.00 0.00 N ATOM 370 CA ARG A 28 31.784 -0.799 4.188 1.00 0.00 C ATOM 371 C ARG A 28 33.125 -0.058 4.018 1.00 0.00 C ATOM 372 O ARG A 28 33.664 0.447 4.980 1.00 0.00 O ATOM 373 CB ARG A 28 30.534 0.150 4.341 1.00 0.00 C ATOM 374 CG ARG A 28 30.851 1.649 4.154 1.00 0.00 C ATOM 375 CD ARG A 28 30.687 2.005 2.677 1.00 0.00 C ATOM 376 NE ARG A 28 31.190 0.882 1.840 1.00 0.00 N ATOM 377 CZ ARG A 28 30.484 0.472 0.819 1.00 0.00 C ATOM 378 NH1 ARG A 28 29.636 1.295 0.265 1.00 0.00 N ATOM 379 NH2 ARG A 28 30.659 -0.743 0.380 1.00 0.00 N ATOM 0 H ARG A 28 32.616 -1.284 6.083 1.00 0.00 H new ATOM 0 HA ARG A 28 31.616 -1.390 3.288 1.00 0.00 H new ATOM 0 HB2 ARG A 28 29.778 -0.144 3.613 1.00 0.00 H new ATOM 0 HB3 ARG A 28 30.099 0.003 5.329 1.00 0.00 H new ATOM 0 HG2 ARG A 28 30.183 2.255 4.765 1.00 0.00 H new ATOM 0 HG3 ARG A 28 31.867 1.864 4.484 1.00 0.00 H new ATOM 0 HD2 ARG A 28 29.638 2.199 2.452 1.00 0.00 H new ATOM 0 HD3 ARG A 28 31.236 2.918 2.448 1.00 0.00 H new ATOM 0 HE ARG A 28 32.080 0.435 2.061 1.00 0.00 H new ATOM 0 HH11 ARG A 28 29.532 2.242 0.629 1.00 0.00 H new ATOM 0 HH12 ARG A 28 29.077 0.991 -0.532 1.00 0.00 H new ATOM 0 HH21 ARG A 28 31.338 -1.356 0.832 1.00 0.00 H new ATOM 0 HH22 ARG A 28 30.117 -1.081 -0.416 1.00 0.00 H new ATOM 393 N LEU A 29 33.632 0.006 2.813 1.00 0.00 N ATOM 394 CA LEU A 29 34.944 0.708 2.609 1.00 0.00 C ATOM 395 C LEU A 29 34.849 2.176 2.160 1.00 0.00 C ATOM 396 O LEU A 29 35.687 2.650 1.416 1.00 0.00 O ATOM 397 CB LEU A 29 35.698 -0.082 1.542 1.00 0.00 C ATOM 398 CG LEU A 29 37.143 -0.319 2.001 1.00 0.00 C ATOM 399 CD1 LEU A 29 37.858 -1.211 0.981 1.00 0.00 C ATOM 400 CD2 LEU A 29 37.868 1.029 2.086 1.00 0.00 C ATOM 0 H LEU A 29 33.207 -0.388 1.974 1.00 0.00 H new ATOM 0 HA LEU A 29 35.444 0.742 3.577 1.00 0.00 H new ATOM 0 HB2 LEU A 29 35.202 -1.036 1.363 1.00 0.00 H new ATOM 0 HB3 LEU A 29 35.690 0.463 0.598 1.00 0.00 H new ATOM 0 HG LEU A 29 37.145 -0.804 2.977 1.00 0.00 H new ATOM 0 HD11 LEU A 29 38.885 -1.382 1.304 1.00 0.00 H new ATOM 0 HD12 LEU A 29 37.338 -2.166 0.905 1.00 0.00 H new ATOM 0 HD13 LEU A 29 37.860 -0.721 0.007 1.00 0.00 H new ATOM 0 HD21 LEU A 29 38.896 0.869 2.412 1.00 0.00 H new ATOM 0 HD22 LEU A 29 37.868 1.505 1.105 1.00 0.00 H new ATOM 0 HD23 LEU A 29 37.357 1.673 2.802 1.00 0.00 H new ATOM 412 N ASN A 30 33.859 2.861 2.601 1.00 0.00 N ATOM 413 CA ASN A 30 33.733 4.302 2.191 1.00 0.00 C ATOM 414 C ASN A 30 32.806 5.105 3.134 1.00 0.00 C ATOM 415 O ASN A 30 33.257 5.629 4.135 1.00 0.00 O ATOM 416 CB ASN A 30 33.222 4.396 0.724 1.00 0.00 C ATOM 417 CG ASN A 30 32.764 3.025 0.219 1.00 0.00 C ATOM 418 OD1 ASN A 30 31.587 2.736 0.157 1.00 0.00 O ATOM 419 ND2 ASN A 30 33.660 2.161 -0.174 1.00 0.00 N ATOM 0 H ASN A 30 33.128 2.511 3.221 1.00 0.00 H new ATOM 0 HA ASN A 30 34.725 4.748 2.262 1.00 0.00 H new ATOM 0 HB2 ASN A 30 32.396 5.104 0.667 1.00 0.00 H new ATOM 0 HB3 ASN A 30 34.015 4.779 0.082 1.00 0.00 H new ATOM 0 HD21 ASN A 30 33.369 1.251 -0.530 1.00 0.00 H new ATOM 0 HD22 ASN A 30 34.651 2.396 -0.125 1.00 0.00 H new ATOM 426 N SER A 31 31.538 5.198 2.801 1.00 0.00 N ATOM 427 CA SER A 31 30.603 5.965 3.679 1.00 0.00 C ATOM 428 C SER A 31 29.229 5.304 3.740 1.00 0.00 C ATOM 429 O SER A 31 28.985 4.315 3.084 1.00 0.00 O ATOM 430 CB SER A 31 30.442 7.370 3.083 1.00 0.00 C ATOM 431 OG SER A 31 31.759 7.897 3.080 1.00 0.00 O ATOM 0 H SER A 31 31.118 4.781 1.970 1.00 0.00 H new ATOM 0 HA SER A 31 31.013 5.998 4.689 1.00 0.00 H new ATOM 0 HB2 SER A 31 30.026 7.331 2.076 1.00 0.00 H new ATOM 0 HB3 SER A 31 29.769 7.983 3.683 1.00 0.00 H new ATOM 0 HG SER A 31 31.748 8.804 2.708 1.00 0.00 H new ATOM 437 N CYS A 32 28.343 5.867 4.528 1.00 0.00 N ATOM 438 CA CYS A 32 26.988 5.266 4.629 1.00 0.00 C ATOM 439 C CYS A 32 26.062 5.866 3.582 1.00 0.00 C ATOM 440 O CYS A 32 26.481 6.669 2.770 1.00 0.00 O ATOM 441 CB CYS A 32 26.390 5.573 6.013 1.00 0.00 C ATOM 442 SG CYS A 32 27.307 6.635 7.134 1.00 0.00 S ATOM 0 H CYS A 32 28.501 6.701 5.093 1.00 0.00 H new ATOM 0 HA CYS A 32 27.080 4.191 4.475 1.00 0.00 H new ATOM 0 HB2 CYS A 32 25.411 6.025 5.857 1.00 0.00 H new ATOM 0 HB3 CYS A 32 26.225 4.622 6.520 1.00 0.00 H new ATOM 447 N HIS A 33 24.815 5.460 3.625 1.00 0.00 N ATOM 448 CA HIS A 33 23.834 5.990 2.647 1.00 0.00 C ATOM 449 C HIS A 33 22.553 6.451 3.352 1.00 0.00 C ATOM 450 O HIS A 33 22.586 7.371 4.144 1.00 0.00 O ATOM 451 CB HIS A 33 23.502 4.884 1.628 1.00 0.00 C ATOM 452 CG HIS A 33 23.273 3.560 2.343 1.00 0.00 C ATOM 453 ND1 HIS A 33 22.542 3.393 3.345 1.00 0.00 N ATOM 454 CD2 HIS A 33 23.771 2.311 2.042 1.00 0.00 C ATOM 455 CE1 HIS A 33 22.527 2.175 3.701 1.00 0.00 C ATOM 456 NE2 HIS A 33 23.284 1.410 2.924 1.00 0.00 N ATOM 0 H HIS A 33 24.443 4.787 4.295 1.00 0.00 H new ATOM 0 HA HIS A 33 24.267 6.851 2.138 1.00 0.00 H new ATOM 0 HB2 HIS A 33 22.612 5.158 1.061 1.00 0.00 H new ATOM 0 HB3 HIS A 33 24.318 4.782 0.912 1.00 0.00 H new ATOM 0 HD2 HIS A 33 24.445 2.087 1.228 1.00 0.00 H new ATOM 0 HE1 HIS A 33 21.961 1.802 4.542 1.00 0.00 H new ATOM 0 HE2 HIS A 33 23.454 0.406 2.978 1.00 0.00 H new ATOM 464 N SER A 34 21.452 5.802 3.066 1.00 0.00 N ATOM 465 CA SER A 34 20.170 6.204 3.714 1.00 0.00 C ATOM 466 C SER A 34 19.787 5.303 4.883 1.00 0.00 C ATOM 467 O SER A 34 19.254 5.762 5.872 1.00 0.00 O ATOM 468 CB SER A 34 19.065 6.114 2.653 1.00 0.00 C ATOM 469 OG SER A 34 19.725 5.580 1.512 1.00 0.00 O ATOM 0 H SER A 34 21.387 5.018 2.417 1.00 0.00 H new ATOM 0 HA SER A 34 20.293 7.213 4.108 1.00 0.00 H new ATOM 0 HB2 SER A 34 18.249 5.469 2.980 1.00 0.00 H new ATOM 0 HB3 SER A 34 18.633 7.092 2.443 1.00 0.00 H new ATOM 0 HG SER A 34 19.084 5.486 0.777 1.00 0.00 H new ATOM 475 N ALA A 35 20.070 4.051 4.755 1.00 0.00 N ATOM 476 CA ALA A 35 19.724 3.102 5.855 1.00 0.00 C ATOM 477 C ALA A 35 20.845 3.001 6.904 1.00 0.00 C ATOM 478 O ALA A 35 21.247 1.928 7.309 1.00 0.00 O ATOM 479 CB ALA A 35 19.457 1.720 5.217 1.00 0.00 C ATOM 0 H ALA A 35 20.525 3.633 3.943 1.00 0.00 H new ATOM 0 HA ALA A 35 18.841 3.466 6.380 1.00 0.00 H new ATOM 0 HB1 ALA A 35 19.201 1.003 5.997 1.00 0.00 H new ATOM 0 HB2 ALA A 35 18.630 1.799 4.511 1.00 0.00 H new ATOM 0 HB3 ALA A 35 20.351 1.382 4.693 1.00 0.00 H new ATOM 485 N CYS A 36 21.314 4.129 7.341 1.00 0.00 N ATOM 486 CA CYS A 36 22.389 4.132 8.347 1.00 0.00 C ATOM 487 C CYS A 36 22.422 5.475 9.064 1.00 0.00 C ATOM 488 O CYS A 36 22.917 6.457 8.547 1.00 0.00 O ATOM 489 CB CYS A 36 23.715 3.910 7.628 1.00 0.00 C ATOM 490 SG CYS A 36 25.047 3.071 8.538 1.00 0.00 S ATOM 0 H CYS A 36 20.995 5.050 7.041 1.00 0.00 H new ATOM 0 HA CYS A 36 22.216 3.345 9.081 1.00 0.00 H new ATOM 0 HB2 CYS A 36 23.513 3.334 6.725 1.00 0.00 H new ATOM 0 HB3 CYS A 36 24.089 4.883 7.309 1.00 0.00 H new ATOM 495 N LYS A 37 21.874 5.490 10.232 1.00 0.00 N ATOM 496 CA LYS A 37 21.848 6.743 11.017 1.00 0.00 C ATOM 497 C LYS A 37 23.074 6.844 11.894 1.00 0.00 C ATOM 498 O LYS A 37 23.574 7.920 12.153 1.00 0.00 O ATOM 499 CB LYS A 37 20.611 6.716 11.921 1.00 0.00 C ATOM 500 CG LYS A 37 19.539 7.642 11.345 1.00 0.00 C ATOM 501 CD LYS A 37 18.219 7.396 12.078 1.00 0.00 C ATOM 502 CE LYS A 37 17.168 8.368 11.547 1.00 0.00 C ATOM 503 NZ LYS A 37 16.000 8.425 12.469 1.00 0.00 N ATOM 0 H LYS A 37 21.439 4.685 10.683 1.00 0.00 H new ATOM 0 HA LYS A 37 21.825 7.593 10.335 1.00 0.00 H new ATOM 0 HB2 LYS A 37 20.226 5.699 11.998 1.00 0.00 H new ATOM 0 HB3 LYS A 37 20.877 7.033 12.929 1.00 0.00 H new ATOM 0 HG2 LYS A 37 19.842 8.683 11.456 1.00 0.00 H new ATOM 0 HG3 LYS A 37 19.417 7.457 10.278 1.00 0.00 H new ATOM 0 HD2 LYS A 37 17.891 6.367 11.928 1.00 0.00 H new ATOM 0 HD3 LYS A 37 18.352 7.535 13.151 1.00 0.00 H new ATOM 0 HE2 LYS A 37 17.604 9.361 11.440 1.00 0.00 H new ATOM 0 HE3 LYS A 37 16.842 8.054 10.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 15.294 9.090 12.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 15.576 7.479 12.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 16.314 8.746 13.407 1.00 0.00 H new ATOM 517 N SER A 38 23.528 5.709 12.333 1.00 0.00 N ATOM 518 CA SER A 38 24.728 5.671 13.205 1.00 0.00 C ATOM 519 C SER A 38 25.827 4.815 12.593 1.00 0.00 C ATOM 520 O SER A 38 26.010 3.674 12.965 1.00 0.00 O ATOM 521 CB SER A 38 24.316 5.056 14.548 1.00 0.00 C ATOM 522 OG SER A 38 23.982 6.175 15.355 1.00 0.00 O ATOM 0 H SER A 38 23.117 4.799 12.124 1.00 0.00 H new ATOM 0 HA SER A 38 25.111 6.684 13.328 1.00 0.00 H new ATOM 0 HB2 SER A 38 23.468 4.380 14.433 1.00 0.00 H new ATOM 0 HB3 SER A 38 25.128 4.477 14.987 1.00 0.00 H new ATOM 0 HG SER A 38 23.702 5.867 16.242 1.00 0.00 H new ATOM 528 N CYS A 39 26.524 5.367 11.641 1.00 0.00 N ATOM 529 CA CYS A 39 27.594 4.606 11.013 1.00 0.00 C ATOM 530 C CYS A 39 28.953 4.966 11.576 1.00 0.00 C ATOM 531 O CYS A 39 29.364 6.107 11.501 1.00 0.00 O ATOM 532 CB CYS A 39 27.644 4.967 9.554 1.00 0.00 C ATOM 533 SG CYS A 39 26.500 6.194 8.927 1.00 0.00 S ATOM 0 H CYS A 39 26.386 6.312 11.283 1.00 0.00 H new ATOM 0 HA CYS A 39 27.388 3.550 11.189 1.00 0.00 H new ATOM 0 HB2 CYS A 39 28.653 5.315 9.335 1.00 0.00 H new ATOM 0 HB3 CYS A 39 27.491 4.051 8.982 1.00 0.00 H new ATOM 538 N ILE A 40 29.640 4.012 12.130 1.00 0.00 N ATOM 539 CA ILE A 40 30.960 4.351 12.666 1.00 0.00 C ATOM 540 C ILE A 40 31.735 4.660 11.433 1.00 0.00 C ATOM 541 O ILE A 40 31.413 4.091 10.407 1.00 0.00 O ATOM 542 CB ILE A 40 31.550 3.109 13.350 1.00 0.00 C ATOM 543 CG1 ILE A 40 30.457 2.375 14.133 1.00 0.00 C ATOM 544 CG2 ILE A 40 32.684 3.536 14.319 1.00 0.00 C ATOM 545 CD1 ILE A 40 29.648 3.379 14.961 1.00 0.00 C ATOM 0 H ILE A 40 29.347 3.040 12.229 1.00 0.00 H new ATOM 0 HA ILE A 40 30.957 5.161 13.395 1.00 0.00 H new ATOM 0 HB ILE A 40 31.955 2.442 12.589 1.00 0.00 H new ATOM 0 HG12 ILE A 40 29.799 1.843 13.445 1.00 0.00 H new ATOM 0 HG13 ILE A 40 30.905 1.628 14.788 1.00 0.00 H new ATOM 0 HG21 ILE A 40 33.101 2.653 14.803 1.00 0.00 H new ATOM 0 HG22 ILE A 40 33.468 4.047 13.759 1.00 0.00 H new ATOM 0 HG23 ILE A 40 32.281 4.209 15.076 1.00 0.00 H new ATOM 0 HD11 ILE A 40 28.872 2.852 15.516 1.00 0.00 H new ATOM 0 HD12 ILE A 40 30.309 3.891 15.660 1.00 0.00 H new ATOM 0 HD13 ILE A 40 29.186 4.110 14.297 1.00 0.00 H new ATOM 557 N CYS A 41 32.714 5.515 11.432 1.00 0.00 N ATOM 558 CA CYS A 41 33.323 5.662 10.110 1.00 0.00 C ATOM 559 C CYS A 41 34.612 6.466 10.048 1.00 0.00 C ATOM 560 O CYS A 41 34.752 7.524 10.630 1.00 0.00 O ATOM 561 CB CYS A 41 32.265 6.350 9.255 1.00 0.00 C ATOM 562 SG CYS A 41 31.466 5.366 7.963 1.00 0.00 S ATOM 0 H CYS A 41 33.084 6.064 12.208 1.00 0.00 H new ATOM 0 HA CYS A 41 33.619 4.670 9.769 1.00 0.00 H new ATOM 0 HB2 CYS A 41 31.488 6.727 9.920 1.00 0.00 H new ATOM 0 HB3 CYS A 41 32.727 7.216 8.781 1.00 0.00 H new ATOM 567 N ALA A 42 35.522 5.894 9.312 1.00 0.00 N ATOM 568 CA ALA A 42 36.862 6.502 9.103 1.00 0.00 C ATOM 569 C ALA A 42 36.901 7.095 7.697 1.00 0.00 C ATOM 570 O ALA A 42 36.886 6.359 6.721 1.00 0.00 O ATOM 571 CB ALA A 42 37.929 5.395 9.206 1.00 0.00 C ATOM 0 H ALA A 42 35.387 5.004 8.833 1.00 0.00 H new ATOM 0 HA ALA A 42 37.054 7.274 9.848 1.00 0.00 H new ATOM 0 HB1 ALA A 42 38.918 5.828 9.054 1.00 0.00 H new ATOM 0 HB2 ALA A 42 37.882 4.935 10.193 1.00 0.00 H new ATOM 0 HB3 ALA A 42 37.743 4.639 8.444 1.00 0.00 H new ATOM 577 N LEU A 43 36.957 8.396 7.602 1.00 0.00 N ATOM 578 CA LEU A 43 36.988 9.019 6.248 1.00 0.00 C ATOM 579 C LEU A 43 38.410 9.170 5.678 1.00 0.00 C ATOM 580 O LEU A 43 38.637 9.982 4.800 1.00 0.00 O ATOM 581 CB LEU A 43 36.324 10.410 6.349 1.00 0.00 C ATOM 582 CG LEU A 43 34.915 10.354 5.731 1.00 0.00 C ATOM 583 CD1 LEU A 43 34.099 11.543 6.244 1.00 0.00 C ATOM 584 CD2 LEU A 43 35.023 10.442 4.200 1.00 0.00 C ATOM 0 H LEU A 43 36.982 9.045 8.389 1.00 0.00 H new ATOM 0 HA LEU A 43 36.452 8.361 5.564 1.00 0.00 H new ATOM 0 HB2 LEU A 43 36.263 10.720 7.392 1.00 0.00 H new ATOM 0 HB3 LEU A 43 36.931 11.153 5.831 1.00 0.00 H new ATOM 0 HG LEU A 43 34.429 9.419 6.010 1.00 0.00 H new ATOM 0 HD11 LEU A 43 33.099 11.512 5.811 1.00 0.00 H new ATOM 0 HD12 LEU A 43 34.026 11.493 7.330 1.00 0.00 H new ATOM 0 HD13 LEU A 43 34.590 12.473 5.956 1.00 0.00 H new ATOM 0 HD21 LEU A 43 34.026 10.402 3.762 1.00 0.00 H new ATOM 0 HD22 LEU A 43 35.504 11.380 3.923 1.00 0.00 H new ATOM 0 HD23 LEU A 43 35.616 9.606 3.828 1.00 0.00 H new ATOM 596 N SER A 44 39.337 8.386 6.169 1.00 0.00 N ATOM 597 CA SER A 44 40.735 8.493 5.644 1.00 0.00 C ATOM 598 C SER A 44 41.001 7.384 4.650 1.00 0.00 C ATOM 599 O SER A 44 40.909 6.231 4.972 1.00 0.00 O ATOM 600 CB SER A 44 41.713 8.354 6.802 1.00 0.00 C ATOM 601 OG SER A 44 41.676 6.972 7.131 1.00 0.00 O ATOM 0 H SER A 44 39.192 7.688 6.898 1.00 0.00 H new ATOM 0 HA SER A 44 40.859 9.459 5.154 1.00 0.00 H new ATOM 0 HB2 SER A 44 42.717 8.667 6.514 1.00 0.00 H new ATOM 0 HB3 SER A 44 41.416 8.972 7.649 1.00 0.00 H new ATOM 0 HG SER A 44 40.888 6.559 6.721 1.00 0.00 H new ATOM 607 N TYR A 45 41.364 7.752 3.470 1.00 0.00 N ATOM 608 CA TYR A 45 41.637 6.711 2.446 1.00 0.00 C ATOM 609 C TYR A 45 43.035 6.070 2.660 1.00 0.00 C ATOM 610 O TYR A 45 44.016 6.785 2.723 1.00 0.00 O ATOM 611 CB TYR A 45 41.596 7.384 1.067 1.00 0.00 C ATOM 612 CG TYR A 45 40.181 7.231 0.499 1.00 0.00 C ATOM 613 CD1 TYR A 45 39.086 7.608 1.251 1.00 0.00 C ATOM 614 CD2 TYR A 45 39.977 6.686 -0.753 1.00 0.00 C ATOM 615 CE1 TYR A 45 37.807 7.439 0.762 1.00 0.00 C ATOM 616 CE2 TYR A 45 38.695 6.518 -1.243 1.00 0.00 C ATOM 617 CZ TYR A 45 37.602 6.893 -0.488 1.00 0.00 C ATOM 618 OH TYR A 45 36.320 6.718 -0.971 1.00 0.00 O ATOM 0 H TYR A 45 41.485 8.717 3.163 1.00 0.00 H new ATOM 0 HA TYR A 45 40.888 5.923 2.523 1.00 0.00 H new ATOM 0 HB2 TYR A 45 41.859 8.438 1.151 1.00 0.00 H new ATOM 0 HB3 TYR A 45 42.325 6.926 0.399 1.00 0.00 H new ATOM 0 HD1 TYR A 45 39.232 8.039 2.230 1.00 0.00 H new ATOM 0 HD2 TYR A 45 40.824 6.389 -1.353 1.00 0.00 H new ATOM 0 HE1 TYR A 45 36.960 7.736 1.362 1.00 0.00 H new ATOM 0 HE2 TYR A 45 38.548 6.090 -2.224 1.00 0.00 H new ATOM 0 HH TYR A 45 36.359 6.322 -1.867 1.00 0.00 H new ATOM 628 N PRO A 46 43.131 4.718 2.763 1.00 0.00 N ATOM 629 CA PRO A 46 41.993 3.756 2.676 1.00 0.00 C ATOM 630 C PRO A 46 41.031 3.882 3.861 1.00 0.00 C ATOM 631 O PRO A 46 41.415 3.740 5.006 1.00 0.00 O ATOM 632 CB PRO A 46 42.652 2.362 2.713 1.00 0.00 C ATOM 633 CG PRO A 46 44.179 2.572 2.914 1.00 0.00 C ATOM 634 CD PRO A 46 44.439 4.087 2.962 1.00 0.00 C ATOM 0 HA PRO A 46 41.404 3.942 1.778 1.00 0.00 H new ATOM 0 HB2 PRO A 46 42.237 1.763 3.524 1.00 0.00 H new ATOM 0 HB3 PRO A 46 42.458 1.822 1.787 1.00 0.00 H new ATOM 0 HG2 PRO A 46 44.512 2.097 3.837 1.00 0.00 H new ATOM 0 HG3 PRO A 46 44.739 2.113 2.099 1.00 0.00 H new ATOM 0 HD2 PRO A 46 44.874 4.380 3.917 1.00 0.00 H new ATOM 0 HD3 PRO A 46 45.142 4.389 2.186 1.00 0.00 H new ATOM 642 N ALA A 47 39.793 4.145 3.541 1.00 0.00 N ATOM 643 CA ALA A 47 38.757 4.297 4.593 1.00 0.00 C ATOM 644 C ALA A 47 38.310 2.977 5.174 1.00 0.00 C ATOM 645 O ALA A 47 38.645 1.912 4.697 1.00 0.00 O ATOM 646 CB ALA A 47 37.532 4.972 3.953 1.00 0.00 C ATOM 0 H ALA A 47 39.456 4.261 2.586 1.00 0.00 H new ATOM 0 HA ALA A 47 39.189 4.885 5.403 1.00 0.00 H new ATOM 0 HB1 ALA A 47 36.752 5.097 4.704 1.00 0.00 H new ATOM 0 HB2 ALA A 47 37.818 5.948 3.560 1.00 0.00 H new ATOM 0 HB3 ALA A 47 37.157 4.350 3.140 1.00 0.00 H new ATOM 652 N GLN A 48 37.561 3.107 6.213 1.00 0.00 N ATOM 653 CA GLN A 48 37.012 1.939 6.931 1.00 0.00 C ATOM 654 C GLN A 48 35.692 2.399 7.449 1.00 0.00 C ATOM 655 O GLN A 48 35.570 3.555 7.804 1.00 0.00 O ATOM 656 CB GLN A 48 37.931 1.574 8.114 1.00 0.00 C ATOM 657 CG GLN A 48 39.176 0.847 7.590 1.00 0.00 C ATOM 658 CD GLN A 48 38.778 -0.536 7.067 1.00 0.00 C ATOM 659 OE1 GLN A 48 38.594 -0.734 5.883 1.00 0.00 O ATOM 660 NE2 GLN A 48 38.630 -1.518 7.917 1.00 0.00 N ATOM 0 H GLN A 48 37.295 4.007 6.612 1.00 0.00 H new ATOM 0 HA GLN A 48 36.928 1.061 6.291 1.00 0.00 H new ATOM 0 HB2 GLN A 48 38.223 2.475 8.653 1.00 0.00 H new ATOM 0 HB3 GLN A 48 37.397 0.939 8.821 1.00 0.00 H new ATOM 0 HG2 GLN A 48 39.641 1.428 6.794 1.00 0.00 H new ATOM 0 HG3 GLN A 48 39.914 0.748 8.386 1.00 0.00 H new ATOM 0 HE21 GLN A 48 38.783 -1.358 8.913 1.00 0.00 H new ATOM 0 HE22 GLN A 48 38.361 -2.444 7.585 1.00 0.00 H new ATOM 669 N CYS A 49 34.702 1.569 7.491 1.00 0.00 N ATOM 670 CA CYS A 49 33.452 2.131 8.007 1.00 0.00 C ATOM 671 C CYS A 49 32.487 1.030 8.447 1.00 0.00 C ATOM 672 O CYS A 49 32.550 -0.079 7.954 1.00 0.00 O ATOM 673 CB CYS A 49 32.878 2.913 6.821 1.00 0.00 C ATOM 674 SG CYS A 49 32.981 4.727 6.848 1.00 0.00 S ATOM 0 H CYS A 49 34.701 0.589 7.209 1.00 0.00 H new ATOM 0 HA CYS A 49 33.612 2.754 8.887 1.00 0.00 H new ATOM 0 HB2 CYS A 49 33.382 2.566 5.919 1.00 0.00 H new ATOM 0 HB3 CYS A 49 31.827 2.642 6.723 1.00 0.00 H new ATOM 679 N PHE A 50 31.608 1.357 9.376 1.00 0.00 N ATOM 680 CA PHE A 50 30.638 0.331 9.853 1.00 0.00 C ATOM 681 C PHE A 50 29.237 0.914 10.035 1.00 0.00 C ATOM 682 O PHE A 50 29.072 2.102 10.220 1.00 0.00 O ATOM 683 CB PHE A 50 31.129 -0.179 11.221 1.00 0.00 C ATOM 684 CG PHE A 50 31.306 -1.698 11.168 1.00 0.00 C ATOM 685 CD1 PHE A 50 32.489 -2.252 10.710 1.00 0.00 C ATOM 686 CD2 PHE A 50 30.288 -2.539 11.584 1.00 0.00 C ATOM 687 CE1 PHE A 50 32.650 -3.621 10.670 1.00 0.00 C ATOM 688 CE2 PHE A 50 30.452 -3.908 11.543 1.00 0.00 C ATOM 689 CZ PHE A 50 31.632 -4.448 11.085 1.00 0.00 C ATOM 0 H PHE A 50 31.528 2.275 9.812 1.00 0.00 H new ATOM 0 HA PHE A 50 30.581 -0.466 9.112 1.00 0.00 H new ATOM 0 HB2 PHE A 50 32.074 0.299 11.481 1.00 0.00 H new ATOM 0 HB3 PHE A 50 30.413 0.087 11.998 1.00 0.00 H new ATOM 0 HD1 PHE A 50 33.291 -1.608 10.382 1.00 0.00 H new ATOM 0 HD2 PHE A 50 29.359 -2.120 11.943 1.00 0.00 H new ATOM 0 HE1 PHE A 50 33.577 -4.045 10.312 1.00 0.00 H new ATOM 0 HE2 PHE A 50 29.653 -4.557 11.871 1.00 0.00 H new ATOM 0 HZ PHE A 50 31.759 -5.520 11.051 1.00 0.00 H new ATOM 699 N CYS A 51 28.251 0.048 9.967 1.00 0.00 N ATOM 700 CA CYS A 51 26.839 0.500 10.131 1.00 0.00 C ATOM 701 C CYS A 51 26.198 -0.273 11.272 1.00 0.00 C ATOM 702 O CYS A 51 25.879 -1.436 11.120 1.00 0.00 O ATOM 703 CB CYS A 51 26.063 0.214 8.830 1.00 0.00 C ATOM 704 SG CYS A 51 24.509 1.121 8.560 1.00 0.00 S ATOM 0 H CYS A 51 28.368 -0.952 9.805 1.00 0.00 H new ATOM 0 HA CYS A 51 26.816 1.568 10.349 1.00 0.00 H new ATOM 0 HB2 CYS A 51 26.725 0.425 7.990 1.00 0.00 H new ATOM 0 HB3 CYS A 51 25.839 -0.852 8.800 1.00 0.00 H new ATOM 709 N VAL A 52 26.012 0.376 12.404 1.00 0.00 N ATOM 710 CA VAL A 52 25.388 -0.360 13.541 1.00 0.00 C ATOM 711 C VAL A 52 23.872 -0.255 13.498 1.00 0.00 C ATOM 712 O VAL A 52 23.189 -0.760 14.368 1.00 0.00 O ATOM 713 CB VAL A 52 25.908 0.211 14.875 1.00 0.00 C ATOM 714 CG1 VAL A 52 27.386 -0.159 15.037 1.00 0.00 C ATOM 715 CG2 VAL A 52 25.765 1.725 14.882 1.00 0.00 C ATOM 0 H VAL A 52 26.258 1.350 12.581 1.00 0.00 H new ATOM 0 HA VAL A 52 25.660 -1.412 13.457 1.00 0.00 H new ATOM 0 HB VAL A 52 25.327 -0.207 15.697 1.00 0.00 H new ATOM 0 HG11 VAL A 52 27.760 0.242 15.979 1.00 0.00 H new ATOM 0 HG12 VAL A 52 27.492 -1.244 15.037 1.00 0.00 H new ATOM 0 HG13 VAL A 52 27.959 0.261 14.211 1.00 0.00 H new ATOM 0 HG21 VAL A 52 26.135 2.121 15.828 1.00 0.00 H new ATOM 0 HG22 VAL A 52 26.343 2.149 14.061 1.00 0.00 H new ATOM 0 HG23 VAL A 52 24.715 1.992 14.762 1.00 0.00 H new ATOM 725 N ASP A 53 23.365 0.399 12.487 1.00 0.00 N ATOM 726 CA ASP A 53 21.894 0.534 12.385 1.00 0.00 C ATOM 727 C ASP A 53 21.287 -0.822 12.072 1.00 0.00 C ATOM 728 O ASP A 53 21.926 -1.650 11.453 1.00 0.00 O ATOM 729 CB ASP A 53 21.565 1.509 11.248 1.00 0.00 C ATOM 730 CG ASP A 53 20.260 2.237 11.572 1.00 0.00 C ATOM 731 OD1 ASP A 53 20.224 2.836 12.635 1.00 0.00 O ATOM 732 OD2 ASP A 53 19.372 2.154 10.740 1.00 0.00 O ATOM 0 H ASP A 53 23.902 0.838 11.739 1.00 0.00 H new ATOM 0 HA ASP A 53 21.488 0.907 13.325 1.00 0.00 H new ATOM 0 HB2 ASP A 53 22.375 2.228 11.123 1.00 0.00 H new ATOM 0 HB3 ASP A 53 21.470 0.969 10.306 1.00 0.00 H new ATOM 737 N ILE A 54 20.071 -1.031 12.504 1.00 0.00 N ATOM 738 CA ILE A 54 19.416 -2.328 12.241 1.00 0.00 C ATOM 739 C ILE A 54 18.034 -2.172 11.626 1.00 0.00 C ATOM 740 O ILE A 54 17.487 -1.090 11.543 1.00 0.00 O ATOM 741 CB ILE A 54 19.261 -3.047 13.576 1.00 0.00 C ATOM 742 CG1 ILE A 54 19.257 -2.037 14.732 1.00 0.00 C ATOM 743 CG2 ILE A 54 20.454 -4.008 13.750 1.00 0.00 C ATOM 744 CD1 ILE A 54 18.496 -2.631 15.924 1.00 0.00 C ATOM 0 H ILE A 54 19.511 -0.356 13.025 1.00 0.00 H new ATOM 0 HA ILE A 54 20.033 -2.882 11.534 1.00 0.00 H new ATOM 0 HB ILE A 54 18.318 -3.594 13.587 1.00 0.00 H new ATOM 0 HG12 ILE A 54 20.280 -1.796 15.023 1.00 0.00 H new ATOM 0 HG13 ILE A 54 18.788 -1.106 14.414 1.00 0.00 H new ATOM 0 HG21 ILE A 54 20.362 -4.533 14.701 1.00 0.00 H new ATOM 0 HG22 ILE A 54 20.460 -4.731 12.935 1.00 0.00 H new ATOM 0 HG23 ILE A 54 21.384 -3.440 13.738 1.00 0.00 H new ATOM 0 HD11 ILE A 54 18.492 -1.915 16.746 1.00 0.00 H new ATOM 0 HD12 ILE A 54 17.470 -2.850 15.628 1.00 0.00 H new ATOM 0 HD13 ILE A 54 18.985 -3.551 16.246 1.00 0.00 H new ATOM 756 N THR A 55 17.515 -3.283 11.201 1.00 0.00 N ATOM 757 CA THR A 55 16.176 -3.306 10.578 1.00 0.00 C ATOM 758 C THR A 55 15.428 -4.550 11.062 1.00 0.00 C ATOM 759 O THR A 55 15.937 -5.274 11.897 1.00 0.00 O ATOM 760 CB THR A 55 16.361 -3.369 9.055 1.00 0.00 C ATOM 761 OG1 THR A 55 15.130 -3.828 8.533 1.00 0.00 O ATOM 762 CG2 THR A 55 17.372 -4.458 8.678 1.00 0.00 C ATOM 0 H THR A 55 17.973 -4.192 11.262 1.00 0.00 H new ATOM 0 HA THR A 55 15.605 -2.417 10.847 1.00 0.00 H new ATOM 0 HB THR A 55 16.686 -2.396 8.686 1.00 0.00 H new ATOM 0 HG1 THR A 55 15.117 -3.695 7.562 1.00 0.00 H new ATOM 0 HG21 THR A 55 17.489 -4.487 7.595 1.00 0.00 H new ATOM 0 HG22 THR A 55 18.334 -4.238 9.141 1.00 0.00 H new ATOM 0 HG23 THR A 55 17.013 -5.425 9.030 1.00 0.00 H new ATOM 770 N ASP A 56 14.247 -4.783 10.540 1.00 0.00 N ATOM 771 CA ASP A 56 13.469 -5.985 10.978 1.00 0.00 C ATOM 772 C ASP A 56 13.258 -6.991 9.841 1.00 0.00 C ATOM 773 O ASP A 56 12.288 -7.723 9.842 1.00 0.00 O ATOM 774 CB ASP A 56 12.095 -5.506 11.461 1.00 0.00 C ATOM 775 CG ASP A 56 12.270 -4.637 12.710 1.00 0.00 C ATOM 776 OD1 ASP A 56 12.872 -5.145 13.642 1.00 0.00 O ATOM 777 OD2 ASP A 56 11.793 -3.517 12.661 1.00 0.00 O ATOM 0 H ASP A 56 13.792 -4.200 9.837 1.00 0.00 H new ATOM 0 HA ASP A 56 14.032 -6.487 11.765 1.00 0.00 H new ATOM 0 HB2 ASP A 56 11.599 -4.937 10.675 1.00 0.00 H new ATOM 0 HB3 ASP A 56 11.458 -6.361 11.686 1.00 0.00 H new ATOM 782 N PHE A 57 14.161 -7.018 8.893 1.00 0.00 N ATOM 783 CA PHE A 57 13.987 -7.987 7.770 1.00 0.00 C ATOM 784 C PHE A 57 15.278 -8.211 6.962 1.00 0.00 C ATOM 785 O PHE A 57 15.330 -9.086 6.119 1.00 0.00 O ATOM 786 CB PHE A 57 12.895 -7.447 6.833 1.00 0.00 C ATOM 787 CG PHE A 57 13.326 -6.096 6.257 1.00 0.00 C ATOM 788 CD1 PHE A 57 13.119 -4.927 6.971 1.00 0.00 C ATOM 789 CD2 PHE A 57 13.906 -6.021 5.003 1.00 0.00 C ATOM 790 CE1 PHE A 57 13.489 -3.707 6.438 1.00 0.00 C ATOM 791 CE2 PHE A 57 14.273 -4.800 4.472 1.00 0.00 C ATOM 792 CZ PHE A 57 14.064 -3.646 5.191 1.00 0.00 C ATOM 0 H PHE A 57 14.991 -6.427 8.847 1.00 0.00 H new ATOM 0 HA PHE A 57 13.711 -8.950 8.201 1.00 0.00 H new ATOM 0 HB2 PHE A 57 12.714 -8.156 6.025 1.00 0.00 H new ATOM 0 HB3 PHE A 57 11.957 -7.338 7.378 1.00 0.00 H new ATOM 0 HD1 PHE A 57 12.666 -4.969 7.950 1.00 0.00 H new ATOM 0 HD2 PHE A 57 14.073 -6.924 4.435 1.00 0.00 H new ATOM 0 HE1 PHE A 57 13.326 -2.800 7.002 1.00 0.00 H new ATOM 0 HE2 PHE A 57 14.724 -4.751 3.492 1.00 0.00 H new ATOM 0 HZ PHE A 57 14.352 -2.692 4.775 1.00 0.00 H new ATOM 802 N CYS A 58 16.289 -7.428 7.225 1.00 0.00 N ATOM 803 CA CYS A 58 17.562 -7.595 6.481 1.00 0.00 C ATOM 804 C CYS A 58 17.369 -7.408 4.987 1.00 0.00 C ATOM 805 O CYS A 58 16.769 -8.225 4.319 1.00 0.00 O ATOM 806 CB CYS A 58 18.127 -9.004 6.735 1.00 0.00 C ATOM 807 SG CYS A 58 19.781 -9.106 7.444 1.00 0.00 S ATOM 0 H CYS A 58 16.285 -6.683 7.922 1.00 0.00 H new ATOM 0 HA CYS A 58 18.255 -6.833 6.837 1.00 0.00 H new ATOM 0 HB2 CYS A 58 17.441 -9.530 7.399 1.00 0.00 H new ATOM 0 HB3 CYS A 58 18.130 -9.544 5.788 1.00 0.00 H new ATOM 812 N TYR A 59 17.873 -6.315 4.505 1.00 0.00 N ATOM 813 CA TYR A 59 17.755 -6.010 3.056 1.00 0.00 C ATOM 814 C TYR A 59 18.190 -7.210 2.205 1.00 0.00 C ATOM 815 O TYR A 59 18.500 -8.263 2.725 1.00 0.00 O ATOM 816 CB TYR A 59 18.681 -4.818 2.728 1.00 0.00 C ATOM 817 CG TYR A 59 18.640 -3.781 3.867 1.00 0.00 C ATOM 818 CD1 TYR A 59 19.330 -3.987 5.051 1.00 0.00 C ATOM 819 CD2 TYR A 59 17.924 -2.616 3.716 1.00 0.00 C ATOM 820 CE1 TYR A 59 19.298 -3.037 6.054 1.00 0.00 C ATOM 821 CE2 TYR A 59 17.894 -1.671 4.717 1.00 0.00 C ATOM 822 CZ TYR A 59 18.580 -1.874 5.893 1.00 0.00 C ATOM 823 OH TYR A 59 18.549 -0.927 6.894 1.00 0.00 O ATOM 0 H TYR A 59 18.366 -5.612 5.055 1.00 0.00 H new ATOM 0 HA TYR A 59 16.714 -5.777 2.831 1.00 0.00 H new ATOM 0 HB2 TYR A 59 19.702 -5.171 2.584 1.00 0.00 H new ATOM 0 HB3 TYR A 59 18.370 -4.353 1.792 1.00 0.00 H new ATOM 0 HD1 TYR A 59 19.896 -4.896 5.191 1.00 0.00 H new ATOM 0 HD2 TYR A 59 17.378 -2.440 2.801 1.00 0.00 H new ATOM 0 HE1 TYR A 59 19.841 -3.209 6.972 1.00 0.00 H new ATOM 0 HE2 TYR A 59 17.327 -0.762 4.578 1.00 0.00 H new ATOM 0 HH TYR A 59 19.387 -0.959 7.401 1.00 0.00 H new ATOM 833 N GLU A 60 18.216 -7.021 0.906 1.00 0.00 N ATOM 834 CA GLU A 60 18.627 -8.139 0.008 1.00 0.00 C ATOM 835 C GLU A 60 20.133 -8.031 -0.341 1.00 0.00 C ATOM 836 O GLU A 60 20.694 -6.953 -0.303 1.00 0.00 O ATOM 837 CB GLU A 60 17.808 -8.018 -1.306 1.00 0.00 C ATOM 838 CG GLU A 60 16.440 -8.716 -1.166 1.00 0.00 C ATOM 839 CD GLU A 60 15.960 -9.157 -2.551 1.00 0.00 C ATOM 840 OE1 GLU A 60 15.763 -8.271 -3.366 1.00 0.00 O ATOM 841 OE2 GLU A 60 15.820 -10.358 -2.716 1.00 0.00 O ATOM 0 H GLU A 60 17.972 -6.149 0.436 1.00 0.00 H new ATOM 0 HA GLU A 60 18.448 -9.092 0.506 1.00 0.00 H new ATOM 0 HB2 GLU A 60 17.661 -6.966 -1.552 1.00 0.00 H new ATOM 0 HB3 GLU A 60 18.366 -8.464 -2.130 1.00 0.00 H new ATOM 0 HG2 GLU A 60 16.524 -9.578 -0.505 1.00 0.00 H new ATOM 0 HG3 GLU A 60 15.716 -8.037 -0.715 1.00 0.00 H new ATOM 848 N PRO A 61 20.769 -9.160 -0.679 1.00 0.00 N ATOM 849 CA PRO A 61 22.195 -9.154 -1.026 1.00 0.00 C ATOM 850 C PRO A 61 22.469 -8.239 -2.216 1.00 0.00 C ATOM 851 O PRO A 61 21.643 -8.101 -3.098 1.00 0.00 O ATOM 852 CB PRO A 61 22.518 -10.611 -1.413 1.00 0.00 C ATOM 853 CG PRO A 61 21.199 -11.427 -1.306 1.00 0.00 C ATOM 854 CD PRO A 61 20.124 -10.489 -0.737 1.00 0.00 C ATOM 0 HA PRO A 61 22.802 -8.790 -0.198 1.00 0.00 H new ATOM 0 HB2 PRO A 61 22.917 -10.659 -2.426 1.00 0.00 H new ATOM 0 HB3 PRO A 61 23.279 -11.024 -0.751 1.00 0.00 H new ATOM 0 HG2 PRO A 61 20.901 -11.804 -2.284 1.00 0.00 H new ATOM 0 HG3 PRO A 61 21.335 -12.293 -0.658 1.00 0.00 H new ATOM 0 HD2 PRO A 61 19.239 -10.471 -1.373 1.00 0.00 H new ATOM 0 HD3 PRO A 61 19.800 -10.814 0.252 1.00 0.00 H new ATOM 862 N CYS A 62 23.627 -7.639 -2.214 1.00 0.00 N ATOM 863 CA CYS A 62 24.001 -6.722 -3.326 1.00 0.00 C ATOM 864 C CYS A 62 25.235 -7.218 -4.038 1.00 0.00 C ATOM 865 O CYS A 62 25.617 -8.363 -3.912 1.00 0.00 O ATOM 866 CB CYS A 62 24.343 -5.352 -2.723 1.00 0.00 C ATOM 867 SG CYS A 62 23.902 -3.876 -3.656 1.00 0.00 S ATOM 0 H CYS A 62 24.334 -7.745 -1.486 1.00 0.00 H new ATOM 0 HA CYS A 62 23.170 -6.667 -4.029 1.00 0.00 H new ATOM 0 HB2 CYS A 62 23.858 -5.287 -1.749 1.00 0.00 H new ATOM 0 HB3 CYS A 62 25.418 -5.325 -2.547 1.00 0.00 H new ATOM 872 N LYS A 63 25.836 -6.321 -4.760 1.00 0.00 N ATOM 873 CA LYS A 63 27.068 -6.665 -5.519 1.00 0.00 C ATOM 874 C LYS A 63 27.054 -8.122 -6.019 1.00 0.00 C ATOM 875 O LYS A 63 27.526 -9.003 -5.329 1.00 0.00 O ATOM 876 CB LYS A 63 28.257 -6.512 -4.560 1.00 0.00 C ATOM 877 CG LYS A 63 29.538 -6.960 -5.275 1.00 0.00 C ATOM 878 CD LYS A 63 30.748 -6.256 -4.650 1.00 0.00 C ATOM 879 CE LYS A 63 31.954 -7.201 -4.683 1.00 0.00 C ATOM 880 NZ LYS A 63 33.153 -6.534 -4.104 1.00 0.00 N ATOM 0 H LYS A 63 25.525 -5.355 -4.859 1.00 0.00 H new ATOM 0 HA LYS A 63 27.135 -6.007 -6.386 1.00 0.00 H new ATOM 0 HB2 LYS A 63 28.349 -5.475 -4.238 1.00 0.00 H new ATOM 0 HB3 LYS A 63 28.097 -7.111 -3.664 1.00 0.00 H new ATOM 0 HG2 LYS A 63 29.652 -8.041 -5.195 1.00 0.00 H new ATOM 0 HG3 LYS A 63 29.475 -6.724 -6.337 1.00 0.00 H new ATOM 0 HD2 LYS A 63 30.973 -5.340 -5.197 1.00 0.00 H new ATOM 0 HD3 LYS A 63 30.525 -5.967 -3.623 1.00 0.00 H new ATOM 0 HE2 LYS A 63 31.729 -8.108 -4.122 1.00 0.00 H new ATOM 0 HE3 LYS A 63 32.159 -7.504 -5.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 33.962 -7.187 -4.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 33.376 -5.681 -4.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 32.959 -6.267 -3.118 1.00 0.00 H new ATOM 894 N PRO A 64 26.505 -8.369 -7.203 1.00 0.00 N ATOM 895 CA PRO A 64 26.467 -9.729 -7.723 1.00 0.00 C ATOM 896 C PRO A 64 27.886 -10.240 -7.929 1.00 0.00 C ATOM 897 O PRO A 64 28.836 -9.509 -7.732 1.00 0.00 O ATOM 898 CB PRO A 64 25.736 -9.625 -9.077 1.00 0.00 C ATOM 899 CG PRO A 64 25.313 -8.140 -9.261 1.00 0.00 C ATOM 900 CD PRO A 64 25.896 -7.347 -8.079 1.00 0.00 C ATOM 0 HA PRO A 64 25.966 -10.418 -7.043 1.00 0.00 H new ATOM 0 HB2 PRO A 64 26.388 -9.943 -9.891 1.00 0.00 H new ATOM 0 HB3 PRO A 64 24.863 -10.278 -9.094 1.00 0.00 H new ATOM 0 HG2 PRO A 64 25.686 -7.749 -10.207 1.00 0.00 H new ATOM 0 HG3 PRO A 64 24.227 -8.050 -9.285 1.00 0.00 H new ATOM 0 HD2 PRO A 64 26.637 -6.622 -8.416 1.00 0.00 H new ATOM 0 HD3 PRO A 64 25.120 -6.789 -7.556 1.00 0.00 H new ATOM 908 N SER A 65 28.016 -11.473 -8.315 1.00 0.00 N ATOM 909 CA SER A 65 29.379 -12.009 -8.526 1.00 0.00 C ATOM 910 C SER A 65 30.253 -11.711 -7.312 1.00 0.00 C ATOM 911 O SER A 65 31.044 -10.789 -7.322 1.00 0.00 O ATOM 912 CB SER A 65 29.983 -11.315 -9.751 1.00 0.00 C ATOM 913 OG SER A 65 28.942 -11.347 -10.719 1.00 0.00 O ATOM 0 H SER A 65 27.250 -12.123 -8.491 1.00 0.00 H new ATOM 0 HA SER A 65 29.330 -13.088 -8.674 1.00 0.00 H new ATOM 0 HB2 SER A 65 30.282 -10.292 -9.522 1.00 0.00 H new ATOM 0 HB3 SER A 65 30.873 -11.836 -10.105 1.00 0.00 H new ATOM 0 HG SER A 65 29.249 -10.916 -11.544 1.00 0.00 H new ATOM 919 N GLU A 66 30.089 -12.501 -6.292 1.00 0.00 N ATOM 920 CA GLU A 66 30.894 -12.291 -5.059 1.00 0.00 C ATOM 921 C GLU A 66 32.334 -12.752 -5.258 1.00 0.00 C ATOM 922 O GLU A 66 32.585 -13.901 -5.563 1.00 0.00 O ATOM 923 CB GLU A 66 30.251 -13.120 -3.927 1.00 0.00 C ATOM 924 CG GLU A 66 31.060 -12.963 -2.629 1.00 0.00 C ATOM 925 CD GLU A 66 31.147 -11.483 -2.248 1.00 0.00 C ATOM 926 OE1 GLU A 66 30.087 -10.909 -2.061 1.00 0.00 O ATOM 927 OE2 GLU A 66 32.270 -11.011 -2.166 1.00 0.00 O ATOM 0 H GLU A 66 29.434 -13.282 -6.258 1.00 0.00 H new ATOM 0 HA GLU A 66 30.909 -11.229 -4.814 1.00 0.00 H new ATOM 0 HB2 GLU A 66 29.224 -12.793 -3.766 1.00 0.00 H new ATOM 0 HB3 GLU A 66 30.210 -14.171 -4.214 1.00 0.00 H new ATOM 0 HG2 GLU A 66 30.588 -13.528 -1.825 1.00 0.00 H new ATOM 0 HG3 GLU A 66 32.061 -13.373 -2.762 1.00 0.00 H new ATOM 934 N ASP A 67 33.253 -11.840 -5.075 1.00 0.00 N ATOM 935 CA ASP A 67 34.683 -12.196 -5.245 1.00 0.00 C ATOM 936 C ASP A 67 35.334 -12.453 -3.891 1.00 0.00 C ATOM 937 O ASP A 67 35.447 -11.560 -3.078 1.00 0.00 O ATOM 938 CB ASP A 67 35.400 -11.014 -5.914 1.00 0.00 C ATOM 939 CG ASP A 67 35.589 -11.311 -7.403 1.00 0.00 C ATOM 940 OD1 ASP A 67 34.571 -11.455 -8.059 1.00 0.00 O ATOM 941 OD2 ASP A 67 36.741 -11.378 -7.799 1.00 0.00 O ATOM 0 H ASP A 67 33.072 -10.870 -4.817 1.00 0.00 H new ATOM 0 HA ASP A 67 34.758 -13.097 -5.853 1.00 0.00 H new ATOM 0 HB2 ASP A 67 34.818 -10.101 -5.785 1.00 0.00 H new ATOM 0 HB3 ASP A 67 36.367 -10.845 -5.440 1.00 0.00 H new ATOM 946 N ASP A 68 35.746 -13.670 -3.668 1.00 0.00 N ATOM 947 CA ASP A 68 36.389 -13.986 -2.369 1.00 0.00 C ATOM 948 C ASP A 68 37.668 -13.176 -2.204 1.00 0.00 C ATOM 949 O ASP A 68 37.682 -11.981 -2.427 1.00 0.00 O ATOM 950 CB ASP A 68 36.746 -15.481 -2.354 1.00 0.00 C ATOM 951 CG ASP A 68 37.043 -15.918 -0.918 1.00 0.00 C ATOM 952 OD1 ASP A 68 36.182 -15.675 -0.087 1.00 0.00 O ATOM 953 OD2 ASP A 68 38.115 -16.472 -0.731 1.00 0.00 O ATOM 0 H ASP A 68 35.666 -14.449 -4.322 1.00 0.00 H new ATOM 0 HA ASP A 68 35.704 -13.742 -1.557 1.00 0.00 H new ATOM 0 HB2 ASP A 68 35.922 -16.067 -2.761 1.00 0.00 H new ATOM 0 HB3 ASP A 68 37.613 -15.666 -2.989 1.00 0.00 H new ATOM 958 N LYS A 69 38.720 -13.840 -1.815 1.00 0.00 N ATOM 959 CA LYS A 69 40.006 -13.125 -1.629 1.00 0.00 C ATOM 960 C LYS A 69 40.774 -13.089 -2.946 1.00 0.00 C ATOM 961 O LYS A 69 40.365 -12.432 -3.882 1.00 0.00 O ATOM 962 CB LYS A 69 40.831 -13.886 -0.576 1.00 0.00 C ATOM 963 CG LYS A 69 40.000 -14.014 0.705 1.00 0.00 C ATOM 964 CD LYS A 69 40.921 -14.344 1.881 1.00 0.00 C ATOM 965 CE LYS A 69 40.094 -14.995 2.994 1.00 0.00 C ATOM 966 NZ LYS A 69 40.828 -14.951 4.289 1.00 0.00 N ATOM 0 H LYS A 69 38.742 -14.841 -1.620 1.00 0.00 H new ATOM 0 HA LYS A 69 39.821 -12.102 -1.302 1.00 0.00 H new ATOM 0 HB2 LYS A 69 41.102 -14.873 -0.950 1.00 0.00 H new ATOM 0 HB3 LYS A 69 41.761 -13.357 -0.371 1.00 0.00 H new ATOM 0 HG2 LYS A 69 39.465 -13.084 0.898 1.00 0.00 H new ATOM 0 HG3 LYS A 69 39.249 -14.795 0.587 1.00 0.00 H new ATOM 0 HD2 LYS A 69 41.716 -15.017 1.560 1.00 0.00 H new ATOM 0 HD3 LYS A 69 41.401 -13.437 2.250 1.00 0.00 H new ATOM 0 HE2 LYS A 69 39.139 -14.479 3.094 1.00 0.00 H new ATOM 0 HE3 LYS A 69 39.872 -16.029 2.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 40.251 -15.397 5.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 41.728 -15.464 4.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 41.018 -13.962 4.547 1.00 0.00 H new ATOM 980 N GLU A 70 41.872 -13.788 -3.001 1.00 0.00 N ATOM 981 CA GLU A 70 42.659 -13.794 -4.256 1.00 0.00 C ATOM 982 C GLU A 70 42.105 -14.843 -5.215 1.00 0.00 C ATOM 983 O GLU A 70 41.164 -15.540 -4.890 1.00 0.00 O ATOM 984 CB GLU A 70 44.118 -14.146 -3.918 1.00 0.00 C ATOM 985 CG GLU A 70 44.931 -12.855 -3.778 1.00 0.00 C ATOM 986 CD GLU A 70 45.389 -12.399 -5.163 1.00 0.00 C ATOM 987 OE1 GLU A 70 46.038 -13.205 -5.812 1.00 0.00 O ATOM 988 OE2 GLU A 70 45.068 -11.272 -5.495 1.00 0.00 O ATOM 0 H GLU A 70 42.253 -14.349 -2.239 1.00 0.00 H new ATOM 0 HA GLU A 70 42.601 -12.813 -4.727 1.00 0.00 H new ATOM 0 HB2 GLU A 70 44.161 -14.719 -2.991 1.00 0.00 H new ATOM 0 HB3 GLU A 70 44.543 -14.774 -4.701 1.00 0.00 H new ATOM 0 HG2 GLU A 70 44.327 -12.079 -3.308 1.00 0.00 H new ATOM 0 HG3 GLU A 70 45.794 -13.022 -3.133 1.00 0.00 H new ATOM 995 N ASN A 71 42.700 -14.937 -6.379 1.00 0.00 N ATOM 996 CA ASN A 71 42.221 -15.938 -7.375 1.00 0.00 C ATOM 997 C ASN A 71 43.199 -17.099 -7.497 1.00 0.00 C ATOM 998 O ASN A 71 42.791 -18.091 -8.079 1.00 0.00 O ATOM 999 CB ASN A 71 42.111 -15.249 -8.739 1.00 0.00 C ATOM 1000 CG ASN A 71 41.226 -16.097 -9.657 1.00 0.00 C ATOM 1001 OD1 ASN A 71 40.131 -16.482 -9.297 1.00 0.00 O ATOM 1002 ND2 ASN A 71 41.662 -16.412 -10.846 1.00 0.00 N ATOM 1003 OXT ASN A 71 44.302 -16.932 -7.004 1.00 0.00 O ATOM 0 H ASN A 71 43.491 -14.367 -6.679 1.00 0.00 H new ATOM 0 HA ASN A 71 41.256 -16.326 -7.048 1.00 0.00 H new ATOM 0 HB2 ASN A 71 41.687 -14.252 -8.624 1.00 0.00 H new ATOM 0 HB3 ASN A 71 43.101 -15.126 -9.179 1.00 0.00 H new ATOM 0 HD21 ASN A 71 41.085 -16.978 -11.467 1.00 0.00 H new ATOM 0 HD22 ASN A 71 42.580 -16.092 -11.154 1.00 0.00 H new TER 1010 ASN A 71