USER MOD reduce.3.24.130724 H: found=0, std=0, add=383, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 389 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 4 GLN : amide:sc= 0.0361 X(o=0.075,f=0) USER MOD Set 1.2: B 10 HIS : no HE2:sc= 0.0388 X(o=0.075,f=-0.4) USER MOD Set 2.1: A 1 GLY N :NH3+ -141:sc= 0.911 (180deg=-0.524) USER MOD Set 2.2: A 5 GLN : amide:sc= 0.51 K(o=1.4,f=-2.3) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot -170:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=-0.043) USER MOD Single : A 18 ASN : amide:sc= 0.609 K(o=0.61,f=0) USER MOD Single : A 19 TYR OH : rot 14:sc= 0.719 USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 1 PHE N :NH3+ -97:sc= 0.0936 (180deg=0) USER MOD Single : B 3 ASN : amide:sc= -0.0372 X(o=-0.037,f=-0.072) USER MOD Single : B 5 HIS : no HD1:sc= -3.34! C(o=-3.3!,f=-6.6!) USER MOD Single : B 9 SER OG : rot 180:sc= 0.217 USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot 180:sc= -0.0832 USER MOD Single : B 27 THR OG1 : rot 180:sc= 0 USER MOD Single : B 29 LYS NZ :NH3+ -135:sc= -0.24 (180deg=-1.69!) USER MOD Single : B 30 THR OG1 : rot 180:sc= 0.0537 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 3.655 -0.041 -1.320 1.00 25.00 N ATOM 2 CA GLY A 1 3.439 1.424 -1.574 1.00 25.00 C ATOM 3 C GLY A 1 2.687 1.655 -2.860 1.00 25.00 C ATOM 4 O GLY A 1 2.654 0.769 -3.683 1.00 25.00 O ATOM 0 H1 GLY A 1 3.536 -0.239 -0.306 1.00 25.00 H new ATOM 0 H2 GLY A 1 2.962 -0.594 -1.864 1.00 25.00 H new ATOM 0 H3 GLY A 1 4.617 -0.306 -1.614 1.00 25.00 H new ATOM 0 HA2 GLY A 1 2.885 1.861 -0.743 1.00 25.00 H new ATOM 0 HA3 GLY A 1 4.402 1.933 -1.617 1.00 25.00 H new ATOM 10 N ILE A 2 2.064 2.811 -3.052 1.00 25.00 N ATOM 11 CA ILE A 2 1.192 2.999 -4.222 1.00 25.00 C ATOM 12 C ILE A 2 1.919 2.788 -5.573 1.00 25.00 C ATOM 13 O ILE A 2 1.417 2.072 -6.438 1.00 25.00 O ATOM 14 CB ILE A 2 0.432 4.375 -4.137 1.00 25.00 C ATOM 15 CG1 ILE A 2 -0.790 4.351 -5.075 1.00 25.00 C ATOM 16 CG2 ILE A 2 1.382 5.583 -4.403 1.00 25.00 C ATOM 17 CD1 ILE A 2 -1.707 5.587 -4.974 1.00 25.00 C ATOM 0 H ILE A 2 2.138 3.619 -2.434 1.00 25.00 H new ATOM 0 HA ILE A 2 0.442 2.209 -4.192 1.00 25.00 H new ATOM 0 HB ILE A 2 0.067 4.516 -3.119 1.00 25.00 H new ATOM 0 HG12 ILE A 2 -0.440 4.259 -6.103 1.00 25.00 H new ATOM 0 HG13 ILE A 2 -1.379 3.460 -4.858 1.00 25.00 H new ATOM 0 HG21 ILE A 2 0.817 6.512 -4.335 1.00 25.00 H new ATOM 0 HG22 ILE A 2 2.180 5.588 -3.661 1.00 25.00 H new ATOM 0 HG23 ILE A 2 1.814 5.494 -5.400 1.00 25.00 H new ATOM 0 HD11 ILE A 2 -2.539 5.481 -5.670 1.00 25.00 H new ATOM 0 HD12 ILE A 2 -2.093 5.672 -3.958 1.00 25.00 H new ATOM 0 HD13 ILE A 2 -1.138 6.483 -5.222 1.00 25.00 H new ATOM 29 N VAL A 3 3.133 3.312 -5.722 1.00 25.00 N ATOM 30 CA VAL A 3 3.906 3.110 -6.957 1.00 25.00 C ATOM 31 C VAL A 3 4.333 1.646 -7.097 1.00 25.00 C ATOM 32 O VAL A 3 4.373 1.102 -8.192 1.00 25.00 O ATOM 33 CB VAL A 3 5.149 4.075 -7.017 1.00 25.00 C ATOM 34 CG1 VAL A 3 6.062 3.918 -5.778 1.00 25.00 C ATOM 35 CG2 VAL A 3 5.965 3.851 -8.303 1.00 25.00 C ATOM 0 H VAL A 3 3.604 3.875 -5.014 1.00 25.00 H new ATOM 0 HA VAL A 3 3.261 3.355 -7.801 1.00 25.00 H new ATOM 0 HB VAL A 3 4.757 5.092 -7.021 1.00 25.00 H new ATOM 0 HG11 VAL A 3 6.907 4.602 -5.860 1.00 25.00 H new ATOM 0 HG12 VAL A 3 5.495 4.149 -4.876 1.00 25.00 H new ATOM 0 HG13 VAL A 3 6.429 2.893 -5.724 1.00 25.00 H new ATOM 0 HG21 VAL A 3 6.817 4.531 -8.317 1.00 25.00 H new ATOM 0 HG22 VAL A 3 6.322 2.822 -8.333 1.00 25.00 H new ATOM 0 HG23 VAL A 3 5.335 4.041 -9.172 1.00 25.00 H new ATOM 45 N GLU A 4 4.605 0.997 -5.976 1.00 25.00 N ATOM 46 CA GLU A 4 5.019 -0.401 -5.980 1.00 25.00 C ATOM 47 C GLU A 4 3.886 -1.278 -6.496 1.00 25.00 C ATOM 48 O GLU A 4 4.105 -2.154 -7.319 1.00 25.00 O ATOM 49 CB GLU A 4 5.401 -0.824 -4.561 1.00 25.00 C ATOM 50 CG GLU A 4 5.984 -2.220 -4.427 1.00 25.00 C ATOM 51 CD GLU A 4 6.209 -2.601 -2.992 1.00 25.00 C ATOM 52 OE1 GLU A 4 5.867 -1.910 -2.056 1.00 25.00 O ATOM 53 OE2 GLU A 4 6.803 -3.728 -2.845 1.00 25.00 O ATOM 0 H GLU A 4 4.547 1.416 -5.048 1.00 25.00 H new ATOM 0 HA GLU A 4 5.881 -0.519 -6.636 1.00 25.00 H new ATOM 0 HB2 GLU A 4 6.124 -0.108 -4.170 1.00 25.00 H new ATOM 0 HB3 GLU A 4 4.514 -0.758 -3.930 1.00 25.00 H new ATOM 0 HG2 GLU A 4 5.311 -2.940 -4.892 1.00 25.00 H new ATOM 0 HG3 GLU A 4 6.929 -2.272 -4.968 1.00 25.00 H new ATOM 61 N GLN A 5 2.672 -1.022 -6.029 1.00 25.00 N ATOM 62 CA GLN A 5 1.519 -1.808 -6.450 1.00 25.00 C ATOM 63 C GLN A 5 1.222 -1.609 -7.936 1.00 25.00 C ATOM 64 O GLN A 5 0.897 -2.563 -8.632 1.00 25.00 O ATOM 65 CB GLN A 5 0.288 -1.446 -5.612 1.00 25.00 C ATOM 66 CG GLN A 5 0.017 -2.427 -4.460 1.00 25.00 C ATOM 67 CD GLN A 5 0.451 -1.903 -3.099 1.00 25.00 C ATOM 68 OE1 GLN A 5 1.634 -1.726 -2.823 1.00 25.00 O ATOM 69 NE2 GLN A 5 -0.506 -1.673 -2.239 1.00 25.00 N ATOM 0 H GLN A 5 2.460 -0.280 -5.362 1.00 25.00 H new ATOM 0 HA GLN A 5 1.759 -2.859 -6.291 1.00 25.00 H new ATOM 0 HB2 GLN A 5 0.420 -0.445 -5.202 1.00 25.00 H new ATOM 0 HB3 GLN A 5 -0.586 -1.412 -6.262 1.00 25.00 H new ATOM 0 HG2 GLN A 5 -1.049 -2.653 -4.430 1.00 25.00 H new ATOM 0 HG3 GLN A 5 0.536 -3.364 -4.662 1.00 25.00 H new ATOM 0 HE21 GLN A 5 -1.478 -1.831 -2.503 1.00 25.00 H new ATOM 0 HE22 GLN A 5 -0.281 -1.335 -1.303 1.00 25.00 H new ATOM 78 N CYS A 6 1.378 -0.390 -8.437 1.00 25.00 N ATOM 79 CA CYS A 6 1.139 -0.125 -9.860 1.00 25.00 C ATOM 80 C CYS A 6 2.253 -0.678 -10.742 1.00 25.00 C ATOM 81 O CYS A 6 2.077 -0.837 -11.949 1.00 25.00 O ATOM 82 CB CYS A 6 0.997 1.379 -10.113 1.00 25.00 C ATOM 83 SG CYS A 6 -0.407 2.159 -9.245 1.00 25.00 S ATOM 0 H CYS A 6 1.665 0.424 -7.893 1.00 25.00 H new ATOM 0 HA CYS A 6 0.211 -0.633 -10.122 1.00 25.00 H new ATOM 0 HB2 CYS A 6 1.918 1.875 -9.808 1.00 25.00 H new ATOM 0 HB3 CYS A 6 0.885 1.546 -11.184 1.00 25.00 H new ATOM 88 N CYS A 7 3.392 -0.973 -10.134 1.00 25.00 N ATOM 89 CA CYS A 7 4.523 -1.533 -10.857 1.00 25.00 C ATOM 90 C CYS A 7 4.449 -3.062 -10.895 1.00 25.00 C ATOM 91 O CYS A 7 4.551 -3.662 -11.957 1.00 25.00 O ATOM 92 CB CYS A 7 5.833 -1.084 -10.202 1.00 25.00 C ATOM 93 SG CYS A 7 7.341 -1.759 -10.980 1.00 25.00 S ATOM 0 H CYS A 7 3.558 -0.833 -9.137 1.00 25.00 H new ATOM 0 HA CYS A 7 4.490 -1.168 -11.883 1.00 25.00 H new ATOM 0 HB2 CYS A 7 5.883 0.005 -10.228 1.00 25.00 H new ATOM 0 HB3 CYS A 7 5.819 -1.378 -9.152 1.00 25.00 H new ATOM 98 N THR A 8 4.275 -3.692 -9.741 1.00 25.00 N ATOM 99 CA THR A 8 4.261 -5.158 -9.676 1.00 25.00 C ATOM 100 C THR A 8 2.942 -5.735 -10.187 1.00 25.00 C ATOM 101 O THR A 8 2.890 -6.875 -10.640 1.00 25.00 O ATOM 102 CB THR A 8 4.549 -5.674 -8.234 1.00 25.00 C ATOM 103 OG1 THR A 8 4.859 -7.067 -8.280 1.00 25.00 O ATOM 104 CG2 THR A 8 3.367 -5.481 -7.297 1.00 25.00 C ATOM 0 H THR A 8 4.143 -3.224 -8.845 1.00 25.00 H new ATOM 0 HA THR A 8 5.061 -5.505 -10.330 1.00 25.00 H new ATOM 0 HB THR A 8 5.387 -5.092 -7.850 1.00 25.00 H new ATOM 0 HG1 THR A 8 5.042 -7.392 -7.374 1.00 25.00 H new ATOM 0 HG21 THR A 8 3.623 -5.858 -6.307 1.00 25.00 H new ATOM 0 HG22 THR A 8 3.125 -4.420 -7.230 1.00 25.00 H new ATOM 0 HG23 THR A 8 2.505 -6.026 -7.681 1.00 25.00 H new ATOM 112 N SER A 9 1.886 -4.936 -10.147 1.00 25.00 N ATOM 113 CA SER A 9 0.580 -5.359 -10.627 1.00 25.00 C ATOM 114 C SER A 9 -0.009 -4.223 -11.442 1.00 25.00 C ATOM 115 O SER A 9 0.727 -3.351 -11.870 1.00 25.00 O ATOM 116 CB SER A 9 -0.334 -5.742 -9.457 1.00 25.00 C ATOM 117 OG SER A 9 0.240 -6.794 -8.704 1.00 25.00 O ATOM 0 H SER A 9 1.910 -3.983 -9.784 1.00 25.00 H new ATOM 0 HA SER A 9 0.677 -6.247 -11.252 1.00 25.00 H new ATOM 0 HB2 SER A 9 -0.497 -4.875 -8.816 1.00 25.00 H new ATOM 0 HB3 SER A 9 -1.310 -6.047 -9.835 1.00 25.00 H new ATOM 0 HG SER A 9 -0.354 -7.026 -7.960 1.00 25.00 H new ATOM 123 N ILE A 10 -1.283 -4.300 -11.794 1.00 25.00 N ATOM 124 CA ILE A 10 -1.854 -3.354 -12.750 1.00 25.00 C ATOM 125 C ILE A 10 -2.834 -2.405 -12.084 1.00 25.00 C ATOM 126 O ILE A 10 -3.920 -2.801 -11.666 1.00 25.00 O ATOM 127 CB ILE A 10 -2.544 -4.092 -13.921 1.00 25.00 C ATOM 128 CG1 ILE A 10 -1.518 -5.050 -14.556 1.00 25.00 C ATOM 129 CG2 ILE A 10 -3.078 -3.075 -14.958 1.00 25.00 C ATOM 130 CD1 ILE A 10 -1.958 -5.790 -15.778 1.00 25.00 C ATOM 0 H ILE A 10 -1.937 -4.997 -11.439 1.00 25.00 H new ATOM 0 HA ILE A 10 -1.027 -2.765 -13.146 1.00 25.00 H new ATOM 0 HB ILE A 10 -3.399 -4.663 -13.559 1.00 25.00 H new ATOM 0 HG12 ILE A 10 -0.627 -4.476 -14.808 1.00 25.00 H new ATOM 0 HG13 ILE A 10 -1.223 -5.781 -13.803 1.00 25.00 H new ATOM 0 HG21 ILE A 10 -3.561 -3.609 -15.776 1.00 25.00 H new ATOM 0 HG22 ILE A 10 -3.801 -2.413 -14.480 1.00 25.00 H new ATOM 0 HG23 ILE A 10 -2.249 -2.485 -15.349 1.00 25.00 H new ATOM 0 HD11 ILE A 10 -1.148 -6.430 -16.128 1.00 25.00 H new ATOM 0 HD12 ILE A 10 -2.827 -6.403 -15.539 1.00 25.00 H new ATOM 0 HD13 ILE A 10 -2.221 -5.078 -16.560 1.00 25.00 H new ATOM 142 N CYS A 11 -2.468 -1.135 -12.036 1.00 25.00 N ATOM 143 CA CYS A 11 -3.387 -0.105 -11.585 1.00 25.00 C ATOM 144 C CYS A 11 -4.251 0.282 -12.778 1.00 25.00 C ATOM 145 O CYS A 11 -3.745 0.722 -13.811 1.00 25.00 O ATOM 146 CB CYS A 11 -2.629 1.112 -11.058 1.00 25.00 C ATOM 147 SG CYS A 11 -1.928 0.821 -9.402 1.00 25.00 S ATOM 0 H CYS A 11 -1.544 -0.794 -12.303 1.00 25.00 H new ATOM 0 HA CYS A 11 -4.001 -0.479 -10.766 1.00 25.00 H new ATOM 0 HB2 CYS A 11 -1.827 1.366 -11.751 1.00 25.00 H new ATOM 0 HB3 CYS A 11 -3.302 1.969 -11.021 1.00 25.00 H new ATOM 152 N SER A 12 -5.554 0.104 -12.634 1.00 25.00 N ATOM 153 CA SER A 12 -6.505 0.508 -13.662 1.00 25.00 C ATOM 154 C SER A 12 -6.562 2.027 -13.630 1.00 25.00 C ATOM 155 O SER A 12 -6.081 2.637 -12.684 1.00 25.00 O ATOM 156 CB SER A 12 -7.880 -0.078 -13.349 1.00 25.00 C ATOM 157 OG SER A 12 -8.308 0.341 -12.063 1.00 25.00 O ATOM 0 H SER A 12 -5.981 -0.320 -11.811 1.00 25.00 H new ATOM 0 HA SER A 12 -6.203 0.151 -14.647 1.00 25.00 H new ATOM 0 HB2 SER A 12 -8.600 0.242 -14.102 1.00 25.00 H new ATOM 0 HB3 SER A 12 -7.838 -1.166 -13.390 1.00 25.00 H new ATOM 0 HG SER A 12 -9.110 -0.160 -11.806 1.00 25.00 H new ATOM 163 N LEU A 13 -7.179 2.649 -14.626 1.00 25.00 N ATOM 164 CA LEU A 13 -7.268 4.112 -14.654 1.00 25.00 C ATOM 165 C LEU A 13 -7.955 4.659 -13.398 1.00 25.00 C ATOM 166 O LEU A 13 -7.616 5.727 -12.926 1.00 25.00 O ATOM 167 CB LEU A 13 -7.977 4.587 -15.931 1.00 25.00 C ATOM 168 CG LEU A 13 -9.488 4.317 -16.062 1.00 25.00 C ATOM 169 CD1 LEU A 13 -10.302 5.532 -15.616 1.00 25.00 C ATOM 170 CD2 LEU A 13 -9.832 3.968 -17.504 1.00 25.00 C ATOM 0 H LEU A 13 -7.620 2.177 -15.415 1.00 25.00 H new ATOM 0 HA LEU A 13 -6.253 4.509 -14.663 1.00 25.00 H new ATOM 0 HB2 LEU A 13 -7.821 5.662 -16.019 1.00 25.00 H new ATOM 0 HB3 LEU A 13 -7.480 4.122 -16.782 1.00 25.00 H new ATOM 0 HG LEU A 13 -9.740 3.477 -15.415 1.00 25.00 H new ATOM 0 HD11 LEU A 13 -11.365 5.315 -15.718 1.00 25.00 H new ATOM 0 HD12 LEU A 13 -10.077 5.758 -14.574 1.00 25.00 H new ATOM 0 HD13 LEU A 13 -10.045 6.390 -16.237 1.00 25.00 H new ATOM 0 HD21 LEU A 13 -10.902 3.779 -17.587 1.00 25.00 H new ATOM 0 HD22 LEU A 13 -9.559 4.799 -18.155 1.00 25.00 H new ATOM 0 HD23 LEU A 13 -9.281 3.076 -17.804 1.00 25.00 H new ATOM 182 N TYR A 14 -8.864 3.886 -12.820 1.00 25.00 N ATOM 183 CA TYR A 14 -9.562 4.292 -11.602 1.00 25.00 C ATOM 184 C TYR A 14 -8.602 4.360 -10.413 1.00 25.00 C ATOM 185 O TYR A 14 -8.671 5.257 -9.590 1.00 25.00 O ATOM 186 CB TYR A 14 -10.667 3.285 -11.306 1.00 25.00 C ATOM 187 CG TYR A 14 -11.443 2.878 -12.540 1.00 25.00 C ATOM 188 CD1 TYR A 14 -12.267 3.800 -13.218 1.00 25.00 C ATOM 189 CD2 TYR A 14 -11.348 1.565 -13.046 1.00 25.00 C ATOM 190 CE1 TYR A 14 -12.975 3.416 -14.392 1.00 25.00 C ATOM 191 CE2 TYR A 14 -12.054 1.179 -14.218 1.00 25.00 C ATOM 192 CZ TYR A 14 -12.856 2.114 -14.881 1.00 25.00 C ATOM 193 OH TYR A 14 -13.531 1.751 -16.018 1.00 25.00 O ATOM 0 H TYR A 14 -9.138 2.970 -13.175 1.00 25.00 H new ATOM 0 HA TYR A 14 -9.984 5.285 -11.755 1.00 25.00 H new ATOM 0 HB2 TYR A 14 -10.229 2.397 -10.850 1.00 25.00 H new ATOM 0 HB3 TYR A 14 -11.354 3.712 -10.576 1.00 25.00 H new ATOM 0 HD1 TYR A 14 -12.362 4.808 -12.843 1.00 25.00 H new ATOM 0 HD2 TYR A 14 -10.729 0.842 -12.535 1.00 25.00 H new ATOM 0 HE1 TYR A 14 -13.603 4.131 -14.903 1.00 25.00 H new ATOM 0 HE2 TYR A 14 -11.972 0.170 -14.594 1.00 25.00 H new ATOM 0 HH TYR A 14 -13.341 0.812 -16.226 1.00 25.00 H new ATOM 203 N GLN A 15 -7.678 3.414 -10.355 1.00 25.00 N ATOM 204 CA GLN A 15 -6.655 3.397 -9.307 1.00 25.00 C ATOM 205 C GLN A 15 -5.673 4.538 -9.545 1.00 25.00 C ATOM 206 O GLN A 15 -5.207 5.174 -8.607 1.00 25.00 O ATOM 207 CB GLN A 15 -5.902 2.066 -9.330 1.00 25.00 C ATOM 208 CG GLN A 15 -6.741 0.871 -8.894 1.00 25.00 C ATOM 209 CD GLN A 15 -6.903 0.808 -7.388 1.00 25.00 C ATOM 210 OE1 GLN A 15 -5.930 0.733 -6.659 1.00 25.00 O ATOM 211 NE2 GLN A 15 -8.123 0.839 -6.921 1.00 25.00 N ATOM 0 H GLN A 15 -7.611 2.644 -11.020 1.00 25.00 H new ATOM 0 HA GLN A 15 -7.135 3.517 -8.336 1.00 25.00 H new ATOM 0 HB2 GLN A 15 -5.531 1.888 -10.339 1.00 25.00 H new ATOM 0 HB3 GLN A 15 -5.031 2.142 -8.679 1.00 25.00 H new ATOM 0 HG2 GLN A 15 -7.724 0.928 -9.362 1.00 25.00 H new ATOM 0 HG3 GLN A 15 -6.273 -0.048 -9.247 1.00 25.00 H new ATOM 0 HE21 GLN A 15 -8.913 0.902 -7.563 1.00 25.00 H new ATOM 0 HE22 GLN A 15 -8.285 0.800 -5.915 1.00 25.00 H new ATOM 220 N LEU A 16 -5.388 4.809 -10.808 1.00 25.00 N ATOM 221 CA LEU A 16 -4.496 5.905 -11.184 1.00 25.00 C ATOM 222 C LEU A 16 -5.053 7.267 -10.766 1.00 25.00 C ATOM 223 O LEU A 16 -4.290 8.158 -10.436 1.00 25.00 O ATOM 224 CB LEU A 16 -4.190 5.880 -12.686 1.00 25.00 C ATOM 225 CG LEU A 16 -3.365 4.674 -13.173 1.00 25.00 C ATOM 226 CD1 LEU A 16 -3.187 4.729 -14.683 1.00 25.00 C ATOM 227 CD2 LEU A 16 -1.994 4.620 -12.512 1.00 25.00 C ATOM 0 H LEU A 16 -5.762 4.284 -11.598 1.00 25.00 H new ATOM 0 HA LEU A 16 -3.562 5.755 -10.642 1.00 25.00 H new ATOM 0 HB2 LEU A 16 -5.133 5.897 -13.232 1.00 25.00 H new ATOM 0 HB3 LEU A 16 -3.655 6.793 -12.946 1.00 25.00 H new ATOM 0 HG LEU A 16 -3.917 3.776 -12.895 1.00 25.00 H new ATOM 0 HD11 LEU A 16 -2.602 3.870 -15.012 1.00 25.00 H new ATOM 0 HD12 LEU A 16 -4.164 4.709 -15.166 1.00 25.00 H new ATOM 0 HD13 LEU A 16 -2.667 5.648 -14.955 1.00 25.00 H new ATOM 0 HD21 LEU A 16 -1.445 3.755 -12.883 1.00 25.00 H new ATOM 0 HD22 LEU A 16 -1.441 5.529 -12.747 1.00 25.00 H new ATOM 0 HD23 LEU A 16 -2.114 4.537 -11.432 1.00 25.00 H new ATOM 239 N GLU A 17 -6.371 7.428 -10.758 1.00 25.00 N ATOM 240 CA GLU A 17 -6.986 8.696 -10.339 1.00 25.00 C ATOM 241 C GLU A 17 -6.603 9.119 -8.911 1.00 25.00 C ATOM 242 O GLU A 17 -6.627 10.300 -8.594 1.00 25.00 O ATOM 243 CB GLU A 17 -8.513 8.625 -10.451 1.00 25.00 C ATOM 244 CG GLU A 17 -9.023 8.673 -11.884 1.00 25.00 C ATOM 245 CD GLU A 17 -10.509 8.496 -11.974 1.00 25.00 C ATOM 246 OE1 GLU A 17 -11.043 7.501 -12.387 1.00 25.00 O ATOM 247 OE2 GLU A 17 -11.174 9.522 -11.573 1.00 25.00 O ATOM 0 H GLU A 17 -7.036 6.706 -11.034 1.00 25.00 H new ATOM 0 HA GLU A 17 -6.594 9.452 -11.019 1.00 25.00 H new ATOM 0 HB2 GLU A 17 -8.861 7.705 -9.981 1.00 25.00 H new ATOM 0 HB3 GLU A 17 -8.949 9.453 -9.891 1.00 25.00 H new ATOM 0 HG2 GLU A 17 -8.747 9.627 -12.332 1.00 25.00 H new ATOM 0 HG3 GLU A 17 -8.532 7.893 -12.467 1.00 25.00 H new ATOM 255 N ASN A 18 -6.183 8.176 -8.075 1.00 25.00 N ATOM 256 CA ASN A 18 -5.723 8.495 -6.712 1.00 25.00 C ATOM 257 C ASN A 18 -4.490 9.407 -6.718 1.00 25.00 C ATOM 258 O ASN A 18 -4.232 10.125 -5.761 1.00 25.00 O ATOM 259 CB ASN A 18 -5.403 7.219 -5.925 1.00 25.00 C ATOM 260 CG ASN A 18 -6.640 6.461 -5.529 1.00 25.00 C ATOM 261 OD1 ASN A 18 -7.344 6.840 -4.614 1.00 25.00 O ATOM 262 ND2 ASN A 18 -6.904 5.381 -6.207 1.00 25.00 N ATOM 0 H ASN A 18 -6.148 7.184 -8.309 1.00 25.00 H new ATOM 0 HA ASN A 18 -6.542 9.026 -6.226 1.00 25.00 H new ATOM 0 HB2 ASN A 18 -4.764 6.575 -6.528 1.00 25.00 H new ATOM 0 HB3 ASN A 18 -4.839 7.480 -5.030 1.00 25.00 H new ATOM 0 HD21 ASN A 18 -7.725 4.822 -5.976 1.00 25.00 H new ATOM 0 HD22 ASN A 18 -6.290 5.094 -6.969 1.00 25.00 H new ATOM 269 N TYR A 19 -3.695 9.329 -7.777 1.00 25.00 N ATOM 270 CA TYR A 19 -2.476 10.132 -7.890 1.00 25.00 C ATOM 271 C TYR A 19 -2.773 11.582 -8.269 1.00 25.00 C ATOM 272 O TYR A 19 -1.888 12.434 -8.185 1.00 25.00 O ATOM 273 CB TYR A 19 -1.591 9.557 -8.989 1.00 25.00 C ATOM 274 CG TYR A 19 -0.883 8.269 -8.645 1.00 25.00 C ATOM 275 CD1 TYR A 19 -1.504 7.021 -8.852 1.00 25.00 C ATOM 276 CD2 TYR A 19 0.436 8.287 -8.154 1.00 25.00 C ATOM 277 CE1 TYR A 19 -0.813 5.816 -8.595 1.00 25.00 C ATOM 278 CE2 TYR A 19 1.132 7.084 -7.898 1.00 25.00 C ATOM 279 CZ TYR A 19 0.503 5.862 -8.131 1.00 25.00 C ATOM 280 OH TYR A 19 1.189 4.702 -7.901 1.00 25.00 O ATOM 0 H TYR A 19 -3.870 8.717 -8.574 1.00 25.00 H new ATOM 0 HA TYR A 19 -1.989 10.107 -6.915 1.00 25.00 H new ATOM 0 HB2 TYR A 19 -2.204 9.389 -9.875 1.00 25.00 H new ATOM 0 HB3 TYR A 19 -0.842 10.303 -9.256 1.00 25.00 H new ATOM 0 HD1 TYR A 19 -2.522 6.985 -9.212 1.00 25.00 H new ATOM 0 HD2 TYR A 19 0.923 9.233 -7.970 1.00 25.00 H new ATOM 0 HE1 TYR A 19 -1.300 4.865 -8.756 1.00 25.00 H new ATOM 0 HE2 TYR A 19 2.145 7.111 -7.524 1.00 25.00 H new ATOM 0 HH TYR A 19 0.711 3.952 -8.313 1.00 25.00 H new ATOM 290 N CYS A 20 -3.979 11.852 -8.761 1.00 25.00 N ATOM 291 CA CYS A 20 -4.319 13.167 -9.324 1.00 25.00 C ATOM 292 C CYS A 20 -4.600 14.251 -8.276 1.00 25.00 C ATOM 293 O CYS A 20 -5.680 14.831 -8.225 1.00 25.00 O ATOM 294 CB CYS A 20 -5.545 13.047 -10.235 1.00 25.00 C ATOM 295 SG CYS A 20 -5.469 11.720 -11.489 1.00 25.00 S ATOM 0 H CYS A 20 -4.744 11.178 -8.784 1.00 25.00 H new ATOM 0 HA CYS A 20 -3.434 13.480 -9.879 1.00 25.00 H new ATOM 0 HB2 CYS A 20 -6.424 12.884 -9.612 1.00 25.00 H new ATOM 0 HB3 CYS A 20 -5.690 13.998 -10.747 1.00 25.00 H new ATOM 300 N ASN A 21 -3.596 14.559 -7.455 1.00 25.00 N ATOM 301 CA ASN A 21 -3.682 15.650 -6.473 1.00 25.00 C ATOM 302 C ASN A 21 -3.752 17.025 -7.145 1.00 25.00 C ATOM 303 O ASN A 21 -4.409 17.952 -6.734 1.00 25.00 O ATOM 304 CB ASN A 21 -2.502 15.603 -5.486 1.00 25.00 C ATOM 305 CG ASN A 21 -2.735 16.563 -4.356 1.00 25.00 C ATOM 306 OD1 ASN A 21 -3.630 16.449 -3.560 1.00 25.00 O ATOM 307 ND2 ASN A 21 -1.866 17.558 -4.247 1.00 25.00 N ATOM 308 OXT ASN A 21 -2.994 17.151 -8.196 1.00 25.00 O ATOM 0 H ASN A 21 -2.704 14.065 -7.448 1.00 25.00 H new ATOM 0 HA ASN A 21 -4.609 15.501 -5.920 1.00 25.00 H new ATOM 0 HB2 ASN A 21 -2.384 14.592 -5.096 1.00 25.00 H new ATOM 0 HB3 ASN A 21 -1.576 15.855 -6.002 1.00 25.00 H new ATOM 0 HD21 ASN A 21 -1.954 18.231 -3.486 1.00 25.00 H new ATOM 0 HD22 ASN A 21 -1.109 17.650 -4.924 1.00 25.00 H new TER 316 ASN A 21 ATOM 317 N PHE B 1 -8.302 2.637 -22.820 1.00 25.00 N ATOM 318 CA PHE B 1 -7.159 2.266 -21.939 1.00 25.00 C ATOM 319 C PHE B 1 -6.830 0.795 -22.121 1.00 25.00 C ATOM 320 O PHE B 1 -7.688 0.047 -22.556 1.00 25.00 O ATOM 321 CB PHE B 1 -7.526 2.554 -20.476 1.00 25.00 C ATOM 322 CG PHE B 1 -6.332 2.756 -19.576 1.00 25.00 C ATOM 323 CD1 PHE B 1 -5.717 4.021 -19.485 1.00 25.00 C ATOM 324 CD2 PHE B 1 -5.817 1.691 -18.813 1.00 25.00 C ATOM 325 CE1 PHE B 1 -4.587 4.220 -18.654 1.00 25.00 C ATOM 326 CE2 PHE B 1 -4.686 1.880 -17.976 1.00 25.00 C ATOM 327 CZ PHE B 1 -4.070 3.145 -17.904 1.00 25.00 C ATOM 0 H1 PHE B 1 -7.940 3.063 -23.697 1.00 25.00 H new ATOM 0 H2 PHE B 1 -8.853 1.786 -23.050 1.00 25.00 H new ATOM 0 H3 PHE B 1 -8.911 3.322 -22.328 1.00 25.00 H new ATOM 0 HA PHE B 1 -6.283 2.857 -22.207 1.00 25.00 H new ATOM 0 HB2 PHE B 1 -8.153 3.445 -20.437 1.00 25.00 H new ATOM 0 HB3 PHE B 1 -8.123 1.727 -20.092 1.00 25.00 H new ATOM 0 HD1 PHE B 1 -6.112 4.849 -20.056 1.00 25.00 H new ATOM 0 HD2 PHE B 1 -6.287 0.720 -18.865 1.00 25.00 H new ATOM 0 HE1 PHE B 1 -4.123 5.193 -18.595 1.00 25.00 H new ATOM 0 HE2 PHE B 1 -4.299 1.056 -17.396 1.00 25.00 H new ATOM 0 HZ PHE B 1 -3.204 3.290 -17.276 1.00 25.00 H new ATOM 339 N VAL B 2 -5.606 0.381 -21.817 1.00 25.00 N ATOM 340 CA VAL B 2 -5.196 -1.018 -21.972 1.00 25.00 C ATOM 341 C VAL B 2 -4.392 -1.375 -20.731 1.00 25.00 C ATOM 342 O VAL B 2 -3.714 -0.512 -20.169 1.00 25.00 O ATOM 343 CB VAL B 2 -4.367 -1.243 -23.291 1.00 25.00 C ATOM 344 CG1 VAL B 2 -2.990 -0.562 -23.226 1.00 25.00 C ATOM 345 CG2 VAL B 2 -4.206 -2.742 -23.588 1.00 25.00 C ATOM 0 H VAL B 2 -4.873 0.994 -21.460 1.00 25.00 H new ATOM 0 HA VAL B 2 -6.067 -1.666 -22.066 1.00 25.00 H new ATOM 0 HB VAL B 2 -4.928 -0.782 -24.104 1.00 25.00 H new ATOM 0 HG11 VAL B 2 -2.451 -0.742 -24.156 1.00 25.00 H new ATOM 0 HG12 VAL B 2 -3.121 0.511 -23.084 1.00 25.00 H new ATOM 0 HG13 VAL B 2 -2.421 -0.971 -22.391 1.00 25.00 H new ATOM 0 HG21 VAL B 2 -3.630 -2.872 -24.504 1.00 25.00 H new ATOM 0 HG22 VAL B 2 -3.685 -3.223 -22.760 1.00 25.00 H new ATOM 0 HG23 VAL B 2 -5.189 -3.196 -23.711 1.00 25.00 H new ATOM 355 N ASN B 3 -4.521 -2.600 -20.242 1.00 25.00 N ATOM 356 CA ASN B 3 -3.783 -2.992 -19.050 1.00 25.00 C ATOM 357 C ASN B 3 -2.313 -3.172 -19.371 1.00 25.00 C ATOM 358 O ASN B 3 -1.952 -3.759 -20.383 1.00 25.00 O ATOM 359 CB ASN B 3 -4.316 -4.286 -18.418 1.00 25.00 C ATOM 360 CG ASN B 3 -4.137 -5.501 -19.297 1.00 25.00 C ATOM 361 OD1 ASN B 3 -3.147 -6.195 -19.200 1.00 25.00 O ATOM 362 ND2 ASN B 3 -5.120 -5.794 -20.104 1.00 25.00 N ATOM 0 H ASN B 3 -5.116 -3.326 -20.642 1.00 25.00 H new ATOM 0 HA ASN B 3 -3.918 -2.186 -18.329 1.00 25.00 H new ATOM 0 HB2 ASN B 3 -3.806 -4.455 -17.469 1.00 25.00 H new ATOM 0 HB3 ASN B 3 -5.375 -4.162 -18.193 1.00 25.00 H new ATOM 0 HD21 ASN B 3 -5.072 -6.633 -20.682 1.00 25.00 H new ATOM 0 HD22 ASN B 3 -5.936 -5.184 -20.156 1.00 25.00 H new ATOM 369 N GLN B 4 -1.479 -2.670 -18.481 1.00 25.00 N ATOM 370 CA GLN B 4 -0.048 -2.900 -18.529 1.00 25.00 C ATOM 371 C GLN B 4 0.455 -2.602 -17.126 1.00 25.00 C ATOM 372 O GLN B 4 -0.079 -1.727 -16.448 1.00 25.00 O ATOM 373 CB GLN B 4 0.640 -1.994 -19.572 1.00 25.00 C ATOM 374 CG GLN B 4 0.424 -0.494 -19.372 1.00 25.00 C ATOM 375 CD GLN B 4 1.018 0.332 -20.497 1.00 25.00 C ATOM 376 OE1 GLN B 4 2.155 0.806 -20.417 1.00 25.00 O ATOM 377 NE2 GLN B 4 0.252 0.522 -21.544 1.00 25.00 N ATOM 0 H GLN B 4 -1.777 -2.087 -17.699 1.00 25.00 H new ATOM 0 HA GLN B 4 0.180 -3.922 -18.833 1.00 25.00 H new ATOM 0 HB2 GLN B 4 1.711 -2.196 -19.556 1.00 25.00 H new ATOM 0 HB3 GLN B 4 0.279 -2.268 -20.563 1.00 25.00 H new ATOM 0 HG2 GLN B 4 -0.644 -0.290 -19.301 1.00 25.00 H new ATOM 0 HG3 GLN B 4 0.871 -0.189 -18.426 1.00 25.00 H new ATOM 0 HE21 GLN B 4 -0.682 0.114 -21.573 1.00 25.00 H new ATOM 0 HE22 GLN B 4 0.590 1.078 -22.329 1.00 25.00 H new ATOM 386 N HIS B 5 1.481 -3.312 -16.693 1.00 25.00 N ATOM 387 CA HIS B 5 2.174 -2.952 -15.451 1.00 25.00 C ATOM 388 C HIS B 5 2.860 -1.607 -15.706 1.00 25.00 C ATOM 389 O HIS B 5 3.334 -1.359 -16.816 1.00 25.00 O ATOM 390 CB HIS B 5 3.207 -4.016 -15.071 1.00 25.00 C ATOM 391 CG HIS B 5 2.596 -5.318 -14.652 1.00 25.00 C ATOM 392 ND1 HIS B 5 1.660 -5.427 -13.643 1.00 25.00 N ATOM 393 CD2 HIS B 5 2.764 -6.588 -15.090 1.00 25.00 C ATOM 394 CE1 HIS B 5 1.289 -6.700 -13.536 1.00 25.00 C ATOM 395 NE2 HIS B 5 1.952 -7.408 -14.388 1.00 25.00 N ATOM 0 H HIS B 5 1.856 -4.132 -17.170 1.00 25.00 H new ATOM 0 HA HIS B 5 1.469 -2.885 -14.622 1.00 25.00 H new ATOM 0 HB2 HIS B 5 3.867 -4.190 -15.921 1.00 25.00 H new ATOM 0 HB3 HIS B 5 3.826 -3.636 -14.259 1.00 25.00 H new ATOM 0 HD2 HIS B 5 3.439 -6.896 -15.875 1.00 25.00 H new ATOM 0 HE1 HIS B 5 0.551 -7.081 -12.846 1.00 25.00 H new ATOM 0 HE2 HIS B 5 1.875 -8.418 -14.511 1.00 25.00 H new ATOM 404 N LEU B 6 2.883 -0.729 -14.712 1.00 25.00 N ATOM 405 CA LEU B 6 3.422 0.622 -14.890 1.00 25.00 C ATOM 406 C LEU B 6 4.486 0.951 -13.848 1.00 25.00 C ATOM 407 O LEU B 6 4.180 1.256 -12.702 1.00 25.00 O ATOM 408 CB LEU B 6 2.280 1.637 -14.772 1.00 25.00 C ATOM 409 CG LEU B 6 1.225 1.633 -15.889 1.00 25.00 C ATOM 410 CD1 LEU B 6 0.013 2.447 -15.462 1.00 25.00 C ATOM 411 CD2 LEU B 6 1.798 2.200 -17.186 1.00 25.00 C ATOM 0 H LEU B 6 2.536 -0.923 -13.773 1.00 25.00 H new ATOM 0 HA LEU B 6 3.886 0.671 -15.875 1.00 25.00 H new ATOM 0 HB2 LEU B 6 1.770 1.465 -13.824 1.00 25.00 H new ATOM 0 HB3 LEU B 6 2.717 2.634 -14.722 1.00 25.00 H new ATOM 0 HG LEU B 6 0.924 0.601 -16.069 1.00 25.00 H new ATOM 0 HD11 LEU B 6 -0.730 2.439 -16.260 1.00 25.00 H new ATOM 0 HD12 LEU B 6 -0.418 2.012 -14.560 1.00 25.00 H new ATOM 0 HD13 LEU B 6 0.317 3.474 -15.260 1.00 25.00 H new ATOM 0 HD21 LEU B 6 1.030 2.186 -17.960 1.00 25.00 H new ATOM 0 HD22 LEU B 6 2.127 3.226 -17.021 1.00 25.00 H new ATOM 0 HD23 LEU B 6 2.646 1.594 -17.505 1.00 25.00 H new ATOM 423 N CYS B 7 5.740 0.947 -14.276 1.00 25.00 N ATOM 424 CA CYS B 7 6.860 1.256 -13.389 1.00 25.00 C ATOM 425 C CYS B 7 7.604 2.491 -13.885 1.00 25.00 C ATOM 426 O CYS B 7 7.701 2.717 -15.092 1.00 25.00 O ATOM 427 CB CYS B 7 7.837 0.076 -13.367 1.00 25.00 C ATOM 428 SG CYS B 7 7.061 -1.526 -12.979 1.00 25.00 S ATOM 0 H CYS B 7 6.012 0.733 -15.236 1.00 25.00 H new ATOM 0 HA CYS B 7 6.468 1.443 -12.389 1.00 25.00 H new ATOM 0 HB2 CYS B 7 8.326 0.005 -14.339 1.00 25.00 H new ATOM 0 HB3 CYS B 7 8.616 0.277 -12.632 1.00 25.00 H new ATOM 433 N GLY B 8 8.171 3.258 -12.967 1.00 25.00 N ATOM 434 CA GLY B 8 8.988 4.397 -13.355 1.00 25.00 C ATOM 435 C GLY B 8 8.247 5.406 -14.212 1.00 25.00 C ATOM 436 O GLY B 8 7.084 5.718 -13.974 1.00 25.00 O ATOM 0 H GLY B 8 8.083 3.116 -11.961 1.00 25.00 H new ATOM 0 HA2 GLY B 8 9.355 4.894 -12.457 1.00 25.00 H new ATOM 0 HA3 GLY B 8 9.861 4.039 -13.901 1.00 25.00 H new ATOM 440 N SER B 9 8.921 5.881 -15.248 1.00 25.00 N ATOM 441 CA SER B 9 8.362 6.861 -16.175 1.00 25.00 C ATOM 442 C SER B 9 7.096 6.384 -16.889 1.00 25.00 C ATOM 443 O SER B 9 6.265 7.200 -17.262 1.00 25.00 O ATOM 444 CB SER B 9 9.430 7.197 -17.210 1.00 25.00 C ATOM 445 OG SER B 9 10.541 6.328 -17.039 1.00 25.00 O ATOM 0 H SER B 9 9.875 5.598 -15.473 1.00 25.00 H new ATOM 0 HA SER B 9 8.069 7.733 -15.591 1.00 25.00 H new ATOM 0 HB2 SER B 9 9.023 7.092 -18.216 1.00 25.00 H new ATOM 0 HB3 SER B 9 9.745 8.235 -17.100 1.00 25.00 H new ATOM 0 HG SER B 9 11.228 6.541 -17.704 1.00 25.00 H new ATOM 451 N HIS B 10 6.915 5.077 -17.056 1.00 25.00 N ATOM 452 CA HIS B 10 5.689 4.572 -17.692 1.00 25.00 C ATOM 453 C HIS B 10 4.476 4.994 -16.872 1.00 25.00 C ATOM 454 O HIS B 10 3.449 5.358 -17.430 1.00 25.00 O ATOM 455 CB HIS B 10 5.703 3.042 -17.824 1.00 25.00 C ATOM 456 CG HIS B 10 6.058 2.557 -19.195 1.00 25.00 C ATOM 457 ND1 HIS B 10 5.137 1.968 -20.073 1.00 25.00 N ATOM 458 CD2 HIS B 10 7.238 2.544 -19.873 1.00 25.00 C ATOM 459 CE1 HIS B 10 5.769 1.640 -21.195 1.00 25.00 C ATOM 460 NE2 HIS B 10 7.028 1.980 -21.094 1.00 25.00 N ATOM 0 H HIS B 10 7.580 4.359 -16.770 1.00 25.00 H new ATOM 0 HA HIS B 10 5.636 4.998 -18.694 1.00 25.00 H new ATOM 0 HB2 HIS B 10 6.415 2.631 -17.108 1.00 25.00 H new ATOM 0 HB3 HIS B 10 4.720 2.654 -17.555 1.00 25.00 H new ATOM 0 HD1 HIS B 10 4.147 1.816 -19.882 1.00 25.00 H new ATOM 0 HD2 HIS B 10 8.182 2.918 -19.504 1.00 25.00 H new ATOM 0 HE1 HIS B 10 5.315 1.168 -22.054 1.00 25.00 H new ATOM 469 N LEU B 11 4.608 4.968 -15.552 1.00 25.00 N ATOM 470 CA LEU B 11 3.510 5.368 -14.677 1.00 25.00 C ATOM 471 C LEU B 11 3.246 6.856 -14.829 1.00 25.00 C ATOM 472 O LEU B 11 2.110 7.274 -14.945 1.00 25.00 O ATOM 473 CB LEU B 11 3.847 5.048 -13.213 1.00 25.00 C ATOM 474 CG LEU B 11 2.736 5.344 -12.189 1.00 25.00 C ATOM 475 CD1 LEU B 11 1.504 4.497 -12.430 1.00 25.00 C ATOM 476 CD2 LEU B 11 3.249 5.078 -10.790 1.00 25.00 C ATOM 0 H LEU B 11 5.456 4.677 -15.066 1.00 25.00 H new ATOM 0 HA LEU B 11 2.617 4.811 -14.961 1.00 25.00 H new ATOM 0 HB2 LEU B 11 4.108 3.992 -13.143 1.00 25.00 H new ATOM 0 HB3 LEU B 11 4.734 5.615 -12.932 1.00 25.00 H new ATOM 0 HG LEU B 11 2.457 6.392 -12.302 1.00 25.00 H new ATOM 0 HD11 LEU B 11 0.745 4.738 -11.685 1.00 25.00 H new ATOM 0 HD12 LEU B 11 1.112 4.700 -13.426 1.00 25.00 H new ATOM 0 HD13 LEU B 11 1.767 3.442 -12.352 1.00 25.00 H new ATOM 0 HD21 LEU B 11 2.461 5.288 -10.067 1.00 25.00 H new ATOM 0 HD22 LEU B 11 3.550 4.034 -10.705 1.00 25.00 H new ATOM 0 HD23 LEU B 11 4.106 5.720 -10.589 1.00 25.00 H new ATOM 488 N VAL B 12 4.307 7.646 -14.866 1.00 25.00 N ATOM 489 CA VAL B 12 4.186 9.100 -14.982 1.00 25.00 C ATOM 490 C VAL B 12 3.470 9.491 -16.278 1.00 25.00 C ATOM 491 O VAL B 12 2.575 10.328 -16.271 1.00 25.00 O ATOM 492 CB VAL B 12 5.593 9.765 -14.936 1.00 25.00 C ATOM 493 CG1 VAL B 12 5.492 11.279 -15.022 1.00 25.00 C ATOM 494 CG2 VAL B 12 6.322 9.366 -13.644 1.00 25.00 C ATOM 0 H VAL B 12 5.268 7.308 -14.817 1.00 25.00 H new ATOM 0 HA VAL B 12 3.593 9.455 -14.139 1.00 25.00 H new ATOM 0 HB VAL B 12 6.159 9.412 -15.798 1.00 25.00 H new ATOM 0 HG11 VAL B 12 6.491 11.713 -14.987 1.00 25.00 H new ATOM 0 HG12 VAL B 12 5.007 11.559 -15.957 1.00 25.00 H new ATOM 0 HG13 VAL B 12 4.905 11.653 -14.183 1.00 25.00 H new ATOM 0 HG21 VAL B 12 7.305 9.836 -13.621 1.00 25.00 H new ATOM 0 HG22 VAL B 12 5.742 9.696 -12.782 1.00 25.00 H new ATOM 0 HG23 VAL B 12 6.437 8.283 -13.611 1.00 25.00 H new ATOM 504 N GLU B 13 3.829 8.858 -17.385 1.00 25.00 N ATOM 505 CA GLU B 13 3.193 9.176 -18.664 1.00 25.00 C ATOM 506 C GLU B 13 1.730 8.744 -18.685 1.00 25.00 C ATOM 507 O GLU B 13 0.902 9.372 -19.336 1.00 25.00 O ATOM 508 CB GLU B 13 3.950 8.531 -19.826 1.00 25.00 C ATOM 509 CG GLU B 13 5.375 9.070 -19.997 1.00 25.00 C ATOM 510 CD GLU B 13 5.427 10.572 -20.033 1.00 25.00 C ATOM 511 OE1 GLU B 13 6.014 11.225 -19.219 1.00 25.00 O ATOM 512 OE2 GLU B 13 4.762 11.095 -21.015 1.00 25.00 O ATOM 0 H GLU B 13 4.545 8.132 -17.429 1.00 25.00 H new ATOM 0 HA GLU B 13 3.228 10.259 -18.782 1.00 25.00 H new ATOM 0 HB2 GLU B 13 3.993 7.453 -19.668 1.00 25.00 H new ATOM 0 HB3 GLU B 13 3.394 8.696 -20.749 1.00 25.00 H new ATOM 0 HG2 GLU B 13 5.996 8.709 -19.178 1.00 25.00 H new ATOM 0 HG3 GLU B 13 5.801 8.674 -20.919 1.00 25.00 H new ATOM 520 N ALA B 14 1.401 7.698 -17.946 1.00 25.00 N ATOM 521 CA ALA B 14 0.019 7.253 -17.851 1.00 25.00 C ATOM 522 C ALA B 14 -0.776 8.259 -17.016 1.00 25.00 C ATOM 523 O ALA B 14 -1.925 8.567 -17.322 1.00 25.00 O ATOM 524 CB ALA B 14 -0.041 5.868 -17.219 1.00 25.00 C ATOM 0 H ALA B 14 2.066 7.144 -17.406 1.00 25.00 H new ATOM 0 HA ALA B 14 -0.417 7.193 -18.848 1.00 25.00 H new ATOM 0 HB1 ALA B 14 -1.079 5.543 -17.152 1.00 25.00 H new ATOM 0 HB2 ALA B 14 0.521 5.163 -17.832 1.00 25.00 H new ATOM 0 HB3 ALA B 14 0.393 5.905 -16.220 1.00 25.00 H new ATOM 530 N LEU B 15 -0.152 8.778 -15.969 1.00 25.00 N ATOM 531 CA LEU B 15 -0.799 9.745 -15.089 1.00 25.00 C ATOM 532 C LEU B 15 -1.086 11.054 -15.803 1.00 25.00 C ATOM 533 O LEU B 15 -2.122 11.655 -15.564 1.00 25.00 O ATOM 534 CB LEU B 15 0.064 10.009 -13.851 1.00 25.00 C ATOM 535 CG LEU B 15 0.114 8.872 -12.818 1.00 25.00 C ATOM 536 CD1 LEU B 15 1.072 9.203 -11.682 1.00 25.00 C ATOM 537 CD2 LEU B 15 -1.266 8.608 -12.290 1.00 25.00 C ATOM 0 H LEU B 15 0.806 8.546 -15.706 1.00 25.00 H new ATOM 0 HA LEU B 15 -1.751 9.313 -14.780 1.00 25.00 H new ATOM 0 HB2 LEU B 15 1.081 10.222 -14.179 1.00 25.00 H new ATOM 0 HB3 LEU B 15 -0.307 10.907 -13.357 1.00 25.00 H new ATOM 0 HG LEU B 15 0.486 7.972 -13.308 1.00 25.00 H new ATOM 0 HD11 LEU B 15 1.086 8.381 -10.967 1.00 25.00 H new ATOM 0 HD12 LEU B 15 2.074 9.353 -12.083 1.00 25.00 H new ATOM 0 HD13 LEU B 15 0.742 10.113 -11.181 1.00 25.00 H new ATOM 0 HD21 LEU B 15 -1.227 7.801 -11.558 1.00 25.00 H new ATOM 0 HD22 LEU B 15 -1.653 9.510 -11.816 1.00 25.00 H new ATOM 0 HD23 LEU B 15 -1.921 8.321 -13.112 1.00 25.00 H new ATOM 549 N TYR B 16 -0.226 11.456 -16.727 1.00 25.00 N ATOM 550 CA TYR B 16 -0.492 12.660 -17.522 1.00 25.00 C ATOM 551 C TYR B 16 -1.812 12.520 -18.267 1.00 25.00 C ATOM 552 O TYR B 16 -2.572 13.471 -18.370 1.00 25.00 O ATOM 553 CB TYR B 16 0.624 12.913 -18.542 1.00 25.00 C ATOM 554 CG TYR B 16 1.795 13.697 -17.993 1.00 25.00 C ATOM 555 CD1 TYR B 16 1.651 15.053 -17.635 1.00 25.00 C ATOM 556 CD2 TYR B 16 3.063 13.099 -17.848 1.00 25.00 C ATOM 557 CE1 TYR B 16 2.752 15.796 -17.129 1.00 25.00 C ATOM 558 CE2 TYR B 16 4.167 13.843 -17.356 1.00 25.00 C ATOM 559 CZ TYR B 16 3.998 15.182 -16.997 1.00 25.00 C ATOM 560 OH TYR B 16 5.062 15.900 -16.516 1.00 25.00 O ATOM 0 H TYR B 16 0.649 10.980 -16.947 1.00 25.00 H new ATOM 0 HA TYR B 16 -0.539 13.502 -16.832 1.00 25.00 H new ATOM 0 HB2 TYR B 16 0.985 11.955 -18.915 1.00 25.00 H new ATOM 0 HB3 TYR B 16 0.208 13.450 -19.394 1.00 25.00 H new ATOM 0 HD1 TYR B 16 0.691 15.534 -17.747 1.00 25.00 H new ATOM 0 HD2 TYR B 16 3.196 12.061 -18.115 1.00 25.00 H new ATOM 0 HE1 TYR B 16 2.625 16.831 -16.848 1.00 25.00 H new ATOM 0 HE2 TYR B 16 5.135 13.375 -17.259 1.00 25.00 H new ATOM 0 HH TYR B 16 5.856 15.327 -16.485 1.00 25.00 H new ATOM 570 N LEU B 17 -2.093 11.334 -18.784 1.00 25.00 N ATOM 571 CA LEU B 17 -3.347 11.106 -19.496 1.00 25.00 C ATOM 572 C LEU B 17 -4.563 11.068 -18.574 1.00 25.00 C ATOM 573 O LEU B 17 -5.602 11.634 -18.885 1.00 25.00 O ATOM 574 CB LEU B 17 -3.297 9.782 -20.250 1.00 25.00 C ATOM 575 CG LEU B 17 -2.219 9.627 -21.334 1.00 25.00 C ATOM 576 CD1 LEU B 17 -2.194 8.173 -21.812 1.00 25.00 C ATOM 577 CD2 LEU B 17 -2.470 10.562 -22.519 1.00 25.00 C ATOM 0 H LEU B 17 -1.480 10.521 -18.727 1.00 25.00 H new ATOM 0 HA LEU B 17 -3.456 11.949 -20.179 1.00 25.00 H new ATOM 0 HB2 LEU B 17 -3.159 8.984 -19.521 1.00 25.00 H new ATOM 0 HB3 LEU B 17 -4.269 9.623 -20.716 1.00 25.00 H new ATOM 0 HG LEU B 17 -1.256 9.897 -20.902 1.00 25.00 H new ATOM 0 HD11 LEU B 17 -1.431 8.056 -22.582 1.00 25.00 H new ATOM 0 HD12 LEU B 17 -1.965 7.518 -20.972 1.00 25.00 H new ATOM 0 HD13 LEU B 17 -3.168 7.909 -22.224 1.00 25.00 H new ATOM 0 HD21 LEU B 17 -1.687 10.423 -23.264 1.00 25.00 H new ATOM 0 HD22 LEU B 17 -3.439 10.334 -22.964 1.00 25.00 H new ATOM 0 HD23 LEU B 17 -2.463 11.596 -22.174 1.00 25.00 H new ATOM 589 N VAL B 18 -4.451 10.335 -17.474 1.00 25.00 N ATOM 590 CA VAL B 18 -5.595 10.113 -16.582 1.00 25.00 C ATOM 591 C VAL B 18 -5.936 11.381 -15.811 1.00 25.00 C ATOM 592 O VAL B 18 -7.101 11.765 -15.695 1.00 25.00 O ATOM 593 CB VAL B 18 -5.302 8.949 -15.579 1.00 25.00 C ATOM 594 CG1 VAL B 18 -6.456 8.767 -14.578 1.00 25.00 C ATOM 595 CG2 VAL B 18 -5.088 7.638 -16.349 1.00 25.00 C ATOM 0 H VAL B 18 -3.587 9.884 -17.174 1.00 25.00 H new ATOM 0 HA VAL B 18 -6.448 9.838 -17.202 1.00 25.00 H new ATOM 0 HB VAL B 18 -4.400 9.207 -15.023 1.00 25.00 H new ATOM 0 HG11 VAL B 18 -6.220 7.950 -13.896 1.00 25.00 H new ATOM 0 HG12 VAL B 18 -6.593 9.687 -14.010 1.00 25.00 H new ATOM 0 HG13 VAL B 18 -7.373 8.535 -15.119 1.00 25.00 H new ATOM 0 HG21 VAL B 18 -4.884 6.831 -15.645 1.00 25.00 H new ATOM 0 HG22 VAL B 18 -5.985 7.402 -16.922 1.00 25.00 H new ATOM 0 HG23 VAL B 18 -4.243 7.749 -17.028 1.00 25.00 H new ATOM 605 N CYS B 19 -4.918 12.043 -15.291 1.00 25.00 N ATOM 606 CA CYS B 19 -5.131 13.242 -14.502 1.00 25.00 C ATOM 607 C CYS B 19 -5.270 14.466 -15.390 1.00 25.00 C ATOM 608 O CYS B 19 -5.796 15.489 -14.956 1.00 25.00 O ATOM 609 CB CYS B 19 -3.977 13.430 -13.526 1.00 25.00 C ATOM 610 SG CYS B 19 -3.707 11.972 -12.462 1.00 25.00 S ATOM 0 H CYS B 19 -3.941 11.772 -15.400 1.00 25.00 H new ATOM 0 HA CYS B 19 -6.060 13.124 -13.945 1.00 25.00 H new ATOM 0 HB2 CYS B 19 -3.065 13.640 -14.085 1.00 25.00 H new ATOM 0 HB3 CYS B 19 -4.175 14.300 -12.900 1.00 25.00 H new ATOM 615 N GLY B 20 -4.834 14.369 -16.638 1.00 25.00 N ATOM 616 CA GLY B 20 -4.938 15.500 -17.542 1.00 25.00 C ATOM 617 C GLY B 20 -4.145 16.703 -17.059 1.00 25.00 C ATOM 618 O GLY B 20 -3.198 16.592 -16.283 1.00 25.00 O ATOM 0 H GLY B 20 -4.412 13.532 -17.041 1.00 25.00 H new ATOM 0 HA2 GLY B 20 -4.582 15.206 -18.529 1.00 25.00 H new ATOM 0 HA3 GLY B 20 -5.986 15.779 -17.651 1.00 25.00 H new ATOM 622 N GLU B 21 -4.571 17.880 -17.497 1.00 25.00 N ATOM 623 CA GLU B 21 -3.910 19.140 -17.137 1.00 25.00 C ATOM 624 C GLU B 21 -4.041 19.529 -15.656 1.00 25.00 C ATOM 625 O GLU B 21 -3.456 20.514 -15.230 1.00 25.00 O ATOM 626 CB GLU B 21 -4.468 20.274 -18.005 1.00 25.00 C ATOM 627 CG GLU B 21 -5.903 20.675 -17.657 1.00 25.00 C ATOM 628 CD GLU B 21 -6.499 21.610 -18.667 1.00 25.00 C ATOM 629 OE1 GLU B 21 -7.448 21.325 -19.335 1.00 25.00 O ATOM 630 OE2 GLU B 21 -5.885 22.746 -18.753 1.00 25.00 O ATOM 0 H GLU B 21 -5.379 17.995 -18.109 1.00 25.00 H new ATOM 0 HA GLU B 21 -2.847 18.981 -17.317 1.00 25.00 H new ATOM 0 HB2 GLU B 21 -3.823 21.147 -17.903 1.00 25.00 H new ATOM 0 HB3 GLU B 21 -4.430 19.970 -19.051 1.00 25.00 H new ATOM 0 HG2 GLU B 21 -6.520 19.779 -17.587 1.00 25.00 H new ATOM 0 HG3 GLU B 21 -5.917 21.149 -16.675 1.00 25.00 H new ATOM 638 N ARG B 22 -4.831 18.787 -14.885 1.00 25.00 N ATOM 639 CA ARG B 22 -5.021 19.087 -13.462 1.00 25.00 C ATOM 640 C ARG B 22 -3.761 18.761 -12.661 1.00 25.00 C ATOM 641 O ARG B 22 -3.581 19.255 -11.555 1.00 25.00 O ATOM 642 CB ARG B 22 -6.199 18.286 -12.894 1.00 25.00 C ATOM 643 CG ARG B 22 -7.592 18.835 -13.261 1.00 25.00 C ATOM 644 CD ARG B 22 -8.078 18.514 -14.687 1.00 25.00 C ATOM 645 NE ARG B 22 -8.113 17.067 -14.959 1.00 25.00 N ATOM 646 CZ ARG B 22 -8.832 16.470 -15.902 1.00 25.00 C ATOM 647 NH1 ARG B 22 -9.631 17.133 -16.704 1.00 25.00 N ATOM 648 NH2 ARG B 22 -8.738 15.178 -16.045 1.00 25.00 N ATOM 0 H ARG B 22 -5.351 17.975 -15.217 1.00 25.00 H new ATOM 0 HA ARG B 22 -5.232 20.153 -13.376 1.00 25.00 H new ATOM 0 HB2 ARG B 22 -6.125 17.258 -13.248 1.00 25.00 H new ATOM 0 HB3 ARG B 22 -6.110 18.257 -11.808 1.00 25.00 H new ATOM 0 HG2 ARG B 22 -8.318 18.439 -12.551 1.00 25.00 H new ATOM 0 HG3 ARG B 22 -7.581 19.918 -13.135 1.00 25.00 H new ATOM 0 HD2 ARG B 22 -9.075 18.931 -14.830 1.00 25.00 H new ATOM 0 HD3 ARG B 22 -7.422 19.000 -15.409 1.00 25.00 H new ATOM 0 HE ARG B 22 -7.533 16.470 -14.370 1.00 25.00 H new ATOM 0 HH11 ARG B 22 -9.717 18.146 -16.616 1.00 25.00 H new ATOM 0 HH12 ARG B 22 -10.166 16.636 -17.416 1.00 25.00 H new ATOM 0 HH21 ARG B 22 -8.119 14.641 -15.437 1.00 25.00 H new ATOM 0 HH22 ARG B 22 -9.283 14.704 -16.765 1.00 25.00 H new ATOM 662 N GLY B 23 -2.891 17.943 -13.233 1.00 25.00 N ATOM 663 CA GLY B 23 -1.652 17.583 -12.565 1.00 25.00 C ATOM 664 C GLY B 23 -1.832 16.407 -11.629 1.00 25.00 C ATOM 665 O GLY B 23 -2.939 15.902 -11.451 1.00 25.00 O ATOM 0 H GLY B 23 -3.019 17.519 -14.152 1.00 25.00 H new ATOM 0 HA2 GLY B 23 -0.896 17.340 -13.311 1.00 25.00 H new ATOM 0 HA3 GLY B 23 -1.281 18.440 -12.003 1.00 25.00 H new ATOM 669 N PHE B 24 -0.724 15.939 -11.071 1.00 25.00 N ATOM 670 CA PHE B 24 -0.710 14.761 -10.213 1.00 25.00 C ATOM 671 C PHE B 24 0.601 14.763 -9.442 1.00 25.00 C ATOM 672 O PHE B 24 1.428 15.649 -9.647 1.00 25.00 O ATOM 673 CB PHE B 24 -0.826 13.492 -11.062 1.00 25.00 C ATOM 674 CG PHE B 24 0.256 13.338 -12.079 1.00 25.00 C ATOM 675 CD1 PHE B 24 1.439 12.661 -11.755 1.00 25.00 C ATOM 676 CD2 PHE B 24 0.091 13.841 -13.378 1.00 25.00 C ATOM 677 CE1 PHE B 24 2.451 12.481 -12.708 1.00 25.00 C ATOM 678 CE2 PHE B 24 1.101 13.679 -14.344 1.00 25.00 C ATOM 679 CZ PHE B 24 2.285 12.996 -14.013 1.00 25.00 C ATOM 0 H PHE B 24 0.193 16.366 -11.201 1.00 25.00 H new ATOM 0 HA PHE B 24 -1.553 14.782 -9.522 1.00 25.00 H new ATOM 0 HB2 PHE B 24 -0.816 12.624 -10.402 1.00 25.00 H new ATOM 0 HB3 PHE B 24 -1.790 13.495 -11.570 1.00 25.00 H new ATOM 0 HD1 PHE B 24 1.573 12.272 -10.756 1.00 25.00 H new ATOM 0 HD2 PHE B 24 -0.821 14.358 -13.639 1.00 25.00 H new ATOM 0 HE1 PHE B 24 3.354 11.951 -12.446 1.00 25.00 H new ATOM 0 HE2 PHE B 24 0.967 14.079 -15.338 1.00 25.00 H new ATOM 0 HZ PHE B 24 3.062 12.866 -14.752 1.00 25.00 H new ATOM 689 N PHE B 25 0.813 13.757 -8.607 1.00 25.00 N ATOM 690 CA PHE B 25 2.072 13.616 -7.878 1.00 25.00 C ATOM 691 C PHE B 25 2.665 12.250 -8.188 1.00 25.00 C ATOM 692 O PHE B 25 1.956 11.331 -8.587 1.00 25.00 O ATOM 693 CB PHE B 25 1.865 13.779 -6.362 1.00 25.00 C ATOM 694 CG PHE B 25 1.200 12.593 -5.702 1.00 25.00 C ATOM 695 CD1 PHE B 25 -0.198 12.525 -5.594 1.00 25.00 C ATOM 696 CD2 PHE B 25 1.977 11.541 -5.173 1.00 25.00 C ATOM 697 CE1 PHE B 25 -0.827 11.420 -4.964 1.00 25.00 C ATOM 698 CE2 PHE B 25 1.360 10.424 -4.551 1.00 25.00 C ATOM 699 CZ PHE B 25 -0.045 10.367 -4.450 1.00 25.00 C ATOM 0 H PHE B 25 0.131 13.024 -8.415 1.00 25.00 H new ATOM 0 HA PHE B 25 2.757 14.402 -8.197 1.00 25.00 H new ATOM 0 HB2 PHE B 25 2.832 13.950 -5.890 1.00 25.00 H new ATOM 0 HB3 PHE B 25 1.261 14.668 -6.182 1.00 25.00 H new ATOM 0 HD1 PHE B 25 -0.803 13.324 -5.996 1.00 25.00 H new ATOM 0 HD2 PHE B 25 3.054 11.586 -5.242 1.00 25.00 H new ATOM 0 HE1 PHE B 25 -1.903 11.386 -4.879 1.00 25.00 H new ATOM 0 HE2 PHE B 25 1.965 9.621 -4.157 1.00 25.00 H new ATOM 0 HZ PHE B 25 -0.520 9.519 -3.980 1.00 25.00 H new ATOM 709 N TYR B 26 3.968 12.120 -8.005 1.00 25.00 N ATOM 710 CA TYR B 26 4.662 10.867 -8.256 1.00 25.00 C ATOM 711 C TYR B 26 5.806 10.764 -7.257 1.00 25.00 C ATOM 712 O TYR B 26 6.403 11.771 -6.897 1.00 25.00 O ATOM 713 CB TYR B 26 5.202 10.845 -9.687 1.00 25.00 C ATOM 714 CG TYR B 26 6.096 9.660 -9.954 1.00 25.00 C ATOM 715 CD1 TYR B 26 5.582 8.348 -9.931 1.00 25.00 C ATOM 716 CD2 TYR B 26 7.469 9.841 -10.210 1.00 25.00 C ATOM 717 CE1 TYR B 26 6.434 7.235 -10.149 1.00 25.00 C ATOM 718 CE2 TYR B 26 8.315 8.729 -10.441 1.00 25.00 C ATOM 719 CZ TYR B 26 7.788 7.438 -10.401 1.00 25.00 C ATOM 720 OH TYR B 26 8.619 6.369 -10.611 1.00 25.00 O ATOM 0 H TYR B 26 4.572 12.875 -7.680 1.00 25.00 H new ATOM 0 HA TYR B 26 3.983 10.023 -8.140 1.00 25.00 H new ATOM 0 HB2 TYR B 26 4.366 10.829 -10.386 1.00 25.00 H new ATOM 0 HB3 TYR B 26 5.757 11.764 -9.875 1.00 25.00 H new ATOM 0 HD1 TYR B 26 4.530 8.189 -9.746 1.00 25.00 H new ATOM 0 HD2 TYR B 26 7.881 10.839 -10.230 1.00 25.00 H new ATOM 0 HE1 TYR B 26 6.033 6.233 -10.120 1.00 25.00 H new ATOM 0 HE2 TYR B 26 9.364 8.880 -10.647 1.00 25.00 H new ATOM 0 HH TYR B 26 9.531 6.690 -10.773 1.00 25.00 H new ATOM 730 N THR B 27 6.093 9.553 -6.808 1.00 25.00 N ATOM 731 CA THR B 27 7.173 9.306 -5.853 1.00 25.00 C ATOM 732 C THR B 27 8.257 8.465 -6.556 1.00 25.00 C ATOM 733 O THR B 27 8.046 7.287 -6.882 1.00 25.00 O ATOM 734 CB THR B 27 6.653 8.599 -4.580 1.00 25.00 C ATOM 735 OG1 THR B 27 7.696 7.820 -3.986 1.00 25.00 O ATOM 736 CG2 THR B 27 5.496 7.692 -4.906 1.00 25.00 C ATOM 0 H THR B 27 5.589 8.713 -7.091 1.00 25.00 H new ATOM 0 HA THR B 27 7.596 10.256 -5.528 1.00 25.00 H new ATOM 0 HB THR B 27 6.322 9.369 -3.883 1.00 25.00 H new ATOM 0 HG1 THR B 27 7.356 7.378 -3.180 1.00 25.00 H new ATOM 0 HG21 THR B 27 5.147 7.206 -3.995 1.00 25.00 H new ATOM 0 HG22 THR B 27 4.685 8.278 -5.338 1.00 25.00 H new ATOM 0 HG23 THR B 27 5.817 6.935 -5.621 1.00 25.00 H new ATOM 744 N PRO B 28 9.397 9.088 -6.890 1.00 25.00 N ATOM 745 CA PRO B 28 10.460 8.389 -7.616 1.00 25.00 C ATOM 746 C PRO B 28 11.352 7.554 -6.703 1.00 25.00 C ATOM 747 O PRO B 28 11.491 7.836 -5.517 1.00 25.00 O ATOM 748 CB PRO B 28 11.244 9.542 -8.247 1.00 25.00 C ATOM 749 CG PRO B 28 11.111 10.652 -7.273 1.00 25.00 C ATOM 750 CD PRO B 28 9.740 10.499 -6.647 1.00 25.00 C ATOM 0 HA PRO B 28 10.069 7.669 -8.335 1.00 25.00 H new ATOM 0 HB2 PRO B 28 12.289 9.274 -8.404 1.00 25.00 H new ATOM 0 HB3 PRO B 28 10.835 9.815 -9.220 1.00 25.00 H new ATOM 0 HG2 PRO B 28 11.893 10.602 -6.516 1.00 25.00 H new ATOM 0 HG3 PRO B 28 11.208 11.618 -7.768 1.00 25.00 H new ATOM 0 HD2 PRO B 28 9.759 10.728 -5.581 1.00 25.00 H new ATOM 0 HD3 PRO B 28 9.014 11.171 -7.105 1.00 25.00 H new ATOM 758 N LYS B 29 11.991 6.543 -7.271 1.00 25.00 N ATOM 759 CA LYS B 29 12.951 5.735 -6.526 1.00 25.00 C ATOM 760 C LYS B 29 14.318 6.372 -6.682 1.00 25.00 C ATOM 761 O LYS B 29 15.004 6.148 -7.672 1.00 25.00 O ATOM 762 CB LYS B 29 13.012 4.307 -7.064 1.00 25.00 C ATOM 763 CG LYS B 29 11.773 3.466 -6.770 1.00 25.00 C ATOM 764 CD LYS B 29 11.857 2.054 -7.390 1.00 25.00 C ATOM 765 CE LYS B 29 12.914 1.144 -6.715 1.00 25.00 C ATOM 766 NZ LYS B 29 14.323 1.357 -7.235 1.00 25.00 N ATOM 0 H LYS B 29 11.864 6.261 -8.243 1.00 25.00 H new ATOM 0 HA LYS B 29 12.644 5.693 -5.481 1.00 25.00 H new ATOM 0 HB2 LYS B 29 13.162 4.345 -8.143 1.00 25.00 H new ATOM 0 HB3 LYS B 29 13.883 3.809 -6.638 1.00 25.00 H new ATOM 0 HG2 LYS B 29 11.645 3.379 -5.691 1.00 25.00 H new ATOM 0 HG3 LYS B 29 10.891 3.977 -7.156 1.00 25.00 H new ATOM 0 HD2 LYS B 29 10.880 1.576 -7.320 1.00 25.00 H new ATOM 0 HD3 LYS B 29 12.092 2.145 -8.451 1.00 25.00 H new ATOM 0 HE2 LYS B 29 12.902 1.324 -5.640 1.00 25.00 H new ATOM 0 HE3 LYS B 29 12.634 0.102 -6.867 1.00 25.00 H new ATOM 0 HZ1 LYS B 29 14.773 0.435 -7.406 1.00 25.00 H new ATOM 0 HZ2 LYS B 29 14.287 1.895 -8.125 1.00 25.00 H new ATOM 0 HZ3 LYS B 29 14.876 1.888 -6.532 1.00 25.00 H new ATOM 780 N THR B 30 14.701 7.177 -5.710 1.00 25.00 N ATOM 781 CA THR B 30 16.005 7.833 -5.712 1.00 25.00 C ATOM 782 C THR B 30 17.111 6.908 -5.210 1.00 25.00 C ATOM 783 O THR B 30 16.931 5.827 -4.687 1.00 25.00 O ATOM 784 CB THR B 30 15.929 9.107 -4.857 1.00 25.00 C ATOM 785 OG1 THR B 30 15.287 8.773 -3.632 1.00 25.00 O ATOM 786 CG2 THR B 30 15.055 10.169 -5.549 1.00 25.00 C ATOM 787 OXT THR B 30 18.303 7.344 -5.450 1.00 25.00 O ATOM 0 H THR B 30 14.124 7.397 -4.898 1.00 25.00 H new ATOM 0 HA THR B 30 16.258 8.095 -6.739 1.00 25.00 H new ATOM 0 HB THR B 30 16.936 9.496 -4.706 1.00 25.00 H new ATOM 0 HG1 THR B 30 15.227 9.571 -3.066 1.00 25.00 H new ATOM 0 HG21 THR B 30 15.012 11.065 -4.930 1.00 25.00 H new ATOM 0 HG22 THR B 30 15.485 10.419 -6.519 1.00 25.00 H new ATOM 0 HG23 THR B 30 14.048 9.776 -5.689 1.00 25.00 H new TER 796 THR B 30