USER MOD reduce.3.24.130724 H: found=0, std=0, add=496, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 494 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -167:sc= -0.0415 (180deg=-0.278) USER MOD Single : A 6 SER OG : rot 25:sc= 0.673 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 MET CE :methyl 147:sc= -1.07 (180deg=-3.59!) USER MOD Single : A 17 LYS NZ :NH3+ -142:sc= -0.729 (180deg=-3.71!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= 0 K(o=0,f=-0.93) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 130:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 MET CE :methyl -178:sc= 0 (180deg=-0.00416) USER MOD Single : A 31 GLN : amide:sc= -4.61! C(o=-4.6!,f=-10!) USER MOD Single : A 32 ASN : amide:sc= -0.173 K(o=-0.17,f=-1.8!) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.0016 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ -154:sc= 0.123 (180deg=-0.229) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= -0.0652 X(o=-0.065,f=-0.37) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.932 -3.817 1.190 1.00 35.24 N ATOM 2 CA MET A 1 0.676 -4.350 0.673 1.00 3.04 C ATOM 3 C MET A 1 0.846 -4.850 -0.758 1.00 24.25 C ATOM 4 O MET A 1 0.112 -5.729 -1.209 1.00 23.40 O ATOM 5 CB MET A 1 -0.416 -3.281 0.726 1.00 54.53 C ATOM 6 CG MET A 1 -1.045 -3.121 2.101 1.00 50.35 C ATOM 7 SD MET A 1 -2.728 -2.478 2.024 1.00 20.03 S ATOM 8 CE MET A 1 -3.666 -3.999 1.903 1.00 30.02 C ATOM 0 H1 MET A 1 1.857 -3.688 2.219 1.00 35.24 H new ATOM 0 H2 MET A 1 2.704 -4.482 0.980 1.00 35.24 H new ATOM 0 H3 MET A 1 2.132 -2.901 0.740 1.00 35.24 H new ATOM 0 HA MET A 1 0.381 -5.191 1.300 1.00 3.04 H new ATOM 0 HB2 MET A 1 0.007 -2.326 0.416 1.00 54.53 H new ATOM 0 HB3 MET A 1 -1.195 -3.533 0.006 1.00 54.53 H new ATOM 0 HG2 MET A 1 -1.052 -4.086 2.608 1.00 50.35 H new ATOM 0 HG3 MET A 1 -0.431 -2.450 2.701 1.00 50.35 H new ATOM 0 HE1 MET A 1 -4.730 -3.767 1.847 1.00 30.02 H new ATOM 0 HE2 MET A 1 -3.365 -4.542 1.007 1.00 30.02 H new ATOM 0 HE3 MET A 1 -3.475 -4.615 2.781 1.00 30.02 H new ATOM 18 N ASP A 2 1.818 -4.285 -1.466 1.00 13.25 N ATOM 19 CA ASP A 2 2.084 -4.674 -2.845 1.00 63.24 C ATOM 20 C ASP A 2 3.560 -4.490 -3.186 1.00 72.55 C ATOM 21 O ASP A 2 4.136 -3.430 -2.942 1.00 30.12 O ATOM 22 CB ASP A 2 1.220 -3.855 -3.805 1.00 43.31 C ATOM 23 CG ASP A 2 1.288 -2.367 -3.519 1.00 32.55 C ATOM 24 OD1 ASP A 2 2.103 -1.675 -4.163 1.00 62.03 O ATOM 25 OD2 ASP A 2 0.525 -1.896 -2.650 1.00 54.22 O ATOM 0 H ASP A 2 2.435 -3.556 -1.107 1.00 13.25 H new ATOM 0 HA ASP A 2 1.833 -5.729 -2.954 1.00 63.24 H new ATOM 0 HB2 ASP A 2 1.544 -4.040 -4.829 1.00 43.31 H new ATOM 0 HB3 ASP A 2 0.185 -4.189 -3.733 1.00 43.31 H new ATOM 30 N ILE A 3 4.165 -5.530 -3.751 1.00 41.22 N ATOM 31 CA ILE A 3 5.573 -5.482 -4.125 1.00 60.45 C ATOM 32 C ILE A 3 5.739 -5.114 -5.596 1.00 31.20 C ATOM 33 O ILE A 3 4.789 -5.186 -6.375 1.00 73.15 O ATOM 34 CB ILE A 3 6.271 -6.830 -3.863 1.00 72.15 C ATOM 35 CG1 ILE A 3 5.657 -7.518 -2.643 1.00 34.52 C ATOM 36 CG2 ILE A 3 7.765 -6.623 -3.666 1.00 21.32 C ATOM 37 CD1 ILE A 3 6.280 -8.860 -2.328 1.00 63.22 C ATOM 0 H ILE A 3 3.703 -6.415 -3.959 1.00 41.22 H new ATOM 0 HA ILE A 3 6.038 -4.715 -3.506 1.00 60.45 H new ATOM 0 HB ILE A 3 6.125 -7.473 -4.731 1.00 72.15 H new ATOM 0 HG12 ILE A 3 5.763 -6.865 -1.777 1.00 34.52 H new ATOM 0 HG13 ILE A 3 4.589 -7.653 -2.812 1.00 34.52 H new ATOM 0 HG21 ILE A 3 8.244 -7.584 -3.482 1.00 21.32 H new ATOM 0 HG22 ILE A 3 8.191 -6.171 -4.562 1.00 21.32 H new ATOM 0 HG23 ILE A 3 7.932 -5.965 -2.813 1.00 21.32 H new ATOM 0 HD11 ILE A 3 5.795 -9.289 -1.451 1.00 63.22 H new ATOM 0 HD12 ILE A 3 6.151 -9.530 -3.178 1.00 63.22 H new ATOM 0 HD13 ILE A 3 7.343 -8.729 -2.127 1.00 63.22 H new ATOM 49 N ASP A 4 6.952 -4.722 -5.968 1.00 40.45 N ATOM 50 CA ASP A 4 7.244 -4.345 -7.347 1.00 1.23 C ATOM 51 C ASP A 4 8.707 -4.614 -7.685 1.00 41.41 C ATOM 52 O ASP A 4 9.611 -4.149 -6.990 1.00 63.52 O ATOM 53 CB ASP A 4 6.918 -2.868 -7.574 1.00 41.11 C ATOM 54 CG ASP A 4 5.440 -2.570 -7.415 1.00 2.15 C ATOM 55 OD1 ASP A 4 5.056 -2.019 -6.361 1.00 71.33 O ATOM 56 OD2 ASP A 4 4.668 -2.886 -8.343 1.00 70.52 O ATOM 0 H ASP A 4 7.749 -4.657 -5.335 1.00 40.45 H new ATOM 0 HA ASP A 4 6.621 -4.952 -8.004 1.00 1.23 H new ATOM 0 HB2 ASP A 4 7.486 -2.261 -6.869 1.00 41.11 H new ATOM 0 HB3 ASP A 4 7.239 -2.578 -8.575 1.00 41.11 H new ATOM 61 N PHE A 5 8.933 -5.367 -8.756 1.00 55.25 N ATOM 62 CA PHE A 5 10.286 -5.699 -9.186 1.00 72.41 C ATOM 63 C PHE A 5 10.853 -4.609 -10.091 1.00 33.14 C ATOM 64 O PHE A 5 12.068 -4.466 -10.221 1.00 43.14 O ATOM 65 CB PHE A 5 10.295 -7.042 -9.920 1.00 21.23 C ATOM 66 CG PHE A 5 11.609 -7.357 -10.576 1.00 73.42 C ATOM 67 CD1 PHE A 5 12.785 -7.343 -9.844 1.00 61.34 C ATOM 68 CD2 PHE A 5 11.667 -7.667 -11.925 1.00 61.45 C ATOM 69 CE1 PHE A 5 13.996 -7.633 -10.445 1.00 74.24 C ATOM 70 CE2 PHE A 5 12.874 -7.959 -12.532 1.00 5.42 C ATOM 71 CZ PHE A 5 14.040 -7.940 -11.791 1.00 63.32 C ATOM 0 H PHE A 5 8.196 -5.759 -9.342 1.00 55.25 H new ATOM 0 HA PHE A 5 10.914 -5.773 -8.298 1.00 72.41 H new ATOM 0 HB2 PHE A 5 10.051 -7.835 -9.213 1.00 21.23 H new ATOM 0 HB3 PHE A 5 9.511 -7.038 -10.678 1.00 21.23 H new ATOM 0 HD1 PHE A 5 12.756 -7.103 -8.791 1.00 61.34 H new ATOM 0 HD2 PHE A 5 10.759 -7.681 -12.509 1.00 61.45 H new ATOM 0 HE1 PHE A 5 14.906 -7.620 -9.863 1.00 74.24 H new ATOM 0 HE2 PHE A 5 12.906 -8.202 -13.584 1.00 5.42 H new ATOM 0 HZ PHE A 5 14.985 -8.165 -12.264 1.00 63.32 H new ATOM 81 N SER A 6 9.963 -3.843 -10.713 1.00 53.12 N ATOM 82 CA SER A 6 10.373 -2.768 -11.609 1.00 61.11 C ATOM 83 C SER A 6 10.005 -1.406 -11.028 1.00 71.31 C ATOM 84 O SER A 6 8.837 -1.130 -10.752 1.00 31.43 O ATOM 85 CB SER A 6 9.721 -2.943 -12.982 1.00 13.21 C ATOM 86 OG SER A 6 8.320 -2.742 -12.910 1.00 33.40 O ATOM 0 H SER A 6 8.953 -3.947 -10.613 1.00 53.12 H new ATOM 0 HA SER A 6 11.456 -2.815 -11.721 1.00 61.11 H new ATOM 0 HB2 SER A 6 10.157 -2.236 -13.688 1.00 13.21 H new ATOM 0 HB3 SER A 6 9.929 -3.943 -13.362 1.00 13.21 H new ATOM 0 HG SER A 6 8.111 -2.170 -12.142 1.00 33.40 H new ATOM 92 N THR A 7 11.011 -0.556 -10.845 1.00 32.52 N ATOM 93 CA THR A 7 10.795 0.776 -10.296 1.00 1.21 C ATOM 94 C THR A 7 11.787 1.777 -10.877 1.00 2.34 C ATOM 95 O THR A 7 11.969 2.870 -10.339 1.00 22.02 O ATOM 96 CB THR A 7 10.920 0.778 -8.761 1.00 2.44 C ATOM 97 OG1 THR A 7 11.567 -0.421 -8.320 1.00 45.51 O ATOM 98 CG2 THR A 7 9.552 0.892 -8.106 1.00 74.43 C ATOM 0 H THR A 7 11.983 -0.767 -11.069 1.00 32.52 H new ATOM 0 HA THR A 7 9.782 1.071 -10.571 1.00 1.21 H new ATOM 0 HB THR A 7 11.518 1.641 -8.469 1.00 2.44 H new ATOM 0 HG1 THR A 7 11.644 -0.411 -7.343 1.00 45.51 H new ATOM 0 HG21 THR A 7 9.666 0.891 -7.022 1.00 74.43 H new ATOM 0 HG22 THR A 7 9.075 1.820 -8.420 1.00 74.43 H new ATOM 0 HG23 THR A 7 8.933 0.046 -8.406 1.00 74.43 H new ATOM 106 N CYS A 8 12.427 1.398 -11.978 1.00 54.52 N ATOM 107 CA CYS A 8 13.401 2.263 -12.633 1.00 53.01 C ATOM 108 C CYS A 8 13.209 2.250 -14.147 1.00 33.11 C ATOM 109 O CYS A 8 12.648 1.306 -14.704 1.00 1.44 O ATOM 110 CB CYS A 8 14.823 1.820 -12.285 1.00 30.35 C ATOM 111 SG CYS A 8 16.076 3.129 -12.467 1.00 12.51 S ATOM 0 H CYS A 8 12.289 0.497 -12.436 1.00 54.52 H new ATOM 0 HA CYS A 8 13.246 3.280 -12.273 1.00 53.01 H new ATOM 0 HB2 CYS A 8 14.838 1.458 -11.257 1.00 30.35 H new ATOM 0 HB3 CYS A 8 15.096 0.979 -12.923 1.00 30.35 H new ATOM 116 N ALA A 9 13.679 3.304 -14.807 1.00 35.45 N ATOM 117 CA ALA A 9 13.561 3.413 -16.255 1.00 71.43 C ATOM 118 C ALA A 9 14.484 2.422 -16.957 1.00 52.00 C ATOM 119 O ALA A 9 14.359 2.187 -18.159 1.00 41.51 O ATOM 120 CB ALA A 9 13.869 4.833 -16.704 1.00 41.34 C ATOM 0 H ALA A 9 14.145 4.094 -14.361 1.00 35.45 H new ATOM 0 HA ALA A 9 12.534 3.171 -16.530 1.00 71.43 H new ATOM 0 HB1 ALA A 9 13.777 4.900 -17.788 1.00 41.34 H new ATOM 0 HB2 ALA A 9 13.166 5.523 -16.237 1.00 41.34 H new ATOM 0 HB3 ALA A 9 14.885 5.095 -16.409 1.00 41.34 H new ATOM 126 N ARG A 10 15.410 1.844 -16.199 1.00 40.21 N ATOM 127 CA ARG A 10 16.355 0.880 -16.749 1.00 43.34 C ATOM 128 C ARG A 10 15.840 -0.546 -16.577 1.00 50.41 C ATOM 129 O ARG A 10 16.620 -1.496 -16.526 1.00 42.11 O ATOM 130 CB ARG A 10 17.719 1.027 -16.071 1.00 73.33 C ATOM 131 CG ARG A 10 18.202 2.465 -15.980 1.00 21.23 C ATOM 132 CD ARG A 10 18.352 3.091 -17.357 1.00 65.35 C ATOM 133 NE ARG A 10 19.297 4.205 -17.352 1.00 71.34 N ATOM 134 CZ ARG A 10 18.999 5.419 -16.903 1.00 71.32 C ATOM 135 NH1 ARG A 10 17.789 5.674 -16.425 1.00 31.33 N ATOM 136 NH2 ARG A 10 19.912 6.381 -16.932 1.00 24.34 N ATOM 0 H ARG A 10 15.526 2.027 -15.202 1.00 40.21 H new ATOM 0 HA ARG A 10 16.463 1.082 -17.815 1.00 43.34 H new ATOM 0 HB2 ARG A 10 17.663 0.607 -15.067 1.00 73.33 H new ATOM 0 HB3 ARG A 10 18.454 0.440 -16.621 1.00 73.33 H new ATOM 0 HG2 ARG A 10 17.498 3.050 -15.388 1.00 21.23 H new ATOM 0 HG3 ARG A 10 19.159 2.496 -15.459 1.00 21.23 H new ATOM 0 HD2 ARG A 10 18.688 2.333 -18.065 1.00 65.35 H new ATOM 0 HD3 ARG A 10 17.380 3.442 -17.704 1.00 65.35 H new ATOM 0 HE ARG A 10 20.237 4.042 -17.713 1.00 71.34 H new ATOM 0 HH11 ARG A 10 17.084 4.937 -16.401 1.00 31.33 H new ATOM 0 HH12 ARG A 10 17.563 6.607 -16.081 1.00 31.33 H new ATOM 0 HH21 ARG A 10 20.844 6.189 -17.299 1.00 24.34 H new ATOM 0 HH22 ARG A 10 19.682 7.313 -16.587 1.00 24.34 H new ATOM 150 N MET A 11 14.521 -0.686 -16.488 1.00 25.04 N ATOM 151 CA MET A 11 13.902 -1.996 -16.322 1.00 4.03 C ATOM 152 C MET A 11 13.536 -2.599 -17.674 1.00 32.20 C ATOM 153 O MET A 11 13.811 -2.013 -18.721 1.00 10.21 O ATOM 154 CB MET A 11 12.654 -1.886 -15.444 1.00 22.31 C ATOM 155 CG MET A 11 12.860 -2.399 -14.028 1.00 23.12 C ATOM 156 SD MET A 11 12.735 -4.194 -13.914 1.00 23.20 S ATOM 157 CE MET A 11 14.443 -4.669 -14.171 1.00 60.41 C ATOM 0 H MET A 11 13.861 0.091 -16.528 1.00 25.04 H new ATOM 0 HA MET A 11 14.623 -2.652 -15.835 1.00 4.03 H new ATOM 0 HB2 MET A 11 12.340 -0.843 -15.402 1.00 22.31 H new ATOM 0 HB3 MET A 11 11.842 -2.445 -15.909 1.00 22.31 H new ATOM 0 HG2 MET A 11 13.840 -2.084 -13.671 1.00 23.12 H new ATOM 0 HG3 MET A 11 12.119 -1.945 -13.370 1.00 23.12 H new ATOM 0 HE1 MET A 11 14.662 -5.566 -13.593 1.00 60.41 H new ATOM 0 HE2 MET A 11 14.610 -4.870 -15.229 1.00 60.41 H new ATOM 0 HE3 MET A 11 15.098 -3.860 -13.848 1.00 60.41 H new ATOM 167 N ASP A 12 12.915 -3.773 -17.644 1.00 75.01 N ATOM 168 CA ASP A 12 12.510 -4.455 -18.868 1.00 33.22 C ATOM 169 C ASP A 12 11.378 -3.703 -19.561 1.00 11.45 C ATOM 170 O ASP A 12 11.077 -3.950 -20.728 1.00 61.23 O ATOM 171 CB ASP A 12 12.072 -5.887 -18.558 1.00 34.34 C ATOM 172 CG ASP A 12 12.753 -6.907 -19.449 1.00 74.02 C ATOM 173 OD1 ASP A 12 13.146 -6.541 -20.577 1.00 22.03 O ATOM 174 OD2 ASP A 12 12.893 -8.071 -19.019 1.00 53.12 O ATOM 0 H ASP A 12 12.681 -4.272 -16.786 1.00 75.01 H new ATOM 0 HA ASP A 12 13.368 -4.483 -19.540 1.00 33.22 H new ATOM 0 HB2 ASP A 12 12.294 -6.114 -17.515 1.00 34.34 H new ATOM 0 HB3 ASP A 12 10.992 -5.967 -18.679 1.00 34.34 H new ATOM 179 N VAL A 13 10.753 -2.783 -18.832 1.00 52.12 N ATOM 180 CA VAL A 13 9.654 -1.994 -19.376 1.00 40.13 C ATOM 181 C VAL A 13 10.071 -0.543 -19.587 1.00 42.22 C ATOM 182 O VAL A 13 9.828 0.327 -18.751 1.00 12.04 O ATOM 183 CB VAL A 13 8.423 -2.033 -18.451 1.00 60.44 C ATOM 184 CG1 VAL A 13 7.664 -3.340 -18.627 1.00 64.04 C ATOM 185 CG2 VAL A 13 8.840 -1.841 -17.001 1.00 42.33 C ATOM 0 H VAL A 13 10.989 -2.566 -17.864 1.00 52.12 H new ATOM 0 HA VAL A 13 9.392 -2.437 -20.337 1.00 40.13 H new ATOM 0 HB VAL A 13 7.758 -1.214 -18.726 1.00 60.44 H new ATOM 0 HG11 VAL A 13 6.798 -3.350 -17.966 1.00 64.04 H new ATOM 0 HG12 VAL A 13 7.332 -3.432 -19.661 1.00 64.04 H new ATOM 0 HG13 VAL A 13 8.318 -4.177 -18.380 1.00 64.04 H new ATOM 0 HG21 VAL A 13 7.958 -1.871 -16.362 1.00 42.33 H new ATOM 0 HG22 VAL A 13 9.526 -2.637 -16.711 1.00 42.33 H new ATOM 0 HG23 VAL A 13 9.336 -0.877 -16.890 1.00 42.33 H new ATOM 195 N PRO A 14 10.715 -0.273 -20.733 1.00 10.24 N ATOM 196 CA PRO A 14 11.179 1.073 -21.081 1.00 41.24 C ATOM 197 C PRO A 14 10.026 2.022 -21.392 1.00 21.34 C ATOM 198 O PRO A 14 10.226 3.227 -21.545 1.00 11.11 O ATOM 199 CB PRO A 14 12.032 0.842 -22.331 1.00 71.53 C ATOM 200 CG PRO A 14 11.493 -0.412 -22.930 1.00 44.33 C ATOM 201 CD PRO A 14 11.039 -1.261 -21.775 1.00 52.35 C ATOM 0 HA PRO A 14 11.720 1.542 -20.259 1.00 41.24 H new ATOM 0 HB2 PRO A 14 11.952 1.679 -23.025 1.00 71.53 H new ATOM 0 HB3 PRO A 14 13.087 0.738 -22.077 1.00 71.53 H new ATOM 0 HG2 PRO A 14 10.665 -0.197 -23.606 1.00 44.33 H new ATOM 0 HG3 PRO A 14 12.257 -0.925 -23.515 1.00 44.33 H new ATOM 0 HD2 PRO A 14 10.172 -1.867 -22.038 1.00 52.35 H new ATOM 0 HD3 PRO A 14 11.820 -1.947 -21.449 1.00 52.35 H new ATOM 209 N ILE A 15 8.821 1.470 -21.482 1.00 54.42 N ATOM 210 CA ILE A 15 7.636 2.269 -21.772 1.00 70.55 C ATOM 211 C ILE A 15 7.472 3.398 -20.761 1.00 24.33 C ATOM 212 O ILE A 15 7.191 3.158 -19.586 1.00 35.51 O ATOM 213 CB ILE A 15 6.361 1.405 -21.771 1.00 71.43 C ATOM 214 CG1 ILE A 15 6.492 0.261 -22.780 1.00 3.43 C ATOM 215 CG2 ILE A 15 5.142 2.259 -22.087 1.00 21.14 C ATOM 216 CD1 ILE A 15 5.381 -0.760 -22.683 1.00 52.04 C ATOM 0 H ILE A 15 8.639 0.474 -21.359 1.00 54.42 H new ATOM 0 HA ILE A 15 7.778 2.693 -22.766 1.00 70.55 H new ATOM 0 HB ILE A 15 6.232 0.975 -20.777 1.00 71.43 H new ATOM 0 HG12 ILE A 15 6.506 0.676 -23.788 1.00 3.43 H new ATOM 0 HG13 ILE A 15 7.448 -0.239 -22.628 1.00 3.43 H new ATOM 0 HG21 ILE A 15 4.249 1.634 -22.083 1.00 21.14 H new ATOM 0 HG22 ILE A 15 5.041 3.041 -21.335 1.00 21.14 H new ATOM 0 HG23 ILE A 15 5.262 2.714 -23.070 1.00 21.14 H new ATOM 0 HD11 ILE A 15 5.538 -1.541 -23.427 1.00 52.04 H new ATOM 0 HD12 ILE A 15 5.380 -1.203 -21.687 1.00 52.04 H new ATOM 0 HD13 ILE A 15 4.423 -0.273 -22.865 1.00 52.04 H new ATOM 228 N LEU A 16 7.649 4.630 -21.224 1.00 63.12 N ATOM 229 CA LEU A 16 7.519 5.798 -20.360 1.00 44.33 C ATOM 230 C LEU A 16 8.585 5.789 -19.269 1.00 14.34 C ATOM 231 O LEU A 16 8.284 5.576 -18.094 1.00 33.40 O ATOM 232 CB LEU A 16 6.126 5.838 -19.729 1.00 45.34 C ATOM 233 CG LEU A 16 4.952 5.601 -20.680 1.00 22.14 C ATOM 234 CD1 LEU A 16 3.701 5.228 -19.899 1.00 62.04 C ATOM 235 CD2 LEU A 16 4.701 6.834 -21.536 1.00 24.42 C ATOM 0 H LEU A 16 7.883 4.846 -22.193 1.00 63.12 H new ATOM 0 HA LEU A 16 7.659 6.689 -20.971 1.00 44.33 H new ATOM 0 HB2 LEU A 16 6.085 5.088 -18.939 1.00 45.34 H new ATOM 0 HB3 LEU A 16 5.992 6.810 -19.253 1.00 45.34 H new ATOM 0 HG LEU A 16 5.205 4.771 -21.340 1.00 22.14 H new ATOM 0 HD11 LEU A 16 2.876 5.063 -20.591 1.00 62.04 H new ATOM 0 HD12 LEU A 16 3.885 4.317 -19.330 1.00 62.04 H new ATOM 0 HD13 LEU A 16 3.445 6.037 -19.215 1.00 62.04 H new ATOM 0 HD21 LEU A 16 3.862 6.647 -22.206 1.00 24.42 H new ATOM 0 HD22 LEU A 16 4.469 7.683 -20.892 1.00 24.42 H new ATOM 0 HD23 LEU A 16 5.592 7.057 -22.123 1.00 24.42 H new ATOM 247 N LYS A 17 9.831 6.025 -19.664 1.00 22.15 N ATOM 248 CA LYS A 17 10.942 6.048 -18.719 1.00 60.24 C ATOM 249 C LYS A 17 10.697 7.072 -17.616 1.00 31.34 C ATOM 250 O LYS A 17 11.013 6.831 -16.450 1.00 40.51 O ATOM 251 CB LYS A 17 12.250 6.369 -19.446 1.00 53.25 C ATOM 252 CG LYS A 17 12.538 5.445 -20.617 1.00 54.42 C ATOM 253 CD LYS A 17 13.060 4.098 -20.149 1.00 21.43 C ATOM 254 CE LYS A 17 14.048 3.507 -21.143 1.00 24.14 C ATOM 255 NZ LYS A 17 13.523 3.544 -22.536 1.00 22.24 N ATOM 0 H LYS A 17 10.097 6.203 -20.632 1.00 22.15 H new ATOM 0 HA LYS A 17 11.019 5.061 -18.263 1.00 60.24 H new ATOM 0 HB2 LYS A 17 12.213 7.397 -19.806 1.00 53.25 H new ATOM 0 HB3 LYS A 17 13.075 6.310 -18.736 1.00 53.25 H new ATOM 0 HG2 LYS A 17 11.628 5.301 -21.200 1.00 54.42 H new ATOM 0 HG3 LYS A 17 13.270 5.910 -21.277 1.00 54.42 H new ATOM 0 HD2 LYS A 17 13.543 4.211 -19.178 1.00 21.43 H new ATOM 0 HD3 LYS A 17 12.225 3.411 -20.012 1.00 21.43 H new ATOM 0 HE2 LYS A 17 14.987 4.059 -21.094 1.00 24.14 H new ATOM 0 HE3 LYS A 17 14.270 2.476 -20.866 1.00 24.14 H new ATOM 0 HZ1 LYS A 17 13.804 2.676 -23.036 1.00 22.24 H new ATOM 0 HZ2 LYS A 17 12.485 3.611 -22.514 1.00 22.24 H new ATOM 0 HZ3 LYS A 17 13.913 4.371 -23.032 1.00 22.24 H new ATOM 269 N LYS A 18 10.130 8.214 -17.990 1.00 24.14 N ATOM 270 CA LYS A 18 9.840 9.274 -17.032 1.00 33.03 C ATOM 271 C LYS A 18 8.965 8.755 -15.895 1.00 2.13 C ATOM 272 O LYS A 18 9.129 9.153 -14.742 1.00 24.12 O ATOM 273 CB LYS A 18 9.144 10.445 -17.731 1.00 25.55 C ATOM 274 CG LYS A 18 9.592 11.806 -17.227 1.00 60.03 C ATOM 275 CD LYS A 18 10.929 12.210 -17.826 1.00 30.21 C ATOM 276 CE LYS A 18 11.505 13.433 -17.129 1.00 22.44 C ATOM 277 NZ LYS A 18 12.662 14.003 -17.874 1.00 33.52 N ATOM 0 H LYS A 18 9.862 8.429 -18.950 1.00 24.14 H new ATOM 0 HA LYS A 18 10.785 9.619 -16.612 1.00 33.03 H new ATOM 0 HB2 LYS A 18 9.334 10.383 -18.802 1.00 25.55 H new ATOM 0 HB3 LYS A 18 8.067 10.352 -17.592 1.00 25.55 H new ATOM 0 HG2 LYS A 18 8.839 12.554 -17.477 1.00 60.03 H new ATOM 0 HG3 LYS A 18 9.671 11.785 -16.140 1.00 60.03 H new ATOM 0 HD2 LYS A 18 11.631 11.380 -17.746 1.00 30.21 H new ATOM 0 HD3 LYS A 18 10.804 12.420 -18.888 1.00 30.21 H new ATOM 0 HE2 LYS A 18 10.729 14.192 -17.027 1.00 22.44 H new ATOM 0 HE3 LYS A 18 11.820 13.162 -16.121 1.00 22.44 H new ATOM 0 HZ1 LYS A 18 13.026 14.835 -17.367 1.00 33.52 H new ATOM 0 HZ2 LYS A 18 13.413 13.287 -17.949 1.00 33.52 H new ATOM 0 HZ3 LYS A 18 12.356 14.285 -18.827 1.00 33.52 H new ATOM 291 N ALA A 19 8.037 7.864 -16.227 1.00 61.04 N ATOM 292 CA ALA A 19 7.140 7.288 -15.234 1.00 14.35 C ATOM 293 C ALA A 19 7.910 6.455 -14.215 1.00 62.45 C ATOM 294 O ALA A 19 7.662 6.541 -13.013 1.00 45.32 O ATOM 295 CB ALA A 19 6.073 6.442 -15.913 1.00 1.13 C ATOM 0 H ALA A 19 7.887 7.525 -17.177 1.00 61.04 H new ATOM 0 HA ALA A 19 6.655 8.106 -14.702 1.00 14.35 H new ATOM 0 HB1 ALA A 19 5.410 6.018 -15.159 1.00 1.13 H new ATOM 0 HB2 ALA A 19 5.495 7.065 -16.596 1.00 1.13 H new ATOM 0 HB3 ALA A 19 6.549 5.636 -16.472 1.00 1.13 H new ATOM 301 N ALA A 20 8.845 5.647 -14.705 1.00 71.32 N ATOM 302 CA ALA A 20 9.652 4.798 -13.838 1.00 4.34 C ATOM 303 C ALA A 20 10.329 5.618 -12.744 1.00 32.33 C ATOM 304 O ALA A 20 10.311 5.240 -11.573 1.00 21.23 O ATOM 305 CB ALA A 20 10.692 4.045 -14.655 1.00 12.24 C ATOM 0 H ALA A 20 9.062 5.563 -15.698 1.00 71.32 H new ATOM 0 HA ALA A 20 8.990 4.076 -13.359 1.00 4.34 H new ATOM 0 HB1 ALA A 20 11.287 3.415 -13.994 1.00 12.24 H new ATOM 0 HB2 ALA A 20 10.191 3.422 -15.396 1.00 12.24 H new ATOM 0 HB3 ALA A 20 11.343 4.758 -15.161 1.00 12.24 H new ATOM 311 N GLN A 21 10.924 6.740 -13.134 1.00 65.11 N ATOM 312 CA GLN A 21 11.608 7.611 -12.186 1.00 10.24 C ATOM 313 C GLN A 21 10.622 8.206 -11.185 1.00 45.22 C ATOM 314 O GLN A 21 10.977 8.486 -10.041 1.00 32.43 O ATOM 315 CB GLN A 21 12.340 8.732 -12.926 1.00 62.41 C ATOM 316 CG GLN A 21 13.843 8.523 -13.012 1.00 5.00 C ATOM 317 CD GLN A 21 14.496 9.404 -14.059 1.00 1.11 C ATOM 318 OE1 GLN A 21 13.857 10.290 -14.627 1.00 70.14 O ATOM 319 NE2 GLN A 21 15.776 9.166 -14.319 1.00 61.54 N ATOM 0 H GLN A 21 10.946 7.067 -14.100 1.00 65.11 H new ATOM 0 HA GLN A 21 12.336 7.011 -11.640 1.00 10.24 H new ATOM 0 HB2 GLN A 21 11.935 8.816 -13.934 1.00 62.41 H new ATOM 0 HB3 GLN A 21 12.141 9.678 -12.423 1.00 62.41 H new ATOM 0 HG2 GLN A 21 14.291 8.728 -12.040 1.00 5.00 H new ATOM 0 HG3 GLN A 21 14.048 7.478 -13.243 1.00 5.00 H new ATOM 0 HE21 GLN A 21 16.267 8.421 -13.824 1.00 61.54 H new ATOM 0 HE22 GLN A 21 16.268 9.728 -15.013 1.00 61.54 H new ATOM 328 N GLY A 22 9.383 8.398 -11.626 1.00 35.14 N ATOM 329 CA GLY A 22 8.365 8.959 -10.756 1.00 40.13 C ATOM 330 C GLY A 22 8.205 8.174 -9.469 1.00 54.34 C ATOM 331 O GLY A 22 7.826 8.730 -8.438 1.00 14.15 O ATOM 0 H GLY A 22 9.066 8.175 -12.569 1.00 35.14 H new ATOM 0 HA2 GLY A 22 8.623 9.991 -10.519 1.00 40.13 H new ATOM 0 HA3 GLY A 22 7.412 8.982 -11.285 1.00 40.13 H new ATOM 335 N LEU A 23 8.492 6.879 -9.529 1.00 34.30 N ATOM 336 CA LEU A 23 8.376 6.015 -8.359 1.00 73.22 C ATOM 337 C LEU A 23 9.503 6.286 -7.368 1.00 13.31 C ATOM 338 O LEU A 23 9.615 5.617 -6.341 1.00 22.34 O ATOM 339 CB LEU A 23 8.396 4.545 -8.782 1.00 63.12 C ATOM 340 CG LEU A 23 7.439 4.157 -9.910 1.00 1.50 C ATOM 341 CD1 LEU A 23 7.389 2.646 -10.072 1.00 11.21 C ATOM 342 CD2 LEU A 23 6.048 4.714 -9.643 1.00 70.34 C ATOM 0 H LEU A 23 8.807 6.404 -10.375 1.00 34.30 H new ATOM 0 HA LEU A 23 7.427 6.233 -7.870 1.00 73.22 H new ATOM 0 HB2 LEU A 23 9.410 4.290 -9.090 1.00 63.12 H new ATOM 0 HB3 LEU A 23 8.164 3.934 -7.910 1.00 63.12 H new ATOM 0 HG LEU A 23 7.809 4.588 -10.840 1.00 1.50 H new ATOM 0 HD11 LEU A 23 6.703 2.389 -10.879 1.00 11.21 H new ATOM 0 HD12 LEU A 23 8.385 2.272 -10.310 1.00 11.21 H new ATOM 0 HD13 LEU A 23 7.043 2.192 -9.143 1.00 11.21 H new ATOM 0 HD21 LEU A 23 5.380 4.429 -10.455 1.00 70.34 H new ATOM 0 HD22 LEU A 23 5.669 4.312 -8.703 1.00 70.34 H new ATOM 0 HD23 LEU A 23 6.097 5.801 -9.579 1.00 70.34 H new ATOM 354 N CYS A 24 10.334 7.274 -7.681 1.00 42.34 N ATOM 355 CA CYS A 24 11.452 7.637 -6.818 1.00 73.32 C ATOM 356 C CYS A 24 11.349 9.095 -6.379 1.00 63.41 C ATOM 357 O CYS A 24 11.403 9.400 -5.187 1.00 73.43 O ATOM 358 CB CYS A 24 12.779 7.403 -7.542 1.00 62.21 C ATOM 359 SG CYS A 24 13.895 6.241 -6.692 1.00 21.23 S ATOM 0 H CYS A 24 10.254 7.838 -8.527 1.00 42.34 H new ATOM 0 HA CYS A 24 11.414 7.005 -5.931 1.00 73.32 H new ATOM 0 HB2 CYS A 24 12.573 7.025 -8.543 1.00 62.21 H new ATOM 0 HB3 CYS A 24 13.289 8.359 -7.661 1.00 62.21 H new ATOM 364 N ILE A 25 11.202 9.990 -7.350 1.00 33.03 N ATOM 365 CA ILE A 25 11.090 11.415 -7.063 1.00 64.24 C ATOM 366 C ILE A 25 9.804 11.724 -6.306 1.00 13.52 C ATOM 367 O ILE A 25 9.817 12.438 -5.302 1.00 54.34 O ATOM 368 CB ILE A 25 11.127 12.253 -8.355 1.00 11.12 C ATOM 369 CG1 ILE A 25 12.429 11.999 -9.117 1.00 71.22 C ATOM 370 CG2 ILE A 25 10.977 13.732 -8.031 1.00 33.02 C ATOM 371 CD1 ILE A 25 12.295 10.966 -10.214 1.00 31.41 C ATOM 0 H ILE A 25 11.158 9.754 -8.341 1.00 33.03 H new ATOM 0 HA ILE A 25 11.946 11.681 -6.442 1.00 64.24 H new ATOM 0 HB ILE A 25 10.293 11.953 -8.989 1.00 11.12 H new ATOM 0 HG12 ILE A 25 12.775 12.937 -9.552 1.00 71.22 H new ATOM 0 HG13 ILE A 25 13.195 11.673 -8.413 1.00 71.22 H new ATOM 0 HG21 ILE A 25 11.005 14.311 -8.954 1.00 33.02 H new ATOM 0 HG22 ILE A 25 10.025 13.899 -7.526 1.00 33.02 H new ATOM 0 HG23 ILE A 25 11.793 14.046 -7.380 1.00 33.02 H new ATOM 0 HD11 ILE A 25 13.256 10.837 -10.712 1.00 31.41 H new ATOM 0 HD12 ILE A 25 11.979 10.016 -9.783 1.00 31.41 H new ATOM 0 HD13 ILE A 25 11.553 11.300 -10.939 1.00 31.41 H new ATOM 383 N THR A 26 8.692 11.181 -6.792 1.00 11.13 N ATOM 384 CA THR A 26 7.396 11.398 -6.161 1.00 2.12 C ATOM 385 C THR A 26 7.254 10.561 -4.895 1.00 1.34 C ATOM 386 O THR A 26 6.673 11.008 -3.906 1.00 1.33 O ATOM 387 CB THR A 26 6.240 11.057 -7.120 1.00 41.41 C ATOM 388 OG1 THR A 26 5.541 12.252 -7.489 1.00 24.42 O ATOM 389 CG2 THR A 26 5.273 10.077 -6.475 1.00 32.51 C ATOM 0 H THR A 26 8.663 10.587 -7.621 1.00 11.13 H new ATOM 0 HA THR A 26 7.344 12.456 -5.902 1.00 2.12 H new ATOM 0 HB THR A 26 6.662 10.593 -8.012 1.00 41.41 H new ATOM 0 HG1 THR A 26 4.809 12.027 -8.100 1.00 24.42 H new ATOM 0 HG21 THR A 26 4.465 9.851 -7.171 1.00 32.51 H new ATOM 0 HG22 THR A 26 5.801 9.158 -6.222 1.00 32.51 H new ATOM 0 HG23 THR A 26 4.858 10.518 -5.569 1.00 32.51 H new ATOM 397 N SER A 27 7.789 9.345 -4.931 1.00 51.05 N ATOM 398 CA SER A 27 7.719 8.444 -3.787 1.00 13.10 C ATOM 399 C SER A 27 8.413 9.054 -2.573 1.00 34.44 C ATOM 400 O SER A 27 8.030 8.798 -1.431 1.00 33.45 O ATOM 401 CB SER A 27 8.358 7.097 -4.131 1.00 52.42 C ATOM 402 OG SER A 27 7.763 6.046 -3.390 1.00 52.32 O ATOM 0 H SER A 27 8.276 8.961 -5.741 1.00 51.05 H new ATOM 0 HA SER A 27 6.668 8.287 -3.543 1.00 13.10 H new ATOM 0 HB2 SER A 27 8.249 6.901 -5.198 1.00 52.42 H new ATOM 0 HB3 SER A 27 9.427 7.134 -3.921 1.00 52.42 H new ATOM 0 HG SER A 27 7.511 5.320 -3.997 1.00 52.32 H new ATOM 408 N CYS A 28 9.436 9.862 -2.828 1.00 22.44 N ATOM 409 CA CYS A 28 10.186 10.508 -1.757 1.00 54.44 C ATOM 410 C CYS A 28 9.365 11.624 -1.116 1.00 22.20 C ATOM 411 O CYS A 28 9.345 11.769 0.106 1.00 14.32 O ATOM 412 CB CYS A 28 11.501 11.074 -2.297 1.00 20.41 C ATOM 413 SG CYS A 28 12.981 10.486 -1.413 1.00 22.53 S ATOM 0 H CYS A 28 9.765 10.085 -3.767 1.00 22.44 H new ATOM 0 HA CYS A 28 10.405 9.758 -0.997 1.00 54.44 H new ATOM 0 HB2 CYS A 28 11.592 10.811 -3.351 1.00 20.41 H new ATOM 0 HB3 CYS A 28 11.466 12.162 -2.242 1.00 20.41 H new ATOM 418 N SER A 29 8.690 12.409 -1.950 1.00 20.33 N ATOM 419 CA SER A 29 7.871 13.513 -1.465 1.00 14.20 C ATOM 420 C SER A 29 6.834 13.020 -0.460 1.00 1.43 C ATOM 421 O SER A 29 6.461 13.740 0.466 1.00 20.34 O ATOM 422 CB SER A 29 7.172 14.210 -2.635 1.00 24.43 C ATOM 423 OG SER A 29 6.971 15.586 -2.362 1.00 72.52 O ATOM 0 H SER A 29 8.694 12.301 -2.964 1.00 20.33 H new ATOM 0 HA SER A 29 8.526 14.226 -0.965 1.00 14.20 H new ATOM 0 HB2 SER A 29 7.771 14.099 -3.539 1.00 24.43 H new ATOM 0 HB3 SER A 29 6.212 13.730 -2.828 1.00 24.43 H new ATOM 0 HG SER A 29 6.525 16.009 -3.125 1.00 72.52 H new ATOM 429 N MET A 30 6.373 11.788 -0.650 1.00 43.53 N ATOM 430 CA MET A 30 5.381 11.198 0.240 1.00 54.10 C ATOM 431 C MET A 30 6.001 10.846 1.588 1.00 32.14 C ATOM 432 O MET A 30 5.291 10.626 2.569 1.00 74.10 O ATOM 433 CB MET A 30 4.773 9.947 -0.397 1.00 53.13 C ATOM 434 CG MET A 30 4.495 10.096 -1.884 1.00 43.24 C ATOM 435 SD MET A 30 2.881 9.447 -2.358 1.00 63.14 S ATOM 436 CE MET A 30 3.112 7.700 -2.038 1.00 33.13 C ATOM 0 H MET A 30 6.671 11.179 -1.412 1.00 43.53 H new ATOM 0 HA MET A 30 4.593 11.933 0.403 1.00 54.10 H new ATOM 0 HB2 MET A 30 5.450 9.106 -0.245 1.00 53.13 H new ATOM 0 HB3 MET A 30 3.842 9.704 0.116 1.00 53.13 H new ATOM 0 HG2 MET A 30 4.553 11.150 -2.157 1.00 43.24 H new ATOM 0 HG3 MET A 30 5.270 9.578 -2.448 1.00 43.24 H new ATOM 0 HE1 MET A 30 2.209 7.157 -2.317 1.00 33.13 H new ATOM 0 HE2 MET A 30 3.953 7.331 -2.624 1.00 33.13 H new ATOM 0 HE3 MET A 30 3.314 7.548 -0.978 1.00 33.13 H new ATOM 446 N GLN A 31 7.328 10.794 1.629 1.00 43.12 N ATOM 447 CA GLN A 31 8.042 10.467 2.857 1.00 5.53 C ATOM 448 C GLN A 31 8.716 11.705 3.441 1.00 41.11 C ATOM 449 O GLN A 31 9.639 11.599 4.247 1.00 10.13 O ATOM 450 CB GLN A 31 9.086 9.381 2.592 1.00 44.42 C ATOM 451 CG GLN A 31 8.763 8.508 1.391 1.00 63.53 C ATOM 452 CD GLN A 31 9.272 7.088 1.548 1.00 41.11 C ATOM 453 OE1 GLN A 31 10.337 6.738 1.039 1.00 42.23 O ATOM 454 NE2 GLN A 31 8.512 6.261 2.256 1.00 54.40 N ATOM 0 H GLN A 31 7.931 10.974 0.826 1.00 43.12 H new ATOM 0 HA GLN A 31 7.317 10.095 3.581 1.00 5.53 H new ATOM 0 HB2 GLN A 31 10.057 9.852 2.438 1.00 44.42 H new ATOM 0 HB3 GLN A 31 9.174 8.750 3.476 1.00 44.42 H new ATOM 0 HG2 GLN A 31 7.684 8.488 1.241 1.00 63.53 H new ATOM 0 HG3 GLN A 31 9.202 8.950 0.497 1.00 63.53 H new ATOM 0 HE21 GLN A 31 7.636 6.593 2.660 1.00 54.40 H new ATOM 0 HE22 GLN A 31 8.804 5.294 2.396 1.00 54.40 H new ATOM 463 N ASN A 32 8.248 12.878 3.027 1.00 11.21 N ATOM 464 CA ASN A 32 8.806 14.137 3.508 1.00 21.45 C ATOM 465 C ASN A 32 10.253 14.300 3.052 1.00 54.22 C ATOM 466 O ASN A 32 11.105 14.769 3.807 1.00 34.54 O ATOM 467 CB ASN A 32 8.731 14.201 5.035 1.00 22.13 C ATOM 468 CG ASN A 32 8.424 15.597 5.541 1.00 43.42 C ATOM 469 OD1 ASN A 32 7.765 16.384 4.862 1.00 53.43 O ATOM 470 ND2 ASN A 32 8.903 15.911 6.739 1.00 42.20 N ATOM 0 H ASN A 32 7.484 12.983 2.360 1.00 11.21 H new ATOM 0 HA ASN A 32 8.217 14.952 3.087 1.00 21.45 H new ATOM 0 HB2 ASN A 32 7.963 13.513 5.387 1.00 22.13 H new ATOM 0 HB3 ASN A 32 9.678 13.865 5.457 1.00 22.13 H new ATOM 0 HD21 ASN A 32 8.729 16.836 7.131 1.00 42.20 H new ATOM 0 HD22 ASN A 32 9.445 15.227 7.267 1.00 42.20 H new ATOM 477 N CYS A 33 10.523 13.911 1.810 1.00 13.51 N ATOM 478 CA CYS A 33 11.865 14.014 1.251 1.00 2.51 C ATOM 479 C CYS A 33 11.933 15.118 0.199 1.00 23.03 C ATOM 480 O CYS A 33 10.973 15.860 0.000 1.00 54.12 O ATOM 481 CB CYS A 33 12.287 12.680 0.634 1.00 60.33 C ATOM 482 SG CYS A 33 12.537 11.345 1.848 1.00 73.21 S ATOM 0 H CYS A 33 9.829 13.521 1.172 1.00 13.51 H new ATOM 0 HA CYS A 33 12.550 14.265 2.061 1.00 2.51 H new ATOM 0 HB2 CYS A 33 11.528 12.367 -0.083 1.00 60.33 H new ATOM 0 HB3 CYS A 33 13.212 12.827 0.076 1.00 60.33 H new ATOM 487 N GLY A 34 13.077 15.219 -0.471 1.00 51.14 N ATOM 488 CA GLY A 34 13.250 16.234 -1.494 1.00 73.24 C ATOM 489 C GLY A 34 13.232 15.654 -2.895 1.00 15.21 C ATOM 490 O GLY A 34 12.415 16.048 -3.728 1.00 40.44 O ATOM 0 H GLY A 34 13.887 14.616 -0.324 1.00 51.14 H new ATOM 0 HA2 GLY A 34 12.458 16.977 -1.402 1.00 73.24 H new ATOM 0 HA3 GLY A 34 14.195 16.753 -1.331 1.00 73.24 H new ATOM 494 N THR A 35 14.136 14.715 -3.157 1.00 53.41 N ATOM 495 CA THR A 35 14.223 14.082 -4.467 1.00 15.40 C ATOM 496 C THR A 35 14.636 12.620 -4.345 1.00 15.22 C ATOM 497 O THR A 35 14.839 12.112 -3.243 1.00 12.42 O ATOM 498 CB THR A 35 15.226 14.813 -5.379 1.00 4.14 C ATOM 499 OG1 THR A 35 15.067 14.375 -6.733 1.00 2.34 O ATOM 500 CG2 THR A 35 16.655 14.559 -4.923 1.00 4.21 C ATOM 0 H THR A 35 14.818 14.376 -2.479 1.00 53.41 H new ATOM 0 HA THR A 35 13.230 14.140 -4.912 1.00 15.40 H new ATOM 0 HB THR A 35 15.026 15.883 -5.318 1.00 4.14 H new ATOM 0 HG1 THR A 35 15.707 14.846 -7.306 1.00 2.34 H new ATOM 0 HG21 THR A 35 17.346 15.085 -5.582 1.00 4.21 H new ATOM 0 HG22 THR A 35 16.781 14.920 -3.902 1.00 4.21 H new ATOM 0 HG23 THR A 35 16.863 13.490 -4.958 1.00 4.21 H new ATOM 508 N GLY A 36 14.759 11.947 -5.485 1.00 53.30 N ATOM 509 CA GLY A 36 15.148 10.549 -5.483 1.00 12.20 C ATOM 510 C GLY A 36 15.479 10.038 -6.871 1.00 24.32 C ATOM 511 O GLY A 36 14.692 10.198 -7.803 1.00 42.24 O ATOM 0 H GLY A 36 14.596 12.345 -6.410 1.00 53.30 H new ATOM 0 HA2 GLY A 36 16.014 10.417 -4.834 1.00 12.20 H new ATOM 0 HA3 GLY A 36 14.340 9.951 -5.062 1.00 12.20 H new ATOM 515 N SER A 37 16.649 9.421 -7.009 1.00 11.31 N ATOM 516 CA SER A 37 17.086 8.889 -8.294 1.00 54.45 C ATOM 517 C SER A 37 17.286 7.379 -8.218 1.00 34.12 C ATOM 518 O SER A 37 17.703 6.847 -7.188 1.00 54.42 O ATOM 519 CB SER A 37 18.385 9.566 -8.735 1.00 63.41 C ATOM 520 OG SER A 37 18.396 9.786 -10.135 1.00 3.31 O ATOM 0 H SER A 37 17.311 9.278 -6.246 1.00 11.31 H new ATOM 0 HA SER A 37 16.308 9.098 -9.029 1.00 54.45 H new ATOM 0 HB2 SER A 37 18.499 10.516 -8.214 1.00 63.41 H new ATOM 0 HB3 SER A 37 19.236 8.945 -8.455 1.00 63.41 H new ATOM 0 HG SER A 37 19.236 10.221 -10.391 1.00 3.31 H new ATOM 526 N CYS A 38 16.985 6.692 -9.315 1.00 40.20 N ATOM 527 CA CYS A 38 17.130 5.243 -9.375 1.00 23.15 C ATOM 528 C CYS A 38 18.243 4.847 -10.341 1.00 20.12 C ATOM 529 O CYS A 38 18.423 5.470 -11.387 1.00 45.50 O ATOM 530 CB CYS A 38 15.813 4.594 -9.803 1.00 54.45 C ATOM 531 SG CYS A 38 15.414 4.817 -11.567 1.00 13.41 S ATOM 0 H CYS A 38 16.639 7.117 -10.175 1.00 40.20 H new ATOM 0 HA CYS A 38 17.394 4.888 -8.379 1.00 23.15 H new ATOM 0 HB2 CYS A 38 15.858 3.527 -9.583 1.00 54.45 H new ATOM 0 HB3 CYS A 38 15.003 5.009 -9.203 1.00 54.45 H new ATOM 536 N LYS A 39 18.987 3.806 -9.983 1.00 71.30 N ATOM 537 CA LYS A 39 20.081 3.324 -10.817 1.00 63.14 C ATOM 538 C LYS A 39 20.209 1.807 -10.725 1.00 74.31 C ATOM 539 O LYS A 39 19.978 1.217 -9.669 1.00 63.12 O ATOM 540 CB LYS A 39 21.397 3.983 -10.399 1.00 4.12 C ATOM 541 CG LYS A 39 21.293 5.487 -10.216 1.00 42.44 C ATOM 542 CD LYS A 39 22.589 6.076 -9.684 1.00 21.30 C ATOM 543 CE LYS A 39 22.675 7.570 -9.953 1.00 52.22 C ATOM 544 NZ LYS A 39 23.932 7.935 -10.663 1.00 22.23 N ATOM 0 H LYS A 39 18.852 3.280 -9.120 1.00 71.30 H new ATOM 0 HA LYS A 39 19.860 3.590 -11.851 1.00 63.14 H new ATOM 0 HB2 LYS A 39 21.738 3.535 -9.466 1.00 4.12 H new ATOM 0 HB3 LYS A 39 22.156 3.769 -11.151 1.00 4.12 H new ATOM 0 HG2 LYS A 39 21.045 5.954 -11.169 1.00 42.44 H new ATOM 0 HG3 LYS A 39 20.479 5.715 -9.528 1.00 42.44 H new ATOM 0 HD2 LYS A 39 22.659 5.894 -8.612 1.00 21.30 H new ATOM 0 HD3 LYS A 39 23.436 5.572 -10.149 1.00 21.30 H new ATOM 0 HE2 LYS A 39 21.818 7.881 -10.550 1.00 52.22 H new ATOM 0 HE3 LYS A 39 22.621 8.113 -9.009 1.00 52.22 H new ATOM 0 HZ1 LYS A 39 23.952 8.962 -10.828 1.00 22.23 H new ATOM 0 HZ2 LYS A 39 24.751 7.661 -10.083 1.00 22.23 H new ATOM 0 HZ3 LYS A 39 23.972 7.437 -11.575 1.00 22.23 H new ATOM 558 N LYS A 40 20.578 1.180 -11.837 1.00 20.21 N ATOM 559 CA LYS A 40 20.739 -0.269 -11.882 1.00 1.44 C ATOM 560 C LYS A 40 21.911 -0.713 -11.013 1.00 3.24 C ATOM 561 O LYS A 40 23.069 -0.433 -11.325 1.00 12.10 O ATOM 562 CB LYS A 40 20.954 -0.734 -13.324 1.00 23.15 C ATOM 563 CG LYS A 40 19.704 -1.303 -13.972 1.00 41.41 C ATOM 564 CD LYS A 40 19.283 -2.609 -13.321 1.00 32.22 C ATOM 565 CE LYS A 40 18.420 -3.444 -14.254 1.00 73.31 C ATOM 566 NZ LYS A 40 19.239 -4.354 -15.102 1.00 22.12 N ATOM 0 H LYS A 40 20.771 1.653 -12.720 1.00 20.21 H new ATOM 0 HA LYS A 40 19.828 -0.723 -11.492 1.00 1.44 H new ATOM 0 HB2 LYS A 40 21.311 0.107 -13.919 1.00 23.15 H new ATOM 0 HB3 LYS A 40 21.738 -1.491 -13.340 1.00 23.15 H new ATOM 0 HG2 LYS A 40 18.892 -0.579 -13.896 1.00 41.41 H new ATOM 0 HG3 LYS A 40 19.886 -1.467 -15.034 1.00 41.41 H new ATOM 0 HD2 LYS A 40 20.169 -3.177 -13.037 1.00 32.22 H new ATOM 0 HD3 LYS A 40 18.732 -2.399 -12.404 1.00 32.22 H new ATOM 0 HE2 LYS A 40 17.714 -4.032 -13.667 1.00 73.31 H new ATOM 0 HE3 LYS A 40 17.832 -2.784 -14.892 1.00 73.31 H new ATOM 0 HZ1 LYS A 40 18.725 -4.565 -15.981 1.00 22.12 H new ATOM 0 HZ2 LYS A 40 20.143 -3.895 -15.331 1.00 22.12 H new ATOM 0 HZ3 LYS A 40 19.421 -5.239 -14.586 1.00 22.12 H new ATOM 580 N ARG A 41 21.604 -1.407 -9.922 1.00 33.30 N ATOM 581 CA ARG A 41 22.632 -1.890 -9.008 1.00 61.24 C ATOM 582 C ARG A 41 22.947 -3.360 -9.272 1.00 51.11 C ATOM 583 O ARG A 41 22.156 -4.243 -8.941 1.00 25.42 O ATOM 584 CB ARG A 41 22.183 -1.706 -7.558 1.00 30.23 C ATOM 585 CG ARG A 41 22.001 -0.251 -7.156 1.00 71.54 C ATOM 586 CD ARG A 41 23.318 0.508 -7.202 1.00 33.24 C ATOM 587 NE ARG A 41 24.291 -0.027 -6.253 1.00 13.02 N ATOM 588 CZ ARG A 41 25.489 0.509 -6.048 1.00 14.21 C ATOM 589 NH1 ARG A 41 25.859 1.590 -6.721 1.00 70.32 N ATOM 590 NH2 ARG A 41 26.319 -0.035 -5.167 1.00 73.13 N ATOM 0 H ARG A 41 20.651 -1.647 -9.649 1.00 33.30 H new ATOM 0 HA ARG A 41 23.537 -1.306 -9.177 1.00 61.24 H new ATOM 0 HB2 ARG A 41 21.242 -2.236 -7.408 1.00 30.23 H new ATOM 0 HB3 ARG A 41 22.918 -2.167 -6.898 1.00 30.23 H new ATOM 0 HG2 ARG A 41 21.282 0.225 -7.823 1.00 71.54 H new ATOM 0 HG3 ARG A 41 21.585 -0.200 -6.150 1.00 71.54 H new ATOM 0 HD2 ARG A 41 23.730 0.459 -8.210 1.00 33.24 H new ATOM 0 HD3 ARG A 41 23.138 1.560 -6.982 1.00 33.24 H new ATOM 0 HE ARG A 41 24.037 -0.858 -5.718 1.00 13.02 H new ATOM 0 HH11 ARG A 41 25.223 2.012 -7.398 1.00 70.32 H new ATOM 0 HH12 ARG A 41 26.779 2.000 -6.562 1.00 70.32 H new ATOM 0 HH21 ARG A 41 26.037 -0.866 -4.646 1.00 73.13 H new ATOM 0 HH22 ARG A 41 27.239 0.378 -5.011 1.00 73.13 H new ATOM 604 N SER A 42 24.106 -3.613 -9.871 1.00 23.32 N ATOM 605 CA SER A 42 24.524 -4.975 -10.183 1.00 73.10 C ATOM 606 C SER A 42 23.495 -5.668 -11.071 1.00 61.51 C ATOM 607 O SER A 42 23.327 -6.886 -11.012 1.00 11.32 O ATOM 608 CB SER A 42 24.726 -5.777 -8.896 1.00 1.11 C ATOM 609 OG SER A 42 25.962 -6.470 -8.916 1.00 11.03 O ATOM 0 H SER A 42 24.772 -2.893 -10.150 1.00 23.32 H new ATOM 0 HA SER A 42 25.470 -4.924 -10.723 1.00 73.10 H new ATOM 0 HB2 SER A 42 24.695 -5.106 -8.037 1.00 1.11 H new ATOM 0 HB3 SER A 42 23.909 -6.488 -8.775 1.00 1.11 H new ATOM 0 HG SER A 42 26.068 -6.974 -8.082 1.00 11.03 H new ATOM 615 N GLY A 43 22.808 -4.883 -11.895 1.00 43.23 N ATOM 616 CA GLY A 43 21.804 -5.437 -12.784 1.00 64.53 C ATOM 617 C GLY A 43 20.443 -5.546 -12.126 1.00 42.52 C ATOM 618 O GLY A 43 19.559 -6.243 -12.624 1.00 23.00 O ATOM 0 H GLY A 43 22.929 -3.872 -11.963 1.00 43.23 H new ATOM 0 HA2 GLY A 43 21.725 -4.811 -13.673 1.00 64.53 H new ATOM 0 HA3 GLY A 43 22.123 -6.425 -13.117 1.00 64.53 H new ATOM 622 N ARG A 44 20.274 -4.855 -11.003 1.00 61.03 N ATOM 623 CA ARG A 44 19.012 -4.879 -10.274 1.00 53.05 C ATOM 624 C ARG A 44 18.413 -3.479 -10.179 1.00 14.13 C ATOM 625 O ARG A 44 19.095 -2.506 -9.858 1.00 40.52 O ATOM 626 CB ARG A 44 19.219 -5.454 -8.872 1.00 12.30 C ATOM 627 CG ARG A 44 19.681 -6.902 -8.869 1.00 54.23 C ATOM 628 CD ARG A 44 18.550 -7.848 -9.241 1.00 53.11 C ATOM 629 NE ARG A 44 18.869 -9.236 -8.919 1.00 31.05 N ATOM 630 CZ ARG A 44 18.108 -10.266 -9.270 1.00 74.14 C ATOM 631 NH1 ARG A 44 16.989 -10.065 -9.953 1.00 32.11 N ATOM 632 NH2 ARG A 44 18.465 -11.500 -8.940 1.00 62.40 N ATOM 0 H ARG A 44 20.995 -4.272 -10.579 1.00 61.03 H new ATOM 0 HA ARG A 44 18.317 -5.516 -10.821 1.00 53.05 H new ATOM 0 HB2 ARG A 44 19.954 -4.846 -8.344 1.00 12.30 H new ATOM 0 HB3 ARG A 44 18.284 -5.379 -8.316 1.00 12.30 H new ATOM 0 HG2 ARG A 44 20.505 -7.024 -9.572 1.00 54.23 H new ATOM 0 HG3 ARG A 44 20.064 -7.161 -7.882 1.00 54.23 H new ATOM 0 HD2 ARG A 44 17.643 -7.553 -8.714 1.00 53.11 H new ATOM 0 HD3 ARG A 44 18.341 -7.762 -10.307 1.00 53.11 H new ATOM 0 HE ARG A 44 19.724 -9.425 -8.395 1.00 31.05 H new ATOM 0 HH11 ARG A 44 16.711 -9.118 -10.210 1.00 32.11 H new ATOM 0 HH12 ARG A 44 16.406 -10.858 -10.222 1.00 32.11 H new ATOM 0 HH21 ARG A 44 19.325 -11.659 -8.416 1.00 62.40 H new ATOM 0 HH22 ARG A 44 17.879 -12.290 -9.210 1.00 62.40 H new ATOM 646 N PRO A 45 17.106 -3.373 -10.464 1.00 21.25 N ATOM 647 CA PRO A 45 16.386 -2.097 -10.416 1.00 64.05 C ATOM 648 C PRO A 45 16.218 -1.579 -8.992 1.00 50.43 C ATOM 649 O PRO A 45 15.212 -1.851 -8.336 1.00 24.04 O ATOM 650 CB PRO A 45 15.024 -2.435 -11.027 1.00 20.51 C ATOM 651 CG PRO A 45 14.852 -3.895 -10.784 1.00 62.20 C ATOM 652 CD PRO A 45 16.231 -4.492 -10.853 1.00 11.41 C ATOM 0 HA PRO A 45 16.921 -1.307 -10.944 1.00 64.05 H new ATOM 0 HB2 PRO A 45 14.226 -1.859 -10.559 1.00 20.51 H new ATOM 0 HB3 PRO A 45 15.000 -2.205 -12.092 1.00 20.51 H new ATOM 0 HG2 PRO A 45 14.396 -4.078 -9.811 1.00 62.20 H new ATOM 0 HG3 PRO A 45 14.196 -4.340 -11.532 1.00 62.20 H new ATOM 0 HD2 PRO A 45 16.337 -5.339 -10.175 1.00 11.41 H new ATOM 0 HD3 PRO A 45 16.463 -4.854 -11.855 1.00 11.41 H new ATOM 660 N THR A 46 17.209 -0.829 -8.519 1.00 52.12 N ATOM 661 CA THR A 46 17.171 -0.273 -7.173 1.00 14.14 C ATOM 662 C THR A 46 16.826 1.212 -7.200 1.00 74.34 C ATOM 663 O THR A 46 17.424 1.985 -7.949 1.00 60.22 O ATOM 664 CB THR A 46 18.517 -0.462 -6.448 1.00 73.03 C ATOM 665 OG1 THR A 46 18.820 -1.857 -6.334 1.00 14.13 O ATOM 666 CG2 THR A 46 18.480 0.169 -5.065 1.00 3.52 C ATOM 0 H THR A 46 18.048 -0.593 -9.049 1.00 52.12 H new ATOM 0 HA THR A 46 16.395 -0.814 -6.631 1.00 14.14 H new ATOM 0 HB THR A 46 19.293 0.031 -7.034 1.00 73.03 H new ATOM 0 HG1 THR A 46 19.678 -1.969 -5.874 1.00 14.13 H new ATOM 0 HG21 THR A 46 19.441 0.023 -4.572 1.00 3.52 H new ATOM 0 HG22 THR A 46 18.278 1.236 -5.157 1.00 3.52 H new ATOM 0 HG23 THR A 46 17.694 -0.299 -4.472 1.00 3.52 H new ATOM 674 N CYS A 47 15.858 1.605 -6.379 1.00 74.04 N ATOM 675 CA CYS A 47 15.433 2.998 -6.309 1.00 74.32 C ATOM 676 C CYS A 47 16.059 3.698 -5.106 1.00 73.53 C ATOM 677 O CYS A 47 15.842 3.301 -3.961 1.00 63.53 O ATOM 678 CB CYS A 47 13.907 3.084 -6.226 1.00 63.31 C ATOM 679 SG CYS A 47 13.186 4.453 -7.187 1.00 43.11 S ATOM 0 H CYS A 47 15.353 0.978 -5.753 1.00 74.04 H new ATOM 0 HA CYS A 47 15.770 3.501 -7.216 1.00 74.32 H new ATOM 0 HB2 CYS A 47 13.481 2.144 -6.577 1.00 63.31 H new ATOM 0 HB3 CYS A 47 13.616 3.195 -5.181 1.00 63.31 H new ATOM 684 N VAL A 48 16.836 4.742 -5.375 1.00 20.12 N ATOM 685 CA VAL A 48 17.493 5.498 -4.315 1.00 53.55 C ATOM 686 C VAL A 48 16.856 6.873 -4.146 1.00 35.03 C ATOM 687 O VAL A 48 16.375 7.470 -5.110 1.00 2.24 O ATOM 688 CB VAL A 48 18.996 5.673 -4.600 1.00 43.41 C ATOM 689 CG1 VAL A 48 19.745 6.017 -3.322 1.00 5.13 C ATOM 690 CG2 VAL A 48 19.567 4.417 -5.241 1.00 14.04 C ATOM 0 H VAL A 48 17.026 5.084 -6.317 1.00 20.12 H new ATOM 0 HA VAL A 48 17.369 4.927 -3.395 1.00 53.55 H new ATOM 0 HB VAL A 48 19.121 6.499 -5.300 1.00 43.41 H new ATOM 0 HG11 VAL A 48 20.806 6.137 -3.543 1.00 5.13 H new ATOM 0 HG12 VAL A 48 19.353 6.947 -2.909 1.00 5.13 H new ATOM 0 HG13 VAL A 48 19.614 5.214 -2.596 1.00 5.13 H new ATOM 0 HG21 VAL A 48 20.630 4.559 -5.435 1.00 14.04 H new ATOM 0 HG22 VAL A 48 19.431 3.571 -4.568 1.00 14.04 H new ATOM 0 HG23 VAL A 48 19.050 4.220 -6.180 1.00 14.04 H new ATOM 700 N CYS A 49 16.855 7.371 -2.914 1.00 32.44 N ATOM 701 CA CYS A 49 16.277 8.675 -2.616 1.00 11.43 C ATOM 702 C CYS A 49 17.351 9.652 -2.146 1.00 24.22 C ATOM 703 O CYS A 49 18.465 9.250 -1.808 1.00 1.21 O ATOM 704 CB CYS A 49 15.190 8.543 -1.547 1.00 40.11 C ATOM 705 SG CYS A 49 13.500 8.819 -2.168 1.00 34.33 S ATOM 0 H CYS A 49 17.249 6.890 -2.105 1.00 32.44 H new ATOM 0 HA CYS A 49 15.832 9.064 -3.532 1.00 11.43 H new ATOM 0 HB2 CYS A 49 15.246 7.547 -1.108 1.00 40.11 H new ATOM 0 HB3 CYS A 49 15.393 9.256 -0.748 1.00 40.11 H new ATOM 710 N TYR A 50 17.009 10.935 -2.127 1.00 41.11 N ATOM 711 CA TYR A 50 17.944 11.969 -1.701 1.00 3.50 C ATOM 712 C TYR A 50 17.200 13.193 -1.174 1.00 64.12 C ATOM 713 O TYR A 50 15.974 13.270 -1.254 1.00 64.05 O ATOM 714 CB TYR A 50 18.855 12.373 -2.862 1.00 54.10 C ATOM 715 CG TYR A 50 19.724 11.245 -3.370 1.00 3.31 C ATOM 716 CD1 TYR A 50 19.303 10.435 -4.418 1.00 5.34 C ATOM 717 CD2 TYR A 50 20.966 10.989 -2.802 1.00 10.02 C ATOM 718 CE1 TYR A 50 20.094 9.403 -4.885 1.00 3.24 C ATOM 719 CE2 TYR A 50 21.764 9.960 -3.263 1.00 40.33 C ATOM 720 CZ TYR A 50 21.324 9.170 -4.305 1.00 12.14 C ATOM 721 OH TYR A 50 22.115 8.143 -4.766 1.00 42.33 O ATOM 0 H TYR A 50 16.091 11.284 -2.402 1.00 41.11 H new ATOM 0 HA TYR A 50 18.554 11.561 -0.895 1.00 3.50 H new ATOM 0 HB2 TYR A 50 18.241 12.745 -3.682 1.00 54.10 H new ATOM 0 HB3 TYR A 50 19.493 13.197 -2.542 1.00 54.10 H new ATOM 0 HD1 TYR A 50 18.341 10.615 -4.875 1.00 5.34 H new ATOM 0 HD2 TYR A 50 21.313 11.605 -1.986 1.00 10.02 H new ATOM 0 HE1 TYR A 50 19.751 8.782 -5.700 1.00 3.24 H new ATOM 0 HE2 TYR A 50 22.727 9.775 -2.810 1.00 40.33 H new ATOM 0 HH TYR A 50 22.948 8.115 -4.251 1.00 42.33 H new ATOM 731 N ARG A 51 17.952 14.148 -0.636 1.00 30.55 N ATOM 732 CA ARG A 51 17.365 15.368 -0.095 1.00 24.34 C ATOM 733 C ARG A 51 16.237 15.043 0.879 1.00 33.14 C ATOM 734 O ARG A 51 15.292 15.817 1.032 1.00 55.41 O ATOM 735 CB ARG A 51 16.838 16.251 -1.227 1.00 30.21 C ATOM 736 CG ARG A 51 17.902 16.644 -2.238 1.00 40.54 C ATOM 737 CD ARG A 51 17.753 18.096 -2.667 1.00 61.24 C ATOM 738 NE ARG A 51 19.046 18.760 -2.810 1.00 30.14 N ATOM 739 CZ ARG A 51 19.752 19.221 -1.783 1.00 41.13 C ATOM 740 NH1 ARG A 51 19.293 19.090 -0.546 1.00 51.54 N ATOM 741 NH2 ARG A 51 20.920 19.814 -1.993 1.00 65.13 N ATOM 0 H ARG A 51 18.968 14.100 -0.563 1.00 30.55 H new ATOM 0 HA ARG A 51 18.143 15.908 0.445 1.00 24.34 H new ATOM 0 HB2 ARG A 51 16.035 15.725 -1.743 1.00 30.21 H new ATOM 0 HB3 ARG A 51 16.404 17.155 -0.799 1.00 30.21 H new ATOM 0 HG2 ARG A 51 18.891 16.491 -1.806 1.00 40.54 H new ATOM 0 HG3 ARG A 51 17.832 15.996 -3.112 1.00 40.54 H new ATOM 0 HD2 ARG A 51 17.216 18.141 -3.614 1.00 61.24 H new ATOM 0 HD3 ARG A 51 17.150 18.631 -1.933 1.00 61.24 H new ATOM 0 HE ARG A 51 19.428 18.876 -3.749 1.00 30.14 H new ATOM 0 HH11 ARG A 51 18.396 18.634 -0.381 1.00 51.54 H new ATOM 0 HH12 ARG A 51 19.837 19.445 0.240 1.00 51.54 H new ATOM 0 HH21 ARG A 51 21.276 19.916 -2.943 1.00 65.13 H new ATOM 0 HH22 ARG A 51 21.461 20.168 -1.204 1.00 65.13 H new ATOM 755 N CYS A 52 16.342 13.893 1.536 1.00 33.42 N ATOM 756 CA CYS A 52 15.330 13.464 2.495 1.00 64.32 C ATOM 757 C CYS A 52 15.413 14.286 3.777 1.00 3.15 C ATOM 758 O CYS A 52 16.317 15.105 3.945 1.00 72.41 O ATOM 759 CB CYS A 52 15.501 11.978 2.817 1.00 73.31 C ATOM 760 SG CYS A 52 13.931 11.082 3.048 1.00 41.34 S ATOM 0 H CYS A 52 17.118 13.241 1.422 1.00 33.42 H new ATOM 0 HA CYS A 52 14.349 13.622 2.046 1.00 64.32 H new ATOM 0 HB2 CYS A 52 16.062 11.505 2.011 1.00 73.31 H new ATOM 0 HB3 CYS A 52 16.100 11.880 3.723 1.00 73.31 H new ATOM 765 N ALA A 53 14.464 14.062 4.680 1.00 72.20 N ATOM 766 CA ALA A 53 14.430 14.780 5.948 1.00 23.41 C ATOM 767 C ALA A 53 14.823 13.868 7.106 1.00 63.14 C ATOM 768 O ALA A 53 15.346 14.327 8.120 1.00 43.42 O ATOM 769 CB ALA A 53 13.048 15.370 6.184 1.00 31.43 C ATOM 0 H ALA A 53 13.708 13.388 4.557 1.00 72.20 H new ATOM 0 HA ALA A 53 15.155 15.592 5.897 1.00 23.41 H new ATOM 0 HB1 ALA A 53 13.038 15.903 7.135 1.00 31.43 H new ATOM 0 HB2 ALA A 53 12.805 16.062 5.377 1.00 31.43 H new ATOM 0 HB3 ALA A 53 12.310 14.569 6.209 1.00 31.43 H new ATOM 775 N ASN A 54 14.567 12.573 6.947 1.00 41.55 N ATOM 776 CA ASN A 54 14.893 11.597 7.980 1.00 42.23 C ATOM 777 C ASN A 54 16.283 11.009 7.753 1.00 12.45 C ATOM 778 O ASN A 54 16.610 9.944 8.275 1.00 3.41 O ATOM 779 CB ASN A 54 13.851 10.478 8.000 1.00 73.50 C ATOM 780 CG ASN A 54 13.326 10.201 9.396 1.00 51.42 C ATOM 781 OD1 ASN A 54 13.024 11.125 10.152 1.00 40.25 O ATOM 782 ND2 ASN A 54 13.215 8.925 9.744 1.00 22.22 N ATOM 0 H ASN A 54 14.135 12.176 6.113 1.00 41.55 H new ATOM 0 HA ASN A 54 14.886 12.108 8.943 1.00 42.23 H new ATOM 0 HB2 ASN A 54 13.019 10.748 7.349 1.00 73.50 H new ATOM 0 HB3 ASN A 54 14.292 9.568 7.593 1.00 73.50 H new ATOM 0 HD21 ASN A 54 12.868 8.677 10.671 1.00 22.22 H new ATOM 0 HD22 ASN A 54 13.477 8.192 9.085 1.00 22.22 H new ATOM 789 N GLY A 55 17.097 11.712 6.972 1.00 51.33 N ATOM 790 CA GLY A 55 18.442 11.245 6.690 1.00 13.23 C ATOM 791 C GLY A 55 19.176 12.145 5.717 1.00 43.24 C ATOM 792 O GLY A 55 20.400 12.257 5.766 1.00 65.52 O ATOM 0 H GLY A 55 16.849 12.597 6.529 1.00 51.33 H new ATOM 0 HA2 GLY A 55 19.005 11.186 7.621 1.00 13.23 H new ATOM 0 HA3 GLY A 55 18.395 10.236 6.281 1.00 13.23 H new ATOM 796 N GLY A 56 18.427 12.789 4.827 1.00 74.23 N ATOM 797 CA GLY A 56 19.032 13.674 3.849 1.00 73.34 C ATOM 798 C GLY A 56 20.018 12.956 2.949 1.00 61.30 C ATOM 799 O GLY A 56 21.203 13.287 2.926 1.00 73.22 O ATOM 0 H GLY A 56 17.412 12.713 4.766 1.00 74.23 H new ATOM 0 HA2 GLY A 56 18.250 14.125 3.239 1.00 73.34 H new ATOM 0 HA3 GLY A 56 19.542 14.487 4.366 1.00 73.34 H new ATOM 803 N GLY A 57 19.529 11.967 2.206 1.00 14.33 N ATOM 804 CA GLY A 57 20.389 11.215 1.313 1.00 64.35 C ATOM 805 C GLY A 57 19.758 9.913 0.859 1.00 2.22 C ATOM 806 O GLY A 57 18.553 9.852 0.616 1.00 31.54 O ATOM 0 H GLY A 57 18.552 11.674 2.207 1.00 14.33 H new ATOM 0 HA2 GLY A 57 20.624 11.825 0.441 1.00 64.35 H new ATOM 0 HA3 GLY A 57 21.332 11.002 1.816 1.00 64.35 H new ATOM 810 N ASP A 58 20.574 8.871 0.743 1.00 12.12 N ATOM 811 CA ASP A 58 20.088 7.564 0.315 1.00 4.31 C ATOM 812 C ASP A 58 19.128 6.977 1.345 1.00 43.10 C ATOM 813 O ASP A 58 19.546 6.532 2.415 1.00 42.44 O ATOM 814 CB ASP A 58 21.262 6.609 0.091 1.00 53.24 C ATOM 815 CG ASP A 58 22.244 6.617 1.246 1.00 73.14 C ATOM 816 OD1 ASP A 58 22.118 5.751 2.137 1.00 4.33 O ATOM 817 OD2 ASP A 58 23.138 7.488 1.257 1.00 1.15 O ATOM 0 H ASP A 58 21.574 8.906 0.939 1.00 12.12 H new ATOM 0 HA ASP A 58 19.550 7.693 -0.624 1.00 4.31 H new ATOM 0 HB2 ASP A 58 20.882 5.598 -0.051 1.00 53.24 H new ATOM 0 HB3 ASP A 58 21.782 6.886 -0.826 1.00 53.24 H new ATOM 822 N ILE A 59 17.841 6.980 1.015 1.00 1.05 N ATOM 823 CA ILE A 59 16.822 6.448 1.912 1.00 64.31 C ATOM 824 C ILE A 59 15.756 5.680 1.138 1.00 24.41 C ATOM 825 O ILE A 59 14.868 6.260 0.514 1.00 70.13 O ATOM 826 CB ILE A 59 16.145 7.568 2.723 1.00 52.24 C ATOM 827 CG1 ILE A 59 17.191 8.559 3.238 1.00 71.03 C ATOM 828 CG2 ILE A 59 15.351 6.979 3.879 1.00 54.31 C ATOM 829 CD1 ILE A 59 18.024 8.019 4.379 1.00 42.11 C ATOM 0 H ILE A 59 17.479 7.345 0.134 1.00 1.05 H new ATOM 0 HA ILE A 59 17.329 5.770 2.599 1.00 64.31 H new ATOM 0 HB ILE A 59 15.456 8.103 2.070 1.00 52.24 H new ATOM 0 HG12 ILE A 59 17.851 8.837 2.417 1.00 71.03 H new ATOM 0 HG13 ILE A 59 16.688 9.469 3.565 1.00 71.03 H new ATOM 0 HG21 ILE A 59 14.878 7.783 4.443 1.00 54.31 H new ATOM 0 HG22 ILE A 59 14.584 6.309 3.490 1.00 54.31 H new ATOM 0 HG23 ILE A 59 16.021 6.422 4.534 1.00 54.31 H new ATOM 0 HD11 ILE A 59 18.744 8.775 4.693 1.00 42.11 H new ATOM 0 HD12 ILE A 59 17.374 7.767 5.217 1.00 42.11 H new ATOM 0 HD13 ILE A 59 18.555 7.126 4.051 1.00 42.11 H new ATOM 841 N PRO A 60 15.844 4.342 1.180 1.00 34.20 N ATOM 842 CA PRO A 60 14.893 3.465 0.490 1.00 21.52 C ATOM 843 C PRO A 60 13.509 3.492 1.130 1.00 42.21 C ATOM 844 O PRO A 60 13.373 3.745 2.328 1.00 55.54 O ATOM 845 CB PRO A 60 15.522 2.076 0.636 1.00 53.44 C ATOM 846 CG PRO A 60 16.365 2.169 1.860 1.00 65.02 C ATOM 847 CD PRO A 60 16.876 3.583 1.905 1.00 65.54 C ATOM 0 HA PRO A 60 14.734 3.770 -0.544 1.00 21.52 H new ATOM 0 HB2 PRO A 60 14.759 1.305 0.739 1.00 53.44 H new ATOM 0 HB3 PRO A 60 16.120 1.818 -0.238 1.00 53.44 H new ATOM 0 HG2 PRO A 60 15.784 1.935 2.752 1.00 65.02 H new ATOM 0 HG3 PRO A 60 17.190 1.457 1.821 1.00 65.02 H new ATOM 0 HD2 PRO A 60 16.989 3.937 2.930 1.00 65.54 H new ATOM 0 HD3 PRO A 60 17.851 3.673 1.427 1.00 65.54 H new ATOM 855 N LEU A 61 12.485 3.230 0.325 1.00 3.12 N ATOM 856 CA LEU A 61 11.111 3.224 0.813 1.00 15.42 C ATOM 857 C LEU A 61 10.979 2.355 2.060 1.00 52.13 C ATOM 858 O LEU A 61 10.070 2.544 2.867 1.00 30.42 O ATOM 859 CB LEU A 61 10.164 2.720 -0.277 1.00 34.41 C ATOM 860 CG LEU A 61 10.142 3.528 -1.574 1.00 50.35 C ATOM 861 CD1 LEU A 61 8.979 3.096 -2.453 1.00 54.25 C ATOM 862 CD2 LEU A 61 10.061 5.018 -1.273 1.00 72.33 C ATOM 0 H LEU A 61 12.581 3.019 -0.668 1.00 3.12 H new ATOM 0 HA LEU A 61 10.841 4.247 1.076 1.00 15.42 H new ATOM 0 HB2 LEU A 61 10.434 1.692 -0.518 1.00 34.41 H new ATOM 0 HB3 LEU A 61 9.153 2.697 0.130 1.00 34.41 H new ATOM 0 HG LEU A 61 11.069 3.337 -2.114 1.00 50.35 H new ATOM 0 HD11 LEU A 61 8.980 3.682 -3.372 1.00 54.25 H new ATOM 0 HD12 LEU A 61 9.081 2.039 -2.697 1.00 54.25 H new ATOM 0 HD13 LEU A 61 8.041 3.257 -1.921 1.00 54.25 H new ATOM 0 HD21 LEU A 61 10.046 5.578 -2.208 1.00 72.33 H new ATOM 0 HD22 LEU A 61 9.151 5.227 -0.711 1.00 72.33 H new ATOM 0 HD23 LEU A 61 10.928 5.318 -0.684 1.00 72.33 H new ATOM 874 N GLY A 62 11.895 1.403 2.211 1.00 75.15 N ATOM 875 CA GLY A 62 11.864 0.520 3.362 1.00 0.20 C ATOM 876 C GLY A 62 12.333 1.205 4.630 1.00 12.33 C ATOM 877 O GLY A 62 11.816 0.939 5.715 1.00 62.10 O ATOM 0 H GLY A 62 12.658 1.228 1.557 1.00 75.15 H new ATOM 0 HA2 GLY A 62 10.848 0.151 3.506 1.00 0.20 H new ATOM 0 HA3 GLY A 62 12.494 -0.348 3.167 1.00 0.20 H new ATOM 881 N ALA A 63 13.316 2.089 4.495 1.00 52.53 N ATOM 882 CA ALA A 63 13.854 2.815 5.639 1.00 70.23 C ATOM 883 C ALA A 63 12.938 3.966 6.039 1.00 12.22 C ATOM 884 O ALA A 63 12.939 4.403 7.191 1.00 22.41 O ATOM 885 CB ALA A 63 15.250 3.333 5.326 1.00 60.20 C ATOM 0 H ALA A 63 13.756 2.320 3.604 1.00 52.53 H new ATOM 0 HA ALA A 63 13.915 2.125 6.480 1.00 70.23 H new ATOM 0 HB1 ALA A 63 15.640 3.873 6.189 1.00 60.20 H new ATOM 0 HB2 ALA A 63 15.907 2.494 5.097 1.00 60.20 H new ATOM 0 HB3 ALA A 63 15.205 4.004 4.468 1.00 60.20 H new ATOM 891 N LEU A 64 12.157 4.455 5.082 1.00 1.10 N ATOM 892 CA LEU A 64 11.236 5.557 5.335 1.00 55.42 C ATOM 893 C LEU A 64 9.860 5.036 5.737 1.00 73.43 C ATOM 894 O LEU A 64 8.907 5.805 5.866 1.00 21.05 O ATOM 895 CB LEU A 64 11.115 6.442 4.093 1.00 2.51 C ATOM 896 CG LEU A 64 12.025 7.670 4.053 1.00 4.53 C ATOM 897 CD1 LEU A 64 12.393 8.016 2.619 1.00 42.13 C ATOM 898 CD2 LEU A 64 11.354 8.854 4.734 1.00 52.43 C ATOM 0 H LEU A 64 12.143 4.106 4.124 1.00 1.10 H new ATOM 0 HA LEU A 64 11.635 6.149 6.159 1.00 55.42 H new ATOM 0 HB2 LEU A 64 11.323 5.831 3.215 1.00 2.51 H new ATOM 0 HB3 LEU A 64 10.081 6.778 4.010 1.00 2.51 H new ATOM 0 HG LEU A 64 12.941 7.436 4.595 1.00 4.53 H new ATOM 0 HD11 LEU A 64 13.041 8.893 2.611 1.00 42.13 H new ATOM 0 HD12 LEU A 64 12.915 7.174 2.164 1.00 42.13 H new ATOM 0 HD13 LEU A 64 11.487 8.230 2.052 1.00 42.13 H new ATOM 0 HD21 LEU A 64 12.016 9.719 4.696 1.00 52.43 H new ATOM 0 HD22 LEU A 64 10.421 9.088 4.221 1.00 52.43 H new ATOM 0 HD23 LEU A 64 11.143 8.604 5.774 1.00 52.43 H new ATOM 910 N ILE A 65 9.764 3.725 5.934 1.00 2.21 N ATOM 911 CA ILE A 65 8.506 3.102 6.325 1.00 72.33 C ATOM 912 C ILE A 65 7.953 3.730 7.599 1.00 2.43 C ATOM 913 O ILE A 65 8.496 3.535 8.687 1.00 35.22 O ATOM 914 CB ILE A 65 8.672 1.586 6.544 1.00 44.45 C ATOM 915 CG1 ILE A 65 8.935 0.882 5.211 1.00 43.43 C ATOM 916 CG2 ILE A 65 7.437 1.010 7.219 1.00 71.24 C ATOM 917 CD1 ILE A 65 9.195 -0.601 5.352 1.00 61.11 C ATOM 0 H ILE A 65 10.542 3.074 5.829 1.00 2.21 H new ATOM 0 HA ILE A 65 7.805 3.268 5.507 1.00 72.33 H new ATOM 0 HB ILE A 65 9.529 1.420 7.196 1.00 44.45 H new ATOM 0 HG12 ILE A 65 8.077 1.032 4.555 1.00 43.43 H new ATOM 0 HG13 ILE A 65 9.792 1.348 4.726 1.00 43.43 H new ATOM 0 HG21 ILE A 65 7.570 -0.062 7.367 1.00 71.24 H new ATOM 0 HG22 ILE A 65 7.291 1.494 8.185 1.00 71.24 H new ATOM 0 HG23 ILE A 65 6.564 1.184 6.590 1.00 71.24 H new ATOM 0 HD11 ILE A 65 9.373 -1.034 4.368 1.00 61.11 H new ATOM 0 HD12 ILE A 65 10.071 -0.759 5.982 1.00 61.11 H new ATOM 0 HD13 ILE A 65 8.329 -1.080 5.808 1.00 61.11 H new ATOM 929 N LYS A 66 6.869 4.485 7.458 1.00 1.51 N ATOM 930 CA LYS A 66 6.239 5.141 8.598 1.00 41.42 C ATOM 931 C LYS A 66 5.302 4.184 9.327 1.00 72.03 C ATOM 932 O LYS A 66 4.649 4.561 10.300 1.00 33.30 O ATOM 933 CB LYS A 66 5.464 6.378 8.137 1.00 44.04 C ATOM 934 CG LYS A 66 6.302 7.355 7.330 1.00 63.44 C ATOM 935 CD LYS A 66 5.442 8.184 6.391 1.00 2.31 C ATOM 936 CE LYS A 66 5.085 7.410 5.132 1.00 75.12 C ATOM 937 NZ LYS A 66 3.612 7.251 4.978 1.00 51.44 N ATOM 0 H LYS A 66 6.408 4.658 6.565 1.00 1.51 H new ATOM 0 HA LYS A 66 7.025 5.448 9.288 1.00 41.42 H new ATOM 0 HB2 LYS A 66 4.612 6.060 7.536 1.00 44.04 H new ATOM 0 HB3 LYS A 66 5.063 6.892 9.011 1.00 44.04 H new ATOM 0 HG2 LYS A 66 6.845 8.015 8.006 1.00 63.44 H new ATOM 0 HG3 LYS A 66 7.047 6.807 6.754 1.00 63.44 H new ATOM 0 HD2 LYS A 66 4.529 8.487 6.904 1.00 2.31 H new ATOM 0 HD3 LYS A 66 5.973 9.096 6.120 1.00 2.31 H new ATOM 0 HE2 LYS A 66 5.488 7.927 4.261 1.00 75.12 H new ATOM 0 HE3 LYS A 66 5.555 6.427 5.164 1.00 75.12 H new ATOM 0 HZ1 LYS A 66 3.409 6.718 4.108 1.00 51.44 H new ATOM 0 HZ2 LYS A 66 3.231 6.735 5.797 1.00 51.44 H new ATOM 0 HZ3 LYS A 66 3.166 8.189 4.922 1.00 51.44 H new ATOM 951 N ARG A 67 5.242 2.945 8.851 1.00 73.35 N ATOM 952 CA ARG A 67 4.384 1.934 9.458 1.00 65.34 C ATOM 953 C ARG A 67 2.912 2.302 9.298 1.00 63.01 C ATOM 954 O ARG A 67 2.046 1.744 9.970 1.00 11.41 O ATOM 955 CB ARG A 67 4.723 1.771 10.941 1.00 54.43 C ATOM 956 CG ARG A 67 4.843 0.322 11.383 1.00 51.21 C ATOM 957 CD ARG A 67 3.560 -0.450 11.117 1.00 10.32 C ATOM 958 NE ARG A 67 3.651 -1.835 11.570 1.00 30.10 N ATOM 959 CZ ARG A 67 2.699 -2.739 11.367 1.00 52.23 C ATOM 960 NH1 ARG A 67 1.590 -2.405 10.721 1.00 0.41 N ATOM 961 NH2 ARG A 67 2.855 -3.980 11.809 1.00 0.01 N ATOM 0 H ARG A 67 5.777 2.617 8.047 1.00 73.35 H new ATOM 0 HA ARG A 67 4.561 0.988 8.946 1.00 65.34 H new ATOM 0 HB2 ARG A 67 5.662 2.284 11.149 1.00 54.43 H new ATOM 0 HB3 ARG A 67 3.953 2.261 11.537 1.00 54.43 H new ATOM 0 HG2 ARG A 67 5.671 -0.153 10.856 1.00 51.21 H new ATOM 0 HG3 ARG A 67 5.078 0.283 12.447 1.00 51.21 H new ATOM 0 HD2 ARG A 67 2.729 0.043 11.622 1.00 10.32 H new ATOM 0 HD3 ARG A 67 3.340 -0.431 10.050 1.00 10.32 H new ATOM 0 HE ARG A 67 4.492 -2.124 12.070 1.00 30.10 H new ATOM 0 HH11 ARG A 67 1.467 -1.452 10.379 1.00 0.41 H new ATOM 0 HH12 ARG A 67 0.861 -3.101 10.566 1.00 0.41 H new ATOM 0 HH21 ARG A 67 3.707 -4.241 12.306 1.00 0.01 H new ATOM 0 HH22 ARG A 67 2.123 -4.673 11.652 1.00 0.01 H new ATOM 975 N GLY A 68 2.637 3.246 8.403 1.00 43.12 N ATOM 976 CA GLY A 68 1.270 3.673 8.171 1.00 12.25 C ATOM 977 C GLY A 68 0.943 4.977 8.873 1.00 62.15 C ATOM 978 O GLY A 68 0.015 5.040 9.679 1.00 40.24 O ATOM 0 H GLY A 68 3.337 3.723 7.834 1.00 43.12 H new ATOM 0 HA2 GLY A 68 1.106 3.789 7.100 1.00 12.25 H new ATOM 0 HA3 GLY A 68 0.587 2.897 8.516 1.00 12.25 H new TER 982 GLY A 68