USER MOD reduce.3.24.130724 H: found=0, std=0, add=571, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 569 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 34 SER OG : rot -84:sc= 1.18 USER MOD Set 1.2: A 41 TYR OH : rot 15:sc= -1.43! USER MOD Set 2.1: A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -158:sc= -0.117 (180deg=-0.615) USER MOD Single : A 2 LYS NZ :NH3+ -161:sc= -0.0745 (180deg=-0.76) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 TYR OH : rot 113:sc= 0.173 USER MOD Single : A 11 ASN : amide:sc= -6.91! C(o=-6.9!,f=-13!) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot -13:sc= 0.731 USER MOD Single : A 17 TYR OH : rot -140:sc= -0.647! USER MOD Single : A 18 HIS : no HE2:sc= -6.98! C(o=-7!,f=-8.1!) USER MOD Single : A 19 TYR OH : rot 180:sc= -0.722 USER MOD Single : A 23 SER OG : rot -167:sc= -6.1! USER MOD Single : A 28 LYS NZ :NH3+ 156:sc= -0.0723 (180deg=-0.567) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 HIS : no HD1:sc= -1.29 K(o=-1.3,f=-0.38) USER MOD Single : A 39 ASN : amide:sc= -6.93! C(o=-6.9!,f=-1.9!) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot -1:sc= 0.444 USER MOD Single : A 47 ASN : amide:sc= -0.266 K(o=-0.27,f=-3.3!) USER MOD Single : A 48 GLN : amide:sc= -0.227 X(o=-0.23,f=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= -0.251 USER MOD Single : A 53 LYS NZ :NH3+ 163:sc= 0 (180deg=-0.374) USER MOD Single : A 54 ASN : amide:sc= -0.296 K(o=-0.3,f=-1.4) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 180:sc= -0.362 USER MOD Single : A 60 GLN : amide:sc= -0.0158 K(o=-0.016,f=-1.1) USER MOD Single : A 66 LYS NZ :NH3+ -107:sc= -0.242 (180deg=-0.59) USER MOD Single : A 67 CYS SG : rot 44:sc= -8.25! USER MOD Single : A 68 TYR OH : rot 176:sc= -4.42! USER MOD Single : A 72 MET CE :methyl 175:sc= -0.569 (180deg=-0.617) USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.827 -13.954 -21.104 1.00 0.00 N ATOM 2 CA MET A 1 -15.238 -14.276 -20.785 1.00 0.00 C ATOM 3 C MET A 1 -15.436 -14.324 -19.275 1.00 0.00 C ATOM 4 O MET A 1 -16.339 -13.707 -18.745 1.00 0.00 O ATOM 5 CB MET A 1 -15.605 -15.650 -21.370 1.00 0.00 C ATOM 6 CG MET A 1 -15.571 -15.569 -22.898 1.00 0.00 C ATOM 7 SD MET A 1 -15.941 -17.081 -23.820 1.00 0.00 S ATOM 8 CE MET A 1 -17.744 -16.974 -23.716 1.00 0.00 C ATOM 0 H1 MET A 1 -13.769 -13.562 -22.066 1.00 0.00 H new ATOM 0 H2 MET A 1 -13.468 -13.255 -20.423 1.00 0.00 H new ATOM 0 H3 MET A 1 -13.252 -14.819 -21.047 1.00 0.00 H new ATOM 0 HA MET A 1 -15.875 -13.504 -21.216 1.00 0.00 H new ATOM 0 HB2 MET A 1 -14.905 -16.408 -21.018 1.00 0.00 H new ATOM 0 HB3 MET A 1 -16.597 -15.950 -21.031 1.00 0.00 H new ATOM 0 HG2 MET A 1 -16.280 -14.802 -23.211 1.00 0.00 H new ATOM 0 HG3 MET A 1 -14.580 -15.227 -23.195 1.00 0.00 H new ATOM 0 HE1 MET A 1 -18.189 -17.826 -24.230 1.00 0.00 H new ATOM 0 HE2 MET A 1 -18.049 -16.982 -22.670 1.00 0.00 H new ATOM 0 HE3 MET A 1 -18.081 -16.050 -24.185 1.00 0.00 H new ATOM 20 N LYS A 2 -14.586 -15.056 -18.608 1.00 0.00 N ATOM 21 CA LYS A 2 -14.711 -15.154 -17.134 1.00 0.00 C ATOM 22 C LYS A 2 -13.466 -15.804 -16.530 1.00 0.00 C ATOM 23 O LYS A 2 -13.549 -16.536 -15.564 1.00 0.00 O ATOM 24 CB LYS A 2 -15.948 -16.021 -16.808 1.00 0.00 C ATOM 25 CG LYS A 2 -16.426 -15.711 -15.386 1.00 0.00 C ATOM 26 CD LYS A 2 -17.667 -16.553 -15.079 1.00 0.00 C ATOM 27 CE LYS A 2 -18.342 -16.010 -13.817 1.00 0.00 C ATOM 28 NZ LYS A 2 -17.320 -15.561 -12.831 1.00 0.00 N ATOM 0 H LYS A 2 -13.817 -15.585 -19.020 1.00 0.00 H new ATOM 0 HA LYS A 2 -14.818 -14.155 -16.712 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -16.745 -15.820 -17.523 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -15.699 -17.078 -16.897 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -15.636 -15.930 -14.668 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -16.658 -14.650 -15.290 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -18.360 -16.521 -15.919 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -17.387 -17.597 -14.936 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -18.996 -15.177 -14.077 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -18.970 -16.782 -13.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -17.751 -15.502 -11.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -16.534 -16.242 -12.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -16.960 -14.625 -13.106 1.00 0.00 H new ATOM 42 N GLU A 3 -12.334 -15.523 -17.115 1.00 0.00 N ATOM 43 CA GLU A 3 -11.078 -16.113 -16.592 1.00 0.00 C ATOM 44 C GLU A 3 -10.737 -15.536 -15.226 1.00 0.00 C ATOM 45 O GLU A 3 -11.416 -14.658 -14.732 1.00 0.00 O ATOM 46 CB GLU A 3 -9.943 -15.780 -17.571 1.00 0.00 C ATOM 47 CG GLU A 3 -10.341 -16.243 -18.975 1.00 0.00 C ATOM 48 CD GLU A 3 -10.555 -17.759 -18.965 1.00 0.00 C ATOM 49 OE1 GLU A 3 -9.548 -18.447 -18.957 1.00 0.00 O ATOM 50 OE2 GLU A 3 -11.713 -18.142 -18.967 1.00 0.00 O ATOM 0 H GLU A 3 -12.228 -14.914 -17.927 1.00 0.00 H new ATOM 0 HA GLU A 3 -11.204 -17.191 -16.492 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -9.748 -14.708 -17.570 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -9.021 -16.272 -17.260 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -11.253 -15.737 -19.292 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -9.564 -15.978 -19.692 1.00 0.00 H new ATOM 57 N THR A 4 -9.689 -16.040 -14.637 1.00 0.00 N ATOM 58 CA THR A 4 -9.287 -15.533 -13.301 1.00 0.00 C ATOM 59 C THR A 4 -8.594 -14.189 -13.408 1.00 0.00 C ATOM 60 O THR A 4 -7.655 -14.036 -14.156 1.00 0.00 O ATOM 61 CB THR A 4 -8.288 -16.526 -12.676 1.00 0.00 C ATOM 62 OG1 THR A 4 -8.976 -17.758 -12.601 1.00 0.00 O ATOM 63 CG2 THR A 4 -7.984 -16.157 -11.211 1.00 0.00 C ATOM 0 H THR A 4 -9.098 -16.777 -15.022 1.00 0.00 H new ATOM 0 HA THR A 4 -10.185 -15.426 -12.693 1.00 0.00 H new ATOM 0 HB THR A 4 -7.369 -16.538 -13.262 1.00 0.00 H new ATOM 0 HG1 THR A 4 -8.388 -18.438 -12.210 1.00 0.00 H new ATOM 0 HG21 THR A 4 -7.277 -16.874 -10.794 1.00 0.00 H new ATOM 0 HG22 THR A 4 -7.553 -15.156 -11.170 1.00 0.00 H new ATOM 0 HG23 THR A 4 -8.907 -16.179 -10.631 1.00 0.00 H new ATOM 71 N ARG A 5 -9.088 -13.221 -12.676 1.00 0.00 N ATOM 72 CA ARG A 5 -8.458 -11.872 -12.718 1.00 0.00 C ATOM 73 C ARG A 5 -7.514 -11.767 -11.553 1.00 0.00 C ATOM 74 O ARG A 5 -7.420 -12.675 -10.751 1.00 0.00 O ATOM 75 CB ARG A 5 -9.546 -10.779 -12.612 1.00 0.00 C ATOM 76 CG ARG A 5 -10.734 -11.160 -13.509 1.00 0.00 C ATOM 77 CD ARG A 5 -10.261 -11.255 -14.967 1.00 0.00 C ATOM 78 NE ARG A 5 -11.447 -11.104 -15.870 1.00 0.00 N ATOM 79 CZ ARG A 5 -11.296 -10.576 -17.059 1.00 0.00 C ATOM 80 NH1 ARG A 5 -10.584 -11.214 -17.948 1.00 0.00 N ATOM 81 NH2 ARG A 5 -11.861 -9.428 -17.314 1.00 0.00 N ATOM 0 H ARG A 5 -9.894 -13.308 -12.057 1.00 0.00 H new ATOM 0 HA ARG A 5 -7.921 -11.733 -13.656 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -9.874 -10.675 -11.578 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -9.140 -9.814 -12.916 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -11.155 -12.113 -13.189 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -11.525 -10.416 -13.419 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -9.526 -10.478 -15.177 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -9.772 -12.213 -15.143 1.00 0.00 H new ATOM 0 HE ARG A 5 -12.369 -11.411 -15.560 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -10.156 -12.109 -17.712 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -10.456 -10.817 -18.879 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -12.409 -8.958 -16.593 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -11.755 -9.001 -18.234 1.00 0.00 H new ATOM 95 N TYR A 6 -6.828 -10.684 -11.463 1.00 0.00 N ATOM 96 CA TYR A 6 -5.869 -10.523 -10.331 1.00 0.00 C ATOM 97 C TYR A 6 -5.739 -9.050 -9.963 1.00 0.00 C ATOM 98 O TYR A 6 -6.295 -8.205 -10.635 1.00 0.00 O ATOM 99 CB TYR A 6 -4.503 -11.083 -10.817 1.00 0.00 C ATOM 100 CG TYR A 6 -4.748 -12.282 -11.754 1.00 0.00 C ATOM 101 CD1 TYR A 6 -4.961 -13.548 -11.237 1.00 0.00 C ATOM 102 CD2 TYR A 6 -4.771 -12.112 -13.124 1.00 0.00 C ATOM 103 CE1 TYR A 6 -5.191 -14.617 -12.073 1.00 0.00 C ATOM 104 CE2 TYR A 6 -4.996 -13.187 -13.959 1.00 0.00 C ATOM 105 CZ TYR A 6 -5.207 -14.446 -13.440 1.00 0.00 C ATOM 106 OH TYR A 6 -5.432 -15.520 -14.276 1.00 0.00 O ATOM 0 H TYR A 6 -6.879 -9.899 -12.113 1.00 0.00 H new ATOM 0 HA TYR A 6 -6.213 -11.056 -9.444 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -3.944 -10.307 -11.340 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -3.899 -11.391 -9.964 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -4.947 -13.699 -10.168 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -4.612 -11.130 -13.545 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -5.360 -15.598 -11.654 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -5.007 -13.040 -15.029 1.00 0.00 H new ATOM 0 HH TYR A 6 -6.292 -15.405 -14.732 1.00 0.00 H new ATOM 116 N CYS A 7 -5.012 -8.739 -8.898 1.00 0.00 N ATOM 117 CA CYS A 7 -4.891 -7.305 -8.543 1.00 0.00 C ATOM 118 C CYS A 7 -4.453 -6.542 -9.733 1.00 0.00 C ATOM 119 O CYS A 7 -3.620 -6.998 -10.492 1.00 0.00 O ATOM 120 CB CYS A 7 -3.886 -7.065 -7.409 1.00 0.00 C ATOM 121 SG CYS A 7 -3.877 -5.390 -6.730 1.00 0.00 S ATOM 0 H CYS A 7 -4.522 -9.398 -8.293 1.00 0.00 H new ATOM 0 HA CYS A 7 -5.871 -6.972 -8.200 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -4.099 -7.766 -6.602 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -2.886 -7.296 -7.776 1.00 0.00 H new ATOM 126 N ALA A 8 -5.004 -5.399 -9.905 1.00 0.00 N ATOM 127 CA ALA A 8 -4.606 -4.609 -11.070 1.00 0.00 C ATOM 128 C ALA A 8 -3.069 -4.549 -11.217 1.00 0.00 C ATOM 129 O ALA A 8 -2.570 -4.570 -12.320 1.00 0.00 O ATOM 130 CB ALA A 8 -5.179 -3.197 -10.923 1.00 0.00 C ATOM 0 H ALA A 8 -5.707 -4.978 -9.297 1.00 0.00 H new ATOM 0 HA ALA A 8 -4.999 -5.084 -11.969 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -4.890 -2.596 -11.785 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -6.266 -3.250 -10.865 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -4.789 -2.739 -10.014 1.00 0.00 H new ATOM 136 N VAL A 9 -2.340 -4.523 -10.097 1.00 0.00 N ATOM 137 CA VAL A 9 -0.832 -4.461 -10.215 1.00 0.00 C ATOM 138 C VAL A 9 -0.094 -4.846 -8.911 1.00 0.00 C ATOM 139 O VAL A 9 0.905 -5.536 -8.939 1.00 0.00 O ATOM 140 CB VAL A 9 -0.438 -2.968 -10.523 1.00 0.00 C ATOM 141 CG1 VAL A 9 1.097 -2.765 -10.327 1.00 0.00 C ATOM 142 CG2 VAL A 9 -0.816 -2.607 -11.975 1.00 0.00 C ATOM 0 H VAL A 9 -2.712 -4.541 -9.147 1.00 0.00 H new ATOM 0 HA VAL A 9 -0.544 -5.168 -10.993 1.00 0.00 H new ATOM 0 HB VAL A 9 -0.980 -2.319 -9.835 1.00 0.00 H new ATOM 0 HG11 VAL A 9 1.357 -1.729 -10.543 1.00 0.00 H new ATOM 0 HG12 VAL A 9 1.367 -3.000 -9.297 1.00 0.00 H new ATOM 0 HG13 VAL A 9 1.641 -3.424 -11.004 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -0.539 -1.572 -12.177 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -0.286 -3.265 -12.663 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -1.891 -2.728 -12.112 1.00 0.00 H new ATOM 152 N CYS A 10 -0.605 -4.392 -7.814 1.00 0.00 N ATOM 153 CA CYS A 10 0.049 -4.697 -6.495 1.00 0.00 C ATOM 154 C CYS A 10 0.235 -6.198 -6.157 1.00 0.00 C ATOM 155 O CYS A 10 1.352 -6.677 -6.188 1.00 0.00 O ATOM 156 CB CYS A 10 -0.755 -3.982 -5.367 1.00 0.00 C ATOM 157 SG CYS A 10 -1.463 -4.995 -4.054 1.00 0.00 S ATOM 0 H CYS A 10 -1.448 -3.821 -7.758 1.00 0.00 H new ATOM 0 HA CYS A 10 1.069 -4.320 -6.574 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -0.097 -3.248 -4.903 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -1.569 -3.429 -5.837 1.00 0.00 H new ATOM 162 N ASN A 11 -0.830 -6.928 -5.844 1.00 0.00 N ATOM 163 CA ASN A 11 -0.642 -8.380 -5.509 1.00 0.00 C ATOM 164 C ASN A 11 -0.979 -9.299 -6.664 1.00 0.00 C ATOM 165 O ASN A 11 -0.198 -9.465 -7.579 1.00 0.00 O ATOM 166 CB ASN A 11 -1.578 -8.718 -4.332 1.00 0.00 C ATOM 167 CG ASN A 11 -1.076 -8.029 -3.067 1.00 0.00 C ATOM 168 OD1 ASN A 11 -0.199 -7.190 -3.109 1.00 0.00 O ATOM 169 ND2 ASN A 11 -1.602 -8.360 -1.918 1.00 0.00 N ATOM 0 H ASN A 11 -1.790 -6.586 -5.809 1.00 0.00 H new ATOM 0 HA ASN A 11 0.409 -8.535 -5.264 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -2.594 -8.393 -4.557 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -1.614 -9.797 -4.181 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -1.276 -7.914 -1.060 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -2.339 -9.064 -1.878 1.00 0.00 H new ATOM 176 N ASP A 12 -2.152 -9.857 -6.606 1.00 0.00 N ATOM 177 CA ASP A 12 -2.582 -10.773 -7.668 1.00 0.00 C ATOM 178 C ASP A 12 -4.023 -11.217 -7.421 1.00 0.00 C ATOM 179 O ASP A 12 -4.870 -10.401 -7.128 1.00 0.00 O ATOM 180 CB ASP A 12 -1.670 -12.022 -7.651 1.00 0.00 C ATOM 181 CG ASP A 12 -1.860 -12.801 -8.955 1.00 0.00 C ATOM 182 OD1 ASP A 12 -1.541 -12.223 -9.982 1.00 0.00 O ATOM 183 OD2 ASP A 12 -2.313 -13.929 -8.851 1.00 0.00 O ATOM 0 H ASP A 12 -2.830 -9.710 -5.858 1.00 0.00 H new ATOM 0 HA ASP A 12 -2.517 -10.265 -8.630 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -0.627 -11.724 -7.540 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -1.914 -12.654 -6.797 1.00 0.00 H new ATOM 188 N TYR A 13 -4.265 -12.524 -7.514 1.00 0.00 N ATOM 189 CA TYR A 13 -5.654 -13.058 -7.290 1.00 0.00 C ATOM 190 C TYR A 13 -6.480 -12.163 -6.389 1.00 0.00 C ATOM 191 O TYR A 13 -6.435 -12.254 -5.178 1.00 0.00 O ATOM 192 CB TYR A 13 -5.587 -14.419 -6.641 1.00 0.00 C ATOM 193 CG TYR A 13 -4.765 -15.389 -7.503 1.00 0.00 C ATOM 194 CD1 TYR A 13 -5.314 -15.978 -8.633 1.00 0.00 C ATOM 195 CD2 TYR A 13 -3.480 -15.725 -7.136 1.00 0.00 C ATOM 196 CE1 TYR A 13 -4.586 -16.891 -9.368 1.00 0.00 C ATOM 197 CE2 TYR A 13 -2.753 -16.636 -7.875 1.00 0.00 C ATOM 198 CZ TYR A 13 -3.300 -17.226 -8.996 1.00 0.00 C ATOM 199 OH TYR A 13 -2.573 -18.139 -9.732 1.00 0.00 O ATOM 0 H TYR A 13 -3.562 -13.229 -7.734 1.00 0.00 H new ATOM 0 HA TYR A 13 -6.127 -13.107 -8.271 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -5.139 -14.334 -5.651 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -6.594 -14.812 -6.502 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -6.317 -15.720 -8.939 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -3.038 -15.271 -6.262 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -5.026 -17.347 -10.242 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -1.747 -16.889 -7.573 1.00 0.00 H new ATOM 0 HH TYR A 13 -1.688 -18.255 -9.328 1.00 0.00 H new ATOM 209 N ALA A 14 -7.208 -11.329 -7.015 1.00 0.00 N ATOM 210 CA ALA A 14 -8.073 -10.384 -6.284 1.00 0.00 C ATOM 211 C ALA A 14 -9.116 -11.126 -5.455 1.00 0.00 C ATOM 212 O ALA A 14 -9.636 -12.143 -5.869 1.00 0.00 O ATOM 213 CB ALA A 14 -8.779 -9.498 -7.330 1.00 0.00 C ATOM 0 H ALA A 14 -7.250 -11.250 -8.031 1.00 0.00 H new ATOM 0 HA ALA A 14 -7.471 -9.785 -5.601 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -9.429 -8.785 -6.823 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -8.033 -8.958 -7.913 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -9.375 -10.124 -7.994 1.00 0.00 H new ATOM 219 N SER A 15 -9.401 -10.601 -4.296 1.00 0.00 N ATOM 220 CA SER A 15 -10.404 -11.257 -3.421 1.00 0.00 C ATOM 221 C SER A 15 -11.825 -10.950 -3.880 1.00 0.00 C ATOM 222 O SER A 15 -12.779 -11.464 -3.330 1.00 0.00 O ATOM 223 CB SER A 15 -10.221 -10.719 -1.994 1.00 0.00 C ATOM 224 OG SER A 15 -11.277 -11.318 -1.259 1.00 0.00 O ATOM 0 H SER A 15 -8.983 -9.750 -3.921 1.00 0.00 H new ATOM 0 HA SER A 15 -10.255 -12.336 -3.463 1.00 0.00 H new ATOM 0 HB2 SER A 15 -9.247 -10.992 -1.587 1.00 0.00 H new ATOM 0 HB3 SER A 15 -10.284 -9.631 -1.967 1.00 0.00 H new ATOM 0 HG SER A 15 -11.920 -11.721 -1.879 1.00 0.00 H new ATOM 230 N GLY A 16 -11.947 -10.115 -4.884 1.00 0.00 N ATOM 231 CA GLY A 16 -13.316 -9.767 -5.391 1.00 0.00 C ATOM 232 C GLY A 16 -13.353 -8.330 -5.907 1.00 0.00 C ATOM 233 O GLY A 16 -12.420 -7.573 -5.725 1.00 0.00 O ATOM 0 H GLY A 16 -11.172 -9.664 -5.370 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -13.598 -10.453 -6.190 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -14.047 -9.890 -4.592 1.00 0.00 H new ATOM 237 N TYR A 17 -14.442 -7.985 -6.546 1.00 0.00 N ATOM 238 CA TYR A 17 -14.580 -6.605 -7.091 1.00 0.00 C ATOM 239 C TYR A 17 -15.077 -5.635 -6.016 1.00 0.00 C ATOM 240 O TYR A 17 -16.111 -5.843 -5.415 1.00 0.00 O ATOM 241 CB TYR A 17 -15.614 -6.648 -8.269 1.00 0.00 C ATOM 242 CG TYR A 17 -15.098 -5.821 -9.462 1.00 0.00 C ATOM 243 CD1 TYR A 17 -13.923 -6.164 -10.092 1.00 0.00 C ATOM 244 CD2 TYR A 17 -15.811 -4.730 -9.924 1.00 0.00 C ATOM 245 CE1 TYR A 17 -13.463 -5.433 -11.172 1.00 0.00 C ATOM 246 CE2 TYR A 17 -15.352 -3.999 -11.002 1.00 0.00 C ATOM 247 CZ TYR A 17 -14.175 -4.345 -11.634 1.00 0.00 C ATOM 248 OH TYR A 17 -13.718 -3.615 -12.712 1.00 0.00 O ATOM 0 H TYR A 17 -15.239 -8.600 -6.713 1.00 0.00 H new ATOM 0 HA TYR A 17 -13.607 -6.256 -7.437 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -15.781 -7.680 -8.578 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -16.574 -6.256 -7.934 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -13.355 -7.012 -9.739 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -16.733 -4.448 -9.438 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -12.540 -5.716 -11.657 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -15.919 -3.150 -11.353 1.00 0.00 H new ATOM 0 HH TYR A 17 -13.870 -2.661 -12.549 1.00 0.00 H new ATOM 258 N HIS A 18 -14.322 -4.594 -5.798 1.00 0.00 N ATOM 259 CA HIS A 18 -14.723 -3.594 -4.775 1.00 0.00 C ATOM 260 C HIS A 18 -14.016 -2.276 -5.038 1.00 0.00 C ATOM 261 O HIS A 18 -13.973 -1.416 -4.184 1.00 0.00 O ATOM 262 CB HIS A 18 -14.336 -4.108 -3.340 1.00 0.00 C ATOM 263 CG HIS A 18 -13.444 -5.354 -3.416 1.00 0.00 C ATOM 264 ND1 HIS A 18 -12.180 -5.351 -3.488 1.00 0.00 N ATOM 265 CD2 HIS A 18 -13.801 -6.683 -3.314 1.00 0.00 C ATOM 266 CE1 HIS A 18 -11.720 -6.529 -3.423 1.00 0.00 C ATOM 267 NE2 HIS A 18 -12.679 -7.449 -3.317 1.00 0.00 N ATOM 0 H HIS A 18 -13.447 -4.395 -6.284 1.00 0.00 H new ATOM 0 HA HIS A 18 -15.802 -3.449 -4.831 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -13.816 -3.319 -2.797 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -15.241 -4.340 -2.778 1.00 0.00 H new ATOM 0 HD1 HIS A 18 -11.608 -4.512 -3.585 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -14.812 -7.055 -3.243 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -10.666 -6.763 -3.450 1.00 0.00 H new ATOM 275 N TYR A 19 -13.486 -2.132 -6.220 1.00 0.00 N ATOM 276 CA TYR A 19 -12.780 -0.873 -6.540 1.00 0.00 C ATOM 277 C TYR A 19 -12.738 -0.654 -8.057 1.00 0.00 C ATOM 278 O TYR A 19 -11.763 -0.168 -8.595 1.00 0.00 O ATOM 279 CB TYR A 19 -11.335 -1.010 -5.967 1.00 0.00 C ATOM 280 CG TYR A 19 -11.294 -0.384 -4.572 1.00 0.00 C ATOM 281 CD1 TYR A 19 -11.159 0.972 -4.418 1.00 0.00 C ATOM 282 CD2 TYR A 19 -11.479 -1.165 -3.455 1.00 0.00 C ATOM 283 CE1 TYR A 19 -11.228 1.538 -3.160 1.00 0.00 C ATOM 284 CE2 TYR A 19 -11.539 -0.592 -2.207 1.00 0.00 C ATOM 285 CZ TYR A 19 -11.416 0.758 -2.053 1.00 0.00 C ATOM 286 OH TYR A 19 -11.476 1.323 -0.802 1.00 0.00 O ATOM 0 H TYR A 19 -13.513 -2.826 -6.967 1.00 0.00 H new ATOM 0 HA TYR A 19 -13.292 -0.016 -6.103 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -11.047 -2.060 -5.918 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -10.620 -0.514 -6.624 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -10.998 1.599 -5.283 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -11.578 -2.235 -3.559 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -11.132 2.608 -3.050 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -11.685 -1.217 -1.339 1.00 0.00 H new ATOM 0 HH TYR A 19 -11.615 0.621 -0.132 1.00 0.00 H new ATOM 296 N GLY A 20 -13.806 -1.012 -8.714 1.00 0.00 N ATOM 297 CA GLY A 20 -13.844 -0.832 -10.189 1.00 0.00 C ATOM 298 C GLY A 20 -12.753 -1.672 -10.827 1.00 0.00 C ATOM 299 O GLY A 20 -12.453 -1.534 -11.997 1.00 0.00 O ATOM 0 H GLY A 20 -14.645 -1.417 -8.298 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -14.819 -1.126 -10.577 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -13.704 0.219 -10.442 1.00 0.00 H new ATOM 303 N VAL A 21 -12.179 -2.530 -10.035 1.00 0.00 N ATOM 304 CA VAL A 21 -11.100 -3.402 -10.558 1.00 0.00 C ATOM 305 C VAL A 21 -10.920 -4.612 -9.684 1.00 0.00 C ATOM 306 O VAL A 21 -11.205 -4.585 -8.504 1.00 0.00 O ATOM 307 CB VAL A 21 -9.743 -2.616 -10.546 1.00 0.00 C ATOM 308 CG1 VAL A 21 -9.684 -1.655 -11.750 1.00 0.00 C ATOM 309 CG2 VAL A 21 -9.583 -1.821 -9.187 1.00 0.00 C ATOM 0 H VAL A 21 -12.411 -2.664 -9.051 1.00 0.00 H new ATOM 0 HA VAL A 21 -11.376 -3.707 -11.567 1.00 0.00 H new ATOM 0 HB VAL A 21 -8.919 -3.325 -10.626 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -8.739 -1.112 -11.736 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -9.761 -2.226 -12.675 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -10.510 -0.947 -11.691 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -8.637 -1.280 -9.191 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -10.405 -1.114 -9.080 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -9.596 -2.521 -8.352 1.00 0.00 H new ATOM 319 N TRP A 22 -10.446 -5.657 -10.279 1.00 0.00 N ATOM 320 CA TRP A 22 -10.233 -6.883 -9.490 1.00 0.00 C ATOM 321 C TRP A 22 -9.047 -6.636 -8.605 1.00 0.00 C ATOM 322 O TRP A 22 -7.973 -7.078 -8.888 1.00 0.00 O ATOM 323 CB TRP A 22 -9.920 -8.059 -10.436 1.00 0.00 C ATOM 324 CG TRP A 22 -11.138 -8.341 -11.301 1.00 0.00 C ATOM 325 CD1 TRP A 22 -11.265 -7.916 -12.536 1.00 0.00 C ATOM 326 CD2 TRP A 22 -12.211 -8.978 -10.902 1.00 0.00 C ATOM 327 NE1 TRP A 22 -12.499 -8.317 -12.886 1.00 0.00 N ATOM 328 CE2 TRP A 22 -13.169 -9.009 -11.895 1.00 0.00 C ATOM 329 CE3 TRP A 22 -12.464 -9.578 -9.683 1.00 0.00 C ATOM 330 CZ2 TRP A 22 -14.377 -9.639 -11.671 1.00 0.00 C ATOM 331 CZ3 TRP A 22 -13.672 -10.207 -9.462 1.00 0.00 C ATOM 332 CH2 TRP A 22 -14.628 -10.238 -10.455 1.00 0.00 C ATOM 0 H TRP A 22 -10.199 -5.715 -11.267 1.00 0.00 H new ATOM 0 HA TRP A 22 -11.120 -7.127 -8.906 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -9.061 -7.819 -11.063 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -9.655 -8.945 -9.859 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -10.547 -7.372 -13.131 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -12.905 -8.127 -13.802 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -11.717 -9.555 -8.904 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -15.126 -9.663 -12.449 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -13.869 -10.676 -8.509 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -15.573 -10.731 -10.280 1.00 0.00 H new ATOM 343 N SER A 23 -9.276 -5.907 -7.541 1.00 0.00 N ATOM 344 CA SER A 23 -8.173 -5.585 -6.585 1.00 0.00 C ATOM 345 C SER A 23 -8.223 -6.519 -5.386 1.00 0.00 C ATOM 346 O SER A 23 -9.243 -7.090 -5.103 1.00 0.00 O ATOM 347 CB SER A 23 -8.350 -4.101 -6.140 1.00 0.00 C ATOM 348 OG SER A 23 -9.295 -3.574 -7.057 1.00 0.00 O ATOM 0 H SER A 23 -10.186 -5.519 -7.293 1.00 0.00 H new ATOM 0 HA SER A 23 -7.202 -5.719 -7.062 1.00 0.00 H new ATOM 0 HB2 SER A 23 -8.710 -4.033 -5.114 1.00 0.00 H new ATOM 0 HB3 SER A 23 -7.407 -3.557 -6.183 1.00 0.00 H new ATOM 0 HG SER A 23 -9.314 -2.597 -6.982 1.00 0.00 H new ATOM 354 N CYS A 24 -7.108 -6.677 -4.702 1.00 0.00 N ATOM 355 CA CYS A 24 -7.121 -7.597 -3.512 1.00 0.00 C ATOM 356 C CYS A 24 -7.720 -6.925 -2.251 1.00 0.00 C ATOM 357 O CYS A 24 -8.368 -5.904 -2.347 1.00 0.00 O ATOM 358 CB CYS A 24 -5.692 -8.119 -3.245 1.00 0.00 C ATOM 359 SG CYS A 24 -4.322 -6.949 -3.115 1.00 0.00 S ATOM 0 H CYS A 24 -6.217 -6.225 -4.907 1.00 0.00 H new ATOM 0 HA CYS A 24 -7.773 -8.439 -3.745 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -5.722 -8.690 -2.317 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -5.447 -8.820 -4.043 1.00 0.00 H new ATOM 364 N GLU A 25 -7.486 -7.521 -1.083 1.00 0.00 N ATOM 365 CA GLU A 25 -8.045 -6.931 0.193 1.00 0.00 C ATOM 366 C GLU A 25 -7.135 -5.885 0.864 1.00 0.00 C ATOM 367 O GLU A 25 -7.362 -4.701 0.728 1.00 0.00 O ATOM 368 CB GLU A 25 -8.273 -8.096 1.180 1.00 0.00 C ATOM 369 CG GLU A 25 -9.120 -7.608 2.362 1.00 0.00 C ATOM 370 CD GLU A 25 -10.545 -7.325 1.884 1.00 0.00 C ATOM 371 OE1 GLU A 25 -11.008 -8.106 1.069 1.00 0.00 O ATOM 372 OE2 GLU A 25 -11.091 -6.344 2.362 1.00 0.00 O ATOM 0 H GLU A 25 -6.941 -8.375 -0.964 1.00 0.00 H new ATOM 0 HA GLU A 25 -8.963 -6.405 -0.069 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -8.775 -8.921 0.675 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -7.316 -8.476 1.537 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -9.132 -8.361 3.150 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -8.682 -6.706 2.789 1.00 0.00 H new ATOM 379 N GLY A 26 -6.144 -6.346 1.599 1.00 0.00 N ATOM 380 CA GLY A 26 -5.202 -5.378 2.299 1.00 0.00 C ATOM 381 C GLY A 26 -4.906 -4.169 1.412 1.00 0.00 C ATOM 382 O GLY A 26 -4.558 -3.104 1.881 1.00 0.00 O ATOM 0 H GLY A 26 -5.941 -7.334 1.749 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -5.646 -5.046 3.237 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -4.271 -5.887 2.550 1.00 0.00 H new ATOM 386 N CYS A 27 -5.053 -4.382 0.160 1.00 0.00 N ATOM 387 CA CYS A 27 -4.808 -3.322 -0.829 1.00 0.00 C ATOM 388 C CYS A 27 -5.978 -2.369 -0.863 1.00 0.00 C ATOM 389 O CYS A 27 -5.816 -1.165 -0.859 1.00 0.00 O ATOM 390 CB CYS A 27 -4.692 -4.066 -2.135 1.00 0.00 C ATOM 391 SG CYS A 27 -4.635 -3.195 -3.684 1.00 0.00 S ATOM 0 H CYS A 27 -5.342 -5.275 -0.238 1.00 0.00 H new ATOM 0 HA CYS A 27 -3.923 -2.725 -0.608 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -3.789 -4.673 -2.077 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -5.536 -4.754 -2.187 1.00 0.00 H new ATOM 396 N LYS A 28 -7.137 -2.933 -0.899 1.00 0.00 N ATOM 397 CA LYS A 28 -8.354 -2.108 -0.929 1.00 0.00 C ATOM 398 C LYS A 28 -8.361 -1.204 0.301 1.00 0.00 C ATOM 399 O LYS A 28 -8.708 -0.048 0.221 1.00 0.00 O ATOM 400 CB LYS A 28 -9.580 -3.110 -0.937 1.00 0.00 C ATOM 401 CG LYS A 28 -10.380 -3.073 0.394 1.00 0.00 C ATOM 402 CD LYS A 28 -11.555 -4.046 0.297 1.00 0.00 C ATOM 403 CE LYS A 28 -12.511 -3.791 1.465 1.00 0.00 C ATOM 404 NZ LYS A 28 -13.200 -2.480 1.294 1.00 0.00 N ATOM 0 H LYS A 28 -7.295 -3.941 -0.909 1.00 0.00 H new ATOM 0 HA LYS A 28 -8.406 -1.465 -1.807 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -10.244 -2.861 -1.765 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -9.218 -4.123 -1.112 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -9.734 -3.345 1.229 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -10.742 -2.063 0.587 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -12.076 -3.914 -0.651 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -11.195 -5.075 0.323 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -13.248 -4.592 1.522 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -11.958 -3.799 2.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -14.097 -2.488 1.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -12.592 -1.718 1.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -13.392 -2.318 0.285 1.00 0.00 H new ATOM 418 N ALA A 29 -7.961 -1.761 1.410 1.00 0.00 N ATOM 419 CA ALA A 29 -7.930 -0.966 2.658 1.00 0.00 C ATOM 420 C ALA A 29 -6.872 0.119 2.559 1.00 0.00 C ATOM 421 O ALA A 29 -7.139 1.278 2.809 1.00 0.00 O ATOM 422 CB ALA A 29 -7.578 -1.911 3.824 1.00 0.00 C ATOM 0 H ALA A 29 -7.656 -2.730 1.501 1.00 0.00 H new ATOM 0 HA ALA A 29 -8.901 -0.498 2.821 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -7.550 -1.345 4.755 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -8.333 -2.694 3.898 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -6.603 -2.363 3.644 1.00 0.00 H new ATOM 428 N PHE A 30 -5.685 -0.277 2.196 1.00 0.00 N ATOM 429 CA PHE A 30 -4.594 0.719 2.072 1.00 0.00 C ATOM 430 C PHE A 30 -5.028 1.836 1.184 1.00 0.00 C ATOM 431 O PHE A 30 -4.839 2.997 1.487 1.00 0.00 O ATOM 432 CB PHE A 30 -3.372 0.037 1.414 1.00 0.00 C ATOM 433 CG PHE A 30 -2.273 1.095 1.127 1.00 0.00 C ATOM 434 CD1 PHE A 30 -2.367 1.939 0.011 1.00 0.00 C ATOM 435 CD2 PHE A 30 -1.191 1.247 1.990 1.00 0.00 C ATOM 436 CE1 PHE A 30 -1.397 2.912 -0.219 1.00 0.00 C ATOM 437 CE2 PHE A 30 -0.238 2.219 1.747 1.00 0.00 C ATOM 438 CZ PHE A 30 -0.346 3.045 0.649 1.00 0.00 C ATOM 0 H PHE A 30 -5.427 -1.240 1.982 1.00 0.00 H new ATOM 0 HA PHE A 30 -4.344 1.103 3.061 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -2.980 -0.740 2.071 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -3.672 -0.451 0.486 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -3.196 1.834 -0.674 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -1.096 0.604 2.852 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -1.474 3.560 -1.080 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.597 2.332 2.423 1.00 0.00 H new ATOM 0 HZ PHE A 30 0.403 3.802 0.472 1.00 0.00 H new ATOM 448 N PHE A 31 -5.603 1.469 0.099 1.00 0.00 N ATOM 449 CA PHE A 31 -6.062 2.490 -0.838 1.00 0.00 C ATOM 450 C PHE A 31 -7.207 3.316 -0.241 1.00 0.00 C ATOM 451 O PHE A 31 -7.276 4.499 -0.461 1.00 0.00 O ATOM 452 CB PHE A 31 -6.542 1.774 -2.108 1.00 0.00 C ATOM 453 CG PHE A 31 -6.899 2.811 -3.172 1.00 0.00 C ATOM 454 CD1 PHE A 31 -5.963 3.718 -3.602 1.00 0.00 C ATOM 455 CD2 PHE A 31 -8.174 2.863 -3.695 1.00 0.00 C ATOM 456 CE1 PHE A 31 -6.282 4.657 -4.520 1.00 0.00 C ATOM 457 CE2 PHE A 31 -8.520 3.817 -4.626 1.00 0.00 C ATOM 458 CZ PHE A 31 -7.565 4.723 -5.047 1.00 0.00 C ATOM 0 H PHE A 31 -5.775 0.503 -0.180 1.00 0.00 H new ATOM 0 HA PHE A 31 -5.246 3.177 -1.061 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -5.763 1.109 -2.480 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -7.410 1.154 -1.883 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -4.960 3.681 -3.202 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -8.912 2.145 -3.370 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -5.532 5.362 -4.847 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -9.524 3.857 -5.022 1.00 0.00 H new ATOM 0 HZ PHE A 31 -7.815 5.476 -5.780 1.00 0.00 H new ATOM 468 N LYS A 32 -8.063 2.676 0.531 1.00 0.00 N ATOM 469 CA LYS A 32 -9.213 3.423 1.152 1.00 0.00 C ATOM 470 C LYS A 32 -8.717 4.457 2.144 1.00 0.00 C ATOM 471 O LYS A 32 -9.234 5.554 2.220 1.00 0.00 O ATOM 472 CB LYS A 32 -10.134 2.396 1.901 1.00 0.00 C ATOM 473 CG LYS A 32 -11.620 2.809 1.764 1.00 0.00 C ATOM 474 CD LYS A 32 -11.891 4.060 2.613 1.00 0.00 C ATOM 475 CE LYS A 32 -13.404 4.231 2.792 1.00 0.00 C ATOM 476 NZ LYS A 32 -13.703 5.487 3.536 1.00 0.00 N ATOM 0 H LYS A 32 -8.017 1.682 0.756 1.00 0.00 H new ATOM 0 HA LYS A 32 -9.765 3.936 0.365 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -9.987 1.398 1.489 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -9.858 2.350 2.954 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -11.857 3.009 0.719 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -12.266 1.992 2.087 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -11.406 3.966 3.585 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -11.468 4.941 2.129 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -13.891 4.254 1.817 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -13.811 3.376 3.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -14.732 5.587 3.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -13.254 5.450 4.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -13.332 6.301 3.006 1.00 0.00 H new ATOM 490 N ARG A 33 -7.720 4.095 2.881 1.00 0.00 N ATOM 491 CA ARG A 33 -7.172 5.042 3.880 1.00 0.00 C ATOM 492 C ARG A 33 -6.223 6.028 3.224 1.00 0.00 C ATOM 493 O ARG A 33 -5.861 7.031 3.805 1.00 0.00 O ATOM 494 CB ARG A 33 -6.384 4.209 4.903 1.00 0.00 C ATOM 495 CG ARG A 33 -5.702 5.125 5.940 1.00 0.00 C ATOM 496 CD ARG A 33 -6.737 6.074 6.564 1.00 0.00 C ATOM 497 NE ARG A 33 -6.231 6.542 7.885 1.00 0.00 N ATOM 498 CZ ARG A 33 -6.128 5.693 8.872 1.00 0.00 C ATOM 499 NH1 ARG A 33 -6.748 4.548 8.788 1.00 0.00 N ATOM 500 NH2 ARG A 33 -5.405 6.018 9.909 1.00 0.00 N ATOM 0 H ARG A 33 -7.258 3.186 2.838 1.00 0.00 H new ATOM 0 HA ARG A 33 -7.983 5.603 4.345 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -7.055 3.515 5.409 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -5.632 3.609 4.390 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -5.234 4.522 6.718 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -4.909 5.701 5.463 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -6.913 6.925 5.905 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -7.692 5.562 6.686 1.00 0.00 H new ATOM 0 HE ARG A 33 -5.967 7.518 8.017 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -7.302 4.328 7.961 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -6.678 3.873 9.550 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -4.933 6.922 9.938 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -5.312 5.368 10.690 1.00 0.00 H new ATOM 514 N SER A 34 -5.855 5.733 2.003 1.00 0.00 N ATOM 515 CA SER A 34 -4.912 6.636 1.262 1.00 0.00 C ATOM 516 C SER A 34 -5.509 7.310 0.021 1.00 0.00 C ATOM 517 O SER A 34 -4.812 8.045 -0.645 1.00 0.00 O ATOM 518 CB SER A 34 -3.779 5.756 0.777 1.00 0.00 C ATOM 519 OG SER A 34 -3.153 5.298 1.967 1.00 0.00 O ATOM 0 H SER A 34 -6.163 4.910 1.486 1.00 0.00 H new ATOM 0 HA SER A 34 -4.623 7.434 1.945 1.00 0.00 H new ATOM 0 HB2 SER A 34 -4.150 4.924 0.178 1.00 0.00 H new ATOM 0 HB3 SER A 34 -3.083 6.314 0.151 1.00 0.00 H new ATOM 0 HG SER A 34 -2.509 5.968 2.277 1.00 0.00 H new ATOM 525 N ILE A 35 -6.758 7.059 -0.291 1.00 0.00 N ATOM 526 CA ILE A 35 -7.330 7.735 -1.524 1.00 0.00 C ATOM 527 C ILE A 35 -6.924 9.192 -1.610 1.00 0.00 C ATOM 528 O ILE A 35 -7.042 9.802 -2.654 1.00 0.00 O ATOM 529 CB ILE A 35 -8.878 7.673 -1.568 1.00 0.00 C ATOM 530 CG1 ILE A 35 -9.400 6.305 -1.134 1.00 0.00 C ATOM 531 CG2 ILE A 35 -9.329 7.948 -3.041 1.00 0.00 C ATOM 532 CD1 ILE A 35 -9.094 5.251 -2.214 1.00 0.00 C ATOM 0 H ILE A 35 -7.391 6.445 0.221 1.00 0.00 H new ATOM 0 HA ILE A 35 -6.919 7.182 -2.368 1.00 0.00 H new ATOM 0 HB ILE A 35 -9.281 8.417 -0.881 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -8.938 6.014 -0.191 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -10.475 6.356 -0.960 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -10.417 7.910 -3.102 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -8.982 8.934 -3.350 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -8.903 7.191 -3.699 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -9.471 4.280 -1.892 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -9.577 5.537 -3.148 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -8.017 5.189 -2.367 1.00 0.00 H new ATOM 544 N GLN A 36 -6.467 9.748 -0.535 1.00 0.00 N ATOM 545 CA GLN A 36 -6.067 11.155 -0.615 1.00 0.00 C ATOM 546 C GLN A 36 -4.829 11.260 -1.484 1.00 0.00 C ATOM 547 O GLN A 36 -3.991 10.382 -1.480 1.00 0.00 O ATOM 548 CB GLN A 36 -5.734 11.677 0.778 1.00 0.00 C ATOM 549 CG GLN A 36 -6.992 11.622 1.648 1.00 0.00 C ATOM 550 CD GLN A 36 -6.611 11.885 3.106 1.00 0.00 C ATOM 551 OE1 GLN A 36 -6.647 11.001 3.939 1.00 0.00 O ATOM 552 NE2 GLN A 36 -6.242 13.086 3.457 1.00 0.00 N ATOM 0 H GLN A 36 -6.357 9.297 0.373 1.00 0.00 H new ATOM 0 HA GLN A 36 -6.882 11.742 -1.038 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -4.941 11.077 1.225 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -5.363 12.700 0.717 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -7.715 12.364 1.310 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -7.470 10.647 1.555 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -6.209 13.833 2.763 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -5.986 13.278 4.425 1.00 0.00 H new ATOM 561 N GLY A 37 -4.732 12.322 -2.209 1.00 0.00 N ATOM 562 CA GLY A 37 -3.538 12.502 -3.099 1.00 0.00 C ATOM 563 C GLY A 37 -2.473 13.297 -2.362 1.00 0.00 C ATOM 564 O GLY A 37 -1.483 12.757 -1.909 1.00 0.00 O ATOM 0 H GLY A 37 -5.416 13.078 -2.235 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -3.142 11.531 -3.395 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -3.827 13.021 -4.013 1.00 0.00 H new ATOM 568 N HIS A 38 -2.703 14.572 -2.262 1.00 0.00 N ATOM 569 CA HIS A 38 -1.730 15.441 -1.560 1.00 0.00 C ATOM 570 C HIS A 38 -1.516 14.958 -0.131 1.00 0.00 C ATOM 571 O HIS A 38 -2.345 15.172 0.732 1.00 0.00 O ATOM 572 CB HIS A 38 -2.297 16.870 -1.520 1.00 0.00 C ATOM 573 CG HIS A 38 -1.265 17.808 -0.891 1.00 0.00 C ATOM 574 ND1 HIS A 38 -0.689 18.740 -1.490 1.00 0.00 N ATOM 575 CD2 HIS A 38 -0.766 17.836 0.398 1.00 0.00 C ATOM 576 CE1 HIS A 38 0.116 19.355 -0.729 1.00 0.00 C ATOM 577 NE2 HIS A 38 0.138 18.848 0.504 1.00 0.00 N ATOM 0 H HIS A 38 -3.523 15.049 -2.636 1.00 0.00 H new ATOM 0 HA HIS A 38 -0.777 15.413 -2.088 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -2.542 17.204 -2.528 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -3.222 16.890 -0.944 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -1.048 17.163 1.194 1.00 0.00 H new ATOM 0 HE1 HIS A 38 0.717 20.195 -1.044 1.00 0.00 H new ATOM 0 HE2 HIS A 38 0.687 19.141 1.312 1.00 0.00 H new ATOM 585 N ASN A 39 -0.409 14.315 0.092 1.00 0.00 N ATOM 586 CA ASN A 39 -0.115 13.809 1.451 1.00 0.00 C ATOM 587 C ASN A 39 1.316 13.333 1.543 1.00 0.00 C ATOM 588 O ASN A 39 1.930 13.004 0.546 1.00 0.00 O ATOM 589 CB ASN A 39 -1.040 12.632 1.735 1.00 0.00 C ATOM 590 CG ASN A 39 -1.052 12.351 3.242 1.00 0.00 C ATOM 591 OD1 ASN A 39 -2.055 12.516 3.907 1.00 0.00 O ATOM 592 ND2 ASN A 39 0.041 11.927 3.815 1.00 0.00 N ATOM 0 H ASN A 39 0.304 14.119 -0.610 1.00 0.00 H new ATOM 0 HA ASN A 39 -0.267 14.611 2.173 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -2.049 12.855 1.387 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -0.703 11.750 1.191 1.00 0.00 H new ATOM 0 HD21 ASN A 39 0.050 11.736 4.817 1.00 0.00 H new ATOM 0 HD22 ASN A 39 0.886 11.787 3.261 1.00 0.00 H new ATOM 599 N ASP A 40 1.832 13.302 2.733 1.00 0.00 N ATOM 600 CA ASP A 40 3.234 12.841 2.889 1.00 0.00 C ATOM 601 C ASP A 40 3.245 11.353 2.797 1.00 0.00 C ATOM 602 O ASP A 40 2.755 10.666 3.671 1.00 0.00 O ATOM 603 CB ASP A 40 3.777 13.249 4.240 1.00 0.00 C ATOM 604 CG ASP A 40 2.800 12.822 5.336 1.00 0.00 C ATOM 605 OD1 ASP A 40 1.721 13.390 5.353 1.00 0.00 O ATOM 606 OD2 ASP A 40 3.189 11.950 6.096 1.00 0.00 O ATOM 0 H ASP A 40 1.354 13.571 3.593 1.00 0.00 H new ATOM 0 HA ASP A 40 3.853 13.288 2.111 1.00 0.00 H new ATOM 0 HB2 ASP A 40 4.750 12.787 4.406 1.00 0.00 H new ATOM 0 HB3 ASP A 40 3.926 14.328 4.272 1.00 0.00 H new ATOM 611 N TYR A 41 3.804 10.877 1.741 1.00 0.00 N ATOM 612 CA TYR A 41 3.876 9.398 1.519 1.00 0.00 C ATOM 613 C TYR A 41 5.317 8.941 1.320 1.00 0.00 C ATOM 614 O TYR A 41 6.242 9.724 1.398 1.00 0.00 O ATOM 615 CB TYR A 41 3.038 9.083 0.229 1.00 0.00 C ATOM 616 CG TYR A 41 1.589 8.707 0.624 1.00 0.00 C ATOM 617 CD1 TYR A 41 0.835 9.549 1.411 1.00 0.00 C ATOM 618 CD2 TYR A 41 1.053 7.498 0.237 1.00 0.00 C ATOM 619 CE1 TYR A 41 -0.422 9.196 1.823 1.00 0.00 C ATOM 620 CE2 TYR A 41 -0.225 7.123 0.647 1.00 0.00 C ATOM 621 CZ TYR A 41 -0.971 7.979 1.450 1.00 0.00 C ATOM 622 OH TYR A 41 -2.222 7.621 1.888 1.00 0.00 O ATOM 0 H TYR A 41 4.224 11.443 1.004 1.00 0.00 H new ATOM 0 HA TYR A 41 3.483 8.871 2.388 1.00 0.00 H new ATOM 0 HB2 TYR A 41 3.031 9.950 -0.432 1.00 0.00 H new ATOM 0 HB3 TYR A 41 3.498 8.264 -0.324 1.00 0.00 H new ATOM 0 HD1 TYR A 41 1.242 10.504 1.708 1.00 0.00 H new ATOM 0 HD2 TYR A 41 1.629 6.834 -0.391 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -0.991 9.872 2.444 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -0.635 6.171 0.342 1.00 0.00 H new ATOM 0 HH TYR A 41 -2.682 8.410 2.245 1.00 0.00 H new ATOM 632 N MET A 42 5.469 7.672 1.074 1.00 0.00 N ATOM 633 CA MET A 42 6.827 7.114 0.866 1.00 0.00 C ATOM 634 C MET A 42 7.607 7.853 -0.223 1.00 0.00 C ATOM 635 O MET A 42 7.292 8.970 -0.579 1.00 0.00 O ATOM 636 CB MET A 42 6.698 5.586 0.511 1.00 0.00 C ATOM 637 CG MET A 42 7.664 4.759 1.381 1.00 0.00 C ATOM 638 SD MET A 42 7.555 4.965 3.177 1.00 0.00 S ATOM 639 CE MET A 42 9.170 4.253 3.583 1.00 0.00 C ATOM 0 H MET A 42 4.707 6.997 1.008 1.00 0.00 H new ATOM 0 HA MET A 42 7.392 7.243 1.789 1.00 0.00 H new ATOM 0 HB2 MET A 42 5.673 5.252 0.673 1.00 0.00 H new ATOM 0 HB3 MET A 42 6.921 5.429 -0.544 1.00 0.00 H new ATOM 0 HG2 MET A 42 7.504 3.705 1.153 1.00 0.00 H new ATOM 0 HG3 MET A 42 8.682 5.000 1.076 1.00 0.00 H new ATOM 0 HE1 MET A 42 9.318 4.278 4.663 1.00 0.00 H new ATOM 0 HE2 MET A 42 9.210 3.221 3.235 1.00 0.00 H new ATOM 0 HE3 MET A 42 9.955 4.831 3.096 1.00 0.00 H new ATOM 649 N CYS A 43 8.609 7.173 -0.704 1.00 0.00 N ATOM 650 CA CYS A 43 9.522 7.715 -1.789 1.00 0.00 C ATOM 651 C CYS A 43 9.056 9.059 -2.392 1.00 0.00 C ATOM 652 O CYS A 43 8.442 9.090 -3.438 1.00 0.00 O ATOM 653 CB CYS A 43 9.606 6.678 -2.919 1.00 0.00 C ATOM 654 SG CYS A 43 8.192 6.497 -4.019 1.00 0.00 S ATOM 0 H CYS A 43 8.853 6.234 -0.390 1.00 0.00 H new ATOM 0 HA CYS A 43 10.489 7.900 -1.320 1.00 0.00 H new ATOM 0 HB2 CYS A 43 10.474 6.923 -3.531 1.00 0.00 H new ATOM 0 HB3 CYS A 43 9.800 5.706 -2.465 1.00 0.00 H new ATOM 659 N PRO A 44 9.359 10.162 -1.707 1.00 0.00 N ATOM 660 CA PRO A 44 8.965 11.479 -2.195 1.00 0.00 C ATOM 661 C PRO A 44 9.813 11.881 -3.419 1.00 0.00 C ATOM 662 O PRO A 44 10.106 13.044 -3.618 1.00 0.00 O ATOM 663 CB PRO A 44 9.233 12.448 -0.995 1.00 0.00 C ATOM 664 CG PRO A 44 9.907 11.599 0.140 1.00 0.00 C ATOM 665 CD PRO A 44 10.060 10.157 -0.405 1.00 0.00 C ATOM 0 HA PRO A 44 7.924 11.503 -2.518 1.00 0.00 H new ATOM 0 HB2 PRO A 44 9.882 13.269 -1.300 1.00 0.00 H new ATOM 0 HB3 PRO A 44 8.302 12.892 -0.643 1.00 0.00 H new ATOM 0 HG2 PRO A 44 10.878 12.015 0.408 1.00 0.00 H new ATOM 0 HG3 PRO A 44 9.296 11.608 1.043 1.00 0.00 H new ATOM 0 HD2 PRO A 44 11.110 9.889 -0.523 1.00 0.00 H new ATOM 0 HD3 PRO A 44 9.620 9.429 0.277 1.00 0.00 H new ATOM 673 N ALA A 45 10.184 10.904 -4.218 1.00 0.00 N ATOM 674 CA ALA A 45 11.006 11.203 -5.422 1.00 0.00 C ATOM 675 C ALA A 45 10.633 10.270 -6.486 1.00 0.00 C ATOM 676 O ALA A 45 10.727 10.577 -7.659 1.00 0.00 O ATOM 677 CB ALA A 45 12.484 11.005 -5.078 1.00 0.00 C ATOM 0 H ALA A 45 9.951 9.920 -4.083 1.00 0.00 H new ATOM 0 HA ALA A 45 10.838 12.230 -5.747 1.00 0.00 H new ATOM 0 HB1 ALA A 45 13.094 11.222 -5.955 1.00 0.00 H new ATOM 0 HB2 ALA A 45 12.762 11.678 -4.267 1.00 0.00 H new ATOM 0 HB3 ALA A 45 12.650 9.974 -4.767 1.00 0.00 H new ATOM 683 N THR A 46 10.236 9.126 -6.077 1.00 0.00 N ATOM 684 CA THR A 46 9.835 8.131 -7.041 1.00 0.00 C ATOM 685 C THR A 46 10.928 7.914 -8.090 1.00 0.00 C ATOM 686 O THR A 46 10.789 8.307 -9.230 1.00 0.00 O ATOM 687 CB THR A 46 8.542 8.664 -7.710 1.00 0.00 C ATOM 688 OG1 THR A 46 7.498 8.272 -6.840 1.00 0.00 O ATOM 689 CG2 THR A 46 8.219 7.937 -9.038 1.00 0.00 C ATOM 0 H THR A 46 10.174 8.841 -5.100 1.00 0.00 H new ATOM 0 HA THR A 46 9.664 7.169 -6.557 1.00 0.00 H new ATOM 0 HB THR A 46 8.652 9.732 -7.895 1.00 0.00 H new ATOM 0 HG1 THR A 46 7.872 7.772 -6.085 1.00 0.00 H new ATOM 0 HG21 THR A 46 7.304 8.348 -9.465 1.00 0.00 H new ATOM 0 HG22 THR A 46 9.042 8.077 -9.739 1.00 0.00 H new ATOM 0 HG23 THR A 46 8.083 6.873 -8.846 1.00 0.00 H new ATOM 697 N ASN A 47 12.014 7.300 -7.677 1.00 0.00 N ATOM 698 CA ASN A 47 13.137 7.047 -8.646 1.00 0.00 C ATOM 699 C ASN A 47 13.777 5.684 -8.422 1.00 0.00 C ATOM 700 O ASN A 47 14.754 5.346 -9.059 1.00 0.00 O ATOM 701 CB ASN A 47 14.203 8.137 -8.449 1.00 0.00 C ATOM 702 CG ASN A 47 14.842 7.982 -7.065 1.00 0.00 C ATOM 703 OD1 ASN A 47 14.162 7.897 -6.061 1.00 0.00 O ATOM 704 ND2 ASN A 47 16.143 7.939 -6.970 1.00 0.00 N ATOM 0 H ASN A 47 12.173 6.967 -6.726 1.00 0.00 H new ATOM 0 HA ASN A 47 12.732 7.067 -9.658 1.00 0.00 H new ATOM 0 HB2 ASN A 47 14.965 8.059 -9.224 1.00 0.00 H new ATOM 0 HB3 ASN A 47 13.751 9.124 -8.544 1.00 0.00 H new ATOM 0 HD21 ASN A 47 16.584 7.834 -6.056 1.00 0.00 H new ATOM 0 HD22 ASN A 47 16.718 8.010 -7.809 1.00 0.00 H new ATOM 711 N GLN A 48 13.201 4.928 -7.543 1.00 0.00 N ATOM 712 CA GLN A 48 13.754 3.569 -7.251 1.00 0.00 C ATOM 713 C GLN A 48 12.864 2.827 -6.264 1.00 0.00 C ATOM 714 O GLN A 48 12.853 3.139 -5.092 1.00 0.00 O ATOM 715 CB GLN A 48 15.148 3.722 -6.615 1.00 0.00 C ATOM 716 CG GLN A 48 15.830 2.352 -6.584 1.00 0.00 C ATOM 717 CD GLN A 48 17.109 2.445 -5.751 1.00 0.00 C ATOM 718 OE1 GLN A 48 17.409 1.577 -4.956 1.00 0.00 O ATOM 719 NE2 GLN A 48 17.890 3.480 -5.903 1.00 0.00 N ATOM 0 H GLN A 48 12.371 5.184 -7.009 1.00 0.00 H new ATOM 0 HA GLN A 48 13.807 3.008 -8.184 1.00 0.00 H new ATOM 0 HB2 GLN A 48 15.748 4.429 -7.187 1.00 0.00 H new ATOM 0 HB3 GLN A 48 15.060 4.123 -5.605 1.00 0.00 H new ATOM 0 HG2 GLN A 48 15.158 1.607 -6.158 1.00 0.00 H new ATOM 0 HG3 GLN A 48 16.065 2.026 -7.597 1.00 0.00 H new ATOM 0 HE21 GLN A 48 17.643 4.212 -6.569 1.00 0.00 H new ATOM 0 HE22 GLN A 48 18.747 3.557 -5.356 1.00 0.00 H new ATOM 728 N CYS A 49 12.152 1.839 -6.746 1.00 0.00 N ATOM 729 CA CYS A 49 11.260 1.074 -5.831 1.00 0.00 C ATOM 730 C CYS A 49 10.744 -0.210 -6.483 1.00 0.00 C ATOM 731 O CYS A 49 11.109 -0.554 -7.590 1.00 0.00 O ATOM 732 CB CYS A 49 10.039 1.957 -5.493 1.00 0.00 C ATOM 733 SG CYS A 49 10.287 3.366 -4.393 1.00 0.00 S ATOM 0 H CYS A 49 12.151 1.534 -7.719 1.00 0.00 H new ATOM 0 HA CYS A 49 11.832 0.808 -4.942 1.00 0.00 H new ATOM 0 HB2 CYS A 49 9.630 2.334 -6.431 1.00 0.00 H new ATOM 0 HB3 CYS A 49 9.277 1.317 -5.048 1.00 0.00 H new ATOM 738 N THR A 50 9.896 -0.884 -5.755 1.00 0.00 N ATOM 739 CA THR A 50 9.303 -2.153 -6.250 1.00 0.00 C ATOM 740 C THR A 50 7.957 -2.372 -5.568 1.00 0.00 C ATOM 741 O THR A 50 7.757 -1.932 -4.455 1.00 0.00 O ATOM 742 CB THR A 50 10.238 -3.307 -5.884 1.00 0.00 C ATOM 743 OG1 THR A 50 11.421 -3.077 -6.620 1.00 0.00 O ATOM 744 CG2 THR A 50 9.696 -4.638 -6.425 1.00 0.00 C ATOM 0 H THR A 50 9.586 -0.603 -4.825 1.00 0.00 H new ATOM 0 HA THR A 50 9.168 -2.107 -7.331 1.00 0.00 H new ATOM 0 HB THR A 50 10.361 -3.356 -4.802 1.00 0.00 H new ATOM 0 HG1 THR A 50 12.069 -3.787 -6.428 1.00 0.00 H new ATOM 0 HG21 THR A 50 10.376 -5.445 -6.153 1.00 0.00 H new ATOM 0 HG22 THR A 50 8.713 -4.832 -5.996 1.00 0.00 H new ATOM 0 HG23 THR A 50 9.613 -4.583 -7.510 1.00 0.00 H new ATOM 752 N ILE A 51 7.052 -3.058 -6.235 1.00 0.00 N ATOM 753 CA ILE A 51 5.706 -3.301 -5.608 1.00 0.00 C ATOM 754 C ILE A 51 5.180 -4.698 -5.962 1.00 0.00 C ATOM 755 O ILE A 51 5.066 -5.055 -7.118 1.00 0.00 O ATOM 756 CB ILE A 51 4.739 -2.170 -6.134 1.00 0.00 C ATOM 757 CG1 ILE A 51 4.736 -0.986 -5.142 1.00 0.00 C ATOM 758 CG2 ILE A 51 3.269 -2.693 -6.300 1.00 0.00 C ATOM 759 CD1 ILE A 51 3.850 -1.300 -3.916 1.00 0.00 C ATOM 0 H ILE A 51 7.182 -3.453 -7.167 1.00 0.00 H new ATOM 0 HA ILE A 51 5.774 -3.265 -4.521 1.00 0.00 H new ATOM 0 HB ILE A 51 5.105 -1.852 -7.110 1.00 0.00 H new ATOM 0 HG12 ILE A 51 5.755 -0.776 -4.816 1.00 0.00 H new ATOM 0 HG13 ILE A 51 4.370 -0.089 -5.641 1.00 0.00 H new ATOM 0 HG21 ILE A 51 2.634 -1.885 -6.664 1.00 0.00 H new ATOM 0 HG22 ILE A 51 3.254 -3.516 -7.015 1.00 0.00 H new ATOM 0 HG23 ILE A 51 2.896 -3.042 -5.337 1.00 0.00 H new ATOM 0 HD11 ILE A 51 3.863 -0.452 -3.231 1.00 0.00 H new ATOM 0 HD12 ILE A 51 2.827 -1.486 -4.244 1.00 0.00 H new ATOM 0 HD13 ILE A 51 4.234 -2.184 -3.407 1.00 0.00 H new ATOM 771 N ASP A 52 4.873 -5.461 -4.933 1.00 0.00 N ATOM 772 CA ASP A 52 4.355 -6.837 -5.154 1.00 0.00 C ATOM 773 C ASP A 52 3.567 -7.330 -3.932 1.00 0.00 C ATOM 774 O ASP A 52 2.361 -7.468 -3.989 1.00 0.00 O ATOM 775 CB ASP A 52 5.553 -7.773 -5.381 1.00 0.00 C ATOM 776 CG ASP A 52 5.052 -9.212 -5.520 1.00 0.00 C ATOM 777 OD1 ASP A 52 4.112 -9.387 -6.278 1.00 0.00 O ATOM 778 OD2 ASP A 52 5.638 -10.055 -4.861 1.00 0.00 O ATOM 0 H ASP A 52 4.962 -5.183 -3.956 1.00 0.00 H new ATOM 0 HA ASP A 52 3.689 -6.832 -6.017 1.00 0.00 H new ATOM 0 HB2 ASP A 52 6.096 -7.477 -6.279 1.00 0.00 H new ATOM 0 HB3 ASP A 52 6.251 -7.698 -4.547 1.00 0.00 H new ATOM 783 N LYS A 53 4.264 -7.586 -2.845 1.00 0.00 N ATOM 784 CA LYS A 53 3.554 -8.071 -1.622 1.00 0.00 C ATOM 785 C LYS A 53 4.465 -8.029 -0.388 1.00 0.00 C ATOM 786 O LYS A 53 5.665 -8.189 -0.491 1.00 0.00 O ATOM 787 CB LYS A 53 3.120 -9.533 -1.873 1.00 0.00 C ATOM 788 CG LYS A 53 2.345 -10.078 -0.650 1.00 0.00 C ATOM 789 CD LYS A 53 1.083 -9.222 -0.401 1.00 0.00 C ATOM 790 CE LYS A 53 0.032 -10.059 0.343 1.00 0.00 C ATOM 791 NZ LYS A 53 0.648 -10.750 1.511 1.00 0.00 N ATOM 0 H LYS A 53 5.275 -7.481 -2.756 1.00 0.00 H new ATOM 0 HA LYS A 53 2.697 -7.425 -1.430 1.00 0.00 H new ATOM 0 HB2 LYS A 53 2.493 -9.586 -2.763 1.00 0.00 H new ATOM 0 HB3 LYS A 53 3.996 -10.153 -2.063 1.00 0.00 H new ATOM 0 HG2 LYS A 53 2.062 -11.117 -0.821 1.00 0.00 H new ATOM 0 HG3 LYS A 53 2.985 -10.063 0.232 1.00 0.00 H new ATOM 0 HD2 LYS A 53 1.340 -8.339 0.184 1.00 0.00 H new ATOM 0 HD3 LYS A 53 0.677 -8.870 -1.349 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -0.781 -9.416 0.680 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -0.403 -10.794 -0.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -0.100 -11.069 2.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 1.193 -11.572 1.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 1.281 -10.092 2.009 1.00 0.00 H new ATOM 805 N ASN A 54 3.862 -7.818 0.761 1.00 0.00 N ATOM 806 CA ASN A 54 4.653 -7.759 2.023 1.00 0.00 C ATOM 807 C ASN A 54 3.720 -7.611 3.227 1.00 0.00 C ATOM 808 O ASN A 54 3.391 -8.576 3.889 1.00 0.00 O ATOM 809 CB ASN A 54 5.583 -6.532 1.960 1.00 0.00 C ATOM 810 CG ASN A 54 6.303 -6.368 3.301 1.00 0.00 C ATOM 811 OD1 ASN A 54 6.468 -7.311 4.050 1.00 0.00 O ATOM 812 ND2 ASN A 54 6.745 -5.189 3.642 1.00 0.00 N ATOM 0 H ASN A 54 2.857 -7.685 0.874 1.00 0.00 H new ATOM 0 HA ASN A 54 5.230 -8.677 2.131 1.00 0.00 H new ATOM 0 HB2 ASN A 54 6.310 -6.654 1.157 1.00 0.00 H new ATOM 0 HB3 ASN A 54 5.005 -5.636 1.733 1.00 0.00 H new ATOM 0 HD21 ASN A 54 7.226 -5.063 4.533 1.00 0.00 H new ATOM 0 HD22 ASN A 54 6.610 -4.394 3.018 1.00 0.00 H new ATOM 819 N ARG A 55 3.314 -6.396 3.479 1.00 0.00 N ATOM 820 CA ARG A 55 2.397 -6.125 4.629 1.00 0.00 C ATOM 821 C ARG A 55 1.567 -4.903 4.305 1.00 0.00 C ATOM 822 O ARG A 55 0.436 -4.756 4.719 1.00 0.00 O ATOM 823 CB ARG A 55 3.258 -5.876 5.901 1.00 0.00 C ATOM 824 CG ARG A 55 2.503 -6.374 7.149 1.00 0.00 C ATOM 825 CD ARG A 55 1.123 -5.711 7.220 1.00 0.00 C ATOM 826 NE ARG A 55 0.606 -5.813 8.618 1.00 0.00 N ATOM 827 CZ ARG A 55 0.010 -6.909 9.007 1.00 0.00 C ATOM 828 NH1 ARG A 55 0.099 -7.975 8.260 1.00 0.00 N ATOM 829 NH2 ARG A 55 -0.656 -6.901 10.129 1.00 0.00 N ATOM 0 H ARG A 55 3.578 -5.574 2.936 1.00 0.00 H new ATOM 0 HA ARG A 55 1.733 -6.971 4.807 1.00 0.00 H new ATOM 0 HB2 ARG A 55 4.213 -6.394 5.812 1.00 0.00 H new ATOM 0 HB3 ARG A 55 3.480 -4.813 5.999 1.00 0.00 H new ATOM 0 HG2 ARG A 55 2.394 -7.458 7.111 1.00 0.00 H new ATOM 0 HG3 ARG A 55 3.075 -6.142 8.048 1.00 0.00 H new ATOM 0 HD2 ARG A 55 1.192 -4.666 6.919 1.00 0.00 H new ATOM 0 HD3 ARG A 55 0.436 -6.197 6.528 1.00 0.00 H new ATOM 0 HE ARG A 55 0.718 -5.032 9.265 1.00 0.00 H new ATOM 0 HH11 ARG A 55 0.627 -7.944 7.388 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -0.360 -8.839 8.548 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -0.705 -6.048 10.687 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -1.127 -7.747 10.448 1.00 0.00 H new ATOM 843 N ARG A 56 2.171 -4.071 3.558 1.00 0.00 N ATOM 844 CA ARG A 56 1.526 -2.806 3.118 1.00 0.00 C ATOM 845 C ARG A 56 2.056 -2.461 1.748 1.00 0.00 C ATOM 846 O ARG A 56 2.155 -1.310 1.376 1.00 0.00 O ATOM 847 CB ARG A 56 1.870 -1.662 4.091 1.00 0.00 C ATOM 848 CG ARG A 56 1.535 -2.091 5.521 1.00 0.00 C ATOM 849 CD ARG A 56 1.692 -0.889 6.458 1.00 0.00 C ATOM 850 NE ARG A 56 0.835 0.237 5.959 1.00 0.00 N ATOM 851 CZ ARG A 56 -0.374 0.400 6.440 1.00 0.00 C ATOM 852 NH1 ARG A 56 -1.211 -0.601 6.401 1.00 0.00 N ATOM 853 NH2 ARG A 56 -0.701 1.560 6.943 1.00 0.00 N ATOM 0 H ARG A 56 3.121 -4.203 3.211 1.00 0.00 H new ATOM 0 HA ARG A 56 0.444 -2.935 3.097 1.00 0.00 H new ATOM 0 HB2 ARG A 56 2.928 -1.410 4.014 1.00 0.00 H new ATOM 0 HB3 ARG A 56 1.309 -0.765 3.828 1.00 0.00 H new ATOM 0 HG2 ARG A 56 0.516 -2.474 5.569 1.00 0.00 H new ATOM 0 HG3 ARG A 56 2.195 -2.900 5.835 1.00 0.00 H new ATOM 0 HD2 ARG A 56 1.401 -1.162 7.472 1.00 0.00 H new ATOM 0 HD3 ARG A 56 2.736 -0.578 6.499 1.00 0.00 H new ATOM 0 HE ARG A 56 1.192 0.874 5.247 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -0.921 -1.493 6.001 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -2.155 -0.491 6.771 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -0.021 2.320 6.957 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -1.637 1.706 7.322 1.00 0.00 H new ATOM 867 N LYS A 57 2.401 -3.499 1.022 1.00 0.00 N ATOM 868 CA LYS A 57 2.938 -3.319 -0.348 1.00 0.00 C ATOM 869 C LYS A 57 4.249 -2.541 -0.336 1.00 0.00 C ATOM 870 O LYS A 57 4.347 -1.489 -0.929 1.00 0.00 O ATOM 871 CB LYS A 57 1.898 -2.554 -1.186 1.00 0.00 C ATOM 872 CG LYS A 57 0.476 -3.088 -0.898 1.00 0.00 C ATOM 873 CD LYS A 57 0.455 -4.633 -0.960 1.00 0.00 C ATOM 874 CE LYS A 57 -0.989 -5.120 -0.835 1.00 0.00 C ATOM 875 NZ LYS A 57 -1.434 -5.074 0.586 1.00 0.00 N ATOM 0 H LYS A 57 2.329 -4.468 1.331 1.00 0.00 H new ATOM 0 HA LYS A 57 3.135 -4.301 -0.778 1.00 0.00 H new ATOM 0 HB2 LYS A 57 1.947 -1.490 -0.955 1.00 0.00 H new ATOM 0 HB3 LYS A 57 2.126 -2.661 -2.246 1.00 0.00 H new ATOM 0 HG2 LYS A 57 0.148 -2.753 0.086 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -0.226 -2.679 -1.624 1.00 0.00 H new ATOM 0 HD2 LYS A 57 0.888 -4.977 -1.899 1.00 0.00 H new ATOM 0 HD3 LYS A 57 1.063 -5.050 -0.157 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -1.643 -4.499 -1.447 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -1.070 -6.139 -1.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -2.417 -5.408 0.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -0.821 -5.685 1.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -1.376 -4.097 0.936 1.00 0.00 H new ATOM 889 N SER A 58 5.237 -3.092 0.341 1.00 0.00 N ATOM 890 CA SER A 58 6.576 -2.418 0.421 1.00 0.00 C ATOM 891 C SER A 58 6.448 -0.893 0.419 1.00 0.00 C ATOM 892 O SER A 58 6.104 -0.299 1.420 1.00 0.00 O ATOM 893 CB SER A 58 7.405 -2.854 -0.800 1.00 0.00 C ATOM 894 OG SER A 58 8.576 -2.054 -0.726 1.00 0.00 O ATOM 0 H SER A 58 5.171 -3.979 0.840 1.00 0.00 H new ATOM 0 HA SER A 58 7.057 -2.709 1.355 1.00 0.00 H new ATOM 0 HB2 SER A 58 7.645 -3.917 -0.760 1.00 0.00 H new ATOM 0 HB3 SER A 58 6.864 -2.684 -1.731 1.00 0.00 H new ATOM 0 HG SER A 58 9.169 -2.271 -1.476 1.00 0.00 H new ATOM 900 N CYS A 59 6.728 -0.285 -0.707 1.00 0.00 N ATOM 901 CA CYS A 59 6.622 1.189 -0.772 1.00 0.00 C ATOM 902 C CYS A 59 5.174 1.615 -0.753 1.00 0.00 C ATOM 903 O CYS A 59 4.399 1.245 -1.612 1.00 0.00 O ATOM 904 CB CYS A 59 7.253 1.692 -2.070 1.00 0.00 C ATOM 905 SG CYS A 59 7.128 3.466 -2.374 1.00 0.00 S ATOM 0 H CYS A 59 7.021 -0.745 -1.569 1.00 0.00 H new ATOM 0 HA CYS A 59 7.139 1.608 0.091 1.00 0.00 H new ATOM 0 HB2 CYS A 59 8.308 1.417 -2.068 1.00 0.00 H new ATOM 0 HB3 CYS A 59 6.788 1.167 -2.904 1.00 0.00 H new ATOM 910 N GLN A 60 4.833 2.388 0.226 1.00 0.00 N ATOM 911 CA GLN A 60 3.442 2.857 0.329 1.00 0.00 C ATOM 912 C GLN A 60 3.154 3.947 -0.690 1.00 0.00 C ATOM 913 O GLN A 60 2.028 4.134 -1.096 1.00 0.00 O ATOM 914 CB GLN A 60 3.245 3.433 1.741 1.00 0.00 C ATOM 915 CG GLN A 60 3.383 2.308 2.767 1.00 0.00 C ATOM 916 CD GLN A 60 2.875 2.798 4.122 1.00 0.00 C ATOM 917 OE1 GLN A 60 1.782 3.318 4.239 1.00 0.00 O ATOM 918 NE2 GLN A 60 3.635 2.655 5.173 1.00 0.00 N ATOM 0 H GLN A 60 5.461 2.715 0.960 1.00 0.00 H new ATOM 0 HA GLN A 60 2.766 2.024 0.137 1.00 0.00 H new ATOM 0 HB2 GLN A 60 3.983 4.211 1.935 1.00 0.00 H new ATOM 0 HB3 GLN A 60 2.263 3.898 1.823 1.00 0.00 H new ATOM 0 HG2 GLN A 60 2.814 1.435 2.446 1.00 0.00 H new ATOM 0 HG3 GLN A 60 4.425 1.998 2.846 1.00 0.00 H new ATOM 0 HE21 GLN A 60 4.553 2.220 5.083 1.00 0.00 H new ATOM 0 HE22 GLN A 60 3.311 2.978 6.084 1.00 0.00 H new ATOM 927 N ALA A 61 4.173 4.641 -1.112 1.00 0.00 N ATOM 928 CA ALA A 61 3.937 5.720 -2.109 1.00 0.00 C ATOM 929 C ALA A 61 3.723 5.163 -3.493 1.00 0.00 C ATOM 930 O ALA A 61 2.784 5.544 -4.165 1.00 0.00 O ATOM 931 CB ALA A 61 5.110 6.683 -2.086 1.00 0.00 C ATOM 0 H ALA A 61 5.141 4.512 -0.817 1.00 0.00 H new ATOM 0 HA ALA A 61 3.025 6.252 -1.840 1.00 0.00 H new ATOM 0 HB1 ALA A 61 4.944 7.477 -2.815 1.00 0.00 H new ATOM 0 HB2 ALA A 61 5.204 7.118 -1.091 1.00 0.00 H new ATOM 0 HB3 ALA A 61 6.026 6.147 -2.336 1.00 0.00 H new ATOM 937 N CYS A 62 4.567 4.286 -3.920 1.00 0.00 N ATOM 938 CA CYS A 62 4.357 3.736 -5.266 1.00 0.00 C ATOM 939 C CYS A 62 3.077 2.943 -5.254 1.00 0.00 C ATOM 940 O CYS A 62 2.379 2.891 -6.234 1.00 0.00 O ATOM 941 CB CYS A 62 5.536 2.818 -5.638 1.00 0.00 C ATOM 942 SG CYS A 62 7.054 3.617 -6.181 1.00 0.00 S ATOM 0 H CYS A 62 5.376 3.933 -3.408 1.00 0.00 H new ATOM 0 HA CYS A 62 4.294 4.540 -5.999 1.00 0.00 H new ATOM 0 HB2 CYS A 62 5.770 2.199 -4.772 1.00 0.00 H new ATOM 0 HB3 CYS A 62 5.205 2.146 -6.430 1.00 0.00 H new ATOM 947 N ARG A 63 2.781 2.329 -4.128 1.00 0.00 N ATOM 948 CA ARG A 63 1.536 1.546 -4.063 1.00 0.00 C ATOM 949 C ARG A 63 0.398 2.481 -4.366 1.00 0.00 C ATOM 950 O ARG A 63 -0.340 2.285 -5.300 1.00 0.00 O ATOM 951 CB ARG A 63 1.363 0.995 -2.631 1.00 0.00 C ATOM 952 CG ARG A 63 -0.048 0.387 -2.463 1.00 0.00 C ATOM 953 CD ARG A 63 -0.351 -0.561 -3.632 1.00 0.00 C ATOM 954 NE ARG A 63 -1.484 -1.453 -3.256 1.00 0.00 N ATOM 955 CZ ARG A 63 -2.701 -0.992 -3.300 1.00 0.00 C ATOM 956 NH1 ARG A 63 -3.309 -0.932 -4.453 1.00 0.00 N ATOM 957 NH2 ARG A 63 -3.268 -0.598 -2.191 1.00 0.00 N ATOM 0 H ARG A 63 3.344 2.344 -3.277 1.00 0.00 H new ATOM 0 HA ARG A 63 1.560 0.718 -4.771 1.00 0.00 H new ATOM 0 HB2 ARG A 63 2.120 0.237 -2.431 1.00 0.00 H new ATOM 0 HB3 ARG A 63 1.512 1.794 -1.905 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -0.110 -0.154 -1.519 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -0.794 1.181 -2.425 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -0.603 0.011 -4.525 1.00 0.00 H new ATOM 0 HD3 ARG A 63 0.531 -1.155 -3.873 1.00 0.00 H new ATOM 0 HE ARG A 63 -1.308 -2.415 -2.967 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -2.831 -1.243 -5.299 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -4.262 -0.574 -4.509 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -2.758 -0.654 -1.309 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -4.221 -0.234 -2.207 1.00 0.00 H new ATOM 971 N LEU A 64 0.273 3.492 -3.543 1.00 0.00 N ATOM 972 CA LEU A 64 -0.799 4.468 -3.750 1.00 0.00 C ATOM 973 C LEU A 64 -0.796 4.954 -5.182 1.00 0.00 C ATOM 974 O LEU A 64 -1.731 4.768 -5.915 1.00 0.00 O ATOM 975 CB LEU A 64 -0.511 5.685 -2.882 1.00 0.00 C ATOM 976 CG LEU A 64 -1.649 6.726 -3.032 1.00 0.00 C ATOM 977 CD1 LEU A 64 -3.027 6.065 -2.656 1.00 0.00 C ATOM 978 CD2 LEU A 64 -1.342 7.922 -2.071 1.00 0.00 C ATOM 0 H LEU A 64 0.876 3.670 -2.740 1.00 0.00 H new ATOM 0 HA LEU A 64 -1.752 3.999 -3.507 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.418 5.384 -1.839 1.00 0.00 H new ATOM 0 HB3 LEU A 64 0.441 6.131 -3.171 1.00 0.00 H new ATOM 0 HG LEU A 64 -1.709 7.081 -4.061 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -3.824 6.800 -2.763 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.219 5.222 -3.320 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.993 5.714 -1.625 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -2.130 8.670 -2.158 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -1.296 7.561 -1.044 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.386 8.370 -2.341 1.00 0.00 H new ATOM 990 N ARG A 65 0.281 5.583 -5.557 1.00 0.00 N ATOM 991 CA ARG A 65 0.365 6.094 -6.937 1.00 0.00 C ATOM 992 C ARG A 65 -0.045 5.026 -7.905 1.00 0.00 C ATOM 993 O ARG A 65 -0.711 5.297 -8.884 1.00 0.00 O ATOM 994 CB ARG A 65 1.829 6.533 -7.212 1.00 0.00 C ATOM 995 CG ARG A 65 1.912 7.305 -8.568 1.00 0.00 C ATOM 996 CD ARG A 65 2.329 6.351 -9.707 1.00 0.00 C ATOM 997 NE ARG A 65 1.757 6.856 -10.989 1.00 0.00 N ATOM 998 CZ ARG A 65 2.179 7.991 -11.478 1.00 0.00 C ATOM 999 NH1 ARG A 65 2.135 9.058 -10.727 1.00 0.00 N ATOM 1000 NH2 ARG A 65 2.628 8.021 -12.702 1.00 0.00 N ATOM 0 H ARG A 65 1.095 5.761 -4.969 1.00 0.00 H new ATOM 0 HA ARG A 65 -0.305 6.945 -7.061 1.00 0.00 H new ATOM 0 HB2 ARG A 65 2.185 7.168 -6.401 1.00 0.00 H new ATOM 0 HB3 ARG A 65 2.480 5.659 -7.242 1.00 0.00 H new ATOM 0 HG2 ARG A 65 0.946 7.755 -8.797 1.00 0.00 H new ATOM 0 HG3 ARG A 65 2.631 8.120 -8.486 1.00 0.00 H new ATOM 0 HD2 ARG A 65 3.415 6.295 -9.774 1.00 0.00 H new ATOM 0 HD3 ARG A 65 1.970 5.342 -9.505 1.00 0.00 H new ATOM 0 HE ARG A 65 1.042 6.319 -11.480 1.00 0.00 H new ATOM 0 HH11 ARG A 65 1.775 8.997 -9.775 1.00 0.00 H new ATOM 0 HH12 ARG A 65 2.461 9.953 -11.093 1.00 0.00 H new ATOM 0 HH21 ARG A 65 2.645 7.167 -13.260 1.00 0.00 H new ATOM 0 HH22 ARG A 65 2.962 8.898 -13.101 1.00 0.00 H new ATOM 1014 N LYS A 66 0.350 3.819 -7.634 1.00 0.00 N ATOM 1015 CA LYS A 66 -0.035 2.757 -8.548 1.00 0.00 C ATOM 1016 C LYS A 66 -1.515 2.540 -8.395 1.00 0.00 C ATOM 1017 O LYS A 66 -2.195 2.270 -9.350 1.00 0.00 O ATOM 1018 CB LYS A 66 0.725 1.459 -8.191 1.00 0.00 C ATOM 1019 CG LYS A 66 2.102 1.486 -8.867 1.00 0.00 C ATOM 1020 CD LYS A 66 2.821 0.172 -8.583 1.00 0.00 C ATOM 1021 CE LYS A 66 4.079 0.085 -9.452 1.00 0.00 C ATOM 1022 NZ LYS A 66 4.975 1.248 -9.198 1.00 0.00 N ATOM 0 H LYS A 66 0.912 3.540 -6.830 1.00 0.00 H new ATOM 0 HA LYS A 66 0.208 3.027 -9.576 1.00 0.00 H new ATOM 0 HB2 LYS A 66 0.838 1.373 -7.110 1.00 0.00 H new ATOM 0 HB3 LYS A 66 0.160 0.588 -8.523 1.00 0.00 H new ATOM 0 HG2 LYS A 66 1.991 1.630 -9.942 1.00 0.00 H new ATOM 0 HG3 LYS A 66 2.689 2.325 -8.492 1.00 0.00 H new ATOM 0 HD2 LYS A 66 3.089 0.111 -7.528 1.00 0.00 H new ATOM 0 HD3 LYS A 66 2.161 -0.670 -8.793 1.00 0.00 H new ATOM 0 HE2 LYS A 66 4.610 -0.843 -9.240 1.00 0.00 H new ATOM 0 HE3 LYS A 66 3.799 0.058 -10.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 4.936 1.899 -10.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 4.664 1.745 -8.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 5.951 0.913 -9.070 1.00 0.00 H new ATOM 1036 N CYS A 67 -2.002 2.719 -7.177 1.00 0.00 N ATOM 1037 CA CYS A 67 -3.439 2.524 -6.955 1.00 0.00 C ATOM 1038 C CYS A 67 -4.211 3.481 -7.807 1.00 0.00 C ATOM 1039 O CYS A 67 -5.211 3.134 -8.361 1.00 0.00 O ATOM 1040 CB CYS A 67 -3.782 2.771 -5.488 1.00 0.00 C ATOM 1041 SG CYS A 67 -2.923 1.778 -4.253 1.00 0.00 S ATOM 0 H CYS A 67 -1.459 2.987 -6.356 1.00 0.00 H new ATOM 0 HA CYS A 67 -3.701 1.499 -7.218 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -3.588 3.821 -5.270 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -4.853 2.612 -5.362 1.00 0.00 H new ATOM 0 HG CYS A 67 -1.660 1.709 -4.554 1.00 0.00 H new ATOM 1047 N TYR A 68 -3.761 4.689 -7.886 1.00 0.00 N ATOM 1048 CA TYR A 68 -4.511 5.643 -8.728 1.00 0.00 C ATOM 1049 C TYR A 68 -4.269 5.281 -10.179 1.00 0.00 C ATOM 1050 O TYR A 68 -5.104 5.513 -11.030 1.00 0.00 O ATOM 1051 CB TYR A 68 -3.990 7.078 -8.473 1.00 0.00 C ATOM 1052 CG TYR A 68 -4.251 7.533 -7.004 1.00 0.00 C ATOM 1053 CD1 TYR A 68 -5.502 7.378 -6.404 1.00 0.00 C ATOM 1054 CD2 TYR A 68 -3.247 8.177 -6.281 1.00 0.00 C ATOM 1055 CE1 TYR A 68 -5.730 7.855 -5.126 1.00 0.00 C ATOM 1056 CE2 TYR A 68 -3.496 8.661 -5.015 1.00 0.00 C ATOM 1057 CZ TYR A 68 -4.720 8.501 -4.430 1.00 0.00 C ATOM 1058 OH TYR A 68 -4.928 8.963 -3.164 1.00 0.00 O ATOM 0 H TYR A 68 -2.930 5.052 -7.419 1.00 0.00 H new ATOM 0 HA TYR A 68 -5.574 5.598 -8.492 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -2.921 7.120 -8.683 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -4.477 7.770 -9.160 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -6.297 6.882 -6.941 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -2.266 8.297 -6.717 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -6.699 7.724 -4.668 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -2.712 9.174 -4.478 1.00 0.00 H new ATOM 0 HH TYR A 68 -4.092 9.331 -2.808 1.00 0.00 H new ATOM 1068 N GLU A 69 -3.119 4.712 -10.439 1.00 0.00 N ATOM 1069 CA GLU A 69 -2.806 4.324 -11.829 1.00 0.00 C ATOM 1070 C GLU A 69 -3.760 3.257 -12.273 1.00 0.00 C ATOM 1071 O GLU A 69 -4.156 3.189 -13.420 1.00 0.00 O ATOM 1072 CB GLU A 69 -1.369 3.781 -11.875 1.00 0.00 C ATOM 1073 CG GLU A 69 -0.858 3.828 -13.317 1.00 0.00 C ATOM 1074 CD GLU A 69 0.498 3.125 -13.396 1.00 0.00 C ATOM 1075 OE1 GLU A 69 0.547 1.991 -12.948 1.00 0.00 O ATOM 1076 OE2 GLU A 69 1.409 3.761 -13.899 1.00 0.00 O ATOM 0 H GLU A 69 -2.396 4.505 -9.750 1.00 0.00 H new ATOM 0 HA GLU A 69 -2.899 5.186 -12.490 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -0.723 4.374 -11.228 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.342 2.758 -11.500 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -1.571 3.343 -13.984 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -0.764 4.862 -13.648 1.00 0.00 H new ATOM 1083 N VAL A 70 -4.107 2.449 -11.348 1.00 0.00 N ATOM 1084 CA VAL A 70 -5.054 1.343 -11.650 1.00 0.00 C ATOM 1085 C VAL A 70 -6.302 1.933 -12.236 1.00 0.00 C ATOM 1086 O VAL A 70 -7.026 1.300 -12.978 1.00 0.00 O ATOM 1087 CB VAL A 70 -5.473 0.636 -10.315 1.00 0.00 C ATOM 1088 CG1 VAL A 70 -6.656 -0.327 -10.570 1.00 0.00 C ATOM 1089 CG2 VAL A 70 -4.329 -0.154 -9.697 1.00 0.00 C ATOM 0 H VAL A 70 -3.782 2.493 -10.382 1.00 0.00 H new ATOM 0 HA VAL A 70 -4.579 0.638 -12.332 1.00 0.00 H new ATOM 0 HB VAL A 70 -5.763 1.424 -9.619 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -6.938 -0.812 -9.636 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -7.506 0.235 -10.958 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -6.359 -1.084 -11.296 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -4.669 -0.625 -8.775 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -3.998 -0.922 -10.396 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -3.500 0.518 -9.477 1.00 0.00 H new ATOM 1099 N GLY A 71 -6.520 3.139 -11.881 1.00 0.00 N ATOM 1100 CA GLY A 71 -7.718 3.847 -12.373 1.00 0.00 C ATOM 1101 C GLY A 71 -8.908 3.285 -11.613 1.00 0.00 C ATOM 1102 O GLY A 71 -9.872 2.834 -12.197 1.00 0.00 O ATOM 0 H GLY A 71 -5.918 3.682 -11.263 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -7.627 4.921 -12.208 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -7.840 3.699 -13.446 1.00 0.00 H new ATOM 1106 N MET A 72 -8.809 3.327 -10.296 1.00 0.00 N ATOM 1107 CA MET A 72 -9.939 2.785 -9.446 1.00 0.00 C ATOM 1108 C MET A 72 -10.835 3.868 -8.957 1.00 0.00 C ATOM 1109 O MET A 72 -12.008 3.918 -9.256 1.00 0.00 O ATOM 1110 CB MET A 72 -9.386 2.054 -8.124 1.00 0.00 C ATOM 1111 CG MET A 72 -7.871 1.875 -8.146 1.00 0.00 C ATOM 1112 SD MET A 72 -7.025 1.880 -6.564 1.00 0.00 S ATOM 1113 CE MET A 72 -7.773 0.381 -5.938 1.00 0.00 C ATOM 0 H MET A 72 -8.014 3.704 -9.780 1.00 0.00 H new ATOM 0 HA MET A 72 -10.475 2.091 -10.093 1.00 0.00 H new ATOM 0 HB2 MET A 72 -9.667 2.636 -7.246 1.00 0.00 H new ATOM 0 HB3 MET A 72 -9.863 1.079 -8.026 1.00 0.00 H new ATOM 0 HG2 MET A 72 -7.649 0.932 -8.645 1.00 0.00 H new ATOM 0 HG3 MET A 72 -7.445 2.669 -8.760 1.00 0.00 H new ATOM 0 HE1 MET A 72 -7.326 0.125 -4.977 1.00 0.00 H new ATOM 0 HE2 MET A 72 -8.844 0.535 -5.810 1.00 0.00 H new ATOM 0 HE3 MET A 72 -7.605 -0.432 -6.644 1.00 0.00 H new ATOM 1123 N MET A 73 -10.231 4.692 -8.194 1.00 0.00 N ATOM 1124 CA MET A 73 -10.928 5.828 -7.591 1.00 0.00 C ATOM 1125 C MET A 73 -11.978 5.249 -6.701 1.00 0.00 C ATOM 1126 O MET A 73 -12.844 4.529 -7.152 1.00 0.00 O ATOM 1127 CB MET A 73 -11.575 6.730 -8.644 1.00 0.00 C ATOM 1128 CG MET A 73 -10.488 7.323 -9.546 1.00 0.00 C ATOM 1129 SD MET A 73 -9.734 6.231 -10.775 1.00 0.00 S ATOM 1130 CE MET A 73 -9.081 7.528 -11.856 1.00 0.00 C ATOM 0 H MET A 73 -9.243 4.626 -7.951 1.00 0.00 H new ATOM 0 HA MET A 73 -10.222 6.452 -7.043 1.00 0.00 H new ATOM 0 HB2 MET A 73 -12.286 6.158 -9.241 1.00 0.00 H new ATOM 0 HB3 MET A 73 -12.136 7.529 -8.159 1.00 0.00 H new ATOM 0 HG2 MET A 73 -10.916 8.176 -10.072 1.00 0.00 H new ATOM 0 HG3 MET A 73 -9.694 7.709 -8.907 1.00 0.00 H new ATOM 0 HE1 MET A 73 -8.564 7.072 -12.700 1.00 0.00 H new ATOM 0 HE2 MET A 73 -9.902 8.144 -12.223 1.00 0.00 H new ATOM 0 HE3 MET A 73 -8.383 8.150 -11.297 1.00 0.00 H new ATOM 1140 N LYS A 74 -11.878 5.556 -5.446 1.00 0.00 N ATOM 1141 CA LYS A 74 -12.869 5.023 -4.471 1.00 0.00 C ATOM 1142 C LYS A 74 -14.273 4.890 -5.085 1.00 0.00 C ATOM 1143 O LYS A 74 -15.017 3.990 -4.751 1.00 0.00 O ATOM 1144 CB LYS A 74 -12.957 5.967 -3.255 1.00 0.00 C ATOM 1145 CG LYS A 74 -13.781 5.293 -2.129 1.00 0.00 C ATOM 1146 CD LYS A 74 -14.312 6.362 -1.162 1.00 0.00 C ATOM 1147 CE LYS A 74 -13.143 6.977 -0.393 1.00 0.00 C ATOM 1148 NZ LYS A 74 -13.642 7.882 0.680 1.00 0.00 N ATOM 0 H LYS A 74 -11.154 6.153 -5.048 1.00 0.00 H new ATOM 0 HA LYS A 74 -12.528 4.032 -4.173 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -11.956 6.205 -2.894 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -13.423 6.908 -3.546 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -14.612 4.733 -2.559 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -13.160 4.578 -1.590 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -14.845 7.136 -1.715 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -15.025 5.918 -0.467 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -12.532 6.187 0.044 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -12.503 7.533 -1.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -12.835 8.291 1.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -14.206 8.646 0.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -14.234 7.342 1.342 1.00 0.00 H new ATOM 1162 N GLY A 75 -14.596 5.791 -5.971 1.00 0.00 N ATOM 1163 CA GLY A 75 -15.939 5.736 -6.616 1.00 0.00 C ATOM 1164 C GLY A 75 -17.028 6.124 -5.614 1.00 0.00 C ATOM 1165 O GLY A 75 -17.224 7.319 -5.464 1.00 0.00 O ATOM 1166 OXT GLY A 75 -17.602 5.204 -5.054 1.00 0.00 O ATOM 0 H GLY A 75 -13.995 6.557 -6.275 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -15.966 6.410 -7.472 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -16.126 4.732 -6.996 1.00 0.00 H new TER 1170 GLY A 75 HETATM 1171 ZN ZN A 98 -3.716 -5.164 -4.459 1.00 0.00 ZN HETATM 1172 ZN ZN A 99 8.166 4.226 -4.270 1.00 0.00 ZN