USER MOD reduce.3.24.130724 H: found=0, std=0, add=494, rem=0, adj=12 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 LEU N :NH3+ 148:sc= -0.6 (180deg=-2.48!) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 ASN : amide:sc= -0.193 K(o=-0.19,f=0.57) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0175) USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.471 USER MOD Single : A 18 LYS NZ :NH3+ -150:sc= 0.33 (180deg=-0.0479) USER MOD Single : A 19 ASN : amide:sc= -5.14! C(o=-5.1!,f=-12!) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -160:sc= -0.0334 (180deg=-0.694) USER MOD Single : A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot -86:sc= -1.5! USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 68:sc= 0.648 USER MOD Single : A 46 SER OG : rot 180:sc= 0.0717 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -0.454 K(o=-0.45,f=-3.7!) USER MOD Single : A 56 THR OG1 : rot 85:sc= 0.222 USER MOD Single : A 60 ASN : amide:sc= -0.597 K(o=-0.6,f=-1.6) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 11.262 -4.890 -1.711 1.00 0.00 N ATOM 2 CA LEU A 1 11.870 -3.881 -2.624 1.00 0.00 C ATOM 3 C LEU A 1 11.473 -2.478 -2.164 1.00 0.00 C ATOM 4 O LEU A 1 10.991 -2.290 -1.064 1.00 0.00 O ATOM 5 CB LEU A 1 11.367 -4.118 -4.051 1.00 0.00 C ATOM 6 CG LEU A 1 9.844 -4.267 -4.041 1.00 0.00 C ATOM 7 CD1 LEU A 1 9.197 -2.931 -4.411 1.00 0.00 C ATOM 8 CD2 LEU A 1 9.431 -5.329 -5.062 1.00 0.00 C ATOM 0 H1 LEU A 1 11.047 -5.756 -2.245 1.00 0.00 H new ATOM 0 H2 LEU A 1 11.930 -5.112 -0.945 1.00 0.00 H new ATOM 0 H3 LEU A 1 10.385 -4.507 -1.305 1.00 0.00 H new ATOM 0 HA LEU A 1 12.956 -3.975 -2.604 1.00 0.00 H new ATOM 0 HB2 LEU A 1 11.657 -3.286 -4.692 1.00 0.00 H new ATOM 0 HB3 LEU A 1 11.827 -5.015 -4.465 1.00 0.00 H new ATOM 0 HG LEU A 1 9.515 -4.567 -3.046 1.00 0.00 H new ATOM 0 HD11 LEU A 1 8.112 -3.038 -4.404 1.00 0.00 H new ATOM 0 HD12 LEU A 1 9.492 -2.171 -3.687 1.00 0.00 H new ATOM 0 HD13 LEU A 1 9.525 -2.631 -5.406 1.00 0.00 H new ATOM 0 HD21 LEU A 1 8.346 -5.437 -5.056 1.00 0.00 H new ATOM 0 HD22 LEU A 1 9.760 -5.026 -6.056 1.00 0.00 H new ATOM 0 HD23 LEU A 1 9.892 -6.282 -4.802 1.00 0.00 H new ATOM 22 N LYS A 2 11.669 -1.489 -2.993 1.00 0.00 N ATOM 23 CA LYS A 2 11.299 -0.103 -2.593 1.00 0.00 C ATOM 24 C LYS A 2 10.041 0.326 -3.348 1.00 0.00 C ATOM 25 O LYS A 2 9.885 0.053 -4.521 1.00 0.00 O ATOM 26 CB LYS A 2 12.443 0.856 -2.926 1.00 0.00 C ATOM 27 CG LYS A 2 13.158 0.388 -4.197 1.00 0.00 C ATOM 28 CD LYS A 2 14.270 1.377 -4.550 1.00 0.00 C ATOM 29 CE LYS A 2 15.020 0.884 -5.789 1.00 0.00 C ATOM 30 NZ LYS A 2 14.600 1.682 -6.976 1.00 0.00 N ATOM 0 H LYS A 2 12.068 -1.581 -3.927 1.00 0.00 H new ATOM 0 HA LYS A 2 11.109 -0.078 -1.520 1.00 0.00 H new ATOM 0 HB2 LYS A 2 12.055 1.865 -3.066 1.00 0.00 H new ATOM 0 HB3 LYS A 2 13.148 0.898 -2.096 1.00 0.00 H new ATOM 0 HG2 LYS A 2 13.576 -0.607 -4.046 1.00 0.00 H new ATOM 0 HG3 LYS A 2 12.448 0.314 -5.020 1.00 0.00 H new ATOM 0 HD2 LYS A 2 13.847 2.364 -4.737 1.00 0.00 H new ATOM 0 HD3 LYS A 2 14.959 1.479 -3.712 1.00 0.00 H new ATOM 0 HE2 LYS A 2 16.095 0.977 -5.637 1.00 0.00 H new ATOM 0 HE3 LYS A 2 14.812 -0.173 -5.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 15.110 1.347 -7.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 13.577 1.571 -7.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 14.820 2.686 -6.815 1.00 0.00 H new ATOM 44 N CYS A 3 9.143 0.999 -2.683 1.00 0.00 N ATOM 45 CA CYS A 3 7.895 1.452 -3.364 1.00 0.00 C ATOM 46 C CYS A 3 7.617 2.901 -2.969 1.00 0.00 C ATOM 47 O CYS A 3 8.478 3.588 -2.460 1.00 0.00 O ATOM 48 CB CYS A 3 6.691 0.579 -2.960 1.00 0.00 C ATOM 49 SG CYS A 3 7.195 -0.756 -1.839 1.00 0.00 S ATOM 0 H CYS A 3 9.218 1.255 -1.699 1.00 0.00 H new ATOM 0 HA CYS A 3 8.035 1.365 -4.442 1.00 0.00 H new ATOM 0 HB2 CYS A 3 5.936 1.198 -2.476 1.00 0.00 H new ATOM 0 HB3 CYS A 3 6.231 0.154 -3.852 1.00 0.00 H new ATOM 54 N ASN A 4 6.422 3.371 -3.195 1.00 0.00 N ATOM 55 CA ASN A 4 6.092 4.778 -2.830 1.00 0.00 C ATOM 56 C ASN A 4 5.348 4.788 -1.494 1.00 0.00 C ATOM 57 O ASN A 4 4.642 3.855 -1.163 1.00 0.00 O ATOM 58 CB ASN A 4 5.204 5.389 -3.915 1.00 0.00 C ATOM 59 CG ASN A 4 6.052 6.269 -4.833 1.00 0.00 C ATOM 60 OD1 ASN A 4 6.610 7.257 -4.401 1.00 0.00 O ATOM 61 ND2 ASN A 4 6.175 5.948 -6.092 1.00 0.00 N ATOM 0 H ASN A 4 5.659 2.842 -3.617 1.00 0.00 H new ATOM 0 HA ASN A 4 7.009 5.361 -2.743 1.00 0.00 H new ATOM 0 HB2 ASN A 4 4.723 4.600 -4.493 1.00 0.00 H new ATOM 0 HB3 ASN A 4 4.410 5.980 -3.459 1.00 0.00 H new ATOM 0 HD21 ASN A 4 6.740 6.527 -6.713 1.00 0.00 H new ATOM 0 HD22 ASN A 4 5.706 5.118 -6.455 1.00 0.00 H new ATOM 68 N LYS A 5 5.500 5.826 -0.715 1.00 0.00 N ATOM 69 CA LYS A 5 4.799 5.867 0.598 1.00 0.00 C ATOM 70 C LYS A 5 3.903 7.106 0.685 1.00 0.00 C ATOM 71 O LYS A 5 3.878 7.933 -0.205 1.00 0.00 O ATOM 72 CB LYS A 5 5.831 5.897 1.726 1.00 0.00 C ATOM 73 CG LYS A 5 5.831 4.549 2.446 1.00 0.00 C ATOM 74 CD LYS A 5 6.611 4.668 3.756 1.00 0.00 C ATOM 75 CE LYS A 5 6.094 3.632 4.755 1.00 0.00 C ATOM 76 NZ LYS A 5 6.288 4.141 6.142 1.00 0.00 N ATOM 0 H LYS A 5 6.075 6.641 -0.930 1.00 0.00 H new ATOM 0 HA LYS A 5 4.177 4.978 0.695 1.00 0.00 H new ATOM 0 HB2 LYS A 5 6.822 6.107 1.323 1.00 0.00 H new ATOM 0 HB3 LYS A 5 5.596 6.697 2.428 1.00 0.00 H new ATOM 0 HG2 LYS A 5 4.808 4.233 2.648 1.00 0.00 H new ATOM 0 HG3 LYS A 5 6.281 3.786 1.811 1.00 0.00 H new ATOM 0 HD2 LYS A 5 7.674 4.513 3.573 1.00 0.00 H new ATOM 0 HD3 LYS A 5 6.501 5.671 4.167 1.00 0.00 H new ATOM 0 HE2 LYS A 5 5.038 3.432 4.574 1.00 0.00 H new ATOM 0 HE3 LYS A 5 6.624 2.689 4.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 5.937 3.437 6.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 7.300 4.311 6.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 5.763 5.031 6.262 1.00 0.00 H new ATOM 90 N LEU A 6 3.162 7.233 1.756 1.00 0.00 N ATOM 91 CA LEU A 6 2.259 8.409 1.912 1.00 0.00 C ATOM 92 C LEU A 6 2.998 9.530 2.643 1.00 0.00 C ATOM 93 O LEU A 6 2.867 10.692 2.312 1.00 0.00 O ATOM 94 CB LEU A 6 1.026 7.999 2.723 1.00 0.00 C ATOM 95 CG LEU A 6 -0.238 8.503 2.024 1.00 0.00 C ATOM 96 CD1 LEU A 6 -0.174 10.024 1.882 1.00 0.00 C ATOM 97 CD2 LEU A 6 -0.341 7.868 0.636 1.00 0.00 C ATOM 0 H LEU A 6 3.145 6.570 2.531 1.00 0.00 H new ATOM 0 HA LEU A 6 1.949 8.761 0.928 1.00 0.00 H new ATOM 0 HB2 LEU A 6 0.989 6.914 2.825 1.00 0.00 H new ATOM 0 HB3 LEU A 6 1.086 8.412 3.730 1.00 0.00 H new ATOM 0 HG LEU A 6 -1.111 8.230 2.616 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -1.075 10.381 1.384 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -0.101 10.479 2.870 1.00 0.00 H new ATOM 0 HD13 LEU A 6 0.700 10.298 1.291 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -1.242 8.227 0.138 1.00 0.00 H new ATOM 0 HD22 LEU A 6 0.534 8.141 0.045 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -0.389 6.784 0.735 1.00 0.00 H new ATOM 109 N VAL A 7 3.766 9.191 3.641 1.00 0.00 N ATOM 110 CA VAL A 7 4.513 10.245 4.400 1.00 0.00 C ATOM 111 C VAL A 7 5.131 11.240 3.412 1.00 0.00 C ATOM 112 O VAL A 7 5.127 11.015 2.218 1.00 0.00 O ATOM 113 CB VAL A 7 5.635 9.630 5.257 1.00 0.00 C ATOM 114 CG1 VAL A 7 5.265 9.751 6.734 1.00 0.00 C ATOM 115 CG2 VAL A 7 5.844 8.152 4.909 1.00 0.00 C ATOM 0 H VAL A 7 3.911 8.235 3.966 1.00 0.00 H new ATOM 0 HA VAL A 7 3.809 10.749 5.062 1.00 0.00 H new ATOM 0 HB VAL A 7 6.560 10.169 5.054 1.00 0.00 H new ATOM 0 HG11 VAL A 7 6.057 9.317 7.344 1.00 0.00 H new ATOM 0 HG12 VAL A 7 5.142 10.803 6.993 1.00 0.00 H new ATOM 0 HG13 VAL A 7 4.331 9.220 6.920 1.00 0.00 H new ATOM 0 HG21 VAL A 7 6.642 7.742 5.528 1.00 0.00 H new ATOM 0 HG22 VAL A 7 4.922 7.601 5.093 1.00 0.00 H new ATOM 0 HG23 VAL A 7 6.117 8.061 3.858 1.00 0.00 H new ATOM 125 N PRO A 8 5.650 12.317 3.942 1.00 0.00 N ATOM 126 CA PRO A 8 6.278 13.371 3.128 1.00 0.00 C ATOM 127 C PRO A 8 7.648 12.912 2.622 1.00 0.00 C ATOM 128 O PRO A 8 8.657 13.086 3.275 1.00 0.00 O ATOM 129 CB PRO A 8 6.400 14.550 4.097 1.00 0.00 C ATOM 130 CG PRO A 8 6.358 13.950 5.522 1.00 0.00 C ATOM 131 CD PRO A 8 5.670 12.578 5.397 1.00 0.00 C ATOM 0 HA PRO A 8 5.706 13.627 2.236 1.00 0.00 H new ATOM 0 HB2 PRO A 8 7.330 15.094 3.932 1.00 0.00 H new ATOM 0 HB3 PRO A 8 5.586 15.259 3.950 1.00 0.00 H new ATOM 0 HG2 PRO A 8 7.364 13.844 5.928 1.00 0.00 H new ATOM 0 HG3 PRO A 8 5.807 14.600 6.201 1.00 0.00 H new ATOM 0 HD2 PRO A 8 6.221 11.805 5.933 1.00 0.00 H new ATOM 0 HD3 PRO A 8 4.663 12.598 5.813 1.00 0.00 H new ATOM 139 N LEU A 9 7.681 12.327 1.456 1.00 0.00 N ATOM 140 CA LEU A 9 8.972 11.852 0.885 1.00 0.00 C ATOM 141 C LEU A 9 8.710 11.280 -0.514 1.00 0.00 C ATOM 142 O LEU A 9 8.017 11.881 -1.310 1.00 0.00 O ATOM 143 CB LEU A 9 9.573 10.777 1.796 1.00 0.00 C ATOM 144 CG LEU A 9 8.649 9.559 1.834 1.00 0.00 C ATOM 145 CD1 LEU A 9 9.486 8.280 1.778 1.00 0.00 C ATOM 146 CD2 LEU A 9 7.838 9.578 3.131 1.00 0.00 C ATOM 0 H LEU A 9 6.863 12.157 0.871 1.00 0.00 H new ATOM 0 HA LEU A 9 9.678 12.679 0.813 1.00 0.00 H new ATOM 0 HB2 LEU A 9 10.558 10.487 1.431 1.00 0.00 H new ATOM 0 HB3 LEU A 9 9.709 11.174 2.802 1.00 0.00 H new ATOM 0 HG LEU A 9 7.974 9.589 0.979 1.00 0.00 H new ATOM 0 HD11 LEU A 9 8.827 7.412 1.805 1.00 0.00 H new ATOM 0 HD12 LEU A 9 10.067 8.266 0.856 1.00 0.00 H new ATOM 0 HD13 LEU A 9 10.161 8.249 2.633 1.00 0.00 H new ATOM 0 HD21 LEU A 9 7.178 8.711 3.160 1.00 0.00 H new ATOM 0 HD22 LEU A 9 8.516 9.548 3.984 1.00 0.00 H new ATOM 0 HD23 LEU A 9 7.241 10.489 3.174 1.00 0.00 H new ATOM 158 N PHE A 10 9.247 10.130 -0.832 1.00 0.00 N ATOM 159 CA PHE A 10 9.002 9.557 -2.188 1.00 0.00 C ATOM 160 C PHE A 10 8.826 8.039 -2.083 1.00 0.00 C ATOM 161 O PHE A 10 7.719 7.535 -2.002 1.00 0.00 O ATOM 162 CB PHE A 10 10.180 9.874 -3.128 1.00 0.00 C ATOM 163 CG PHE A 10 11.253 10.652 -2.395 1.00 0.00 C ATOM 164 CD1 PHE A 10 12.253 9.972 -1.687 1.00 0.00 C ATOM 165 CD2 PHE A 10 11.246 12.051 -2.426 1.00 0.00 C ATOM 166 CE1 PHE A 10 13.246 10.694 -1.012 1.00 0.00 C ATOM 167 CE2 PHE A 10 12.238 12.772 -1.751 1.00 0.00 C ATOM 168 CZ PHE A 10 13.238 12.093 -1.044 1.00 0.00 C ATOM 0 H PHE A 10 9.838 9.569 -0.219 1.00 0.00 H new ATOM 0 HA PHE A 10 8.095 10.004 -2.596 1.00 0.00 H new ATOM 0 HB2 PHE A 10 10.599 8.947 -3.520 1.00 0.00 H new ATOM 0 HB3 PHE A 10 9.825 10.450 -3.983 1.00 0.00 H new ATOM 0 HD1 PHE A 10 12.258 8.892 -1.662 1.00 0.00 H new ATOM 0 HD2 PHE A 10 10.475 12.575 -2.971 1.00 0.00 H new ATOM 0 HE1 PHE A 10 14.018 10.171 -0.467 1.00 0.00 H new ATOM 0 HE2 PHE A 10 12.232 13.852 -1.775 1.00 0.00 H new ATOM 0 HZ PHE A 10 14.003 12.649 -0.523 1.00 0.00 H new ATOM 178 N TYR A 11 9.904 7.303 -2.090 1.00 0.00 N ATOM 179 CA TYR A 11 9.789 5.823 -2.003 1.00 0.00 C ATOM 180 C TYR A 11 10.616 5.307 -0.824 1.00 0.00 C ATOM 181 O TYR A 11 11.655 5.844 -0.497 1.00 0.00 O ATOM 182 CB TYR A 11 10.312 5.200 -3.300 1.00 0.00 C ATOM 183 CG TYR A 11 11.680 5.761 -3.609 1.00 0.00 C ATOM 184 CD1 TYR A 11 12.781 5.392 -2.826 1.00 0.00 C ATOM 185 CD2 TYR A 11 11.848 6.652 -4.676 1.00 0.00 C ATOM 186 CE1 TYR A 11 14.049 5.913 -3.111 1.00 0.00 C ATOM 187 CE2 TYR A 11 13.117 7.173 -4.960 1.00 0.00 C ATOM 188 CZ TYR A 11 14.216 6.804 -4.177 1.00 0.00 C ATOM 189 OH TYR A 11 15.467 7.318 -4.456 1.00 0.00 O ATOM 0 H TYR A 11 10.856 7.663 -2.152 1.00 0.00 H new ATOM 0 HA TYR A 11 8.744 5.550 -1.856 1.00 0.00 H new ATOM 0 HB2 TYR A 11 10.365 4.116 -3.200 1.00 0.00 H new ATOM 0 HB3 TYR A 11 9.626 5.411 -4.120 1.00 0.00 H new ATOM 0 HD1 TYR A 11 12.652 4.706 -2.002 1.00 0.00 H new ATOM 0 HD2 TYR A 11 10.999 6.938 -5.280 1.00 0.00 H new ATOM 0 HE1 TYR A 11 14.898 5.627 -2.508 1.00 0.00 H new ATOM 0 HE2 TYR A 11 13.247 7.860 -5.783 1.00 0.00 H new ATOM 0 HH TYR A 11 15.409 7.920 -5.227 1.00 0.00 H new ATOM 199 N LYS A 12 10.164 4.260 -0.191 1.00 0.00 N ATOM 200 CA LYS A 12 10.922 3.699 0.961 1.00 0.00 C ATOM 201 C LYS A 12 11.372 2.278 0.619 1.00 0.00 C ATOM 202 O LYS A 12 10.768 1.605 -0.195 1.00 0.00 O ATOM 203 CB LYS A 12 10.026 3.668 2.201 1.00 0.00 C ATOM 204 CG LYS A 12 10.573 4.636 3.253 1.00 0.00 C ATOM 205 CD LYS A 12 10.176 4.152 4.649 1.00 0.00 C ATOM 206 CE LYS A 12 10.576 5.201 5.688 1.00 0.00 C ATOM 207 NZ LYS A 12 12.053 5.164 5.888 1.00 0.00 N ATOM 0 H LYS A 12 9.301 3.768 -0.423 1.00 0.00 H new ATOM 0 HA LYS A 12 11.793 4.322 1.165 1.00 0.00 H new ATOM 0 HB2 LYS A 12 9.006 3.945 1.933 1.00 0.00 H new ATOM 0 HB3 LYS A 12 9.985 2.658 2.608 1.00 0.00 H new ATOM 0 HG2 LYS A 12 11.658 4.700 3.174 1.00 0.00 H new ATOM 0 HG3 LYS A 12 10.181 5.638 3.079 1.00 0.00 H new ATOM 0 HD2 LYS A 12 9.101 3.974 4.692 1.00 0.00 H new ATOM 0 HD3 LYS A 12 10.665 3.203 4.869 1.00 0.00 H new ATOM 0 HE2 LYS A 12 10.268 6.193 5.357 1.00 0.00 H new ATOM 0 HE3 LYS A 12 10.065 5.007 6.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 12.318 5.829 6.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 12.343 4.202 6.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 12.530 5.435 5.004 1.00 0.00 H new ATOM 221 N THR A 13 12.426 1.816 1.232 1.00 0.00 N ATOM 222 CA THR A 13 12.910 0.439 0.939 1.00 0.00 C ATOM 223 C THR A 13 12.506 -0.496 2.084 1.00 0.00 C ATOM 224 O THR A 13 12.764 -0.224 3.239 1.00 0.00 O ATOM 225 CB THR A 13 14.436 0.453 0.799 1.00 0.00 C ATOM 226 OG1 THR A 13 14.790 1.053 -0.439 1.00 0.00 O ATOM 227 CG2 THR A 13 14.972 -0.980 0.846 1.00 0.00 C ATOM 0 H THR A 13 12.972 2.332 1.922 1.00 0.00 H new ATOM 0 HA THR A 13 12.466 0.085 0.009 1.00 0.00 H new ATOM 0 HB THR A 13 14.870 1.025 1.619 1.00 0.00 H new ATOM 0 HG1 THR A 13 15.766 1.065 -0.530 1.00 0.00 H new ATOM 0 HG21 THR A 13 16.057 -0.966 0.746 1.00 0.00 H new ATOM 0 HG22 THR A 13 14.701 -1.439 1.797 1.00 0.00 H new ATOM 0 HG23 THR A 13 14.540 -1.557 0.028 1.00 0.00 H new ATOM 235 N CYS A 14 11.880 -1.598 1.771 1.00 0.00 N ATOM 236 CA CYS A 14 11.468 -2.551 2.842 1.00 0.00 C ATOM 237 C CYS A 14 11.974 -3.955 2.494 1.00 0.00 C ATOM 238 O CYS A 14 11.203 -4.813 2.112 1.00 0.00 O ATOM 239 CB CYS A 14 9.941 -2.572 2.952 1.00 0.00 C ATOM 240 SG CYS A 14 9.226 -3.053 1.360 1.00 0.00 S ATOM 0 H CYS A 14 11.636 -1.880 0.821 1.00 0.00 H new ATOM 0 HA CYS A 14 11.894 -2.234 3.794 1.00 0.00 H new ATOM 0 HB2 CYS A 14 9.632 -3.272 3.728 1.00 0.00 H new ATOM 0 HB3 CYS A 14 9.574 -1.589 3.245 1.00 0.00 H new ATOM 245 N PRO A 15 13.262 -4.141 2.633 1.00 0.00 N ATOM 246 CA PRO A 15 13.919 -5.422 2.337 1.00 0.00 C ATOM 247 C PRO A 15 13.802 -6.344 3.549 1.00 0.00 C ATOM 248 O PRO A 15 12.885 -7.134 3.657 1.00 0.00 O ATOM 249 CB PRO A 15 15.378 -5.025 2.103 1.00 0.00 C ATOM 250 CG PRO A 15 15.585 -3.674 2.834 1.00 0.00 C ATOM 251 CD PRO A 15 14.184 -3.090 3.099 1.00 0.00 C ATOM 0 HA PRO A 15 13.486 -5.953 1.489 1.00 0.00 H new ATOM 0 HB2 PRO A 15 16.055 -5.785 2.493 1.00 0.00 H new ATOM 0 HB3 PRO A 15 15.588 -4.927 1.038 1.00 0.00 H new ATOM 0 HG2 PRO A 15 16.126 -3.820 3.769 1.00 0.00 H new ATOM 0 HG3 PRO A 15 16.179 -2.992 2.225 1.00 0.00 H new ATOM 0 HD2 PRO A 15 14.037 -2.871 4.157 1.00 0.00 H new ATOM 0 HD3 PRO A 15 14.032 -2.157 2.556 1.00 0.00 H new ATOM 259 N ALA A 16 14.715 -6.229 4.472 1.00 0.00 N ATOM 260 CA ALA A 16 14.648 -7.077 5.689 1.00 0.00 C ATOM 261 C ALA A 16 13.515 -6.560 6.577 1.00 0.00 C ATOM 262 O ALA A 16 13.122 -7.197 7.535 1.00 0.00 O ATOM 263 CB ALA A 16 15.975 -6.994 6.446 1.00 0.00 C ATOM 0 H ALA A 16 15.504 -5.584 4.434 1.00 0.00 H new ATOM 0 HA ALA A 16 14.463 -8.115 5.413 1.00 0.00 H new ATOM 0 HB1 ALA A 16 15.924 -7.617 7.339 1.00 0.00 H new ATOM 0 HB2 ALA A 16 16.783 -7.345 5.804 1.00 0.00 H new ATOM 0 HB3 ALA A 16 16.165 -5.960 6.735 1.00 0.00 H new ATOM 269 N GLY A 17 12.982 -5.405 6.263 1.00 0.00 N ATOM 270 CA GLY A 17 11.870 -4.853 7.088 1.00 0.00 C ATOM 271 C GLY A 17 10.556 -5.517 6.673 1.00 0.00 C ATOM 272 O GLY A 17 9.801 -5.991 7.497 1.00 0.00 O ATOM 0 H GLY A 17 13.269 -4.825 5.475 1.00 0.00 H new ATOM 0 HA2 GLY A 17 12.063 -5.032 8.146 1.00 0.00 H new ATOM 0 HA3 GLY A 17 11.804 -3.773 6.954 1.00 0.00 H new ATOM 276 N LYS A 18 10.279 -5.558 5.397 1.00 0.00 N ATOM 277 CA LYS A 18 9.016 -6.193 4.923 1.00 0.00 C ATOM 278 C LYS A 18 9.328 -7.116 3.742 1.00 0.00 C ATOM 279 O LYS A 18 10.469 -7.453 3.496 1.00 0.00 O ATOM 280 CB LYS A 18 8.034 -5.105 4.483 1.00 0.00 C ATOM 281 CG LYS A 18 7.950 -4.026 5.566 1.00 0.00 C ATOM 282 CD LYS A 18 6.979 -4.472 6.662 1.00 0.00 C ATOM 283 CE LYS A 18 7.644 -4.310 8.030 1.00 0.00 C ATOM 284 NZ LYS A 18 7.375 -5.519 8.860 1.00 0.00 N ATOM 0 H LYS A 18 10.875 -5.178 4.661 1.00 0.00 H new ATOM 0 HA LYS A 18 8.570 -6.775 5.730 1.00 0.00 H new ATOM 0 HB2 LYS A 18 8.360 -4.665 3.541 1.00 0.00 H new ATOM 0 HB3 LYS A 18 7.049 -5.538 4.309 1.00 0.00 H new ATOM 0 HG2 LYS A 18 8.937 -3.847 5.992 1.00 0.00 H new ATOM 0 HG3 LYS A 18 7.615 -3.085 5.130 1.00 0.00 H new ATOM 0 HD2 LYS A 18 6.066 -3.878 6.617 1.00 0.00 H new ATOM 0 HD3 LYS A 18 6.691 -5.512 6.507 1.00 0.00 H new ATOM 0 HE2 LYS A 18 8.718 -4.170 7.910 1.00 0.00 H new ATOM 0 HE3 LYS A 18 7.261 -3.420 8.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 7.350 -5.252 9.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 6.459 -5.930 8.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 8.128 -6.220 8.707 1.00 0.00 H new ATOM 298 N ASN A 19 8.331 -7.536 3.008 1.00 0.00 N ATOM 299 CA ASN A 19 8.601 -8.439 1.853 1.00 0.00 C ATOM 300 C ASN A 19 7.925 -7.905 0.583 1.00 0.00 C ATOM 301 O ASN A 19 8.287 -8.275 -0.516 1.00 0.00 O ATOM 302 CB ASN A 19 8.090 -9.852 2.173 1.00 0.00 C ATOM 303 CG ASN A 19 6.599 -9.974 1.838 1.00 0.00 C ATOM 304 OD1 ASN A 19 5.783 -9.250 2.369 1.00 0.00 O ATOM 305 ND2 ASN A 19 6.210 -10.869 0.972 1.00 0.00 N ATOM 0 H ASN A 19 7.351 -7.295 3.157 1.00 0.00 H new ATOM 0 HA ASN A 19 9.676 -8.477 1.678 1.00 0.00 H new ATOM 0 HB2 ASN A 19 8.658 -10.588 1.604 1.00 0.00 H new ATOM 0 HB3 ASN A 19 8.251 -10.073 3.228 1.00 0.00 H new ATOM 0 HD21 ASN A 19 5.220 -10.960 0.742 1.00 0.00 H new ATOM 0 HD22 ASN A 19 6.895 -11.478 0.525 1.00 0.00 H new ATOM 312 N LEU A 20 6.953 -7.041 0.712 1.00 0.00 N ATOM 313 CA LEU A 20 6.286 -6.508 -0.512 1.00 0.00 C ATOM 314 C LEU A 20 5.626 -5.164 -0.195 1.00 0.00 C ATOM 315 O LEU A 20 5.656 -4.699 0.925 1.00 0.00 O ATOM 316 CB LEU A 20 5.240 -7.524 -1.013 1.00 0.00 C ATOM 317 CG LEU A 20 3.872 -7.279 -0.359 1.00 0.00 C ATOM 318 CD1 LEU A 20 2.963 -8.484 -0.605 1.00 0.00 C ATOM 319 CD2 LEU A 20 4.045 -7.080 1.147 1.00 0.00 C ATOM 0 H LEU A 20 6.596 -6.685 1.599 1.00 0.00 H new ATOM 0 HA LEU A 20 7.027 -6.354 -1.297 1.00 0.00 H new ATOM 0 HB2 LEU A 20 5.147 -7.450 -2.096 1.00 0.00 H new ATOM 0 HB3 LEU A 20 5.577 -8.537 -0.790 1.00 0.00 H new ATOM 0 HG LEU A 20 3.424 -6.386 -0.794 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.993 -8.309 -0.140 1.00 0.00 H new ATOM 0 HD12 LEU A 20 2.831 -8.627 -1.677 1.00 0.00 H new ATOM 0 HD13 LEU A 20 3.416 -9.376 -0.173 1.00 0.00 H new ATOM 0 HD21 LEU A 20 3.071 -6.907 1.605 1.00 0.00 H new ATOM 0 HD22 LEU A 20 4.497 -7.971 1.582 1.00 0.00 H new ATOM 0 HD23 LEU A 20 4.690 -6.220 1.329 1.00 0.00 H new ATOM 331 N CYS A 21 5.026 -4.541 -1.169 1.00 0.00 N ATOM 332 CA CYS A 21 4.357 -3.238 -0.916 1.00 0.00 C ATOM 333 C CYS A 21 2.864 -3.489 -0.758 1.00 0.00 C ATOM 334 O CYS A 21 2.302 -4.319 -1.433 1.00 0.00 O ATOM 335 CB CYS A 21 4.599 -2.291 -2.094 1.00 0.00 C ATOM 336 SG CYS A 21 6.328 -2.406 -2.617 1.00 0.00 S ATOM 0 H CYS A 21 4.970 -4.879 -2.130 1.00 0.00 H new ATOM 0 HA CYS A 21 4.760 -2.781 -0.012 1.00 0.00 H new ATOM 0 HB2 CYS A 21 3.940 -2.549 -2.923 1.00 0.00 H new ATOM 0 HB3 CYS A 21 4.363 -1.267 -1.805 1.00 0.00 H new ATOM 341 N TYR A 22 2.216 -2.795 0.134 1.00 0.00 N ATOM 342 CA TYR A 22 0.759 -3.025 0.321 1.00 0.00 C ATOM 343 C TYR A 22 -0.010 -1.736 0.019 1.00 0.00 C ATOM 344 O TYR A 22 0.491 -0.643 0.200 1.00 0.00 O ATOM 345 CB TYR A 22 0.491 -3.471 1.765 1.00 0.00 C ATOM 346 CG TYR A 22 0.494 -2.272 2.685 1.00 0.00 C ATOM 347 CD1 TYR A 22 -0.679 -1.529 2.867 1.00 0.00 C ATOM 348 CD2 TYR A 22 1.667 -1.904 3.352 1.00 0.00 C ATOM 349 CE1 TYR A 22 -0.677 -0.416 3.716 1.00 0.00 C ATOM 350 CE2 TYR A 22 1.669 -0.792 4.202 1.00 0.00 C ATOM 351 CZ TYR A 22 0.497 -0.047 4.384 1.00 0.00 C ATOM 352 OH TYR A 22 0.501 1.050 5.221 1.00 0.00 O ATOM 0 H TYR A 22 2.629 -2.084 0.737 1.00 0.00 H new ATOM 0 HA TYR A 22 0.424 -3.806 -0.362 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -0.470 -3.983 1.824 1.00 0.00 H new ATOM 0 HB3 TYR A 22 1.252 -4.184 2.081 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -1.585 -1.815 2.353 1.00 0.00 H new ATOM 0 HD2 TYR A 22 2.571 -2.478 3.211 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -1.581 0.158 3.856 1.00 0.00 H new ATOM 0 HE2 TYR A 22 2.575 -0.508 4.718 1.00 0.00 H new ATOM 0 HH TYR A 22 1.395 1.165 5.605 1.00 0.00 H new ATOM 362 N LYS A 23 -1.227 -1.862 -0.430 1.00 0.00 N ATOM 363 CA LYS A 23 -2.041 -0.656 -0.734 1.00 0.00 C ATOM 364 C LYS A 23 -3.368 -0.761 0.012 1.00 0.00 C ATOM 365 O LYS A 23 -3.780 -1.829 0.423 1.00 0.00 O ATOM 366 CB LYS A 23 -2.295 -0.560 -2.241 1.00 0.00 C ATOM 367 CG LYS A 23 -2.259 0.909 -2.669 1.00 0.00 C ATOM 368 CD LYS A 23 -3.273 1.141 -3.790 1.00 0.00 C ATOM 369 CE LYS A 23 -2.909 0.270 -4.993 1.00 0.00 C ATOM 370 NZ LYS A 23 -4.153 -0.280 -5.602 1.00 0.00 N ATOM 0 H LYS A 23 -1.694 -2.753 -0.600 1.00 0.00 H new ATOM 0 HA LYS A 23 -1.507 0.239 -0.416 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -1.540 -1.128 -2.785 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -3.262 -0.998 -2.487 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -2.488 1.552 -1.819 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -1.258 1.175 -3.009 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -4.277 0.899 -3.443 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -3.280 2.192 -4.077 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -2.360 0.858 -5.729 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -2.253 -0.543 -4.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -3.918 -1.113 -6.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -4.815 -0.556 -4.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -4.595 0.444 -6.203 1.00 0.00 H new ATOM 384 N MET A 24 -4.035 0.339 0.193 1.00 0.00 N ATOM 385 CA MET A 24 -5.331 0.319 0.921 1.00 0.00 C ATOM 386 C MET A 24 -6.283 1.318 0.274 1.00 0.00 C ATOM 387 O MET A 24 -6.145 2.519 0.438 1.00 0.00 O ATOM 388 CB MET A 24 -5.099 0.706 2.383 1.00 0.00 C ATOM 389 CG MET A 24 -5.462 -0.473 3.289 1.00 0.00 C ATOM 390 SD MET A 24 -4.541 -0.342 4.843 1.00 0.00 S ATOM 391 CE MET A 24 -5.391 -1.670 5.732 1.00 0.00 C ATOM 0 H MET A 24 -3.737 1.258 -0.134 1.00 0.00 H new ATOM 0 HA MET A 24 -5.763 -0.681 0.876 1.00 0.00 H new ATOM 0 HB2 MET A 24 -4.057 0.987 2.535 1.00 0.00 H new ATOM 0 HB3 MET A 24 -5.704 1.575 2.640 1.00 0.00 H new ATOM 0 HG2 MET A 24 -6.534 -0.477 3.488 1.00 0.00 H new ATOM 0 HG3 MET A 24 -5.227 -1.414 2.792 1.00 0.00 H new ATOM 0 HE1 MET A 24 -4.972 -1.764 6.734 1.00 0.00 H new ATOM 0 HE2 MET A 24 -6.454 -1.438 5.803 1.00 0.00 H new ATOM 0 HE3 MET A 24 -5.260 -2.609 5.195 1.00 0.00 H new ATOM 401 N PHE A 25 -7.241 0.823 -0.463 1.00 0.00 N ATOM 402 CA PHE A 25 -8.217 1.716 -1.144 1.00 0.00 C ATOM 403 C PHE A 25 -9.515 1.773 -0.336 1.00 0.00 C ATOM 404 O PHE A 25 -9.691 1.061 0.634 1.00 0.00 O ATOM 405 CB PHE A 25 -8.520 1.155 -2.537 1.00 0.00 C ATOM 406 CG PHE A 25 -8.341 2.236 -3.578 1.00 0.00 C ATOM 407 CD1 PHE A 25 -9.400 3.101 -3.881 1.00 0.00 C ATOM 408 CD2 PHE A 25 -7.116 2.370 -4.244 1.00 0.00 C ATOM 409 CE1 PHE A 25 -9.234 4.099 -4.847 1.00 0.00 C ATOM 410 CE2 PHE A 25 -6.951 3.369 -5.211 1.00 0.00 C ATOM 411 CZ PHE A 25 -8.010 4.233 -5.513 1.00 0.00 C ATOM 0 H PHE A 25 -7.389 -0.174 -0.623 1.00 0.00 H new ATOM 0 HA PHE A 25 -7.796 2.718 -1.227 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -7.857 0.317 -2.753 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -9.540 0.772 -2.570 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -10.345 2.997 -3.369 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -6.299 1.703 -4.012 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -10.051 4.767 -5.079 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -6.006 3.473 -5.724 1.00 0.00 H new ATOM 0 HZ PHE A 25 -7.883 5.003 -6.260 1.00 0.00 H new ATOM 421 N MET A 26 -10.428 2.608 -0.743 1.00 0.00 N ATOM 422 CA MET A 26 -11.727 2.721 -0.024 1.00 0.00 C ATOM 423 C MET A 26 -12.855 2.710 -1.058 1.00 0.00 C ATOM 424 O MET A 26 -12.919 3.561 -1.926 1.00 0.00 O ATOM 425 CB MET A 26 -11.764 4.030 0.769 1.00 0.00 C ATOM 426 CG MET A 26 -12.584 3.830 2.045 1.00 0.00 C ATOM 427 SD MET A 26 -12.165 5.121 3.243 1.00 0.00 S ATOM 428 CE MET A 26 -11.225 4.076 4.383 1.00 0.00 C ATOM 0 H MET A 26 -10.329 3.223 -1.551 1.00 0.00 H new ATOM 0 HA MET A 26 -11.847 1.887 0.668 1.00 0.00 H new ATOM 0 HB2 MET A 26 -10.751 4.344 1.020 1.00 0.00 H new ATOM 0 HB3 MET A 26 -12.202 4.823 0.163 1.00 0.00 H new ATOM 0 HG2 MET A 26 -13.649 3.865 1.815 1.00 0.00 H new ATOM 0 HG3 MET A 26 -12.382 2.846 2.469 1.00 0.00 H new ATOM 0 HE1 MET A 26 -10.864 4.679 5.216 1.00 0.00 H new ATOM 0 HE2 MET A 26 -11.868 3.282 4.762 1.00 0.00 H new ATOM 0 HE3 MET A 26 -10.377 3.637 3.858 1.00 0.00 H new ATOM 438 N VAL A 27 -13.734 1.746 -0.990 1.00 0.00 N ATOM 439 CA VAL A 27 -14.837 1.683 -1.990 1.00 0.00 C ATOM 440 C VAL A 27 -16.189 1.921 -1.313 1.00 0.00 C ATOM 441 O VAL A 27 -17.226 1.624 -1.871 1.00 0.00 O ATOM 442 CB VAL A 27 -14.844 0.308 -2.664 1.00 0.00 C ATOM 443 CG1 VAL A 27 -15.384 0.444 -4.089 1.00 0.00 C ATOM 444 CG2 VAL A 27 -13.418 -0.249 -2.715 1.00 0.00 C ATOM 0 H VAL A 27 -13.736 1.004 -0.290 1.00 0.00 H new ATOM 0 HA VAL A 27 -14.673 2.460 -2.737 1.00 0.00 H new ATOM 0 HB VAL A 27 -15.478 -0.370 -2.093 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -15.390 -0.534 -4.571 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -16.399 0.839 -4.057 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -14.748 1.124 -4.656 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -13.427 -1.228 -3.195 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -12.783 0.429 -3.285 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -13.029 -0.346 -1.702 1.00 0.00 H new ATOM 454 N ALA A 28 -16.198 2.464 -0.125 1.00 0.00 N ATOM 455 CA ALA A 28 -17.501 2.724 0.550 1.00 0.00 C ATOM 456 C ALA A 28 -18.429 3.399 -0.459 1.00 0.00 C ATOM 457 O ALA A 28 -19.636 3.259 -0.412 1.00 0.00 O ATOM 458 CB ALA A 28 -17.286 3.647 1.752 1.00 0.00 C ATOM 0 H ALA A 28 -15.368 2.736 0.402 1.00 0.00 H new ATOM 0 HA ALA A 28 -17.938 1.790 0.902 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -18.241 3.834 2.242 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -16.603 3.173 2.457 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -16.860 4.592 1.414 1.00 0.00 H new ATOM 464 N THR A 29 -17.854 4.118 -1.383 1.00 0.00 N ATOM 465 CA THR A 29 -18.652 4.807 -2.434 1.00 0.00 C ATOM 466 C THR A 29 -17.691 5.591 -3.333 1.00 0.00 C ATOM 467 O THR A 29 -17.645 5.365 -4.525 1.00 0.00 O ATOM 468 CB THR A 29 -19.674 5.757 -1.801 1.00 0.00 C ATOM 469 OG1 THR A 29 -19.583 5.681 -0.385 1.00 0.00 O ATOM 470 CG2 THR A 29 -21.083 5.363 -2.247 1.00 0.00 C ATOM 0 H THR A 29 -16.846 4.259 -1.454 1.00 0.00 H new ATOM 0 HA THR A 29 -19.199 4.069 -3.021 1.00 0.00 H new ATOM 0 HB THR A 29 -19.466 6.778 -2.121 1.00 0.00 H new ATOM 0 HG1 THR A 29 -20.135 4.939 -0.061 1.00 0.00 H new ATOM 0 HG21 THR A 29 -21.810 6.039 -1.796 1.00 0.00 H new ATOM 0 HG22 THR A 29 -21.152 5.427 -3.333 1.00 0.00 H new ATOM 0 HG23 THR A 29 -21.293 4.341 -1.930 1.00 0.00 H new ATOM 478 N PRO A 30 -16.934 6.479 -2.732 1.00 0.00 N ATOM 479 CA PRO A 30 -15.945 7.295 -3.457 1.00 0.00 C ATOM 480 C PRO A 30 -14.656 6.492 -3.663 1.00 0.00 C ATOM 481 O PRO A 30 -13.703 6.649 -2.927 1.00 0.00 O ATOM 482 CB PRO A 30 -15.681 8.466 -2.510 1.00 0.00 C ATOM 483 CG PRO A 30 -16.061 7.973 -1.094 1.00 0.00 C ATOM 484 CD PRO A 30 -16.997 6.764 -1.281 1.00 0.00 C ATOM 0 HA PRO A 30 -16.290 7.610 -4.442 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -14.635 8.769 -2.548 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -16.275 9.335 -2.792 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -15.171 7.690 -0.531 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -16.557 8.763 -0.530 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -16.666 5.909 -0.692 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -18.014 6.995 -0.964 1.00 0.00 H new ATOM 492 N LYS A 31 -14.616 5.634 -4.648 1.00 0.00 N ATOM 493 CA LYS A 31 -13.379 4.830 -4.880 1.00 0.00 C ATOM 494 C LYS A 31 -12.155 5.734 -4.720 1.00 0.00 C ATOM 495 O LYS A 31 -11.777 6.453 -5.623 1.00 0.00 O ATOM 496 CB LYS A 31 -13.403 4.242 -6.292 1.00 0.00 C ATOM 497 CG LYS A 31 -13.474 5.372 -7.318 1.00 0.00 C ATOM 498 CD LYS A 31 -12.235 5.321 -8.214 1.00 0.00 C ATOM 499 CE LYS A 31 -12.669 5.220 -9.678 1.00 0.00 C ATOM 500 NZ LYS A 31 -11.493 4.860 -10.521 1.00 0.00 N ATOM 0 H LYS A 31 -15.381 5.455 -5.299 1.00 0.00 H new ATOM 0 HA LYS A 31 -13.331 4.017 -4.156 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -12.510 3.640 -6.461 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -14.261 3.579 -6.406 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -14.377 5.275 -7.921 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -13.531 6.335 -6.811 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -11.628 6.214 -8.064 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -11.615 4.465 -7.947 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -13.451 4.468 -9.786 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -13.091 6.169 -10.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -11.787 4.791 -11.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -10.761 5.592 -10.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -11.110 3.945 -10.209 1.00 0.00 H new ATOM 514 N VAL A 32 -11.539 5.711 -3.569 1.00 0.00 N ATOM 515 CA VAL A 32 -10.347 6.580 -3.344 1.00 0.00 C ATOM 516 C VAL A 32 -9.335 5.834 -2.466 1.00 0.00 C ATOM 517 O VAL A 32 -9.714 5.143 -1.543 1.00 0.00 O ATOM 518 CB VAL A 32 -10.803 7.873 -2.646 1.00 0.00 C ATOM 519 CG1 VAL A 32 -9.635 8.533 -1.900 1.00 0.00 C ATOM 520 CG2 VAL A 32 -11.340 8.849 -3.695 1.00 0.00 C ATOM 0 H VAL A 32 -11.809 5.129 -2.776 1.00 0.00 H new ATOM 0 HA VAL A 32 -9.874 6.828 -4.294 1.00 0.00 H new ATOM 0 HB VAL A 32 -11.582 7.622 -1.926 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -9.982 9.445 -1.415 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -9.249 7.846 -1.147 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -8.843 8.778 -2.608 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -11.665 9.767 -3.205 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -10.554 9.080 -4.414 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -12.185 8.397 -4.214 1.00 0.00 H new ATOM 530 N PRO A 33 -8.073 6.011 -2.771 1.00 0.00 N ATOM 531 CA PRO A 33 -6.981 5.374 -2.014 1.00 0.00 C ATOM 532 C PRO A 33 -6.804 6.079 -0.667 1.00 0.00 C ATOM 533 O PRO A 33 -7.249 7.193 -0.480 1.00 0.00 O ATOM 534 CB PRO A 33 -5.757 5.565 -2.911 1.00 0.00 C ATOM 535 CG PRO A 33 -6.083 6.757 -3.841 1.00 0.00 C ATOM 536 CD PRO A 33 -7.618 6.865 -3.887 1.00 0.00 C ATOM 0 HA PRO A 33 -7.161 4.323 -1.787 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -4.867 5.768 -2.316 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -5.555 4.664 -3.490 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -5.640 7.678 -3.462 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -5.675 6.594 -4.839 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -7.949 7.896 -3.761 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -8.014 6.518 -4.842 1.00 0.00 H new ATOM 544 N VAL A 34 -6.171 5.440 0.279 1.00 0.00 N ATOM 545 CA VAL A 34 -5.997 6.091 1.606 1.00 0.00 C ATOM 546 C VAL A 34 -4.673 5.676 2.253 1.00 0.00 C ATOM 547 O VAL A 34 -4.094 6.429 3.011 1.00 0.00 O ATOM 548 CB VAL A 34 -7.156 5.694 2.522 1.00 0.00 C ATOM 549 CG1 VAL A 34 -7.013 4.225 2.928 1.00 0.00 C ATOM 550 CG2 VAL A 34 -7.134 6.572 3.775 1.00 0.00 C ATOM 0 H VAL A 34 -5.771 4.506 0.191 1.00 0.00 H new ATOM 0 HA VAL A 34 -5.986 7.171 1.461 1.00 0.00 H new ATOM 0 HB VAL A 34 -8.099 5.832 1.993 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -7.840 3.946 3.580 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -7.026 3.598 2.036 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -6.070 4.084 3.457 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -7.959 6.292 4.430 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -6.189 6.432 4.301 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -7.238 7.618 3.488 1.00 0.00 H new ATOM 560 N LYS A 35 -4.182 4.496 1.985 1.00 0.00 N ATOM 561 CA LYS A 35 -2.896 4.094 2.632 1.00 0.00 C ATOM 562 C LYS A 35 -2.069 3.219 1.692 1.00 0.00 C ATOM 563 O LYS A 35 -2.584 2.364 1.013 1.00 0.00 O ATOM 564 CB LYS A 35 -3.196 3.316 3.913 1.00 0.00 C ATOM 565 CG LYS A 35 -4.055 4.175 4.842 1.00 0.00 C ATOM 566 CD LYS A 35 -4.526 3.330 6.027 1.00 0.00 C ATOM 567 CE LYS A 35 -6.012 3.584 6.282 1.00 0.00 C ATOM 568 NZ LYS A 35 -6.383 3.037 7.617 1.00 0.00 N ATOM 0 H LYS A 35 -4.602 3.806 1.362 1.00 0.00 H new ATOM 0 HA LYS A 35 -2.326 4.993 2.865 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -3.716 2.388 3.674 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -2.266 3.041 4.411 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -3.481 5.031 5.197 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -4.914 4.570 4.299 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -4.358 2.273 5.822 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -3.947 3.578 6.916 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -6.222 4.653 6.243 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -6.612 3.113 5.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -7.393 3.208 7.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -6.196 2.014 7.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -5.818 3.506 8.354 1.00 0.00 H new ATOM 582 N ARG A 36 -0.781 3.424 1.659 1.00 0.00 N ATOM 583 CA ARG A 36 0.087 2.596 0.771 1.00 0.00 C ATOM 584 C ARG A 36 1.521 2.629 1.306 1.00 0.00 C ATOM 585 O ARG A 36 2.129 3.676 1.406 1.00 0.00 O ATOM 586 CB ARG A 36 0.070 3.149 -0.664 1.00 0.00 C ATOM 587 CG ARG A 36 -0.647 4.503 -0.708 1.00 0.00 C ATOM 588 CD ARG A 36 -0.142 5.309 -1.905 1.00 0.00 C ATOM 589 NE ARG A 36 -1.289 6.006 -2.552 1.00 0.00 N ATOM 590 CZ ARG A 36 -1.200 6.397 -3.794 1.00 0.00 C ATOM 591 NH1 ARG A 36 -0.449 7.417 -4.105 1.00 0.00 N ATOM 592 NH2 ARG A 36 -1.861 5.765 -4.725 1.00 0.00 N ATOM 0 H ARG A 36 -0.291 4.130 2.209 1.00 0.00 H new ATOM 0 HA ARG A 36 -0.289 1.573 0.759 1.00 0.00 H new ATOM 0 HB2 ARG A 36 1.091 3.259 -1.030 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -0.432 2.443 -1.326 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -1.724 4.354 -0.785 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -0.466 5.052 0.216 1.00 0.00 H new ATOM 0 HD2 ARG A 36 0.603 6.036 -1.580 1.00 0.00 H new ATOM 0 HD3 ARG A 36 0.348 4.649 -2.621 1.00 0.00 H new ATOM 0 HE ARG A 36 -2.145 6.178 -2.024 1.00 0.00 H new ATOM 0 HH11 ARG A 36 0.069 7.909 -3.377 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -0.380 7.722 -5.076 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -2.447 4.966 -4.482 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -1.792 6.070 -5.696 1.00 0.00 H new ATOM 606 N GLY A 37 2.068 1.496 1.660 1.00 0.00 N ATOM 607 CA GLY A 37 3.462 1.485 2.194 1.00 0.00 C ATOM 608 C GLY A 37 4.107 0.119 1.951 1.00 0.00 C ATOM 609 O GLY A 37 3.948 -0.477 0.906 1.00 0.00 O ATOM 0 H GLY A 37 1.614 0.584 1.603 1.00 0.00 H new ATOM 0 HA2 GLY A 37 4.051 2.265 1.711 1.00 0.00 H new ATOM 0 HA3 GLY A 37 3.453 1.707 3.261 1.00 0.00 H new ATOM 613 N CYS A 38 4.839 -0.379 2.913 1.00 0.00 N ATOM 614 CA CYS A 38 5.498 -1.706 2.742 1.00 0.00 C ATOM 615 C CYS A 38 5.079 -2.634 3.883 1.00 0.00 C ATOM 616 O CYS A 38 5.103 -2.260 5.039 1.00 0.00 O ATOM 617 CB CYS A 38 7.018 -1.530 2.764 1.00 0.00 C ATOM 618 SG CYS A 38 7.681 -1.776 1.099 1.00 0.00 S ATOM 0 H CYS A 38 5.009 0.077 3.810 1.00 0.00 H new ATOM 0 HA CYS A 38 5.196 -2.139 1.789 1.00 0.00 H new ATOM 0 HB2 CYS A 38 7.274 -0.534 3.125 1.00 0.00 H new ATOM 0 HB3 CYS A 38 7.467 -2.244 3.454 1.00 0.00 H new ATOM 623 N ILE A 39 4.686 -3.838 3.570 1.00 0.00 N ATOM 624 CA ILE A 39 4.260 -4.782 4.637 1.00 0.00 C ATOM 625 C ILE A 39 4.820 -6.181 4.352 1.00 0.00 C ATOM 626 O ILE A 39 5.334 -6.455 3.281 1.00 0.00 O ATOM 627 CB ILE A 39 2.727 -4.827 4.672 1.00 0.00 C ATOM 628 CG1 ILE A 39 2.258 -5.323 6.040 1.00 0.00 C ATOM 629 CG2 ILE A 39 2.202 -5.768 3.582 1.00 0.00 C ATOM 630 CD1 ILE A 39 0.749 -5.119 6.158 1.00 0.00 C ATOM 0 H ILE A 39 4.642 -4.208 2.620 1.00 0.00 H new ATOM 0 HA ILE A 39 4.641 -4.446 5.601 1.00 0.00 H new ATOM 0 HB ILE A 39 2.341 -3.823 4.494 1.00 0.00 H new ATOM 0 HG12 ILE A 39 2.505 -6.378 6.162 1.00 0.00 H new ATOM 0 HG13 ILE A 39 2.773 -4.781 6.833 1.00 0.00 H new ATOM 0 HG21 ILE A 39 1.113 -5.792 3.616 1.00 0.00 H new ATOM 0 HG22 ILE A 39 2.527 -5.410 2.605 1.00 0.00 H new ATOM 0 HG23 ILE A 39 2.593 -6.772 3.749 1.00 0.00 H new ATOM 0 HD11 ILE A 39 0.409 -5.471 7.132 1.00 0.00 H new ATOM 0 HD12 ILE A 39 0.516 -4.059 6.054 1.00 0.00 H new ATOM 0 HD13 ILE A 39 0.243 -5.681 5.373 1.00 0.00 H new ATOM 642 N ASP A 40 4.716 -7.069 5.305 1.00 0.00 N ATOM 643 CA ASP A 40 5.224 -8.455 5.101 1.00 0.00 C ATOM 644 C ASP A 40 4.045 -9.377 4.776 1.00 0.00 C ATOM 645 O ASP A 40 4.219 -10.520 4.401 1.00 0.00 O ATOM 646 CB ASP A 40 5.915 -8.942 6.377 1.00 0.00 C ATOM 647 CG ASP A 40 7.058 -9.889 6.007 1.00 0.00 C ATOM 648 OD1 ASP A 40 6.771 -11.007 5.611 1.00 0.00 O ATOM 649 OD2 ASP A 40 8.201 -9.480 6.127 1.00 0.00 O ATOM 0 H ASP A 40 4.299 -6.892 6.219 1.00 0.00 H new ATOM 0 HA ASP A 40 5.939 -8.466 4.278 1.00 0.00 H new ATOM 0 HB2 ASP A 40 6.300 -8.093 6.942 1.00 0.00 H new ATOM 0 HB3 ASP A 40 5.198 -9.453 7.019 1.00 0.00 H new ATOM 654 N VAL A 41 2.844 -8.883 4.918 1.00 0.00 N ATOM 655 CA VAL A 41 1.641 -9.714 4.620 1.00 0.00 C ATOM 656 C VAL A 41 0.430 -8.793 4.451 1.00 0.00 C ATOM 657 O VAL A 41 0.065 -8.060 5.348 1.00 0.00 O ATOM 658 CB VAL A 41 1.376 -10.699 5.768 1.00 0.00 C ATOM 659 CG1 VAL A 41 1.905 -12.083 5.386 1.00 0.00 C ATOM 660 CG2 VAL A 41 2.080 -10.221 7.043 1.00 0.00 C ATOM 0 H VAL A 41 2.643 -7.933 5.230 1.00 0.00 H new ATOM 0 HA VAL A 41 1.813 -10.280 3.704 1.00 0.00 H new ATOM 0 HB VAL A 41 0.303 -10.753 5.950 1.00 0.00 H new ATOM 0 HG11 VAL A 41 1.717 -12.782 6.201 1.00 0.00 H new ATOM 0 HG12 VAL A 41 1.398 -12.430 4.486 1.00 0.00 H new ATOM 0 HG13 VAL A 41 2.977 -12.024 5.199 1.00 0.00 H new ATOM 0 HG21 VAL A 41 1.886 -10.926 7.852 1.00 0.00 H new ATOM 0 HG22 VAL A 41 3.154 -10.159 6.865 1.00 0.00 H new ATOM 0 HG23 VAL A 41 1.701 -9.237 7.321 1.00 0.00 H new ATOM 670 N CYS A 42 -0.193 -8.823 3.306 1.00 0.00 N ATOM 671 CA CYS A 42 -1.376 -7.945 3.077 1.00 0.00 C ATOM 672 C CYS A 42 -2.565 -8.468 3.892 1.00 0.00 C ATOM 673 O CYS A 42 -2.781 -9.661 3.968 1.00 0.00 O ATOM 674 CB CYS A 42 -1.739 -7.945 1.588 1.00 0.00 C ATOM 675 SG CYS A 42 -0.226 -7.990 0.595 1.00 0.00 S ATOM 0 H CYS A 42 0.065 -9.417 2.518 1.00 0.00 H new ATOM 0 HA CYS A 42 -1.137 -6.929 3.390 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -2.364 -8.807 1.356 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -2.320 -7.055 1.345 1.00 0.00 H new ATOM 680 N PRO A 43 -3.301 -7.557 4.479 1.00 0.00 N ATOM 681 CA PRO A 43 -4.479 -7.895 5.299 1.00 0.00 C ATOM 682 C PRO A 43 -5.679 -8.230 4.405 1.00 0.00 C ATOM 683 O PRO A 43 -5.597 -8.175 3.194 1.00 0.00 O ATOM 684 CB PRO A 43 -4.736 -6.616 6.101 1.00 0.00 C ATOM 685 CG PRO A 43 -4.081 -5.463 5.304 1.00 0.00 C ATOM 686 CD PRO A 43 -3.028 -6.108 4.383 1.00 0.00 C ATOM 0 HA PRO A 43 -4.323 -8.767 5.934 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -5.805 -6.444 6.226 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -4.306 -6.691 7.100 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -4.827 -4.922 4.721 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -3.618 -4.741 5.977 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -3.124 -5.752 3.357 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -2.015 -5.871 4.709 1.00 0.00 H new ATOM 694 N LYS A 44 -6.792 -8.578 4.993 1.00 0.00 N ATOM 695 CA LYS A 44 -7.992 -8.918 4.174 1.00 0.00 C ATOM 696 C LYS A 44 -8.919 -7.702 4.091 1.00 0.00 C ATOM 697 O LYS A 44 -8.999 -6.905 5.005 1.00 0.00 O ATOM 698 CB LYS A 44 -8.738 -10.090 4.819 1.00 0.00 C ATOM 699 CG LYS A 44 -9.494 -9.602 6.056 1.00 0.00 C ATOM 700 CD LYS A 44 -9.548 -10.722 7.097 1.00 0.00 C ATOM 701 CE LYS A 44 -9.156 -10.165 8.466 1.00 0.00 C ATOM 702 NZ LYS A 44 -10.270 -10.389 9.432 1.00 0.00 N ATOM 0 H LYS A 44 -6.922 -8.642 6.003 1.00 0.00 H new ATOM 0 HA LYS A 44 -7.676 -9.200 3.170 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -9.435 -10.528 4.104 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -8.033 -10.873 5.097 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -9.000 -8.725 6.475 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -10.504 -9.298 5.781 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -10.551 -11.146 7.139 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -8.872 -11.529 6.814 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -8.248 -10.652 8.822 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -8.937 -9.100 8.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -10.003 -10.010 10.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -11.126 -9.905 9.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -10.459 -11.408 9.514 1.00 0.00 H new ATOM 716 N SER A 45 -9.624 -7.557 3.002 1.00 0.00 N ATOM 717 CA SER A 45 -10.550 -6.398 2.860 1.00 0.00 C ATOM 718 C SER A 45 -11.796 -6.643 3.712 1.00 0.00 C ATOM 719 O SER A 45 -12.503 -7.614 3.528 1.00 0.00 O ATOM 720 CB SER A 45 -10.954 -6.247 1.392 1.00 0.00 C ATOM 721 OG SER A 45 -12.161 -5.499 1.310 1.00 0.00 O ATOM 0 H SER A 45 -9.598 -8.192 2.204 1.00 0.00 H new ATOM 0 HA SER A 45 -10.053 -5.487 3.193 1.00 0.00 H new ATOM 0 HB2 SER A 45 -10.163 -5.744 0.835 1.00 0.00 H new ATOM 0 HB3 SER A 45 -11.090 -7.228 0.938 1.00 0.00 H new ATOM 0 HG SER A 45 -11.991 -4.573 1.583 1.00 0.00 H new ATOM 727 N SER A 46 -12.069 -5.777 4.649 1.00 0.00 N ATOM 728 CA SER A 46 -13.266 -5.971 5.515 1.00 0.00 C ATOM 729 C SER A 46 -14.540 -5.657 4.717 1.00 0.00 C ATOM 730 O SER A 46 -14.964 -6.437 3.887 1.00 0.00 O ATOM 731 CB SER A 46 -13.167 -5.052 6.733 1.00 0.00 C ATOM 732 OG SER A 46 -12.584 -3.815 6.342 1.00 0.00 O ATOM 0 H SER A 46 -11.516 -4.945 4.852 1.00 0.00 H new ATOM 0 HA SER A 46 -13.309 -7.007 5.852 1.00 0.00 H new ATOM 0 HB2 SER A 46 -14.157 -4.883 7.157 1.00 0.00 H new ATOM 0 HB3 SER A 46 -12.564 -5.522 7.510 1.00 0.00 H new ATOM 0 HG SER A 46 -12.521 -3.223 7.120 1.00 0.00 H new ATOM 738 N LEU A 47 -15.158 -4.529 4.957 1.00 0.00 N ATOM 739 CA LEU A 47 -16.400 -4.188 4.206 1.00 0.00 C ATOM 740 C LEU A 47 -16.383 -2.703 3.844 1.00 0.00 C ATOM 741 O LEU A 47 -17.397 -2.122 3.509 1.00 0.00 O ATOM 742 CB LEU A 47 -17.621 -4.485 5.080 1.00 0.00 C ATOM 743 CG LEU A 47 -17.365 -3.980 6.502 1.00 0.00 C ATOM 744 CD1 LEU A 47 -18.455 -2.981 6.894 1.00 0.00 C ATOM 745 CD2 LEU A 47 -17.387 -5.162 7.472 1.00 0.00 C ATOM 0 H LEU A 47 -14.856 -3.832 5.638 1.00 0.00 H new ATOM 0 HA LEU A 47 -16.451 -4.785 3.295 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -18.505 -4.002 4.665 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -17.820 -5.557 5.093 1.00 0.00 H new ATOM 0 HG LEU A 47 -16.392 -3.491 6.544 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -18.272 -2.622 7.907 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -18.442 -2.139 6.202 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -19.428 -3.470 6.853 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -17.205 -4.804 8.485 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -18.361 -5.650 7.429 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -16.611 -5.875 7.194 1.00 0.00 H new ATOM 757 N LEU A 48 -15.238 -2.083 3.911 1.00 0.00 N ATOM 758 CA LEU A 48 -15.154 -0.636 3.575 1.00 0.00 C ATOM 759 C LEU A 48 -13.699 -0.266 3.282 1.00 0.00 C ATOM 760 O LEU A 48 -13.215 0.766 3.703 1.00 0.00 O ATOM 761 CB LEU A 48 -15.663 0.190 4.758 1.00 0.00 C ATOM 762 CG LEU A 48 -16.236 1.512 4.249 1.00 0.00 C ATOM 763 CD1 LEU A 48 -17.459 1.894 5.084 1.00 0.00 C ATOM 764 CD2 LEU A 48 -15.173 2.606 4.373 1.00 0.00 C ATOM 0 H LEU A 48 -14.356 -2.517 4.184 1.00 0.00 H new ATOM 0 HA LEU A 48 -15.765 -0.429 2.697 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -16.428 -0.365 5.300 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -14.850 0.380 5.459 1.00 0.00 H new ATOM 0 HG LEU A 48 -16.529 1.404 3.205 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -17.867 2.837 4.721 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -18.216 1.114 4.999 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -17.167 2.004 6.128 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -15.579 3.550 4.011 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -14.882 2.713 5.418 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -14.300 2.334 3.779 1.00 0.00 H new ATOM 776 N VAL A 49 -12.996 -1.100 2.564 1.00 0.00 N ATOM 777 CA VAL A 49 -11.573 -0.792 2.249 1.00 0.00 C ATOM 778 C VAL A 49 -10.909 -2.020 1.622 1.00 0.00 C ATOM 779 O VAL A 49 -10.875 -3.086 2.206 1.00 0.00 O ATOM 780 CB VAL A 49 -10.838 -0.411 3.539 1.00 0.00 C ATOM 781 CG1 VAL A 49 -11.206 -1.399 4.648 1.00 0.00 C ATOM 782 CG2 VAL A 49 -9.324 -0.454 3.304 1.00 0.00 C ATOM 0 H VAL A 49 -13.345 -1.979 2.183 1.00 0.00 H new ATOM 0 HA VAL A 49 -11.527 0.039 1.546 1.00 0.00 H new ATOM 0 HB VAL A 49 -11.131 0.597 3.834 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -10.683 -1.128 5.565 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -12.282 -1.368 4.821 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -10.916 -2.406 4.349 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -8.805 -0.183 4.223 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -9.031 -1.460 3.005 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -9.058 0.250 2.516 1.00 0.00 H new ATOM 792 N LYS A 50 -10.374 -1.878 0.440 1.00 0.00 N ATOM 793 CA LYS A 50 -9.706 -3.035 -0.219 1.00 0.00 C ATOM 794 C LYS A 50 -8.191 -2.909 -0.039 1.00 0.00 C ATOM 795 O LYS A 50 -7.699 -1.925 0.475 1.00 0.00 O ATOM 796 CB LYS A 50 -10.048 -3.043 -1.710 1.00 0.00 C ATOM 797 CG LYS A 50 -10.928 -4.255 -2.025 1.00 0.00 C ATOM 798 CD LYS A 50 -12.403 -3.847 -1.975 1.00 0.00 C ATOM 799 CE LYS A 50 -13.080 -4.217 -3.297 1.00 0.00 C ATOM 800 NZ LYS A 50 -14.556 -4.281 -3.101 1.00 0.00 N ATOM 0 H LYS A 50 -10.371 -1.011 -0.097 1.00 0.00 H new ATOM 0 HA LYS A 50 -10.052 -3.965 0.233 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -10.567 -2.123 -1.980 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -9.134 -3.079 -2.303 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -10.683 -4.649 -3.011 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -10.736 -5.052 -1.307 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -12.902 -4.348 -1.146 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -12.489 -2.775 -1.798 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -12.836 -3.479 -4.061 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -12.708 -5.178 -3.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -15.015 -4.532 -4.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -14.780 -5.001 -2.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -14.904 -3.355 -2.782 1.00 0.00 H new ATOM 814 N TYR A 51 -7.447 -3.898 -0.451 1.00 0.00 N ATOM 815 CA TYR A 51 -5.967 -3.827 -0.293 1.00 0.00 C ATOM 816 C TYR A 51 -5.287 -4.320 -1.573 1.00 0.00 C ATOM 817 O TYR A 51 -5.809 -5.159 -2.279 1.00 0.00 O ATOM 818 CB TYR A 51 -5.543 -4.711 0.881 1.00 0.00 C ATOM 819 CG TYR A 51 -5.746 -6.163 0.515 1.00 0.00 C ATOM 820 CD1 TYR A 51 -4.786 -6.829 -0.257 1.00 0.00 C ATOM 821 CD2 TYR A 51 -6.892 -6.844 0.946 1.00 0.00 C ATOM 822 CE1 TYR A 51 -4.971 -8.174 -0.598 1.00 0.00 C ATOM 823 CE2 TYR A 51 -7.076 -8.190 0.605 1.00 0.00 C ATOM 824 CZ TYR A 51 -6.115 -8.855 -0.167 1.00 0.00 C ATOM 825 OH TYR A 51 -6.298 -10.182 -0.503 1.00 0.00 O ATOM 0 H TYR A 51 -7.798 -4.750 -0.889 1.00 0.00 H new ATOM 0 HA TYR A 51 -5.671 -2.795 -0.103 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -4.497 -4.530 1.128 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -6.127 -4.463 1.767 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -3.902 -6.305 -0.589 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -7.633 -6.331 1.541 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -4.230 -8.686 -1.194 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -7.959 -8.715 0.937 1.00 0.00 H new ATOM 0 HH TYR A 51 -7.143 -10.502 -0.123 1.00 0.00 H new ATOM 835 N VAL A 52 -4.125 -3.808 -1.877 1.00 0.00 N ATOM 836 CA VAL A 52 -3.419 -4.257 -3.111 1.00 0.00 C ATOM 837 C VAL A 52 -1.908 -4.208 -2.885 1.00 0.00 C ATOM 838 O VAL A 52 -1.350 -3.175 -2.580 1.00 0.00 O ATOM 839 CB VAL A 52 -3.788 -3.339 -4.277 1.00 0.00 C ATOM 840 CG1 VAL A 52 -3.281 -3.948 -5.584 1.00 0.00 C ATOM 841 CG2 VAL A 52 -5.309 -3.192 -4.341 1.00 0.00 C ATOM 0 H VAL A 52 -3.636 -3.102 -1.327 1.00 0.00 H new ATOM 0 HA VAL A 52 -3.719 -5.279 -3.344 1.00 0.00 H new ATOM 0 HB VAL A 52 -3.331 -2.360 -4.131 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -3.544 -3.294 -6.416 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -2.198 -4.059 -5.538 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -3.740 -4.926 -5.732 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -5.577 -2.538 -5.171 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -5.763 -4.172 -4.490 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -5.672 -2.761 -3.408 1.00 0.00 H new ATOM 851 N CYS A 53 -1.240 -5.317 -3.030 1.00 0.00 N ATOM 852 CA CYS A 53 0.235 -5.323 -2.816 1.00 0.00 C ATOM 853 C CYS A 53 0.950 -5.537 -4.151 1.00 0.00 C ATOM 854 O CYS A 53 0.354 -5.927 -5.135 1.00 0.00 O ATOM 855 CB CYS A 53 0.647 -6.440 -1.840 1.00 0.00 C ATOM 856 SG CYS A 53 -0.801 -7.349 -1.231 1.00 0.00 S ATOM 0 H CYS A 53 -1.648 -6.216 -3.286 1.00 0.00 H new ATOM 0 HA CYS A 53 0.519 -4.361 -2.389 1.00 0.00 H new ATOM 0 HB2 CYS A 53 1.328 -7.129 -2.339 1.00 0.00 H new ATOM 0 HB3 CYS A 53 1.189 -6.009 -0.998 1.00 0.00 H new ATOM 861 N CYS A 54 2.230 -5.282 -4.185 1.00 0.00 N ATOM 862 CA CYS A 54 3.003 -5.463 -5.445 1.00 0.00 C ATOM 863 C CYS A 54 4.434 -5.883 -5.099 1.00 0.00 C ATOM 864 O CYS A 54 4.924 -5.617 -4.019 1.00 0.00 O ATOM 865 CB CYS A 54 3.030 -4.142 -6.217 1.00 0.00 C ATOM 866 SG CYS A 54 3.640 -4.434 -7.896 1.00 0.00 S ATOM 0 H CYS A 54 2.776 -4.954 -3.388 1.00 0.00 H new ATOM 0 HA CYS A 54 2.534 -6.232 -6.059 1.00 0.00 H new ATOM 0 HB2 CYS A 54 2.030 -3.709 -6.252 1.00 0.00 H new ATOM 0 HB3 CYS A 54 3.671 -3.423 -5.706 1.00 0.00 H new ATOM 871 N ASN A 55 5.109 -6.536 -6.005 1.00 0.00 N ATOM 872 CA ASN A 55 6.508 -6.969 -5.723 1.00 0.00 C ATOM 873 C ASN A 55 7.328 -6.906 -7.014 1.00 0.00 C ATOM 874 O ASN A 55 8.088 -7.802 -7.323 1.00 0.00 O ATOM 875 CB ASN A 55 6.502 -8.405 -5.192 1.00 0.00 C ATOM 876 CG ASN A 55 7.582 -8.560 -4.119 1.00 0.00 C ATOM 877 OD1 ASN A 55 7.406 -8.133 -2.996 1.00 0.00 O ATOM 878 ND2 ASN A 55 8.701 -9.162 -4.420 1.00 0.00 N ATOM 0 H ASN A 55 4.753 -6.788 -6.927 1.00 0.00 H new ATOM 0 HA ASN A 55 6.950 -6.309 -4.977 1.00 0.00 H new ATOM 0 HB2 ASN A 55 5.524 -8.645 -4.775 1.00 0.00 H new ATOM 0 HB3 ASN A 55 6.682 -9.106 -6.007 1.00 0.00 H new ATOM 0 HD21 ASN A 55 9.427 -9.273 -3.712 1.00 0.00 H new ATOM 0 HD22 ASN A 55 8.849 -9.521 -5.363 1.00 0.00 H new ATOM 885 N THR A 56 7.179 -5.851 -7.767 1.00 0.00 N ATOM 886 CA THR A 56 7.948 -5.724 -9.037 1.00 0.00 C ATOM 887 C THR A 56 8.912 -4.540 -8.934 1.00 0.00 C ATOM 888 O THR A 56 9.775 -4.357 -9.770 1.00 0.00 O ATOM 889 CB THR A 56 6.979 -5.494 -10.198 1.00 0.00 C ATOM 890 OG1 THR A 56 5.809 -6.275 -9.998 1.00 0.00 O ATOM 891 CG2 THR A 56 7.650 -5.902 -11.510 1.00 0.00 C ATOM 0 H THR A 56 6.557 -5.070 -7.557 1.00 0.00 H new ATOM 0 HA THR A 56 8.515 -6.639 -9.212 1.00 0.00 H new ATOM 0 HB THR A 56 6.708 -4.439 -10.244 1.00 0.00 H new ATOM 0 HG1 THR A 56 5.181 -5.784 -9.428 1.00 0.00 H new ATOM 0 HG21 THR A 56 6.960 -5.738 -12.338 1.00 0.00 H new ATOM 0 HG22 THR A 56 8.547 -5.302 -11.662 1.00 0.00 H new ATOM 0 HG23 THR A 56 7.922 -6.957 -11.467 1.00 0.00 H new ATOM 899 N ASP A 57 8.769 -3.735 -7.914 1.00 0.00 N ATOM 900 CA ASP A 57 9.674 -2.560 -7.746 1.00 0.00 C ATOM 901 C ASP A 57 9.219 -1.424 -8.666 1.00 0.00 C ATOM 902 O ASP A 57 9.200 -1.557 -9.874 1.00 0.00 O ATOM 903 CB ASP A 57 11.109 -2.961 -8.094 1.00 0.00 C ATOM 904 CG ASP A 57 12.085 -1.970 -7.456 1.00 0.00 C ATOM 905 OD1 ASP A 57 12.168 -0.854 -7.943 1.00 0.00 O ATOM 906 OD2 ASP A 57 12.732 -2.343 -6.492 1.00 0.00 O ATOM 0 H ASP A 57 8.061 -3.841 -7.187 1.00 0.00 H new ATOM 0 HA ASP A 57 9.636 -2.222 -6.710 1.00 0.00 H new ATOM 0 HB2 ASP A 57 11.313 -3.970 -7.736 1.00 0.00 H new ATOM 0 HB3 ASP A 57 11.242 -2.974 -9.176 1.00 0.00 H new ATOM 911 N ARG A 58 8.851 -0.307 -8.100 1.00 0.00 N ATOM 912 CA ARG A 58 8.394 0.841 -8.933 1.00 0.00 C ATOM 913 C ARG A 58 7.004 0.542 -9.498 1.00 0.00 C ATOM 914 O ARG A 58 6.519 1.226 -10.377 1.00 0.00 O ATOM 915 CB ARG A 58 9.376 1.071 -10.083 1.00 0.00 C ATOM 916 CG ARG A 58 9.660 2.568 -10.215 1.00 0.00 C ATOM 917 CD ARG A 58 10.143 2.873 -11.633 1.00 0.00 C ATOM 918 NE ARG A 58 11.436 2.175 -11.876 1.00 0.00 N ATOM 919 CZ ARG A 58 11.905 2.077 -13.089 1.00 0.00 C ATOM 920 NH1 ARG A 58 11.395 2.802 -14.048 1.00 0.00 N ATOM 921 NH2 ARG A 58 12.885 1.255 -13.344 1.00 0.00 N ATOM 0 H ARG A 58 8.847 -0.140 -7.094 1.00 0.00 H new ATOM 0 HA ARG A 58 8.350 1.738 -8.315 1.00 0.00 H new ATOM 0 HB2 ARG A 58 10.303 0.528 -9.898 1.00 0.00 H new ATOM 0 HB3 ARG A 58 8.960 0.685 -11.014 1.00 0.00 H new ATOM 0 HG2 ARG A 58 8.759 3.141 -9.995 1.00 0.00 H new ATOM 0 HG3 ARG A 58 10.415 2.871 -9.489 1.00 0.00 H new ATOM 0 HD2 ARG A 58 9.399 2.548 -12.360 1.00 0.00 H new ATOM 0 HD3 ARG A 58 10.267 3.948 -11.763 1.00 0.00 H new ATOM 0 HE ARG A 58 11.954 1.774 -11.094 1.00 0.00 H new ATOM 0 HH11 ARG A 58 10.629 3.446 -13.849 1.00 0.00 H new ATOM 0 HH12 ARG A 58 11.762 2.725 -14.996 1.00 0.00 H new ATOM 0 HH21 ARG A 58 13.284 0.689 -12.595 1.00 0.00 H new ATOM 0 HH22 ARG A 58 13.252 1.178 -14.292 1.00 0.00 H new ATOM 935 N CYS A 59 6.357 -0.475 -8.997 1.00 0.00 N ATOM 936 CA CYS A 59 4.997 -0.814 -9.501 1.00 0.00 C ATOM 937 C CYS A 59 3.948 -0.340 -8.492 1.00 0.00 C ATOM 938 O CYS A 59 2.759 -0.467 -8.713 1.00 0.00 O ATOM 939 CB CYS A 59 4.882 -2.328 -9.679 1.00 0.00 C ATOM 940 SG CYS A 59 5.179 -3.141 -8.090 1.00 0.00 S ATOM 0 H CYS A 59 6.712 -1.085 -8.261 1.00 0.00 H new ATOM 0 HA CYS A 59 4.831 -0.321 -10.459 1.00 0.00 H new ATOM 0 HB2 CYS A 59 3.892 -2.588 -10.054 1.00 0.00 H new ATOM 0 HB3 CYS A 59 5.604 -2.675 -10.419 1.00 0.00 H new ATOM 945 N ASN A 60 4.376 0.202 -7.383 1.00 0.00 N ATOM 946 CA ASN A 60 3.399 0.679 -6.364 1.00 0.00 C ATOM 947 C ASN A 60 3.970 1.897 -5.635 1.00 0.00 C ATOM 948 O ASN A 60 5.182 1.980 -5.519 1.00 0.00 O ATOM 949 CB ASN A 60 3.131 -0.440 -5.357 1.00 0.00 C ATOM 950 CG ASN A 60 1.646 -0.804 -5.387 1.00 0.00 C ATOM 951 OD1 ASN A 60 1.206 -1.542 -6.246 1.00 0.00 O ATOM 952 ND2 ASN A 60 0.849 -0.314 -4.478 1.00 0.00 N ATOM 953 OXT ASN A 60 3.185 2.727 -5.207 1.00 0.00 O ATOM 0 H ASN A 60 5.358 0.334 -7.140 1.00 0.00 H new ATOM 0 HA ASN A 60 2.467 0.958 -6.856 1.00 0.00 H new ATOM 0 HB2 ASN A 60 3.736 -1.314 -5.598 1.00 0.00 H new ATOM 0 HB3 ASN A 60 3.418 -0.120 -4.355 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -0.143 -0.550 -4.489 1.00 0.00 H new ATOM 0 HD22 ASN A 60 1.218 0.306 -3.757 1.00 0.00 H new TER 960 ASN A 60