USER MOD reduce.3.24.130724 H: found=0, std=0, add=437, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 434 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 22 ASN : amide:sc= -0.529 K(o=0.92,f=-2.4!) USER MOD Set 1.2: A 23 THR OG1 : rot -70:sc= 0.752 USER MOD Set 1.3: A 46 ASN : amide:sc= 0.693 K(o=0.92,f=0.079) USER MOD Single : A 1 LEU N :NH3+ 141:sc= 0.0226 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 144:sc= 1.26 (180deg=1.06) USER MOD Single : A 5 GLN :FLIP amide:sc= -0.0125 F(o=-2.5!,f=-0.013) USER MOD Single : A 6 HIS : no HD1:sc= -0.01 X(o=-0.01,f=-0.01) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 HIS : no HE2:sc=-0.00972 K(o=-0.0097,f=-7.4!) USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 157:sc= 1.21 (180deg=0.686) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 HIS :FLIP no HD1:sc= -0.316 F(o=-1.1,f=-0.32) USER MOD Single : A 25 MET CE :methyl 166:sc= -0.0222 (180deg=-0.298) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN : amide:sc= 1.16 K(o=1.2,f=-2.3!) USER MOD Single : A 38 SER OG : rot -129:sc= 1.18 USER MOD Single : A 39 SER OG : rot 50:sc= 0.308 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot -68:sc= -1.21! USER MOD Single : A 47 ASN : amide:sc= -1.35 K(o=-1.3,f=-5.9!) USER MOD Single : A 48 LYS NZ :NH3+ -163:sc= -0.649 (180deg=-1.32) USER MOD Single : A 51 SER OG : rot 180:sc= 0.00484 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= -0.399 K(o=-0.4,f=-12!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 4.248 14.660 1.711 1.00 0.00 N ATOM 2 CA LEU A 1 4.385 13.456 2.536 1.00 0.00 C ATOM 3 C LEU A 1 5.485 12.581 2.055 1.00 0.00 C ATOM 4 O LEU A 1 5.694 12.436 0.858 1.00 0.00 O ATOM 5 CB LEU A 1 3.095 12.645 2.589 1.00 0.00 C ATOM 6 CG LEU A 1 2.025 13.125 3.550 1.00 0.00 C ATOM 7 CD1 LEU A 1 0.809 12.235 3.440 1.00 0.00 C ATOM 8 CD2 LEU A 1 2.564 13.091 4.966 1.00 0.00 C ATOM 0 H1 LEU A 1 3.240 14.882 1.585 1.00 0.00 H new ATOM 0 H2 LEU A 1 4.722 15.458 2.180 1.00 0.00 H new ATOM 0 H3 LEU A 1 4.685 14.496 0.782 1.00 0.00 H new ATOM 0 HA LEU A 1 4.620 13.809 3.540 1.00 0.00 H new ATOM 0 HB2 LEU A 1 2.666 12.622 1.587 1.00 0.00 H new ATOM 0 HB3 LEU A 1 3.350 11.618 2.850 1.00 0.00 H new ATOM 0 HG LEU A 1 1.742 14.147 3.299 1.00 0.00 H new ATOM 0 HD11 LEU A 1 0.041 12.581 4.131 1.00 0.00 H new ATOM 0 HD12 LEU A 1 0.423 12.271 2.421 1.00 0.00 H new ATOM 0 HD13 LEU A 1 1.085 11.210 3.688 1.00 0.00 H new ATOM 0 HD21 LEU A 1 1.795 13.436 5.657 1.00 0.00 H new ATOM 0 HD22 LEU A 1 2.850 12.071 5.222 1.00 0.00 H new ATOM 0 HD23 LEU A 1 3.436 13.742 5.039 1.00 0.00 H new ATOM 22 N LYS A 2 6.205 12.020 2.981 1.00 0.00 N ATOM 23 CA LYS A 2 7.234 11.086 2.670 1.00 0.00 C ATOM 24 C LYS A 2 6.799 9.695 3.114 1.00 0.00 C ATOM 25 O LYS A 2 6.595 9.458 4.294 1.00 0.00 O ATOM 26 CB LYS A 2 8.588 11.531 3.265 1.00 0.00 C ATOM 27 CG LYS A 2 8.580 11.853 4.763 1.00 0.00 C ATOM 28 CD LYS A 2 9.930 12.409 5.202 1.00 0.00 C ATOM 29 CE LYS A 2 9.957 12.797 6.680 1.00 0.00 C ATOM 30 NZ LYS A 2 9.793 11.636 7.581 1.00 0.00 N ATOM 0 H LYS A 2 6.090 12.202 3.978 1.00 0.00 H new ATOM 0 HA LYS A 2 7.392 11.049 1.592 1.00 0.00 H new ATOM 0 HB2 LYS A 2 9.320 10.743 3.085 1.00 0.00 H new ATOM 0 HB3 LYS A 2 8.930 12.413 2.724 1.00 0.00 H new ATOM 0 HG2 LYS A 2 7.795 12.577 4.980 1.00 0.00 H new ATOM 0 HG3 LYS A 2 8.349 10.953 5.332 1.00 0.00 H new ATOM 0 HD2 LYS A 2 10.704 11.665 5.012 1.00 0.00 H new ATOM 0 HD3 LYS A 2 10.172 13.283 4.597 1.00 0.00 H new ATOM 0 HE2 LYS A 2 10.901 13.294 6.903 1.00 0.00 H new ATOM 0 HE3 LYS A 2 9.163 13.518 6.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 10.378 11.770 8.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 8.794 11.550 7.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 10.091 10.770 7.089 1.00 0.00 H new ATOM 44 N CYS A 3 6.625 8.804 2.174 1.00 0.00 N ATOM 45 CA CYS A 3 6.094 7.480 2.462 1.00 0.00 C ATOM 46 C CYS A 3 6.809 6.396 1.666 1.00 0.00 C ATOM 47 O CYS A 3 7.559 6.689 0.713 1.00 0.00 O ATOM 48 CB CYS A 3 4.567 7.438 2.255 1.00 0.00 C ATOM 49 SG CYS A 3 3.633 8.499 3.423 1.00 0.00 S ATOM 0 H CYS A 3 6.843 8.965 1.191 1.00 0.00 H new ATOM 0 HA CYS A 3 6.286 7.270 3.514 1.00 0.00 H new ATOM 0 HB2 CYS A 3 4.339 7.748 1.235 1.00 0.00 H new ATOM 0 HB3 CYS A 3 4.224 6.409 2.359 1.00 0.00 H new ATOM 54 N PHE A 4 6.616 5.151 2.073 1.00 0.00 N ATOM 55 CA PHE A 4 7.292 4.021 1.464 1.00 0.00 C ATOM 56 C PHE A 4 6.670 3.698 0.110 1.00 0.00 C ATOM 57 O PHE A 4 5.729 2.943 0.041 1.00 0.00 O ATOM 58 CB PHE A 4 7.199 2.779 2.374 1.00 0.00 C ATOM 59 CG PHE A 4 7.796 2.947 3.748 1.00 0.00 C ATOM 60 CD1 PHE A 4 9.133 2.702 3.958 1.00 0.00 C ATOM 61 CD2 PHE A 4 7.014 3.328 4.830 1.00 0.00 C ATOM 62 CE1 PHE A 4 9.691 2.830 5.210 1.00 0.00 C ATOM 63 CE2 PHE A 4 7.567 3.463 6.083 1.00 0.00 C ATOM 64 CZ PHE A 4 8.907 3.213 6.275 1.00 0.00 C ATOM 0 H PHE A 4 5.986 4.898 2.834 1.00 0.00 H new ATOM 0 HA PHE A 4 8.340 4.288 1.328 1.00 0.00 H new ATOM 0 HB2 PHE A 4 6.150 2.505 2.482 1.00 0.00 H new ATOM 0 HB3 PHE A 4 7.697 1.946 1.878 1.00 0.00 H new ATOM 0 HD1 PHE A 4 9.755 2.404 3.127 1.00 0.00 H new ATOM 0 HD2 PHE A 4 5.961 3.520 4.687 1.00 0.00 H new ATOM 0 HE1 PHE A 4 10.742 2.630 5.357 1.00 0.00 H new ATOM 0 HE2 PHE A 4 6.949 3.765 6.916 1.00 0.00 H new ATOM 0 HZ PHE A 4 9.342 3.317 7.258 1.00 0.00 H new ATOM 74 N GLN A 5 7.130 4.338 -0.942 1.00 0.00 N ATOM 75 CA GLN A 5 6.572 4.062 -2.274 1.00 0.00 C ATOM 76 C GLN A 5 7.250 2.848 -2.939 1.00 0.00 C ATOM 77 O GLN A 5 6.598 2.007 -3.557 1.00 0.00 O ATOM 78 CB GLN A 5 6.653 5.288 -3.174 1.00 0.00 C ATOM 79 CG GLN A 5 5.949 5.126 -4.516 1.00 0.00 C ATOM 80 CD GLN A 5 6.120 6.318 -5.443 1.00 0.00 C ATOM 81 OE1 GLN A 5 7.267 6.946 -5.410 1.00 0.00 O flip ATOM 82 NE2 GLN A 5 5.234 6.632 -6.225 1.00 0.00 N flip ATOM 0 H GLN A 5 7.871 5.039 -0.919 1.00 0.00 H new ATOM 0 HA GLN A 5 5.520 3.815 -2.134 1.00 0.00 H new ATOM 0 HB2 GLN A 5 6.219 6.139 -2.649 1.00 0.00 H new ATOM 0 HB3 GLN A 5 7.702 5.525 -3.353 1.00 0.00 H new ATOM 0 HG2 GLN A 5 6.331 4.234 -5.012 1.00 0.00 H new ATOM 0 HG3 GLN A 5 4.886 4.962 -4.341 1.00 0.00 H new ATOM 0 HE21 GLN A 5 4.350 6.122 -6.226 1.00 0.00 H new ATOM 0 HE22 GLN A 5 5.379 7.404 -6.876 1.00 0.00 H new ATOM 91 N HIS A 6 8.544 2.747 -2.819 1.00 0.00 N ATOM 92 CA HIS A 6 9.231 1.599 -3.407 1.00 0.00 C ATOM 93 C HIS A 6 9.570 0.601 -2.308 1.00 0.00 C ATOM 94 O HIS A 6 10.013 -0.527 -2.555 1.00 0.00 O ATOM 95 CB HIS A 6 10.493 2.048 -4.172 1.00 0.00 C ATOM 96 CG HIS A 6 11.141 0.967 -4.984 1.00 0.00 C ATOM 97 ND1 HIS A 6 12.473 0.637 -4.915 1.00 0.00 N ATOM 98 CD2 HIS A 6 10.602 0.150 -5.917 1.00 0.00 C ATOM 99 CE1 HIS A 6 12.706 -0.347 -5.780 1.00 0.00 C ATOM 100 NE2 HIS A 6 11.597 -0.684 -6.419 1.00 0.00 N ATOM 0 H HIS A 6 9.143 3.417 -2.337 1.00 0.00 H new ATOM 0 HA HIS A 6 8.574 1.114 -4.130 1.00 0.00 H new ATOM 0 HB2 HIS A 6 10.228 2.873 -4.833 1.00 0.00 H new ATOM 0 HB3 HIS A 6 11.219 2.433 -3.456 1.00 0.00 H new ATOM 0 HD2 HIS A 6 9.566 0.145 -6.223 1.00 0.00 H new ATOM 0 HE1 HIS A 6 13.670 -0.808 -5.939 1.00 0.00 H new ATOM 0 HE2 HIS A 6 11.493 -1.406 -7.132 1.00 0.00 H new ATOM 108 N GLY A 7 9.277 0.999 -1.110 1.00 0.00 N ATOM 109 CA GLY A 7 9.614 0.228 0.045 1.00 0.00 C ATOM 110 C GLY A 7 10.466 1.053 0.944 1.00 0.00 C ATOM 111 O GLY A 7 10.547 0.817 2.133 1.00 0.00 O ATOM 0 H GLY A 7 8.794 1.874 -0.904 1.00 0.00 H new ATOM 0 HA2 GLY A 7 8.709 -0.085 0.566 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.143 -0.679 -0.248 1.00 0.00 H new ATOM 115 N LYS A 8 11.113 2.017 0.350 1.00 0.00 N ATOM 116 CA LYS A 8 11.874 2.997 1.066 1.00 0.00 C ATOM 117 C LYS A 8 11.052 4.277 1.130 1.00 0.00 C ATOM 118 O LYS A 8 10.105 4.453 0.331 1.00 0.00 O ATOM 119 CB LYS A 8 13.208 3.257 0.361 1.00 0.00 C ATOM 120 CG LYS A 8 13.077 3.867 -1.027 1.00 0.00 C ATOM 121 CD LYS A 8 14.428 4.055 -1.678 1.00 0.00 C ATOM 122 CE LYS A 8 14.295 4.743 -3.016 1.00 0.00 C ATOM 123 NZ LYS A 8 15.594 4.893 -3.698 1.00 0.00 N ATOM 0 H LYS A 8 11.125 2.144 -0.662 1.00 0.00 H new ATOM 0 HA LYS A 8 12.093 2.639 2.072 1.00 0.00 H new ATOM 0 HB2 LYS A 8 13.809 3.922 0.981 1.00 0.00 H new ATOM 0 HB3 LYS A 8 13.752 2.316 0.281 1.00 0.00 H new ATOM 0 HG2 LYS A 8 12.457 3.224 -1.652 1.00 0.00 H new ATOM 0 HG3 LYS A 8 12.569 4.829 -0.957 1.00 0.00 H new ATOM 0 HD2 LYS A 8 15.071 4.645 -1.025 1.00 0.00 H new ATOM 0 HD3 LYS A 8 14.910 3.086 -1.810 1.00 0.00 H new ATOM 0 HE2 LYS A 8 13.618 4.172 -3.650 1.00 0.00 H new ATOM 0 HE3 LYS A 8 13.846 5.726 -2.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 15.453 5.370 -4.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 16.234 5.460 -3.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 16.012 3.954 -3.858 1.00 0.00 H new ATOM 137 N VAL A 9 11.392 5.147 2.043 1.00 0.00 N ATOM 138 CA VAL A 9 10.688 6.394 2.216 1.00 0.00 C ATOM 139 C VAL A 9 11.126 7.379 1.154 1.00 0.00 C ATOM 140 O VAL A 9 12.305 7.756 1.091 1.00 0.00 O ATOM 141 CB VAL A 9 10.957 7.018 3.603 1.00 0.00 C ATOM 142 CG1 VAL A 9 10.126 8.269 3.798 1.00 0.00 C ATOM 143 CG2 VAL A 9 10.699 6.030 4.712 1.00 0.00 C ATOM 0 H VAL A 9 12.168 5.012 2.691 1.00 0.00 H new ATOM 0 HA VAL A 9 9.622 6.181 2.131 1.00 0.00 H new ATOM 0 HB VAL A 9 12.011 7.293 3.643 1.00 0.00 H new ATOM 0 HG11 VAL A 9 10.331 8.692 4.781 1.00 0.00 H new ATOM 0 HG12 VAL A 9 10.380 8.998 3.029 1.00 0.00 H new ATOM 0 HG13 VAL A 9 9.068 8.018 3.724 1.00 0.00 H new ATOM 0 HG21 VAL A 9 10.898 6.502 5.674 1.00 0.00 H new ATOM 0 HG22 VAL A 9 9.659 5.706 4.676 1.00 0.00 H new ATOM 0 HG23 VAL A 9 11.353 5.167 4.590 1.00 0.00 H new ATOM 153 N VAL A 10 10.203 7.781 0.328 1.00 0.00 N ATOM 154 CA VAL A 10 10.473 8.735 -0.712 1.00 0.00 C ATOM 155 C VAL A 10 9.532 9.912 -0.555 1.00 0.00 C ATOM 156 O VAL A 10 8.443 9.777 0.034 1.00 0.00 O ATOM 157 CB VAL A 10 10.334 8.131 -2.136 1.00 0.00 C ATOM 158 CG1 VAL A 10 11.228 6.910 -2.296 1.00 0.00 C ATOM 159 CG2 VAL A 10 8.895 7.784 -2.453 1.00 0.00 C ATOM 0 H VAL A 10 9.237 7.455 0.356 1.00 0.00 H new ATOM 0 HA VAL A 10 11.510 9.054 -0.609 1.00 0.00 H new ATOM 0 HB VAL A 10 10.657 8.890 -2.848 1.00 0.00 H new ATOM 0 HG11 VAL A 10 11.113 6.504 -3.301 1.00 0.00 H new ATOM 0 HG12 VAL A 10 12.267 7.197 -2.137 1.00 0.00 H new ATOM 0 HG13 VAL A 10 10.944 6.153 -1.565 1.00 0.00 H new ATOM 0 HG21 VAL A 10 8.835 7.364 -3.457 1.00 0.00 H new ATOM 0 HG22 VAL A 10 8.529 7.053 -1.731 1.00 0.00 H new ATOM 0 HG23 VAL A 10 8.283 8.685 -2.399 1.00 0.00 H new ATOM 169 N THR A 11 9.954 11.051 -1.001 1.00 0.00 N ATOM 170 CA THR A 11 9.146 12.224 -0.919 1.00 0.00 C ATOM 171 C THR A 11 8.075 12.199 -2.028 1.00 0.00 C ATOM 172 O THR A 11 8.394 12.270 -3.222 1.00 0.00 O ATOM 173 CB THR A 11 10.028 13.471 -1.064 1.00 0.00 C ATOM 174 OG1 THR A 11 11.190 13.321 -0.207 1.00 0.00 O ATOM 175 CG2 THR A 11 9.258 14.712 -0.644 1.00 0.00 C ATOM 0 H THR A 11 10.867 11.194 -1.432 1.00 0.00 H new ATOM 0 HA THR A 11 8.649 12.253 0.051 1.00 0.00 H new ATOM 0 HB THR A 11 10.332 13.579 -2.105 1.00 0.00 H new ATOM 0 HG1 THR A 11 11.763 14.111 -0.292 1.00 0.00 H new ATOM 0 HG21 THR A 11 9.895 15.590 -0.752 1.00 0.00 H new ATOM 0 HG22 THR A 11 8.376 14.824 -1.275 1.00 0.00 H new ATOM 0 HG23 THR A 11 8.949 14.614 0.397 1.00 0.00 H new ATOM 183 N CYS A 12 6.838 12.055 -1.630 1.00 0.00 N ATOM 184 CA CYS A 12 5.720 12.044 -2.539 1.00 0.00 C ATOM 185 C CYS A 12 5.359 13.493 -2.903 1.00 0.00 C ATOM 186 O CYS A 12 5.660 14.420 -2.136 1.00 0.00 O ATOM 187 CB CYS A 12 4.566 11.247 -1.901 1.00 0.00 C ATOM 188 SG CYS A 12 5.081 9.518 -1.507 1.00 0.00 S ATOM 0 H CYS A 12 6.574 11.940 -0.651 1.00 0.00 H new ATOM 0 HA CYS A 12 5.961 11.542 -3.476 1.00 0.00 H new ATOM 0 HB2 CYS A 12 4.236 11.747 -0.990 1.00 0.00 H new ATOM 0 HB3 CYS A 12 3.714 11.229 -2.581 1.00 0.00 H new ATOM 193 N HIS A 13 4.783 13.697 -4.083 1.00 0.00 N ATOM 194 CA HIS A 13 4.530 15.049 -4.597 1.00 0.00 C ATOM 195 C HIS A 13 3.342 15.690 -3.871 1.00 0.00 C ATOM 196 O HIS A 13 2.589 14.996 -3.202 1.00 0.00 O ATOM 197 CB HIS A 13 4.270 14.979 -6.116 1.00 0.00 C ATOM 198 CG HIS A 13 4.499 16.266 -6.860 1.00 0.00 C ATOM 199 ND1 HIS A 13 3.510 16.993 -7.468 1.00 0.00 N ATOM 200 CD2 HIS A 13 5.651 16.940 -7.101 1.00 0.00 C ATOM 201 CE1 HIS A 13 4.060 18.058 -8.038 1.00 0.00 C ATOM 202 NE2 HIS A 13 5.363 18.080 -7.848 1.00 0.00 N ATOM 0 H HIS A 13 4.481 12.947 -4.705 1.00 0.00 H new ATOM 0 HA HIS A 13 5.406 15.671 -4.414 1.00 0.00 H new ATOM 0 HB2 HIS A 13 4.913 14.210 -6.544 1.00 0.00 H new ATOM 0 HB3 HIS A 13 3.240 14.661 -6.279 1.00 0.00 H new ATOM 0 HD1 HIS A 13 2.518 16.756 -7.481 1.00 0.00 H new ATOM 0 HD2 HIS A 13 6.634 16.641 -6.767 1.00 0.00 H new ATOM 0 HE1 HIS A 13 3.510 18.809 -8.586 1.00 0.00 H new ATOM 210 N ARG A 14 3.181 17.005 -4.045 1.00 0.00 N ATOM 211 CA ARG A 14 2.113 17.823 -3.414 1.00 0.00 C ATOM 212 C ARG A 14 0.710 17.253 -3.660 1.00 0.00 C ATOM 213 O ARG A 14 -0.213 17.465 -2.860 1.00 0.00 O ATOM 214 CB ARG A 14 2.144 19.258 -3.966 1.00 0.00 C ATOM 215 CG ARG A 14 1.839 19.333 -5.458 1.00 0.00 C ATOM 216 CD ARG A 14 1.734 20.750 -5.968 1.00 0.00 C ATOM 217 NE ARG A 14 1.347 20.767 -7.389 1.00 0.00 N ATOM 218 CZ ARG A 14 0.980 21.854 -8.078 1.00 0.00 C ATOM 219 NH1 ARG A 14 0.926 23.041 -7.486 1.00 0.00 N ATOM 220 NH2 ARG A 14 0.646 21.740 -9.354 1.00 0.00 N ATOM 0 H ARG A 14 3.800 17.554 -4.642 1.00 0.00 H new ATOM 0 HA ARG A 14 2.312 17.810 -2.342 1.00 0.00 H new ATOM 0 HB2 ARG A 14 1.420 19.865 -3.423 1.00 0.00 H new ATOM 0 HB3 ARG A 14 3.127 19.691 -3.780 1.00 0.00 H new ATOM 0 HG2 ARG A 14 2.621 18.811 -6.010 1.00 0.00 H new ATOM 0 HG3 ARG A 14 0.904 18.810 -5.659 1.00 0.00 H new ATOM 0 HD2 ARG A 14 0.999 21.300 -5.380 1.00 0.00 H new ATOM 0 HD3 ARG A 14 2.689 21.259 -5.841 1.00 0.00 H new ATOM 0 HE ARG A 14 1.360 19.878 -7.889 1.00 0.00 H new ATOM 0 HH11 ARG A 14 1.165 23.130 -6.498 1.00 0.00 H new ATOM 0 HH12 ARG A 14 0.645 23.864 -8.019 1.00 0.00 H new ATOM 0 HH21 ARG A 14 0.669 20.827 -9.808 1.00 0.00 H new ATOM 0 HH22 ARG A 14 0.366 22.565 -9.883 1.00 0.00 H new ATOM 234 N ASP A 15 0.550 16.544 -4.773 1.00 0.00 N ATOM 235 CA ASP A 15 -0.745 15.987 -5.152 1.00 0.00 C ATOM 236 C ASP A 15 -1.088 14.884 -4.191 1.00 0.00 C ATOM 237 O ASP A 15 -2.242 14.671 -3.842 1.00 0.00 O ATOM 238 CB ASP A 15 -0.701 15.391 -6.572 1.00 0.00 C ATOM 239 CG ASP A 15 -0.222 16.352 -7.630 1.00 0.00 C ATOM 240 OD1 ASP A 15 1.001 16.453 -7.840 1.00 0.00 O ATOM 241 OD2 ASP A 15 -1.035 17.002 -8.282 1.00 0.00 O ATOM 0 H ASP A 15 1.303 16.341 -5.430 1.00 0.00 H new ATOM 0 HA ASP A 15 -1.487 16.785 -5.128 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -0.048 14.518 -6.568 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -1.699 15.042 -6.839 1.00 0.00 H new ATOM 246 N MET A 16 -0.057 14.241 -3.715 1.00 0.00 N ATOM 247 CA MET A 16 -0.158 13.101 -2.869 1.00 0.00 C ATOM 248 C MET A 16 -0.270 13.498 -1.430 1.00 0.00 C ATOM 249 O MET A 16 0.711 13.840 -0.780 1.00 0.00 O ATOM 250 CB MET A 16 1.020 12.152 -3.106 1.00 0.00 C ATOM 251 CG MET A 16 0.909 11.382 -4.388 1.00 0.00 C ATOM 252 SD MET A 16 1.077 12.383 -5.858 1.00 0.00 S ATOM 253 CE MET A 16 0.232 11.307 -6.980 1.00 0.00 C ATOM 0 H MET A 16 0.905 14.512 -3.917 1.00 0.00 H new ATOM 0 HA MET A 16 -1.074 12.567 -3.123 1.00 0.00 H new ATOM 0 HB2 MET A 16 1.946 12.727 -3.114 1.00 0.00 H new ATOM 0 HB3 MET A 16 1.087 11.452 -2.274 1.00 0.00 H new ATOM 0 HG2 MET A 16 1.674 10.606 -4.401 1.00 0.00 H new ATOM 0 HG3 MET A 16 -0.057 10.877 -4.414 1.00 0.00 H new ATOM 0 HE1 MET A 16 0.223 11.753 -7.975 1.00 0.00 H new ATOM 0 HE2 MET A 16 0.744 10.346 -7.018 1.00 0.00 H new ATOM 0 HE3 MET A 16 -0.793 11.159 -6.640 1.00 0.00 H new ATOM 263 N LYS A 17 -1.473 13.456 -0.942 1.00 0.00 N ATOM 264 CA LYS A 17 -1.774 13.842 0.412 1.00 0.00 C ATOM 265 C LYS A 17 -2.169 12.629 1.235 1.00 0.00 C ATOM 266 O LYS A 17 -2.418 12.731 2.442 1.00 0.00 O ATOM 267 CB LYS A 17 -2.903 14.871 0.399 1.00 0.00 C ATOM 268 CG LYS A 17 -2.541 16.161 -0.318 1.00 0.00 C ATOM 269 CD LYS A 17 -3.709 17.125 -0.366 1.00 0.00 C ATOM 270 CE LYS A 17 -3.336 18.420 -1.082 1.00 0.00 C ATOM 271 NZ LYS A 17 -2.859 18.178 -2.460 1.00 0.00 N ATOM 0 H LYS A 17 -2.286 13.150 -1.476 1.00 0.00 H new ATOM 0 HA LYS A 17 -0.888 14.283 0.868 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -3.778 14.432 -0.080 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -3.184 15.103 1.426 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -1.700 16.634 0.188 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -2.215 15.934 -1.333 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -4.549 16.655 -0.877 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -4.038 17.351 0.648 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -4.203 19.080 -1.110 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -2.560 18.936 -0.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -2.986 19.040 -3.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -1.851 17.923 -2.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -3.404 17.400 -2.884 1.00 0.00 H new ATOM 285 N PHE A 18 -2.241 11.486 0.578 1.00 0.00 N ATOM 286 CA PHE A 18 -2.627 10.256 1.225 1.00 0.00 C ATOM 287 C PHE A 18 -1.691 9.153 0.798 1.00 0.00 C ATOM 288 O PHE A 18 -1.518 8.910 -0.392 1.00 0.00 O ATOM 289 CB PHE A 18 -4.086 9.884 0.871 1.00 0.00 C ATOM 290 CG PHE A 18 -5.088 10.932 1.277 1.00 0.00 C ATOM 291 CD1 PHE A 18 -5.642 10.925 2.543 1.00 0.00 C ATOM 292 CD2 PHE A 18 -5.450 11.943 0.397 1.00 0.00 C ATOM 293 CE1 PHE A 18 -6.534 11.902 2.926 1.00 0.00 C ATOM 294 CE2 PHE A 18 -6.342 12.921 0.769 1.00 0.00 C ATOM 295 CZ PHE A 18 -6.885 12.906 2.038 1.00 0.00 C ATOM 0 H PHE A 18 -2.033 11.389 -0.416 1.00 0.00 H new ATOM 0 HA PHE A 18 -2.565 10.390 2.305 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -4.160 9.719 -0.204 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -4.340 8.942 1.356 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -5.373 10.145 3.240 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -5.024 11.962 -0.595 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -6.960 11.886 3.918 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -6.617 13.698 0.071 1.00 0.00 H new ATOM 0 HZ PHE A 18 -7.582 13.675 2.338 1.00 0.00 H new ATOM 305 N CYS A 19 -1.087 8.515 1.733 1.00 0.00 N ATOM 306 CA CYS A 19 -0.204 7.419 1.455 1.00 0.00 C ATOM 307 C CYS A 19 -1.006 6.143 1.544 1.00 0.00 C ATOM 308 O CYS A 19 -1.896 6.025 2.405 1.00 0.00 O ATOM 309 CB CYS A 19 0.959 7.414 2.448 1.00 0.00 C ATOM 310 SG CYS A 19 1.926 8.964 2.437 1.00 0.00 S ATOM 0 H CYS A 19 -1.186 8.733 2.725 1.00 0.00 H new ATOM 0 HA CYS A 19 0.223 7.513 0.457 1.00 0.00 H new ATOM 0 HB2 CYS A 19 0.570 7.244 3.452 1.00 0.00 H new ATOM 0 HB3 CYS A 19 1.621 6.579 2.217 1.00 0.00 H new ATOM 315 N TYR A 20 -0.752 5.211 0.664 1.00 0.00 N ATOM 316 CA TYR A 20 -1.510 3.998 0.663 1.00 0.00 C ATOM 317 C TYR A 20 -0.632 2.795 0.840 1.00 0.00 C ATOM 318 O TYR A 20 0.539 2.782 0.427 1.00 0.00 O ATOM 319 CB TYR A 20 -2.427 3.852 -0.584 1.00 0.00 C ATOM 320 CG TYR A 20 -1.735 3.780 -1.947 1.00 0.00 C ATOM 321 CD1 TYR A 20 -1.248 2.577 -2.457 1.00 0.00 C ATOM 322 CD2 TYR A 20 -1.593 4.909 -2.722 1.00 0.00 C ATOM 323 CE1 TYR A 20 -0.637 2.520 -3.700 1.00 0.00 C ATOM 324 CE2 TYR A 20 -0.986 4.860 -3.964 1.00 0.00 C ATOM 325 CZ TYR A 20 -0.510 3.672 -4.447 1.00 0.00 C ATOM 326 OH TYR A 20 0.110 3.641 -5.676 1.00 0.00 O ATOM 0 H TYR A 20 -0.031 5.271 -0.055 1.00 0.00 H new ATOM 0 HA TYR A 20 -2.173 4.059 1.526 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -3.027 2.951 -0.460 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -3.117 4.695 -0.598 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -1.349 1.674 -1.873 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -1.964 5.854 -2.352 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -0.263 1.581 -4.080 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -0.888 5.760 -4.553 1.00 0.00 H new ATOM 0 HH TYR A 20 0.111 4.541 -6.065 1.00 0.00 H new ATOM 336 N HIS A 21 -1.184 1.824 1.470 1.00 0.00 N ATOM 337 CA HIS A 21 -0.558 0.570 1.690 1.00 0.00 C ATOM 338 C HIS A 21 -1.575 -0.500 1.398 1.00 0.00 C ATOM 339 O HIS A 21 -2.488 -0.744 2.195 1.00 0.00 O ATOM 340 CB HIS A 21 -0.065 0.475 3.158 1.00 0.00 C ATOM 341 CG HIS A 21 0.567 -0.838 3.576 1.00 0.00 C ATOM 342 ND1 HIS A 21 1.123 -1.839 2.843 1.00 0.00 N flip ATOM 343 CD2 HIS A 21 0.697 -1.223 4.889 1.00 0.00 C flip ATOM 344 CE1 HIS A 21 1.589 -2.830 3.705 1.00 0.00 C flip ATOM 345 NE2 HIS A 21 1.305 -2.401 4.926 1.00 0.00 N flip ATOM 0 H HIS A 21 -2.123 1.882 1.863 1.00 0.00 H new ATOM 0 HA HIS A 21 0.310 0.449 1.042 1.00 0.00 H new ATOM 0 HB2 HIS A 21 0.660 1.271 3.327 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -0.912 0.670 3.816 1.00 0.00 H new ATOM 0 HD2 HIS A 21 0.360 -0.660 5.747 1.00 0.00 H new ATOM 0 HE1 HIS A 21 2.079 -3.754 3.435 1.00 0.00 H new ATOM 0 HE2 HIS A 21 1.525 -2.910 5.782 1.00 0.00 H new ATOM 353 N ASN A 22 -1.468 -1.090 0.251 1.00 0.00 N ATOM 354 CA ASN A 22 -2.318 -2.193 -0.084 1.00 0.00 C ATOM 355 C ASN A 22 -1.676 -3.395 0.519 1.00 0.00 C ATOM 356 O ASN A 22 -0.489 -3.650 0.277 1.00 0.00 O ATOM 357 CB ASN A 22 -2.448 -2.381 -1.594 1.00 0.00 C ATOM 358 CG ASN A 22 -3.537 -3.384 -1.980 1.00 0.00 C ATOM 359 OD1 ASN A 22 -3.308 -4.584 -2.011 1.00 0.00 O ATOM 360 ND2 ASN A 22 -4.712 -2.896 -2.313 1.00 0.00 N ATOM 0 H ASN A 22 -0.799 -0.828 -0.473 1.00 0.00 H new ATOM 0 HA ASN A 22 -3.327 -2.022 0.292 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -2.667 -1.419 -2.057 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -1.493 -2.718 -1.996 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -5.460 -3.524 -2.607 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -4.875 -1.890 -2.278 1.00 0.00 H new ATOM 367 N THR A 23 -2.424 -4.114 1.303 1.00 0.00 N ATOM 368 CA THR A 23 -1.900 -5.244 2.039 1.00 0.00 C ATOM 369 C THR A 23 -1.592 -6.427 1.120 1.00 0.00 C ATOM 370 O THR A 23 -0.899 -7.378 1.507 1.00 0.00 O ATOM 371 CB THR A 23 -2.879 -5.656 3.151 1.00 0.00 C ATOM 372 OG1 THR A 23 -4.174 -5.931 2.580 1.00 0.00 O ATOM 373 CG2 THR A 23 -3.013 -4.541 4.177 1.00 0.00 C ATOM 0 H THR A 23 -3.417 -3.939 1.456 1.00 0.00 H new ATOM 0 HA THR A 23 -0.959 -4.937 2.495 1.00 0.00 H new ATOM 0 HB THR A 23 -2.493 -6.550 3.642 1.00 0.00 H new ATOM 0 HG1 THR A 23 -4.579 -5.094 2.270 1.00 0.00 H new ATOM 0 HG21 THR A 23 -3.709 -4.847 4.958 1.00 0.00 H new ATOM 0 HG22 THR A 23 -2.039 -4.335 4.620 1.00 0.00 H new ATOM 0 HG23 THR A 23 -3.388 -3.641 3.689 1.00 0.00 H new ATOM 381 N GLY A 24 -2.097 -6.351 -0.091 1.00 0.00 N ATOM 382 CA GLY A 24 -1.876 -7.371 -1.058 1.00 0.00 C ATOM 383 C GLY A 24 -2.805 -8.526 -0.867 1.00 0.00 C ATOM 384 O GLY A 24 -3.745 -8.455 -0.069 1.00 0.00 O ATOM 0 H GLY A 24 -2.671 -5.575 -0.421 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -2.009 -6.959 -2.058 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -0.845 -7.719 -0.991 1.00 0.00 H new ATOM 388 N MET A 25 -2.583 -9.553 -1.619 1.00 0.00 N ATOM 389 CA MET A 25 -3.324 -10.771 -1.526 1.00 0.00 C ATOM 390 C MET A 25 -2.302 -11.887 -1.543 1.00 0.00 C ATOM 391 O MET A 25 -1.655 -12.117 -2.568 1.00 0.00 O ATOM 392 CB MET A 25 -4.311 -10.900 -2.699 1.00 0.00 C ATOM 393 CG MET A 25 -5.368 -9.796 -2.743 1.00 0.00 C ATOM 394 SD MET A 25 -6.534 -9.948 -4.117 1.00 0.00 S ATOM 395 CE MET A 25 -7.390 -11.461 -3.686 1.00 0.00 C ATOM 0 H MET A 25 -1.859 -9.570 -2.338 1.00 0.00 H new ATOM 0 HA MET A 25 -3.923 -10.805 -0.616 1.00 0.00 H new ATOM 0 HB2 MET A 25 -3.752 -10.891 -3.634 1.00 0.00 H new ATOM 0 HB3 MET A 25 -4.811 -11.866 -2.636 1.00 0.00 H new ATOM 0 HG2 MET A 25 -5.924 -9.802 -1.806 1.00 0.00 H new ATOM 0 HG3 MET A 25 -4.867 -8.830 -2.810 1.00 0.00 H new ATOM 0 HE1 MET A 25 -8.292 -11.554 -4.291 1.00 0.00 H new ATOM 0 HE2 MET A 25 -6.738 -12.314 -3.873 1.00 0.00 H new ATOM 0 HE3 MET A 25 -7.662 -11.437 -2.631 1.00 0.00 H new ATOM 405 N PRO A 26 -2.087 -12.545 -0.400 1.00 0.00 N ATOM 406 CA PRO A 26 -1.034 -13.538 -0.254 1.00 0.00 C ATOM 407 C PRO A 26 -1.258 -14.827 -1.045 1.00 0.00 C ATOM 408 O PRO A 26 -2.153 -15.643 -0.739 1.00 0.00 O ATOM 409 CB PRO A 26 -0.976 -13.811 1.251 1.00 0.00 C ATOM 410 CG PRO A 26 -2.322 -13.439 1.763 1.00 0.00 C ATOM 411 CD PRO A 26 -2.852 -12.364 0.853 1.00 0.00 C ATOM 0 HA PRO A 26 -0.099 -13.157 -0.665 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -0.753 -14.858 1.454 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -0.195 -13.220 1.729 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -2.986 -14.303 1.768 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -2.259 -13.080 2.790 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -3.923 -12.475 0.686 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -2.697 -11.371 1.275 1.00 0.00 H new ATOM 419 N PHE A 27 -0.467 -14.974 -2.077 1.00 0.00 N ATOM 420 CA PHE A 27 -0.415 -16.158 -2.894 1.00 0.00 C ATOM 421 C PHE A 27 1.043 -16.528 -3.053 1.00 0.00 C ATOM 422 O PHE A 27 1.897 -15.632 -3.090 1.00 0.00 O ATOM 423 CB PHE A 27 -1.069 -15.940 -4.266 1.00 0.00 C ATOM 424 CG PHE A 27 -2.561 -15.728 -4.231 1.00 0.00 C ATOM 425 CD1 PHE A 27 -3.422 -16.804 -4.076 1.00 0.00 C ATOM 426 CD2 PHE A 27 -3.103 -14.462 -4.371 1.00 0.00 C ATOM 427 CE1 PHE A 27 -4.791 -16.619 -4.062 1.00 0.00 C ATOM 428 CE2 PHE A 27 -4.469 -14.271 -4.355 1.00 0.00 C ATOM 429 CZ PHE A 27 -5.315 -15.350 -4.202 1.00 0.00 C ATOM 0 H PHE A 27 0.181 -14.247 -2.381 1.00 0.00 H new ATOM 0 HA PHE A 27 -0.974 -16.961 -2.413 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -0.605 -15.075 -4.740 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -0.854 -16.803 -4.896 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -3.017 -17.799 -3.965 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -2.448 -13.612 -4.494 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -5.450 -17.466 -3.942 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -4.876 -13.277 -4.462 1.00 0.00 H new ATOM 0 HZ PHE A 27 -6.385 -15.202 -4.192 1.00 0.00 H new ATOM 439 N ARG A 28 1.338 -17.817 -3.082 1.00 0.00 N ATOM 440 CA ARG A 28 2.715 -18.308 -3.184 1.00 0.00 C ATOM 441 C ARG A 28 3.467 -17.679 -4.364 1.00 0.00 C ATOM 442 O ARG A 28 3.021 -17.746 -5.508 1.00 0.00 O ATOM 443 CB ARG A 28 2.769 -19.853 -3.235 1.00 0.00 C ATOM 444 CG ARG A 28 1.934 -20.491 -4.342 1.00 0.00 C ATOM 445 CD ARG A 28 2.091 -22.007 -4.369 1.00 0.00 C ATOM 446 NE ARG A 28 1.704 -22.655 -3.105 1.00 0.00 N ATOM 447 CZ ARG A 28 1.722 -23.980 -2.888 1.00 0.00 C ATOM 448 NH1 ARG A 28 2.128 -24.811 -3.841 1.00 0.00 N ATOM 449 NH2 ARG A 28 1.349 -24.466 -1.710 1.00 0.00 N ATOM 0 H ARG A 28 0.637 -18.556 -3.036 1.00 0.00 H new ATOM 0 HA ARG A 28 3.229 -17.993 -2.276 1.00 0.00 H new ATOM 0 HB2 ARG A 28 3.807 -20.161 -3.360 1.00 0.00 H new ATOM 0 HB3 ARG A 28 2.433 -20.245 -2.275 1.00 0.00 H new ATOM 0 HG2 ARG A 28 0.884 -20.237 -4.197 1.00 0.00 H new ATOM 0 HG3 ARG A 28 2.232 -20.078 -5.306 1.00 0.00 H new ATOM 0 HD2 ARG A 28 1.485 -22.414 -5.178 1.00 0.00 H new ATOM 0 HD3 ARG A 28 3.129 -22.254 -4.593 1.00 0.00 H new ATOM 0 HE ARG A 28 1.400 -22.054 -2.339 1.00 0.00 H new ATOM 0 HH11 ARG A 28 2.428 -24.444 -4.744 1.00 0.00 H new ATOM 0 HH12 ARG A 28 2.139 -25.817 -3.670 1.00 0.00 H new ATOM 0 HH21 ARG A 28 1.048 -23.833 -0.969 1.00 0.00 H new ATOM 0 HH22 ARG A 28 1.363 -25.473 -1.546 1.00 0.00 H new ATOM 463 N ASN A 29 4.566 -17.005 -4.036 1.00 0.00 N ATOM 464 CA ASN A 29 5.454 -16.308 -4.987 1.00 0.00 C ATOM 465 C ASN A 29 4.820 -15.067 -5.587 1.00 0.00 C ATOM 466 O ASN A 29 5.359 -14.458 -6.522 1.00 0.00 O ATOM 467 CB ASN A 29 6.020 -17.236 -6.074 1.00 0.00 C ATOM 468 CG ASN A 29 6.997 -18.251 -5.519 1.00 0.00 C ATOM 469 OD1 ASN A 29 6.611 -19.357 -5.136 1.00 0.00 O ATOM 470 ND2 ASN A 29 8.255 -17.890 -5.452 1.00 0.00 N ATOM 0 H ASN A 29 4.881 -16.921 -3.070 1.00 0.00 H new ATOM 0 HA ASN A 29 6.302 -15.972 -4.390 1.00 0.00 H new ATOM 0 HB2 ASN A 29 5.199 -17.758 -6.565 1.00 0.00 H new ATOM 0 HB3 ASN A 29 6.518 -16.636 -6.836 1.00 0.00 H new ATOM 0 HD21 ASN A 29 8.951 -18.533 -5.073 1.00 0.00 H new ATOM 0 HD22 ASN A 29 8.539 -16.966 -5.779 1.00 0.00 H new ATOM 477 N LEU A 30 3.698 -14.669 -5.053 1.00 0.00 N ATOM 478 CA LEU A 30 3.064 -13.465 -5.478 1.00 0.00 C ATOM 479 C LEU A 30 3.095 -12.477 -4.336 1.00 0.00 C ATOM 480 O LEU A 30 2.207 -12.451 -3.475 1.00 0.00 O ATOM 481 CB LEU A 30 1.629 -13.709 -5.971 1.00 0.00 C ATOM 482 CG LEU A 30 0.880 -12.478 -6.517 1.00 0.00 C ATOM 483 CD1 LEU A 30 1.595 -11.892 -7.729 1.00 0.00 C ATOM 484 CD2 LEU A 30 -0.554 -12.838 -6.869 1.00 0.00 C ATOM 0 H LEU A 30 3.205 -15.172 -4.315 1.00 0.00 H new ATOM 0 HA LEU A 30 3.609 -13.059 -6.331 1.00 0.00 H new ATOM 0 HB2 LEU A 30 1.660 -14.467 -6.754 1.00 0.00 H new ATOM 0 HB3 LEU A 30 1.050 -14.125 -5.147 1.00 0.00 H new ATOM 0 HG LEU A 30 0.866 -11.720 -5.734 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.044 -11.025 -8.093 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.603 -11.588 -7.445 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.651 -12.643 -8.517 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.067 -11.956 -7.253 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.557 -13.619 -7.629 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -1.068 -13.197 -5.978 1.00 0.00 H new ATOM 496 N LYS A 31 4.160 -11.730 -4.284 1.00 0.00 N ATOM 497 CA LYS A 31 4.340 -10.729 -3.283 1.00 0.00 C ATOM 498 C LYS A 31 3.669 -9.469 -3.773 1.00 0.00 C ATOM 499 O LYS A 31 4.291 -8.635 -4.432 1.00 0.00 O ATOM 500 CB LYS A 31 5.846 -10.496 -3.028 1.00 0.00 C ATOM 501 CG LYS A 31 6.186 -9.460 -1.946 1.00 0.00 C ATOM 502 CD LYS A 31 5.690 -9.868 -0.564 1.00 0.00 C ATOM 503 CE LYS A 31 6.327 -11.167 -0.080 1.00 0.00 C ATOM 504 NZ LYS A 31 5.863 -11.547 1.273 1.00 0.00 N ATOM 0 H LYS A 31 4.934 -11.803 -4.944 1.00 0.00 H new ATOM 0 HA LYS A 31 3.896 -11.041 -2.337 1.00 0.00 H new ATOM 0 HB2 LYS A 31 6.300 -11.447 -2.750 1.00 0.00 H new ATOM 0 HB3 LYS A 31 6.310 -10.183 -3.963 1.00 0.00 H new ATOM 0 HG2 LYS A 31 7.266 -9.317 -1.912 1.00 0.00 H new ATOM 0 HG3 LYS A 31 5.746 -8.500 -2.217 1.00 0.00 H new ATOM 0 HD2 LYS A 31 5.908 -9.072 0.148 1.00 0.00 H new ATOM 0 HD3 LYS A 31 4.607 -9.985 -0.589 1.00 0.00 H new ATOM 0 HE2 LYS A 31 6.092 -11.968 -0.781 1.00 0.00 H new ATOM 0 HE3 LYS A 31 7.411 -11.057 -0.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 6.322 -12.435 1.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 6.109 -10.795 1.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 4.831 -11.678 1.262 1.00 0.00 H new ATOM 518 N LEU A 32 2.383 -9.388 -3.559 1.00 0.00 N ATOM 519 CA LEU A 32 1.638 -8.250 -4.015 1.00 0.00 C ATOM 520 C LEU A 32 1.761 -7.134 -3.008 1.00 0.00 C ATOM 521 O LEU A 32 1.201 -7.203 -1.912 1.00 0.00 O ATOM 522 CB LEU A 32 0.166 -8.620 -4.248 1.00 0.00 C ATOM 523 CG LEU A 32 -0.750 -7.488 -4.743 1.00 0.00 C ATOM 524 CD1 LEU A 32 -0.273 -6.945 -6.082 1.00 0.00 C ATOM 525 CD2 LEU A 32 -2.185 -7.972 -4.843 1.00 0.00 C ATOM 0 H LEU A 32 1.832 -10.096 -3.073 1.00 0.00 H new ATOM 0 HA LEU A 32 2.047 -7.914 -4.968 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.128 -9.433 -4.973 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.242 -9.007 -3.314 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.708 -6.676 -4.017 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -0.939 -6.146 -6.409 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.739 -6.554 -5.976 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.277 -7.746 -6.822 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.820 -7.159 -5.195 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.240 -8.805 -5.544 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.527 -8.301 -3.862 1.00 0.00 H new ATOM 537 N ILE A 33 2.542 -6.163 -3.356 1.00 0.00 N ATOM 538 CA ILE A 33 2.753 -5.007 -2.547 1.00 0.00 C ATOM 539 C ILE A 33 2.457 -3.745 -3.319 1.00 0.00 C ATOM 540 O ILE A 33 3.055 -3.496 -4.371 1.00 0.00 O ATOM 541 CB ILE A 33 4.184 -4.986 -1.913 1.00 0.00 C ATOM 542 CG1 ILE A 33 4.222 -5.830 -0.639 1.00 0.00 C ATOM 543 CG2 ILE A 33 4.691 -3.575 -1.636 1.00 0.00 C ATOM 544 CD1 ILE A 33 3.306 -5.302 0.465 1.00 0.00 C ATOM 0 H ILE A 33 3.064 -6.152 -4.232 1.00 0.00 H new ATOM 0 HA ILE A 33 2.050 -5.056 -1.716 1.00 0.00 H new ATOM 0 HB ILE A 33 4.858 -5.421 -2.651 1.00 0.00 H new ATOM 0 HG12 ILE A 33 3.935 -6.853 -0.881 1.00 0.00 H new ATOM 0 HG13 ILE A 33 5.246 -5.866 -0.266 1.00 0.00 H new ATOM 0 HG21 ILE A 33 5.687 -3.626 -1.197 1.00 0.00 H new ATOM 0 HG22 ILE A 33 4.734 -3.014 -2.570 1.00 0.00 H new ATOM 0 HG23 ILE A 33 4.014 -3.075 -0.943 1.00 0.00 H new ATOM 0 HD11 ILE A 33 3.382 -5.947 1.340 1.00 0.00 H new ATOM 0 HD12 ILE A 33 3.607 -4.289 0.734 1.00 0.00 H new ATOM 0 HD13 ILE A 33 2.276 -5.292 0.109 1.00 0.00 H new ATOM 556 N LEU A 34 1.528 -2.972 -2.818 1.00 0.00 N ATOM 557 CA LEU A 34 1.226 -1.699 -3.411 1.00 0.00 C ATOM 558 C LEU A 34 1.284 -0.632 -2.336 1.00 0.00 C ATOM 559 O LEU A 34 0.269 -0.261 -1.744 1.00 0.00 O ATOM 560 CB LEU A 34 -0.142 -1.682 -4.121 1.00 0.00 C ATOM 561 CG LEU A 34 -0.391 -2.765 -5.178 1.00 0.00 C ATOM 562 CD1 LEU A 34 -1.835 -2.728 -5.631 1.00 0.00 C ATOM 563 CD2 LEU A 34 0.534 -2.579 -6.373 1.00 0.00 C ATOM 0 H LEU A 34 0.967 -3.205 -1.998 1.00 0.00 H new ATOM 0 HA LEU A 34 1.971 -1.499 -4.182 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.919 -1.765 -3.361 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -0.265 -0.709 -4.597 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.182 -3.736 -4.729 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.001 -3.501 -6.381 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.489 -2.905 -4.777 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -2.056 -1.751 -6.061 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.339 -3.359 -7.109 1.00 0.00 H new ATOM 0 HD22 LEU A 34 0.355 -1.602 -6.823 1.00 0.00 H new ATOM 0 HD23 LEU A 34 1.571 -2.642 -6.044 1.00 0.00 H new ATOM 575 N GLN A 35 2.477 -0.250 -1.998 1.00 0.00 N ATOM 576 CA GLN A 35 2.708 0.814 -1.051 1.00 0.00 C ATOM 577 C GLN A 35 3.078 2.048 -1.831 1.00 0.00 C ATOM 578 O GLN A 35 4.112 2.080 -2.454 1.00 0.00 O ATOM 579 CB GLN A 35 3.853 0.445 -0.120 1.00 0.00 C ATOM 580 CG GLN A 35 3.604 -0.768 0.734 1.00 0.00 C ATOM 581 CD GLN A 35 4.833 -1.177 1.502 1.00 0.00 C ATOM 582 OE1 GLN A 35 5.649 -1.979 1.031 1.00 0.00 O ATOM 583 NE2 GLN A 35 4.990 -0.651 2.668 1.00 0.00 N ATOM 0 H GLN A 35 3.330 -0.667 -2.371 1.00 0.00 H new ATOM 0 HA GLN A 35 1.814 0.985 -0.451 1.00 0.00 H new ATOM 0 HB2 GLN A 35 4.748 0.274 -0.718 1.00 0.00 H new ATOM 0 HB3 GLN A 35 4.062 1.294 0.531 1.00 0.00 H new ATOM 0 HG2 GLN A 35 2.793 -0.560 1.432 1.00 0.00 H new ATOM 0 HG3 GLN A 35 3.278 -1.595 0.103 1.00 0.00 H new ATOM 0 HE21 GLN A 35 4.299 0.007 3.028 1.00 0.00 H new ATOM 0 HE22 GLN A 35 5.805 -0.893 3.231 1.00 0.00 H new ATOM 592 N GLY A 36 2.214 3.007 -1.877 1.00 0.00 N ATOM 593 CA GLY A 36 2.504 4.197 -2.629 1.00 0.00 C ATOM 594 C GLY A 36 1.926 5.427 -2.002 1.00 0.00 C ATOM 595 O GLY A 36 1.596 5.439 -0.813 1.00 0.00 O ATOM 0 H GLY A 36 1.307 2.998 -1.410 1.00 0.00 H new ATOM 0 HA2 GLY A 36 3.584 4.312 -2.718 1.00 0.00 H new ATOM 0 HA3 GLY A 36 2.110 4.089 -3.640 1.00 0.00 H new ATOM 599 N CYS A 37 1.767 6.439 -2.801 1.00 0.00 N ATOM 600 CA CYS A 37 1.164 7.677 -2.392 1.00 0.00 C ATOM 601 C CYS A 37 0.125 8.072 -3.427 1.00 0.00 C ATOM 602 O CYS A 37 0.341 7.901 -4.627 1.00 0.00 O ATOM 603 CB CYS A 37 2.213 8.780 -2.238 1.00 0.00 C ATOM 604 SG CYS A 37 3.408 8.539 -0.889 1.00 0.00 S ATOM 0 H CYS A 37 2.059 6.429 -3.778 1.00 0.00 H new ATOM 0 HA CYS A 37 0.691 7.543 -1.419 1.00 0.00 H new ATOM 0 HB2 CYS A 37 2.762 8.869 -3.175 1.00 0.00 H new ATOM 0 HB3 CYS A 37 1.698 9.728 -2.079 1.00 0.00 H new ATOM 609 N SER A 38 -0.990 8.570 -2.990 1.00 0.00 N ATOM 610 CA SER A 38 -2.044 8.917 -3.887 1.00 0.00 C ATOM 611 C SER A 38 -2.569 10.314 -3.564 1.00 0.00 C ATOM 612 O SER A 38 -2.317 10.855 -2.469 1.00 0.00 O ATOM 613 CB SER A 38 -3.163 7.866 -3.799 1.00 0.00 C ATOM 614 OG SER A 38 -4.161 8.087 -4.763 1.00 0.00 O ATOM 0 H SER A 38 -1.193 8.746 -2.006 1.00 0.00 H new ATOM 0 HA SER A 38 -1.665 8.930 -4.909 1.00 0.00 H new ATOM 0 HB2 SER A 38 -2.739 6.871 -3.936 1.00 0.00 H new ATOM 0 HB3 SER A 38 -3.607 7.890 -2.804 1.00 0.00 H new ATOM 0 HG SER A 38 -5.040 8.087 -4.330 1.00 0.00 H new ATOM 620 N SER A 39 -3.246 10.905 -4.516 1.00 0.00 N ATOM 621 CA SER A 39 -3.835 12.205 -4.349 1.00 0.00 C ATOM 622 C SER A 39 -5.096 12.077 -3.501 1.00 0.00 C ATOM 623 O SER A 39 -5.417 12.958 -2.694 1.00 0.00 O ATOM 624 CB SER A 39 -4.140 12.834 -5.729 1.00 0.00 C ATOM 625 OG SER A 39 -4.578 14.190 -5.616 1.00 0.00 O ATOM 0 H SER A 39 -3.404 10.492 -5.435 1.00 0.00 H new ATOM 0 HA SER A 39 -3.137 12.866 -3.835 1.00 0.00 H new ATOM 0 HB2 SER A 39 -3.246 12.793 -6.351 1.00 0.00 H new ATOM 0 HB3 SER A 39 -4.907 12.246 -6.233 1.00 0.00 H new ATOM 0 HG SER A 39 -3.955 14.689 -5.047 1.00 0.00 H new ATOM 631 N SER A 40 -5.782 10.976 -3.654 1.00 0.00 N ATOM 632 CA SER A 40 -6.957 10.724 -2.903 1.00 0.00 C ATOM 633 C SER A 40 -6.927 9.270 -2.445 1.00 0.00 C ATOM 634 O SER A 40 -6.294 8.424 -3.090 1.00 0.00 O ATOM 635 CB SER A 40 -8.193 11.016 -3.773 1.00 0.00 C ATOM 636 OG SER A 40 -9.390 10.936 -3.020 1.00 0.00 O ATOM 0 H SER A 40 -5.531 10.234 -4.308 1.00 0.00 H new ATOM 0 HA SER A 40 -7.008 11.370 -2.027 1.00 0.00 H new ATOM 0 HB2 SER A 40 -8.104 12.010 -4.211 1.00 0.00 H new ATOM 0 HB3 SER A 40 -8.234 10.306 -4.599 1.00 0.00 H new ATOM 0 HG SER A 40 -10.155 11.128 -3.601 1.00 0.00 H new ATOM 642 N CYS A 41 -7.547 8.986 -1.324 1.00 0.00 N ATOM 643 CA CYS A 41 -7.620 7.633 -0.836 1.00 0.00 C ATOM 644 C CYS A 41 -8.532 6.822 -1.709 1.00 0.00 C ATOM 645 O CYS A 41 -9.710 7.162 -1.877 1.00 0.00 O ATOM 646 CB CYS A 41 -8.123 7.574 0.617 1.00 0.00 C ATOM 647 SG CYS A 41 -8.581 5.882 1.180 1.00 0.00 S ATOM 0 H CYS A 41 -8.009 9.677 -0.733 1.00 0.00 H new ATOM 0 HA CYS A 41 -6.611 7.221 -0.863 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -7.349 7.968 1.275 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -8.990 8.227 0.718 1.00 0.00 H new ATOM 652 N SER A 42 -7.999 5.792 -2.296 1.00 0.00 N ATOM 653 CA SER A 42 -8.788 4.880 -3.042 1.00 0.00 C ATOM 654 C SER A 42 -9.424 3.946 -2.022 1.00 0.00 C ATOM 655 O SER A 42 -8.832 2.933 -1.626 1.00 0.00 O ATOM 656 CB SER A 42 -7.897 4.134 -4.015 1.00 0.00 C ATOM 657 OG SER A 42 -7.032 5.060 -4.687 1.00 0.00 O ATOM 0 H SER A 42 -7.004 5.567 -2.266 1.00 0.00 H new ATOM 0 HA SER A 42 -9.561 5.372 -3.632 1.00 0.00 H new ATOM 0 HB2 SER A 42 -7.305 3.389 -3.483 1.00 0.00 H new ATOM 0 HB3 SER A 42 -8.506 3.597 -4.742 1.00 0.00 H new ATOM 0 HG SER A 42 -6.456 4.574 -5.314 1.00 0.00 H new ATOM 663 N GLU A 43 -10.574 4.375 -1.533 1.00 0.00 N ATOM 664 CA GLU A 43 -11.283 3.745 -0.438 1.00 0.00 C ATOM 665 C GLU A 43 -11.608 2.299 -0.731 1.00 0.00 C ATOM 666 O GLU A 43 -12.527 1.988 -1.490 1.00 0.00 O ATOM 667 CB GLU A 43 -12.537 4.552 -0.094 1.00 0.00 C ATOM 668 CG GLU A 43 -12.226 5.979 0.345 1.00 0.00 C ATOM 669 CD GLU A 43 -13.458 6.808 0.598 1.00 0.00 C ATOM 670 OE1 GLU A 43 -14.075 7.271 -0.370 1.00 0.00 O ATOM 671 OE2 GLU A 43 -13.825 7.027 1.762 1.00 0.00 O ATOM 0 H GLU A 43 -11.053 5.197 -1.900 1.00 0.00 H new ATOM 0 HA GLU A 43 -10.628 3.739 0.433 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -13.194 4.580 -0.963 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -13.082 4.044 0.701 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -11.624 5.949 1.253 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -11.622 6.464 -0.422 1.00 0.00 H new ATOM 678 N THR A 44 -10.812 1.439 -0.173 1.00 0.00 N ATOM 679 CA THR A 44 -10.932 0.019 -0.321 1.00 0.00 C ATOM 680 C THR A 44 -10.584 -0.641 1.006 1.00 0.00 C ATOM 681 O THR A 44 -9.927 -0.027 1.848 1.00 0.00 O ATOM 682 CB THR A 44 -9.997 -0.495 -1.443 1.00 0.00 C ATOM 683 OG1 THR A 44 -8.732 0.185 -1.372 1.00 0.00 O ATOM 684 CG2 THR A 44 -10.605 -0.304 -2.825 1.00 0.00 C ATOM 0 H THR A 44 -10.031 1.717 0.421 1.00 0.00 H new ATOM 0 HA THR A 44 -11.955 -0.233 -0.600 1.00 0.00 H new ATOM 0 HB THR A 44 -9.855 -1.565 -1.289 1.00 0.00 H new ATOM 0 HG1 THR A 44 -8.853 1.127 -1.615 1.00 0.00 H new ATOM 0 HG21 THR A 44 -9.915 -0.678 -3.581 1.00 0.00 H new ATOM 0 HG22 THR A 44 -11.545 -0.853 -2.888 1.00 0.00 H new ATOM 0 HG23 THR A 44 -10.791 0.756 -2.997 1.00 0.00 H new ATOM 692 N GLU A 45 -11.016 -1.857 1.205 1.00 0.00 N ATOM 693 CA GLU A 45 -10.789 -2.540 2.463 1.00 0.00 C ATOM 694 C GLU A 45 -9.423 -3.205 2.512 1.00 0.00 C ATOM 695 O GLU A 45 -8.846 -3.359 3.578 1.00 0.00 O ATOM 696 CB GLU A 45 -11.887 -3.570 2.732 1.00 0.00 C ATOM 697 CG GLU A 45 -13.291 -2.982 2.802 1.00 0.00 C ATOM 698 CD GLU A 45 -13.447 -1.941 3.883 1.00 0.00 C ATOM 699 OE1 GLU A 45 -13.217 -0.754 3.615 1.00 0.00 O ATOM 700 OE2 GLU A 45 -13.839 -2.292 5.027 1.00 0.00 O ATOM 0 H GLU A 45 -11.530 -2.402 0.513 1.00 0.00 H new ATOM 0 HA GLU A 45 -10.818 -1.782 3.245 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -11.861 -4.326 1.947 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -11.671 -4.078 3.672 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -13.539 -2.536 1.839 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -14.006 -3.786 2.975 1.00 0.00 H new ATOM 707 N ASN A 46 -8.890 -3.577 1.370 1.00 0.00 N ATOM 708 CA ASN A 46 -7.600 -4.286 1.332 1.00 0.00 C ATOM 709 C ASN A 46 -6.431 -3.283 1.275 1.00 0.00 C ATOM 710 O ASN A 46 -5.248 -3.662 1.289 1.00 0.00 O ATOM 711 CB ASN A 46 -7.574 -5.262 0.131 1.00 0.00 C ATOM 712 CG ASN A 46 -6.457 -6.303 0.188 1.00 0.00 C ATOM 713 OD1 ASN A 46 -6.620 -7.356 0.803 1.00 0.00 O ATOM 714 ND2 ASN A 46 -5.374 -6.082 -0.501 1.00 0.00 N ATOM 0 H ASN A 46 -9.312 -3.410 0.457 1.00 0.00 H new ATOM 0 HA ASN A 46 -7.483 -4.868 2.246 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -8.533 -5.778 0.077 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -7.470 -4.685 -0.788 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -4.640 -6.789 -0.538 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -5.260 -5.202 -1.003 1.00 0.00 H new ATOM 721 N ASN A 47 -6.770 -2.009 1.260 1.00 0.00 N ATOM 722 CA ASN A 47 -5.797 -0.944 1.175 1.00 0.00 C ATOM 723 C ASN A 47 -5.957 0.038 2.315 1.00 0.00 C ATOM 724 O ASN A 47 -7.064 0.499 2.604 1.00 0.00 O ATOM 725 CB ASN A 47 -5.924 -0.244 -0.171 1.00 0.00 C ATOM 726 CG ASN A 47 -5.110 1.023 -0.297 1.00 0.00 C ATOM 727 OD1 ASN A 47 -3.948 0.989 -0.676 1.00 0.00 O ATOM 728 ND2 ASN A 47 -5.732 2.151 -0.050 1.00 0.00 N ATOM 0 H ASN A 47 -7.736 -1.684 1.307 1.00 0.00 H new ATOM 0 HA ASN A 47 -4.799 -1.374 1.258 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -5.620 -0.936 -0.956 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -6.973 -0.006 -0.345 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -5.246 3.039 -0.173 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -6.702 2.140 0.265 1.00 0.00 H new ATOM 735 N LYS A 48 -4.869 0.334 2.968 1.00 0.00 N ATOM 736 CA LYS A 48 -4.845 1.280 4.055 1.00 0.00 C ATOM 737 C LYS A 48 -4.420 2.616 3.504 1.00 0.00 C ATOM 738 O LYS A 48 -3.405 2.706 2.824 1.00 0.00 O ATOM 739 CB LYS A 48 -3.828 0.857 5.124 1.00 0.00 C ATOM 740 CG LYS A 48 -3.962 -0.581 5.594 1.00 0.00 C ATOM 741 CD LYS A 48 -2.962 -0.935 6.703 1.00 0.00 C ATOM 742 CE LYS A 48 -3.472 -0.588 8.117 1.00 0.00 C ATOM 743 NZ LYS A 48 -3.750 0.844 8.343 1.00 0.00 N ATOM 0 H LYS A 48 -3.960 -0.079 2.760 1.00 0.00 H new ATOM 0 HA LYS A 48 -5.836 1.328 4.507 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -2.823 1.003 4.728 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -3.931 1.517 5.985 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.976 -0.748 5.958 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -3.813 -1.251 4.748 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -2.740 -2.001 6.656 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -2.026 -0.406 6.522 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -4.383 -1.155 8.308 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -2.732 -0.919 8.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -3.805 1.030 9.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -2.987 1.416 7.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -4.654 1.097 7.896 1.00 0.00 H new ATOM 757 N CYS A 49 -5.179 3.620 3.751 1.00 0.00 N ATOM 758 CA CYS A 49 -4.813 4.944 3.325 1.00 0.00 C ATOM 759 C CYS A 49 -4.708 5.845 4.532 1.00 0.00 C ATOM 760 O CYS A 49 -5.601 5.861 5.393 1.00 0.00 O ATOM 761 CB CYS A 49 -5.800 5.496 2.297 1.00 0.00 C ATOM 762 SG CYS A 49 -7.528 5.574 2.871 1.00 0.00 S ATOM 0 H CYS A 49 -6.067 3.561 4.249 1.00 0.00 H new ATOM 0 HA CYS A 49 -3.842 4.900 2.831 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -5.481 6.497 2.008 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -5.756 4.877 1.401 1.00 0.00 H new ATOM 767 N CYS A 50 -3.622 6.533 4.637 1.00 0.00 N ATOM 768 CA CYS A 50 -3.364 7.388 5.755 1.00 0.00 C ATOM 769 C CYS A 50 -2.699 8.678 5.301 1.00 0.00 C ATOM 770 O CYS A 50 -2.088 8.723 4.238 1.00 0.00 O ATOM 771 CB CYS A 50 -2.543 6.627 6.778 1.00 0.00 C ATOM 772 SG CYS A 50 -1.206 5.652 6.036 1.00 0.00 S ATOM 0 H CYS A 50 -2.876 6.520 3.942 1.00 0.00 H new ATOM 0 HA CYS A 50 -4.300 7.682 6.230 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -2.117 7.333 7.491 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -3.199 5.963 7.340 1.00 0.00 H new ATOM 777 N SER A 51 -2.832 9.717 6.074 1.00 0.00 N ATOM 778 CA SER A 51 -2.330 11.017 5.700 1.00 0.00 C ATOM 779 C SER A 51 -1.113 11.458 6.553 1.00 0.00 C ATOM 780 O SER A 51 -0.838 12.652 6.696 1.00 0.00 O ATOM 781 CB SER A 51 -3.489 12.007 5.807 1.00 0.00 C ATOM 782 OG SER A 51 -4.194 11.837 7.043 1.00 0.00 O ATOM 0 H SER A 51 -3.292 9.691 6.984 1.00 0.00 H new ATOM 0 HA SER A 51 -1.956 10.980 4.677 1.00 0.00 H new ATOM 0 HB2 SER A 51 -3.109 13.026 5.737 1.00 0.00 H new ATOM 0 HB3 SER A 51 -4.173 11.864 4.971 1.00 0.00 H new ATOM 0 HG SER A 51 -4.930 12.482 7.091 1.00 0.00 H new ATOM 788 N THR A 52 -0.359 10.502 7.062 1.00 0.00 N ATOM 789 CA THR A 52 0.807 10.818 7.877 1.00 0.00 C ATOM 790 C THR A 52 2.059 10.234 7.206 1.00 0.00 C ATOM 791 O THR A 52 1.990 9.203 6.532 1.00 0.00 O ATOM 792 CB THR A 52 0.657 10.225 9.284 1.00 0.00 C ATOM 793 OG1 THR A 52 -0.685 10.444 9.742 1.00 0.00 O ATOM 794 CG2 THR A 52 1.605 10.897 10.269 1.00 0.00 C ATOM 0 H THR A 52 -0.528 9.505 6.929 1.00 0.00 H new ATOM 0 HA THR A 52 0.898 11.901 7.964 1.00 0.00 H new ATOM 0 HB THR A 52 0.890 9.162 9.231 1.00 0.00 H new ATOM 0 HG1 THR A 52 -0.790 10.066 10.640 1.00 0.00 H new ATOM 0 HG21 THR A 52 1.476 10.456 11.257 1.00 0.00 H new ATOM 0 HG22 THR A 52 2.634 10.753 9.939 1.00 0.00 H new ATOM 0 HG23 THR A 52 1.385 11.963 10.316 1.00 0.00 H new ATOM 802 N ASP A 53 3.187 10.859 7.406 1.00 0.00 N ATOM 803 CA ASP A 53 4.402 10.424 6.733 1.00 0.00 C ATOM 804 C ASP A 53 4.809 9.061 7.234 1.00 0.00 C ATOM 805 O ASP A 53 4.707 8.771 8.428 1.00 0.00 O ATOM 806 CB ASP A 53 5.575 11.418 6.893 1.00 0.00 C ATOM 807 CG ASP A 53 6.336 11.288 8.200 1.00 0.00 C ATOM 808 OD1 ASP A 53 5.922 11.866 9.213 1.00 0.00 O ATOM 809 OD2 ASP A 53 7.400 10.637 8.223 1.00 0.00 O ATOM 0 H ASP A 53 3.301 11.664 8.021 1.00 0.00 H new ATOM 0 HA ASP A 53 4.172 10.379 5.668 1.00 0.00 H new ATOM 0 HB2 ASP A 53 6.271 11.275 6.066 1.00 0.00 H new ATOM 0 HB3 ASP A 53 5.188 12.434 6.812 1.00 0.00 H new ATOM 814 N ARG A 54 5.186 8.214 6.302 1.00 0.00 N ATOM 815 CA ARG A 54 5.677 6.867 6.561 1.00 0.00 C ATOM 816 C ARG A 54 4.626 5.961 7.202 1.00 0.00 C ATOM 817 O ARG A 54 4.958 4.885 7.691 1.00 0.00 O ATOM 818 CB ARG A 54 6.942 6.914 7.427 1.00 0.00 C ATOM 819 CG ARG A 54 8.078 7.695 6.802 1.00 0.00 C ATOM 820 CD ARG A 54 9.236 7.882 7.762 1.00 0.00 C ATOM 821 NE ARG A 54 9.800 6.618 8.227 1.00 0.00 N ATOM 822 CZ ARG A 54 11.096 6.409 8.492 1.00 0.00 C ATOM 823 NH1 ARG A 54 11.981 7.408 8.368 1.00 0.00 N ATOM 824 NH2 ARG A 54 11.496 5.210 8.905 1.00 0.00 N ATOM 0 H ARG A 54 5.161 8.446 5.309 1.00 0.00 H new ATOM 0 HA ARG A 54 5.917 6.431 5.591 1.00 0.00 H new ATOM 0 HB2 ARG A 54 6.695 7.358 8.392 1.00 0.00 H new ATOM 0 HB3 ARG A 54 7.277 5.895 7.621 1.00 0.00 H new ATOM 0 HG2 ARG A 54 8.427 7.175 5.910 1.00 0.00 H new ATOM 0 HG3 ARG A 54 7.713 8.670 6.480 1.00 0.00 H new ATOM 0 HD2 ARG A 54 10.017 8.464 7.272 1.00 0.00 H new ATOM 0 HD3 ARG A 54 8.899 8.461 8.621 1.00 0.00 H new ATOM 0 HE ARG A 54 9.159 5.836 8.360 1.00 0.00 H new ATOM 0 HH11 ARG A 54 11.668 8.332 8.071 1.00 0.00 H new ATOM 0 HH12 ARG A 54 12.967 7.244 8.571 1.00 0.00 H new ATOM 0 HH21 ARG A 54 10.817 4.457 9.018 1.00 0.00 H new ATOM 0 HH22 ARG A 54 12.481 5.043 9.109 1.00 0.00 H new ATOM 838 N CYS A 55 3.357 6.355 7.152 1.00 0.00 N ATOM 839 CA CYS A 55 2.294 5.564 7.788 1.00 0.00 C ATOM 840 C CYS A 55 1.989 4.282 6.999 1.00 0.00 C ATOM 841 O CYS A 55 1.377 3.347 7.520 1.00 0.00 O ATOM 842 CB CYS A 55 1.032 6.388 7.888 1.00 0.00 C ATOM 843 SG CYS A 55 0.375 6.855 6.259 1.00 0.00 S ATOM 0 H CYS A 55 3.037 7.204 6.686 1.00 0.00 H new ATOM 0 HA CYS A 55 2.645 5.283 8.781 1.00 0.00 H new ATOM 0 HB2 CYS A 55 0.276 5.823 8.433 1.00 0.00 H new ATOM 0 HB3 CYS A 55 1.235 7.289 8.466 1.00 0.00 H new ATOM 848 N ASN A 56 2.502 4.197 5.781 1.00 0.00 N ATOM 849 CA ASN A 56 2.194 3.083 4.868 1.00 0.00 C ATOM 850 C ASN A 56 3.248 1.993 5.040 1.00 0.00 C ATOM 851 O ASN A 56 3.550 1.210 4.141 1.00 0.00 O ATOM 852 CB ASN A 56 2.106 3.583 3.402 1.00 0.00 C ATOM 853 CG ASN A 56 3.421 3.993 2.765 1.00 0.00 C ATOM 854 OD1 ASN A 56 4.369 4.457 3.433 1.00 0.00 O ATOM 855 ND2 ASN A 56 3.473 3.867 1.463 1.00 0.00 N ATOM 0 H ASN A 56 3.141 4.889 5.390 1.00 0.00 H new ATOM 0 HA ASN A 56 1.219 2.662 5.114 1.00 0.00 H new ATOM 0 HB2 ASN A 56 1.660 2.795 2.795 1.00 0.00 H new ATOM 0 HB3 ASN A 56 1.426 4.435 3.368 1.00 0.00 H new ATOM 0 HD21 ASN A 56 4.311 4.153 0.956 1.00 0.00 H new ATOM 0 HD22 ASN A 56 2.676 3.483 0.956 1.00 0.00 H new ATOM 862 N LYS A 57 3.735 1.962 6.244 1.00 0.00 N ATOM 863 CA LYS A 57 4.750 1.116 6.750 1.00 0.00 C ATOM 864 C LYS A 57 4.238 -0.332 6.778 1.00 0.00 C ATOM 865 O LYS A 57 3.352 -0.637 7.606 1.00 0.00 O ATOM 866 CB LYS A 57 5.000 1.648 8.154 1.00 0.00 C ATOM 867 CG LYS A 57 6.401 1.573 8.738 1.00 0.00 C ATOM 868 CD LYS A 57 6.890 0.175 9.132 1.00 0.00 C ATOM 869 CE LYS A 57 7.426 -0.626 7.959 1.00 0.00 C ATOM 870 NZ LYS A 57 7.892 -1.966 8.371 1.00 0.00 N ATOM 871 OXT LYS A 57 4.749 -1.174 5.998 1.00 0.00 O ATOM 0 H LYS A 57 3.389 2.598 6.962 1.00 0.00 H new ATOM 0 HA LYS A 57 5.661 1.111 6.151 1.00 0.00 H new ATOM 0 HB2 LYS A 57 4.695 2.694 8.167 1.00 0.00 H new ATOM 0 HB3 LYS A 57 4.334 1.113 8.831 1.00 0.00 H new ATOM 0 HG2 LYS A 57 7.099 1.989 8.011 1.00 0.00 H new ATOM 0 HG3 LYS A 57 6.440 2.212 9.620 1.00 0.00 H new ATOM 0 HD2 LYS A 57 7.672 0.270 9.886 1.00 0.00 H new ATOM 0 HD3 LYS A 57 6.068 -0.373 9.592 1.00 0.00 H new ATOM 0 HE2 LYS A 57 6.646 -0.729 7.204 1.00 0.00 H new ATOM 0 HE3 LYS A 57 8.249 -0.083 7.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 8.250 -2.480 7.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 8.654 -1.868 9.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 7.101 -2.495 8.791 1.00 0.00 H new TER 885 LYS A 57