USER MOD reduce.3.24.130724 H: found=0, std=0, add=437, rem=0, adj=16 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 25 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 46 ASN : amide:sc= 0.926 K(o=0.93,f=-0.28) USER MOD Single : A 1 LEU N :NH3+ -175:sc= 1.19 (180deg=1.15) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -0.696 K(o=-0.7,f=-1.5) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 LYS NZ :NH3+ -167:sc= -0.015 (180deg=-0.214) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 HIS : no HE2:sc= 0.485 K(o=0.48,f=-5.5!) USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 HIS : no HD1:sc= -3.2 K(o=-3.2,f=-1.7) USER MOD Single : A 22 ASN : amide:sc= -1.52! K(o=-1.5!,f=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= 0 K(o=0,f=-0.97) USER MOD Single : A 31 LYS NZ :NH3+ 160:sc= -0.0635 (180deg=-0.477) USER MOD Single : A 35 GLN : amide:sc= -0.67 X(o=-0.67,f=-0.33) USER MOD Single : A 38 SER OG : rot 180:sc= 0.00453 USER MOD Single : A 39 SER OG : rot 58:sc= 0.468 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 180:sc= 0.0949 USER MOD Single : A 47 ASN : amide:sc= -1.25 K(o=-1.3,f=-5!) USER MOD Single : A 48 LYS NZ :NH3+ -146:sc= 1.27 (180deg=0.929) USER MOD Single : A 51 SER OG : rot -87:sc= 0.778 USER MOD Single : A 52 THR OG1 : rot 180:sc= -0.142 USER MOD Single : A 56 ASN : amide:sc= 0.862 K(o=0.86,f=-11!) USER MOD Single : A 57 LYS NZ :NH3+ 166:sc= -0.0192 (180deg=-0.264) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 5.284 14.962 1.321 1.00 0.00 N ATOM 2 CA LEU A 1 4.846 13.931 2.264 1.00 0.00 C ATOM 3 C LEU A 1 5.733 12.729 1.978 1.00 0.00 C ATOM 4 O LEU A 1 5.875 12.355 0.839 1.00 0.00 O ATOM 5 CB LEU A 1 3.360 13.585 1.981 1.00 0.00 C ATOM 6 CG LEU A 1 2.493 13.092 3.164 1.00 0.00 C ATOM 7 CD1 LEU A 1 1.089 12.748 2.692 1.00 0.00 C ATOM 8 CD2 LEU A 1 3.112 11.910 3.878 1.00 0.00 C ATOM 0 H1 LEU A 1 4.776 15.848 1.515 1.00 0.00 H new ATOM 0 H2 LEU A 1 6.307 15.119 1.428 1.00 0.00 H new ATOM 0 H3 LEU A 1 5.081 14.652 0.349 1.00 0.00 H new ATOM 0 HA LEU A 1 4.923 14.248 3.304 1.00 0.00 H new ATOM 0 HB2 LEU A 1 2.884 14.472 1.564 1.00 0.00 H new ATOM 0 HB3 LEU A 1 3.337 12.818 1.207 1.00 0.00 H new ATOM 0 HG LEU A 1 2.438 13.911 3.881 1.00 0.00 H new ATOM 0 HD11 LEU A 1 0.495 12.403 3.538 1.00 0.00 H new ATOM 0 HD12 LEU A 1 0.624 13.633 2.259 1.00 0.00 H new ATOM 0 HD13 LEU A 1 1.141 11.960 1.940 1.00 0.00 H new ATOM 0 HD21 LEU A 1 2.465 11.602 4.700 1.00 0.00 H new ATOM 0 HD22 LEU A 1 3.229 11.083 3.178 1.00 0.00 H new ATOM 0 HD23 LEU A 1 4.088 12.193 4.271 1.00 0.00 H new ATOM 22 N LYS A 2 6.359 12.158 2.969 1.00 0.00 N ATOM 23 CA LYS A 2 7.263 11.058 2.706 1.00 0.00 C ATOM 24 C LYS A 2 6.740 9.706 3.184 1.00 0.00 C ATOM 25 O LYS A 2 6.485 9.502 4.374 1.00 0.00 O ATOM 26 CB LYS A 2 8.683 11.361 3.196 1.00 0.00 C ATOM 27 CG LYS A 2 8.793 11.888 4.610 1.00 0.00 C ATOM 28 CD LYS A 2 10.251 12.093 4.977 1.00 0.00 C ATOM 29 CE LYS A 2 10.410 12.666 6.370 1.00 0.00 C ATOM 30 NZ LYS A 2 11.829 12.738 6.769 1.00 0.00 N ATOM 0 H LYS A 2 6.268 12.424 3.949 1.00 0.00 H new ATOM 0 HA LYS A 2 7.317 10.963 1.622 1.00 0.00 H new ATOM 0 HB2 LYS A 2 9.275 10.449 3.121 1.00 0.00 H new ATOM 0 HB3 LYS A 2 9.132 12.089 2.521 1.00 0.00 H new ATOM 0 HG2 LYS A 2 8.252 12.830 4.699 1.00 0.00 H new ATOM 0 HG3 LYS A 2 8.330 11.187 5.305 1.00 0.00 H new ATOM 0 HD2 LYS A 2 10.778 11.141 4.914 1.00 0.00 H new ATOM 0 HD3 LYS A 2 10.716 12.763 4.254 1.00 0.00 H new ATOM 0 HE2 LYS A 2 9.970 13.663 6.406 1.00 0.00 H new ATOM 0 HE3 LYS A 2 9.862 12.049 7.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 11.900 13.135 7.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 12.242 11.783 6.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 12.346 13.347 6.103 1.00 0.00 H new ATOM 44 N CYS A 3 6.584 8.790 2.244 1.00 0.00 N ATOM 45 CA CYS A 3 6.051 7.463 2.516 1.00 0.00 C ATOM 46 C CYS A 3 6.783 6.386 1.707 1.00 0.00 C ATOM 47 O CYS A 3 7.514 6.687 0.738 1.00 0.00 O ATOM 48 CB CYS A 3 4.539 7.417 2.267 1.00 0.00 C ATOM 49 SG CYS A 3 3.569 8.468 3.399 1.00 0.00 S ATOM 0 H CYS A 3 6.824 8.945 1.265 1.00 0.00 H new ATOM 0 HA CYS A 3 6.223 7.248 3.571 1.00 0.00 H new ATOM 0 HB2 CYS A 3 4.340 7.726 1.241 1.00 0.00 H new ATOM 0 HB3 CYS A 3 4.197 6.386 2.361 1.00 0.00 H new ATOM 54 N PHE A 4 6.606 5.141 2.098 1.00 0.00 N ATOM 55 CA PHE A 4 7.314 4.044 1.481 1.00 0.00 C ATOM 56 C PHE A 4 6.647 3.642 0.182 1.00 0.00 C ATOM 57 O PHE A 4 5.730 2.840 0.202 1.00 0.00 O ATOM 58 CB PHE A 4 7.350 2.817 2.410 1.00 0.00 C ATOM 59 CG PHE A 4 8.004 3.036 3.740 1.00 0.00 C ATOM 60 CD1 PHE A 4 9.353 2.816 3.902 1.00 0.00 C ATOM 61 CD2 PHE A 4 7.265 3.446 4.828 1.00 0.00 C ATOM 62 CE1 PHE A 4 9.960 3.001 5.119 1.00 0.00 C ATOM 63 CE2 PHE A 4 7.866 3.634 6.049 1.00 0.00 C ATOM 64 CZ PHE A 4 9.215 3.412 6.199 1.00 0.00 C ATOM 0 H PHE A 4 5.972 4.864 2.847 1.00 0.00 H new ATOM 0 HA PHE A 4 8.331 4.384 1.287 1.00 0.00 H new ATOM 0 HB2 PHE A 4 6.327 2.480 2.578 1.00 0.00 H new ATOM 0 HB3 PHE A 4 7.871 2.009 1.897 1.00 0.00 H new ATOM 0 HD1 PHE A 4 9.944 2.492 3.058 1.00 0.00 H new ATOM 0 HD2 PHE A 4 6.205 3.621 4.720 1.00 0.00 H new ATOM 0 HE1 PHE A 4 11.020 2.824 5.228 1.00 0.00 H new ATOM 0 HE2 PHE A 4 7.277 3.957 6.894 1.00 0.00 H new ATOM 0 HZ PHE A 4 9.686 3.560 7.159 1.00 0.00 H new ATOM 74 N GLN A 5 7.032 4.247 -0.930 1.00 0.00 N ATOM 75 CA GLN A 5 6.471 3.811 -2.203 1.00 0.00 C ATOM 76 C GLN A 5 7.156 2.555 -2.734 1.00 0.00 C ATOM 77 O GLN A 5 6.507 1.629 -3.201 1.00 0.00 O ATOM 78 CB GLN A 5 6.527 4.896 -3.263 1.00 0.00 C ATOM 79 CG GLN A 5 5.598 6.076 -3.038 1.00 0.00 C ATOM 80 CD GLN A 5 5.515 6.998 -4.241 1.00 0.00 C ATOM 81 OE1 GLN A 5 4.477 7.617 -4.486 1.00 0.00 O ATOM 82 NE2 GLN A 5 6.584 7.102 -4.999 1.00 0.00 N ATOM 0 H GLN A 5 7.704 5.012 -0.982 1.00 0.00 H new ATOM 0 HA GLN A 5 5.426 3.582 -1.995 1.00 0.00 H new ATOM 0 HB2 GLN A 5 7.550 5.267 -3.325 1.00 0.00 H new ATOM 0 HB3 GLN A 5 6.291 4.449 -4.229 1.00 0.00 H new ATOM 0 HG2 GLN A 5 4.601 5.707 -2.800 1.00 0.00 H new ATOM 0 HG3 GLN A 5 5.943 6.644 -2.174 1.00 0.00 H new ATOM 0 HE21 GLN A 5 7.426 6.576 -4.768 1.00 0.00 H new ATOM 0 HE22 GLN A 5 6.571 7.709 -5.819 1.00 0.00 H new ATOM 91 N HIS A 6 8.453 2.515 -2.644 1.00 0.00 N ATOM 92 CA HIS A 6 9.198 1.350 -3.126 1.00 0.00 C ATOM 93 C HIS A 6 9.703 0.561 -1.952 1.00 0.00 C ATOM 94 O HIS A 6 10.558 -0.305 -2.078 1.00 0.00 O ATOM 95 CB HIS A 6 10.371 1.780 -4.027 1.00 0.00 C ATOM 96 CG HIS A 6 9.955 2.531 -5.264 1.00 0.00 C ATOM 97 ND1 HIS A 6 10.278 3.848 -5.511 1.00 0.00 N ATOM 98 CD2 HIS A 6 9.244 2.116 -6.339 1.00 0.00 C ATOM 99 CE1 HIS A 6 9.763 4.190 -6.696 1.00 0.00 C ATOM 100 NE2 HIS A 6 9.118 3.172 -7.249 1.00 0.00 N ATOM 0 H HIS A 6 9.028 3.259 -2.248 1.00 0.00 H new ATOM 0 HA HIS A 6 8.531 0.727 -3.722 1.00 0.00 H new ATOM 0 HB2 HIS A 6 11.050 2.405 -3.447 1.00 0.00 H new ATOM 0 HB3 HIS A 6 10.930 0.893 -4.325 1.00 0.00 H new ATOM 0 HD2 HIS A 6 8.837 1.125 -6.473 1.00 0.00 H new ATOM 0 HE1 HIS A 6 9.860 5.168 -7.144 1.00 0.00 H new ATOM 0 HE2 HIS A 6 8.633 3.161 -8.146 1.00 0.00 H new ATOM 108 N GLY A 7 9.157 0.865 -0.800 1.00 0.00 N ATOM 109 CA GLY A 7 9.637 0.286 0.428 1.00 0.00 C ATOM 110 C GLY A 7 10.637 1.214 1.070 1.00 0.00 C ATOM 111 O GLY A 7 11.092 0.998 2.185 1.00 0.00 O ATOM 0 H GLY A 7 8.377 1.513 -0.688 1.00 0.00 H new ATOM 0 HA2 GLY A 7 8.804 0.107 1.107 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.099 -0.681 0.229 1.00 0.00 H new ATOM 115 N LYS A 8 11.011 2.219 0.321 1.00 0.00 N ATOM 116 CA LYS A 8 11.902 3.253 0.770 1.00 0.00 C ATOM 117 C LYS A 8 11.098 4.509 1.019 1.00 0.00 C ATOM 118 O LYS A 8 10.044 4.704 0.392 1.00 0.00 O ATOM 119 CB LYS A 8 12.978 3.518 -0.280 1.00 0.00 C ATOM 120 CG LYS A 8 13.816 2.301 -0.611 1.00 0.00 C ATOM 121 CD LYS A 8 14.880 2.623 -1.636 1.00 0.00 C ATOM 122 CE LYS A 8 15.699 1.394 -1.991 1.00 0.00 C ATOM 123 NZ LYS A 8 16.396 0.831 -0.818 1.00 0.00 N ATOM 0 H LYS A 8 10.696 2.342 -0.641 1.00 0.00 H new ATOM 0 HA LYS A 8 12.394 2.939 1.690 1.00 0.00 H new ATOM 0 HB2 LYS A 8 12.503 3.880 -1.192 1.00 0.00 H new ATOM 0 HB3 LYS A 8 13.633 4.314 0.076 1.00 0.00 H new ATOM 0 HG2 LYS A 8 14.286 1.924 0.297 1.00 0.00 H new ATOM 0 HG3 LYS A 8 13.173 1.507 -0.990 1.00 0.00 H new ATOM 0 HD2 LYS A 8 14.411 3.022 -2.536 1.00 0.00 H new ATOM 0 HD3 LYS A 8 15.538 3.401 -1.248 1.00 0.00 H new ATOM 0 HE2 LYS A 8 15.045 0.636 -2.422 1.00 0.00 H new ATOM 0 HE3 LYS A 8 16.431 1.655 -2.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 17.107 0.141 -1.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 16.866 1.596 -0.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 15.707 0.359 -0.198 1.00 0.00 H new ATOM 137 N VAL A 9 11.574 5.336 1.914 1.00 0.00 N ATOM 138 CA VAL A 9 10.920 6.587 2.255 1.00 0.00 C ATOM 139 C VAL A 9 11.194 7.605 1.149 1.00 0.00 C ATOM 140 O VAL A 9 12.317 8.099 1.013 1.00 0.00 O ATOM 141 CB VAL A 9 11.446 7.152 3.608 1.00 0.00 C ATOM 142 CG1 VAL A 9 10.677 8.390 4.025 1.00 0.00 C ATOM 143 CG2 VAL A 9 11.398 6.104 4.703 1.00 0.00 C ATOM 0 H VAL A 9 12.434 5.164 2.435 1.00 0.00 H new ATOM 0 HA VAL A 9 9.850 6.402 2.355 1.00 0.00 H new ATOM 0 HB VAL A 9 12.488 7.434 3.455 1.00 0.00 H new ATOM 0 HG11 VAL A 9 11.068 8.759 4.973 1.00 0.00 H new ATOM 0 HG12 VAL A 9 10.787 9.161 3.262 1.00 0.00 H new ATOM 0 HG13 VAL A 9 9.622 8.141 4.140 1.00 0.00 H new ATOM 0 HG21 VAL A 9 11.772 6.532 5.633 1.00 0.00 H new ATOM 0 HG22 VAL A 9 10.369 5.772 4.844 1.00 0.00 H new ATOM 0 HG23 VAL A 9 12.018 5.253 4.420 1.00 0.00 H new ATOM 153 N VAL A 10 10.201 7.886 0.351 1.00 0.00 N ATOM 154 CA VAL A 10 10.356 8.794 -0.765 1.00 0.00 C ATOM 155 C VAL A 10 9.436 9.989 -0.625 1.00 0.00 C ATOM 156 O VAL A 10 8.395 9.910 0.042 1.00 0.00 O ATOM 157 CB VAL A 10 10.118 8.107 -2.130 1.00 0.00 C ATOM 158 CG1 VAL A 10 11.119 6.990 -2.354 1.00 0.00 C ATOM 159 CG2 VAL A 10 8.706 7.578 -2.232 1.00 0.00 C ATOM 0 H VAL A 10 9.263 7.497 0.450 1.00 0.00 H new ATOM 0 HA VAL A 10 11.392 9.131 -0.742 1.00 0.00 H new ATOM 0 HB VAL A 10 10.258 8.857 -2.909 1.00 0.00 H new ATOM 0 HG11 VAL A 10 10.932 6.522 -3.320 1.00 0.00 H new ATOM 0 HG12 VAL A 10 12.129 7.398 -2.339 1.00 0.00 H new ATOM 0 HG13 VAL A 10 11.016 6.246 -1.564 1.00 0.00 H new ATOM 0 HG21 VAL A 10 8.566 7.100 -3.201 1.00 0.00 H new ATOM 0 HG22 VAL A 10 8.532 6.850 -1.440 1.00 0.00 H new ATOM 0 HG23 VAL A 10 8.000 8.402 -2.128 1.00 0.00 H new ATOM 169 N THR A 11 9.835 11.091 -1.201 1.00 0.00 N ATOM 170 CA THR A 11 9.064 12.290 -1.147 1.00 0.00 C ATOM 171 C THR A 11 7.924 12.247 -2.162 1.00 0.00 C ATOM 172 O THR A 11 8.141 12.328 -3.369 1.00 0.00 O ATOM 173 CB THR A 11 9.943 13.530 -1.411 1.00 0.00 C ATOM 174 OG1 THR A 11 11.022 13.555 -0.464 1.00 0.00 O ATOM 175 CG2 THR A 11 9.128 14.815 -1.274 1.00 0.00 C ATOM 0 H THR A 11 10.708 11.176 -1.721 1.00 0.00 H new ATOM 0 HA THR A 11 8.646 12.365 -0.143 1.00 0.00 H new ATOM 0 HB THR A 11 10.332 13.470 -2.428 1.00 0.00 H new ATOM 0 HG1 THR A 11 11.584 14.341 -0.629 1.00 0.00 H new ATOM 0 HG21 THR A 11 9.770 15.675 -1.465 1.00 0.00 H new ATOM 0 HG22 THR A 11 8.310 14.806 -1.995 1.00 0.00 H new ATOM 0 HG23 THR A 11 8.722 14.882 -0.265 1.00 0.00 H new ATOM 183 N CYS A 12 6.749 12.060 -1.665 1.00 0.00 N ATOM 184 CA CYS A 12 5.543 12.122 -2.433 1.00 0.00 C ATOM 185 C CYS A 12 5.135 13.583 -2.450 1.00 0.00 C ATOM 186 O CYS A 12 5.204 14.266 -1.400 1.00 0.00 O ATOM 187 CB CYS A 12 4.492 11.249 -1.755 1.00 0.00 C ATOM 188 SG CYS A 12 5.107 9.555 -1.405 1.00 0.00 S ATOM 0 H CYS A 12 6.592 11.852 -0.679 1.00 0.00 H new ATOM 0 HA CYS A 12 5.664 11.757 -3.453 1.00 0.00 H new ATOM 0 HB2 CYS A 12 4.180 11.719 -0.822 1.00 0.00 H new ATOM 0 HB3 CYS A 12 3.609 11.188 -2.392 1.00 0.00 H new ATOM 193 N HIS A 13 4.777 14.086 -3.614 1.00 0.00 N ATOM 194 CA HIS A 13 4.505 15.499 -3.785 1.00 0.00 C ATOM 195 C HIS A 13 3.202 15.890 -3.072 1.00 0.00 C ATOM 196 O HIS A 13 2.472 15.031 -2.596 1.00 0.00 O ATOM 197 CB HIS A 13 4.476 15.868 -5.287 1.00 0.00 C ATOM 198 CG HIS A 13 4.681 17.331 -5.555 1.00 0.00 C ATOM 199 ND1 HIS A 13 3.770 18.152 -6.183 1.00 0.00 N ATOM 200 CD2 HIS A 13 5.745 18.113 -5.256 1.00 0.00 C ATOM 201 CE1 HIS A 13 4.298 19.383 -6.245 1.00 0.00 C ATOM 202 NE2 HIS A 13 5.502 19.413 -5.687 1.00 0.00 N ATOM 0 H HIS A 13 4.667 13.531 -4.463 1.00 0.00 H new ATOM 0 HA HIS A 13 5.311 16.071 -3.324 1.00 0.00 H new ATOM 0 HB2 HIS A 13 5.249 15.301 -5.806 1.00 0.00 H new ATOM 0 HB3 HIS A 13 3.519 15.561 -5.709 1.00 0.00 H new ATOM 0 HD1 HIS A 13 2.855 17.873 -6.538 1.00 0.00 H new ATOM 0 HD2 HIS A 13 6.644 17.779 -4.759 1.00 0.00 H new ATOM 0 HE1 HIS A 13 3.809 20.237 -6.690 1.00 0.00 H new ATOM 210 N ARG A 14 2.893 17.174 -3.055 1.00 0.00 N ATOM 211 CA ARG A 14 1.754 17.697 -2.300 1.00 0.00 C ATOM 212 C ARG A 14 0.430 17.396 -2.995 1.00 0.00 C ATOM 213 O ARG A 14 -0.657 17.731 -2.487 1.00 0.00 O ATOM 214 CB ARG A 14 1.906 19.185 -2.087 1.00 0.00 C ATOM 215 CG ARG A 14 3.259 19.581 -1.538 1.00 0.00 C ATOM 216 CD ARG A 14 3.327 21.059 -1.259 1.00 0.00 C ATOM 217 NE ARG A 14 2.927 21.874 -2.415 1.00 0.00 N ATOM 218 CZ ARG A 14 2.924 23.203 -2.428 1.00 0.00 C ATOM 219 NH1 ARG A 14 3.482 23.883 -1.423 1.00 0.00 N ATOM 220 NH2 ARG A 14 2.408 23.848 -3.454 1.00 0.00 N ATOM 0 H ARG A 14 3.419 17.887 -3.561 1.00 0.00 H new ATOM 0 HA ARG A 14 1.741 17.196 -1.332 1.00 0.00 H new ATOM 0 HB2 ARG A 14 1.743 19.698 -3.035 1.00 0.00 H new ATOM 0 HB3 ARG A 14 1.130 19.527 -1.402 1.00 0.00 H new ATOM 0 HG2 ARG A 14 3.458 19.026 -0.621 1.00 0.00 H new ATOM 0 HG3 ARG A 14 4.037 19.307 -2.251 1.00 0.00 H new ATOM 0 HD2 ARG A 14 2.682 21.295 -0.413 1.00 0.00 H new ATOM 0 HD3 ARG A 14 4.344 21.323 -0.968 1.00 0.00 H new ATOM 0 HE ARG A 14 2.633 21.388 -3.262 1.00 0.00 H new ATOM 0 HH11 ARG A 14 3.911 23.382 -0.645 1.00 0.00 H new ATOM 0 HH12 ARG A 14 3.479 24.903 -1.434 1.00 0.00 H new ATOM 0 HH21 ARG A 14 2.012 23.328 -4.237 1.00 0.00 H new ATOM 0 HH22 ARG A 14 2.405 24.868 -3.466 1.00 0.00 H new ATOM 234 N ASP A 15 0.518 16.803 -4.170 1.00 0.00 N ATOM 235 CA ASP A 15 -0.655 16.340 -4.881 1.00 0.00 C ATOM 236 C ASP A 15 -1.109 15.081 -4.212 1.00 0.00 C ATOM 237 O ASP A 15 -2.298 14.768 -4.158 1.00 0.00 O ATOM 238 CB ASP A 15 -0.344 16.054 -6.354 1.00 0.00 C ATOM 239 CG ASP A 15 0.062 17.280 -7.117 1.00 0.00 C ATOM 240 OD1 ASP A 15 1.273 17.637 -7.100 1.00 0.00 O ATOM 241 OD2 ASP A 15 -0.806 17.922 -7.750 1.00 0.00 O ATOM 0 H ASP A 15 1.399 16.630 -4.655 1.00 0.00 H new ATOM 0 HA ASP A 15 -1.426 17.110 -4.856 1.00 0.00 H new ATOM 0 HB2 ASP A 15 0.455 15.315 -6.414 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -1.222 15.613 -6.826 1.00 0.00 H new ATOM 246 N MET A 16 -0.142 14.386 -3.657 1.00 0.00 N ATOM 247 CA MET A 16 -0.357 13.172 -2.951 1.00 0.00 C ATOM 248 C MET A 16 -0.693 13.482 -1.527 1.00 0.00 C ATOM 249 O MET A 16 0.171 13.816 -0.719 1.00 0.00 O ATOM 250 CB MET A 16 0.866 12.246 -3.049 1.00 0.00 C ATOM 251 CG MET A 16 1.031 11.612 -4.395 1.00 0.00 C ATOM 252 SD MET A 16 1.445 12.772 -5.699 1.00 0.00 S ATOM 253 CE MET A 16 1.297 11.680 -7.083 1.00 0.00 C ATOM 0 H MET A 16 0.837 14.669 -3.693 1.00 0.00 H new ATOM 0 HA MET A 16 -1.193 12.640 -3.404 1.00 0.00 H new ATOM 0 HB2 MET A 16 1.764 12.817 -2.813 1.00 0.00 H new ATOM 0 HB3 MET A 16 0.780 11.463 -2.296 1.00 0.00 H new ATOM 0 HG2 MET A 16 1.812 10.854 -4.335 1.00 0.00 H new ATOM 0 HG3 MET A 16 0.107 11.098 -4.659 1.00 0.00 H new ATOM 0 HE1 MET A 16 1.519 12.224 -8.001 1.00 0.00 H new ATOM 0 HE2 MET A 16 1.999 10.854 -6.971 1.00 0.00 H new ATOM 0 HE3 MET A 16 0.281 11.288 -7.130 1.00 0.00 H new ATOM 263 N LYS A 17 -1.958 13.414 -1.240 1.00 0.00 N ATOM 264 CA LYS A 17 -2.457 13.714 0.074 1.00 0.00 C ATOM 265 C LYS A 17 -2.518 12.477 0.912 1.00 0.00 C ATOM 266 O LYS A 17 -2.629 12.552 2.143 1.00 0.00 O ATOM 267 CB LYS A 17 -3.860 14.314 0.000 1.00 0.00 C ATOM 268 CG LYS A 17 -3.976 15.596 -0.790 1.00 0.00 C ATOM 269 CD LYS A 17 -5.375 16.167 -0.657 1.00 0.00 C ATOM 270 CE LYS A 17 -5.518 17.469 -1.409 1.00 0.00 C ATOM 271 NZ LYS A 17 -6.854 18.075 -1.214 1.00 0.00 N ATOM 0 H LYS A 17 -2.678 13.148 -1.911 1.00 0.00 H new ATOM 0 HA LYS A 17 -1.773 14.433 0.524 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -4.530 13.575 -0.439 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -4.211 14.500 1.015 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -3.244 16.320 -0.432 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -3.750 15.407 -1.840 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -6.100 15.446 -1.035 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -5.604 16.327 0.396 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -4.750 18.167 -1.075 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -5.350 17.295 -2.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -6.912 18.967 -1.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -7.586 17.420 -1.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -7.005 18.265 -0.203 1.00 0.00 H new ATOM 285 N PHE A 18 -2.469 11.336 0.267 1.00 0.00 N ATOM 286 CA PHE A 18 -2.658 10.106 0.973 1.00 0.00 C ATOM 287 C PHE A 18 -1.638 9.082 0.561 1.00 0.00 C ATOM 288 O PHE A 18 -1.421 8.849 -0.623 1.00 0.00 O ATOM 289 CB PHE A 18 -4.066 9.551 0.704 1.00 0.00 C ATOM 290 CG PHE A 18 -5.184 10.530 0.964 1.00 0.00 C ATOM 291 CD1 PHE A 18 -5.629 10.778 2.246 1.00 0.00 C ATOM 292 CD2 PHE A 18 -5.792 11.192 -0.087 1.00 0.00 C ATOM 293 CE1 PHE A 18 -6.658 11.666 2.477 1.00 0.00 C ATOM 294 CE2 PHE A 18 -6.819 12.083 0.134 1.00 0.00 C ATOM 295 CZ PHE A 18 -7.255 12.319 1.420 1.00 0.00 C ATOM 0 H PHE A 18 -2.301 11.240 -0.735 1.00 0.00 H new ATOM 0 HA PHE A 18 -2.539 10.312 2.037 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -4.121 9.223 -0.334 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -4.220 8.669 1.326 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -5.166 10.270 3.079 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -5.456 11.008 -1.097 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -6.996 11.850 3.486 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -7.281 12.595 -0.697 1.00 0.00 H new ATOM 0 HZ PHE A 18 -8.062 13.014 1.599 1.00 0.00 H new ATOM 305 N CYS A 19 -1.024 8.493 1.513 1.00 0.00 N ATOM 306 CA CYS A 19 -0.149 7.398 1.290 1.00 0.00 C ATOM 307 C CYS A 19 -0.985 6.163 1.481 1.00 0.00 C ATOM 308 O CYS A 19 -1.901 6.162 2.310 1.00 0.00 O ATOM 309 CB CYS A 19 0.982 7.411 2.296 1.00 0.00 C ATOM 310 SG CYS A 19 1.923 8.959 2.330 1.00 0.00 S ATOM 0 H CYS A 19 -1.114 8.761 2.493 1.00 0.00 H new ATOM 0 HA CYS A 19 0.297 7.441 0.296 1.00 0.00 H new ATOM 0 HB2 CYS A 19 0.573 7.225 3.289 1.00 0.00 H new ATOM 0 HB3 CYS A 19 1.662 6.589 2.072 1.00 0.00 H new ATOM 315 N TYR A 20 -0.731 5.145 0.744 1.00 0.00 N ATOM 316 CA TYR A 20 -1.535 3.977 0.852 1.00 0.00 C ATOM 317 C TYR A 20 -0.712 2.749 1.065 1.00 0.00 C ATOM 318 O TYR A 20 0.482 2.718 0.741 1.00 0.00 O ATOM 319 CB TYR A 20 -2.496 3.821 -0.343 1.00 0.00 C ATOM 320 CG TYR A 20 -1.847 3.744 -1.714 1.00 0.00 C ATOM 321 CD1 TYR A 20 -1.567 4.891 -2.428 1.00 0.00 C ATOM 322 CD2 TYR A 20 -1.546 2.522 -2.303 1.00 0.00 C ATOM 323 CE1 TYR A 20 -1.005 4.832 -3.681 1.00 0.00 C ATOM 324 CE2 TYR A 20 -0.978 2.458 -3.558 1.00 0.00 C ATOM 325 CZ TYR A 20 -0.714 3.621 -4.240 1.00 0.00 C ATOM 326 OH TYR A 20 -0.160 3.573 -5.490 1.00 0.00 O ATOM 0 H TYR A 20 0.024 5.093 0.060 1.00 0.00 H new ATOM 0 HA TYR A 20 -2.153 4.105 1.741 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -3.088 2.918 -0.192 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -3.190 4.662 -0.338 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -1.794 5.854 -1.994 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -1.760 1.608 -1.769 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -0.794 5.742 -4.222 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -0.743 1.502 -4.001 1.00 0.00 H new ATOM 0 HH TYR A 20 -0.012 2.639 -5.746 1.00 0.00 H new ATOM 336 N HIS A 21 -1.335 1.774 1.641 1.00 0.00 N ATOM 337 CA HIS A 21 -0.762 0.504 1.888 1.00 0.00 C ATOM 338 C HIS A 21 -1.812 -0.546 1.568 1.00 0.00 C ATOM 339 O HIS A 21 -2.779 -0.725 2.311 1.00 0.00 O ATOM 340 CB HIS A 21 -0.289 0.395 3.358 1.00 0.00 C ATOM 341 CG HIS A 21 0.354 -0.919 3.716 1.00 0.00 C ATOM 342 ND1 HIS A 21 0.029 -1.653 4.833 1.00 0.00 N ATOM 343 CD2 HIS A 21 1.327 -1.617 3.084 1.00 0.00 C ATOM 344 CE1 HIS A 21 0.784 -2.745 4.851 1.00 0.00 C ATOM 345 NE2 HIS A 21 1.598 -2.779 3.804 1.00 0.00 N ATOM 0 H HIS A 21 -2.299 1.851 1.964 1.00 0.00 H new ATOM 0 HA HIS A 21 0.117 0.353 1.261 1.00 0.00 H new ATOM 0 HB2 HIS A 21 0.421 1.198 3.558 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -1.145 0.556 4.014 1.00 0.00 H new ATOM 0 HD2 HIS A 21 1.815 -1.320 2.168 1.00 0.00 H new ATOM 0 HE1 HIS A 21 0.741 -3.505 5.617 1.00 0.00 H new ATOM 0 HE2 HIS A 21 2.279 -3.503 3.574 1.00 0.00 H new ATOM 353 N ASN A 22 -1.664 -1.152 0.435 1.00 0.00 N ATOM 354 CA ASN A 22 -2.539 -2.212 -0.001 1.00 0.00 C ATOM 355 C ASN A 22 -1.758 -3.487 0.096 1.00 0.00 C ATOM 356 O ASN A 22 -0.950 -3.811 -0.784 1.00 0.00 O ATOM 357 CB ASN A 22 -3.010 -1.944 -1.433 1.00 0.00 C ATOM 358 CG ASN A 22 -3.909 -3.013 -2.013 1.00 0.00 C ATOM 359 OD1 ASN A 22 -3.446 -3.958 -2.653 1.00 0.00 O ATOM 360 ND2 ASN A 22 -5.186 -2.865 -1.814 1.00 0.00 N ATOM 0 H ASN A 22 -0.923 -0.927 -0.230 1.00 0.00 H new ATOM 0 HA ASN A 22 -3.434 -2.277 0.618 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -3.540 -0.992 -1.454 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -2.135 -1.837 -2.075 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -5.844 -3.546 -2.194 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -5.530 -2.068 -1.278 1.00 0.00 H new ATOM 367 N THR A 23 -1.938 -4.159 1.188 1.00 0.00 N ATOM 368 CA THR A 23 -1.135 -5.298 1.528 1.00 0.00 C ATOM 369 C THR A 23 -1.683 -6.612 0.976 1.00 0.00 C ATOM 370 O THR A 23 -2.880 -6.879 1.017 1.00 0.00 O ATOM 371 CB THR A 23 -0.868 -5.360 3.059 1.00 0.00 C ATOM 372 OG1 THR A 23 -0.101 -6.516 3.404 1.00 0.00 O ATOM 373 CG2 THR A 23 -2.162 -5.312 3.872 1.00 0.00 C ATOM 0 H THR A 23 -2.654 -3.933 1.879 1.00 0.00 H new ATOM 0 HA THR A 23 -0.174 -5.161 1.032 1.00 0.00 H new ATOM 0 HB THR A 23 -0.289 -4.473 3.313 1.00 0.00 H new ATOM 0 HG1 THR A 23 0.054 -6.529 4.372 1.00 0.00 H new ATOM 0 HG21 THR A 23 -1.926 -5.358 4.935 1.00 0.00 H new ATOM 0 HG22 THR A 23 -2.692 -4.384 3.658 1.00 0.00 H new ATOM 0 HG23 THR A 23 -2.792 -6.160 3.603 1.00 0.00 H new ATOM 381 N GLY A 24 -0.789 -7.415 0.450 1.00 0.00 N ATOM 382 CA GLY A 24 -1.163 -8.660 -0.141 1.00 0.00 C ATOM 383 C GLY A 24 -1.581 -9.680 0.872 1.00 0.00 C ATOM 384 O GLY A 24 -0.947 -9.819 1.930 1.00 0.00 O ATOM 0 H GLY A 24 0.211 -7.217 0.424 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -1.981 -8.493 -0.841 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -0.324 -9.050 -0.718 1.00 0.00 H new ATOM 388 N MET A 25 -2.662 -10.363 0.566 1.00 0.00 N ATOM 389 CA MET A 25 -3.170 -11.459 1.375 1.00 0.00 C ATOM 390 C MET A 25 -2.132 -12.579 1.408 1.00 0.00 C ATOM 391 O MET A 25 -1.278 -12.648 0.514 1.00 0.00 O ATOM 392 CB MET A 25 -4.499 -12.000 0.792 1.00 0.00 C ATOM 393 CG MET A 25 -5.680 -11.032 0.827 1.00 0.00 C ATOM 394 SD MET A 25 -5.470 -9.591 -0.247 1.00 0.00 S ATOM 395 CE MET A 25 -6.998 -8.726 0.093 1.00 0.00 C ATOM 0 H MET A 25 -3.224 -10.173 -0.264 1.00 0.00 H new ATOM 0 HA MET A 25 -3.359 -11.095 2.385 1.00 0.00 H new ATOM 0 HB2 MET A 25 -4.327 -12.297 -0.243 1.00 0.00 H new ATOM 0 HB3 MET A 25 -4.775 -12.901 1.340 1.00 0.00 H new ATOM 0 HG2 MET A 25 -6.584 -11.565 0.533 1.00 0.00 H new ATOM 0 HG3 MET A 25 -5.830 -10.692 1.852 1.00 0.00 H new ATOM 0 HE1 MET A 25 -7.033 -7.807 -0.491 1.00 0.00 H new ATOM 0 HE2 MET A 25 -7.843 -9.360 -0.176 1.00 0.00 H new ATOM 0 HE3 MET A 25 -7.050 -8.483 1.154 1.00 0.00 H new ATOM 405 N PRO A 26 -2.144 -13.436 2.440 1.00 0.00 N ATOM 406 CA PRO A 26 -1.198 -14.552 2.562 1.00 0.00 C ATOM 407 C PRO A 26 -1.244 -15.519 1.374 1.00 0.00 C ATOM 408 O PRO A 26 -2.221 -16.244 1.169 1.00 0.00 O ATOM 409 CB PRO A 26 -1.626 -15.267 3.854 1.00 0.00 C ATOM 410 CG PRO A 26 -3.015 -14.793 4.105 1.00 0.00 C ATOM 411 CD PRO A 26 -3.056 -13.387 3.598 1.00 0.00 C ATOM 0 HA PRO A 26 -0.170 -14.190 2.581 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -1.592 -16.350 3.737 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -0.965 -15.015 4.684 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -3.742 -15.418 3.587 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -3.258 -14.834 5.167 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -4.064 -13.090 3.308 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -2.718 -12.675 4.351 1.00 0.00 H new ATOM 419 N PHE A 27 -0.219 -15.456 0.574 1.00 0.00 N ATOM 420 CA PHE A 27 -0.017 -16.348 -0.533 1.00 0.00 C ATOM 421 C PHE A 27 1.405 -16.831 -0.459 1.00 0.00 C ATOM 422 O PHE A 27 2.302 -16.060 -0.064 1.00 0.00 O ATOM 423 CB PHE A 27 -0.250 -15.657 -1.885 1.00 0.00 C ATOM 424 CG PHE A 27 -1.677 -15.280 -2.199 1.00 0.00 C ATOM 425 CD1 PHE A 27 -2.594 -16.247 -2.580 1.00 0.00 C ATOM 426 CD2 PHE A 27 -2.091 -13.960 -2.146 1.00 0.00 C ATOM 427 CE1 PHE A 27 -3.893 -15.902 -2.897 1.00 0.00 C ATOM 428 CE2 PHE A 27 -3.391 -13.611 -2.457 1.00 0.00 C ATOM 429 CZ PHE A 27 -4.292 -14.583 -2.835 1.00 0.00 C ATOM 0 H PHE A 27 0.522 -14.762 0.676 1.00 0.00 H new ATOM 0 HA PHE A 27 -0.732 -17.168 -0.467 1.00 0.00 H new ATOM 0 HB2 PHE A 27 0.359 -14.754 -1.918 1.00 0.00 H new ATOM 0 HB3 PHE A 27 0.113 -16.315 -2.674 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -2.289 -17.282 -2.630 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -1.388 -13.193 -1.858 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -4.597 -16.665 -3.194 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -3.701 -12.578 -2.404 1.00 0.00 H new ATOM 0 HZ PHE A 27 -5.308 -14.313 -3.082 1.00 0.00 H new ATOM 439 N ARG A 28 1.635 -18.073 -0.810 1.00 0.00 N ATOM 440 CA ARG A 28 2.968 -18.618 -0.757 1.00 0.00 C ATOM 441 C ARG A 28 3.824 -18.022 -1.848 1.00 0.00 C ATOM 442 O ARG A 28 3.530 -18.180 -3.033 1.00 0.00 O ATOM 443 CB ARG A 28 2.977 -20.144 -0.830 1.00 0.00 C ATOM 444 CG ARG A 28 2.311 -20.823 0.356 1.00 0.00 C ATOM 445 CD ARG A 28 2.534 -22.323 0.335 1.00 0.00 C ATOM 446 NE ARG A 28 3.967 -22.667 0.348 1.00 0.00 N ATOM 447 CZ ARG A 28 4.506 -23.747 0.920 1.00 0.00 C ATOM 448 NH1 ARG A 28 3.754 -24.579 1.624 1.00 0.00 N ATOM 449 NH2 ARG A 28 5.809 -23.977 0.793 1.00 0.00 N ATOM 0 H ARG A 28 0.919 -18.723 -1.134 1.00 0.00 H new ATOM 0 HA ARG A 28 3.390 -18.347 0.211 1.00 0.00 H new ATOM 0 HB2 ARG A 28 2.473 -20.457 -1.745 1.00 0.00 H new ATOM 0 HB3 ARG A 28 4.009 -20.488 -0.900 1.00 0.00 H new ATOM 0 HG2 ARG A 28 2.706 -20.408 1.283 1.00 0.00 H new ATOM 0 HG3 ARG A 28 1.242 -20.613 0.343 1.00 0.00 H new ATOM 0 HD2 ARG A 28 2.045 -22.775 1.198 1.00 0.00 H new ATOM 0 HD3 ARG A 28 2.067 -22.747 -0.554 1.00 0.00 H new ATOM 0 HE ARG A 28 4.604 -22.023 -0.122 1.00 0.00 H new ATOM 0 HH11 ARG A 28 2.756 -24.397 1.732 1.00 0.00 H new ATOM 0 HH12 ARG A 28 4.173 -25.402 2.058 1.00 0.00 H new ATOM 0 HH21 ARG A 28 6.392 -23.330 0.261 1.00 0.00 H new ATOM 0 HH22 ARG A 28 6.226 -24.800 1.228 1.00 0.00 H new ATOM 463 N ASN A 29 4.849 -17.287 -1.422 1.00 0.00 N ATOM 464 CA ASN A 29 5.825 -16.601 -2.294 1.00 0.00 C ATOM 465 C ASN A 29 5.251 -15.391 -3.011 1.00 0.00 C ATOM 466 O ASN A 29 5.977 -14.676 -3.687 1.00 0.00 O ATOM 467 CB ASN A 29 6.472 -17.534 -3.328 1.00 0.00 C ATOM 468 CG ASN A 29 7.418 -18.570 -2.762 1.00 0.00 C ATOM 469 OD1 ASN A 29 7.254 -19.055 -1.641 1.00 0.00 O ATOM 470 ND2 ASN A 29 8.421 -18.910 -3.528 1.00 0.00 N ATOM 0 H ASN A 29 5.037 -17.142 -0.430 1.00 0.00 H new ATOM 0 HA ASN A 29 6.594 -16.258 -1.602 1.00 0.00 H new ATOM 0 HB2 ASN A 29 5.681 -18.048 -3.874 1.00 0.00 H new ATOM 0 HB3 ASN A 29 7.016 -16.926 -4.051 1.00 0.00 H new ATOM 0 HD21 ASN A 29 9.100 -19.598 -3.203 1.00 0.00 H new ATOM 0 HD22 ASN A 29 8.524 -18.487 -4.450 1.00 0.00 H new ATOM 477 N LEU A 30 3.983 -15.129 -2.852 1.00 0.00 N ATOM 478 CA LEU A 30 3.376 -14.026 -3.555 1.00 0.00 C ATOM 479 C LEU A 30 2.842 -13.011 -2.577 1.00 0.00 C ATOM 480 O LEU A 30 2.007 -13.327 -1.734 1.00 0.00 O ATOM 481 CB LEU A 30 2.235 -14.508 -4.465 1.00 0.00 C ATOM 482 CG LEU A 30 1.607 -13.450 -5.387 1.00 0.00 C ATOM 483 CD1 LEU A 30 2.598 -12.988 -6.440 1.00 0.00 C ATOM 484 CD2 LEU A 30 0.339 -13.981 -6.037 1.00 0.00 C ATOM 0 H LEU A 30 3.352 -15.657 -2.248 1.00 0.00 H new ATOM 0 HA LEU A 30 4.145 -13.565 -4.175 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.612 -15.322 -5.085 1.00 0.00 H new ATOM 0 HB3 LEU A 30 1.448 -14.924 -3.836 1.00 0.00 H new ATOM 0 HG LEU A 30 1.340 -12.589 -4.774 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.128 -12.240 -7.079 1.00 0.00 H new ATOM 0 HD12 LEU A 30 3.470 -12.553 -5.953 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.908 -13.839 -7.046 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -0.087 -13.214 -6.684 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.576 -14.865 -6.629 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.383 -14.245 -5.264 1.00 0.00 H new ATOM 496 N LYS A 31 3.329 -11.815 -2.666 1.00 0.00 N ATOM 497 CA LYS A 31 2.821 -10.745 -1.868 1.00 0.00 C ATOM 498 C LYS A 31 2.645 -9.524 -2.731 1.00 0.00 C ATOM 499 O LYS A 31 3.564 -8.732 -2.936 1.00 0.00 O ATOM 500 CB LYS A 31 3.630 -10.462 -0.556 1.00 0.00 C ATOM 501 CG LYS A 31 5.091 -10.001 -0.691 1.00 0.00 C ATOM 502 CD LYS A 31 6.017 -11.072 -1.236 1.00 0.00 C ATOM 503 CE LYS A 31 7.463 -10.599 -1.221 1.00 0.00 C ATOM 504 NZ LYS A 31 7.941 -10.312 0.156 1.00 0.00 N ATOM 0 H LYS A 31 4.089 -11.552 -3.293 1.00 0.00 H new ATOM 0 HA LYS A 31 1.848 -11.057 -1.488 1.00 0.00 H new ATOM 0 HB2 LYS A 31 3.092 -9.702 0.010 1.00 0.00 H new ATOM 0 HB3 LYS A 31 3.622 -11.372 0.044 1.00 0.00 H new ATOM 0 HG2 LYS A 31 5.130 -9.131 -1.346 1.00 0.00 H new ATOM 0 HG3 LYS A 31 5.454 -9.681 0.286 1.00 0.00 H new ATOM 0 HD2 LYS A 31 5.921 -11.979 -0.640 1.00 0.00 H new ATOM 0 HD3 LYS A 31 5.724 -11.327 -2.254 1.00 0.00 H new ATOM 0 HE2 LYS A 31 8.098 -11.360 -1.674 1.00 0.00 H new ATOM 0 HE3 LYS A 31 7.557 -9.701 -1.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 8.981 -10.325 0.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 7.602 -9.375 0.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 7.575 -11.035 0.808 1.00 0.00 H new ATOM 518 N LEU A 32 1.487 -9.421 -3.310 1.00 0.00 N ATOM 519 CA LEU A 32 1.177 -8.316 -4.165 1.00 0.00 C ATOM 520 C LEU A 32 0.898 -7.106 -3.285 1.00 0.00 C ATOM 521 O LEU A 32 -0.117 -7.016 -2.607 1.00 0.00 O ATOM 522 CB LEU A 32 0.003 -8.655 -5.142 1.00 0.00 C ATOM 523 CG LEU A 32 -1.432 -8.863 -4.572 1.00 0.00 C ATOM 524 CD1 LEU A 32 -2.417 -9.053 -5.703 1.00 0.00 C ATOM 525 CD2 LEU A 32 -1.510 -10.051 -3.621 1.00 0.00 C ATOM 0 H LEU A 32 0.732 -10.099 -3.203 1.00 0.00 H new ATOM 0 HA LEU A 32 2.022 -8.088 -4.815 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.051 -7.853 -5.879 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.276 -9.563 -5.679 1.00 0.00 H new ATOM 0 HG LEU A 32 -1.685 -7.968 -4.004 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -3.417 -9.198 -5.294 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -2.411 -8.171 -6.343 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.134 -9.928 -6.288 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.530 -10.154 -3.251 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.222 -10.960 -4.150 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.834 -9.890 -2.781 1.00 0.00 H new ATOM 537 N ILE A 33 1.830 -6.221 -3.273 1.00 0.00 N ATOM 538 CA ILE A 33 1.818 -5.115 -2.360 1.00 0.00 C ATOM 539 C ILE A 33 1.825 -3.788 -3.106 1.00 0.00 C ATOM 540 O ILE A 33 2.732 -3.499 -3.886 1.00 0.00 O ATOM 541 CB ILE A 33 3.035 -5.221 -1.355 1.00 0.00 C ATOM 542 CG1 ILE A 33 3.095 -4.049 -0.390 1.00 0.00 C ATOM 543 CG2 ILE A 33 4.373 -5.384 -2.062 1.00 0.00 C ATOM 544 CD1 ILE A 33 1.963 -3.997 0.583 1.00 0.00 C ATOM 0 H ILE A 33 2.634 -6.237 -3.900 1.00 0.00 H new ATOM 0 HA ILE A 33 0.896 -5.155 -1.781 1.00 0.00 H new ATOM 0 HB ILE A 33 2.850 -6.128 -0.779 1.00 0.00 H new ATOM 0 HG12 ILE A 33 4.033 -4.096 0.163 1.00 0.00 H new ATOM 0 HG13 ILE A 33 3.110 -3.122 -0.963 1.00 0.00 H new ATOM 0 HG21 ILE A 33 5.170 -5.451 -1.321 1.00 0.00 H new ATOM 0 HG22 ILE A 33 4.359 -6.293 -2.663 1.00 0.00 H new ATOM 0 HG23 ILE A 33 4.550 -4.524 -2.708 1.00 0.00 H new ATOM 0 HD11 ILE A 33 2.083 -3.131 1.234 1.00 0.00 H new ATOM 0 HD12 ILE A 33 1.021 -3.916 0.041 1.00 0.00 H new ATOM 0 HD13 ILE A 33 1.958 -4.906 1.185 1.00 0.00 H new ATOM 556 N LEU A 34 0.800 -3.014 -2.907 1.00 0.00 N ATOM 557 CA LEU A 34 0.728 -1.711 -3.514 1.00 0.00 C ATOM 558 C LEU A 34 0.745 -0.673 -2.420 1.00 0.00 C ATOM 559 O LEU A 34 -0.256 -0.431 -1.769 1.00 0.00 O ATOM 560 CB LEU A 34 -0.529 -1.542 -4.384 1.00 0.00 C ATOM 561 CG LEU A 34 -0.730 -2.544 -5.519 1.00 0.00 C ATOM 562 CD1 LEU A 34 -2.033 -2.256 -6.236 1.00 0.00 C ATOM 563 CD2 LEU A 34 0.431 -2.497 -6.497 1.00 0.00 C ATOM 0 H LEU A 34 -0.002 -3.260 -2.327 1.00 0.00 H new ATOM 0 HA LEU A 34 1.587 -1.589 -4.174 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.401 -1.591 -3.732 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -0.509 -0.541 -4.816 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.771 -3.546 -5.092 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.170 -2.974 -7.044 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.861 -2.339 -5.533 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -2.006 -1.247 -6.648 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.264 -3.220 -7.296 1.00 0.00 H new ATOM 0 HD22 LEU A 34 0.508 -1.497 -6.923 1.00 0.00 H new ATOM 0 HD23 LEU A 34 1.356 -2.741 -5.975 1.00 0.00 H new ATOM 575 N GLN A 35 1.874 -0.118 -2.172 1.00 0.00 N ATOM 576 CA GLN A 35 2.004 0.873 -1.145 1.00 0.00 C ATOM 577 C GLN A 35 2.731 2.077 -1.674 1.00 0.00 C ATOM 578 O GLN A 35 3.918 2.035 -1.929 1.00 0.00 O ATOM 579 CB GLN A 35 2.654 0.291 0.120 1.00 0.00 C ATOM 580 CG GLN A 35 3.940 -0.447 -0.144 1.00 0.00 C ATOM 581 CD GLN A 35 4.611 -1.034 1.097 1.00 0.00 C ATOM 582 OE1 GLN A 35 5.299 -2.066 1.022 1.00 0.00 O ATOM 583 NE2 GLN A 35 4.446 -0.404 2.228 1.00 0.00 N ATOM 0 H GLN A 35 2.739 -0.331 -2.669 1.00 0.00 H new ATOM 0 HA GLN A 35 1.009 1.201 -0.846 1.00 0.00 H new ATOM 0 HB2 GLN A 35 2.848 1.101 0.823 1.00 0.00 H new ATOM 0 HB3 GLN A 35 1.949 -0.387 0.601 1.00 0.00 H new ATOM 0 HG2 GLN A 35 3.740 -1.255 -0.848 1.00 0.00 H new ATOM 0 HG3 GLN A 35 4.639 0.233 -0.630 1.00 0.00 H new ATOM 0 HE21 GLN A 35 3.876 0.441 2.263 1.00 0.00 H new ATOM 0 HE22 GLN A 35 4.887 -0.757 3.077 1.00 0.00 H new ATOM 592 N GLY A 36 2.003 3.111 -1.930 1.00 0.00 N ATOM 593 CA GLY A 36 2.604 4.292 -2.437 1.00 0.00 C ATOM 594 C GLY A 36 1.942 5.522 -1.931 1.00 0.00 C ATOM 595 O GLY A 36 1.473 5.554 -0.799 1.00 0.00 O ATOM 0 H GLY A 36 0.993 3.160 -1.796 1.00 0.00 H new ATOM 0 HA2 GLY A 36 3.658 4.309 -2.160 1.00 0.00 H new ATOM 0 HA3 GLY A 36 2.561 4.280 -3.526 1.00 0.00 H new ATOM 599 N CYS A 37 1.872 6.514 -2.766 1.00 0.00 N ATOM 600 CA CYS A 37 1.239 7.759 -2.435 1.00 0.00 C ATOM 601 C CYS A 37 0.308 8.144 -3.560 1.00 0.00 C ATOM 602 O CYS A 37 0.672 8.061 -4.728 1.00 0.00 O ATOM 603 CB CYS A 37 2.277 8.852 -2.203 1.00 0.00 C ATOM 604 SG CYS A 37 3.461 8.505 -0.871 1.00 0.00 S ATOM 0 H CYS A 37 2.258 6.483 -3.710 1.00 0.00 H new ATOM 0 HA CYS A 37 0.672 7.642 -1.511 1.00 0.00 H new ATOM 0 HB2 CYS A 37 2.829 9.012 -3.129 1.00 0.00 H new ATOM 0 HB3 CYS A 37 1.759 9.784 -1.976 1.00 0.00 H new ATOM 609 N SER A 38 -0.878 8.533 -3.227 1.00 0.00 N ATOM 610 CA SER A 38 -1.853 8.882 -4.207 1.00 0.00 C ATOM 611 C SER A 38 -2.476 10.220 -3.853 1.00 0.00 C ATOM 612 O SER A 38 -2.350 10.713 -2.715 1.00 0.00 O ATOM 613 CB SER A 38 -2.924 7.782 -4.301 1.00 0.00 C ATOM 614 OG SER A 38 -3.877 8.039 -5.326 1.00 0.00 O ATOM 0 H SER A 38 -1.200 8.618 -2.263 1.00 0.00 H new ATOM 0 HA SER A 38 -1.373 8.971 -5.182 1.00 0.00 H new ATOM 0 HB2 SER A 38 -2.441 6.823 -4.490 1.00 0.00 H new ATOM 0 HB3 SER A 38 -3.438 7.697 -3.344 1.00 0.00 H new ATOM 0 HG SER A 38 -4.536 7.314 -5.349 1.00 0.00 H new ATOM 620 N SER A 39 -3.125 10.802 -4.813 1.00 0.00 N ATOM 621 CA SER A 39 -3.787 12.054 -4.663 1.00 0.00 C ATOM 622 C SER A 39 -5.171 11.827 -4.024 1.00 0.00 C ATOM 623 O SER A 39 -5.811 12.757 -3.519 1.00 0.00 O ATOM 624 CB SER A 39 -3.895 12.727 -6.049 1.00 0.00 C ATOM 625 OG SER A 39 -4.449 14.030 -5.969 1.00 0.00 O ATOM 0 H SER A 39 -3.209 10.405 -5.749 1.00 0.00 H new ATOM 0 HA SER A 39 -3.224 12.715 -4.005 1.00 0.00 H new ATOM 0 HB2 SER A 39 -2.905 12.782 -6.503 1.00 0.00 H new ATOM 0 HB3 SER A 39 -4.512 12.111 -6.703 1.00 0.00 H new ATOM 0 HG SER A 39 -3.901 14.582 -5.373 1.00 0.00 H new ATOM 631 N SER A 40 -5.613 10.590 -4.026 1.00 0.00 N ATOM 632 CA SER A 40 -6.887 10.229 -3.465 1.00 0.00 C ATOM 633 C SER A 40 -6.752 8.886 -2.746 1.00 0.00 C ATOM 634 O SER A 40 -5.758 8.188 -2.928 1.00 0.00 O ATOM 635 CB SER A 40 -7.931 10.154 -4.585 1.00 0.00 C ATOM 636 OG SER A 40 -7.986 11.395 -5.301 1.00 0.00 O ATOM 0 H SER A 40 -5.094 9.805 -4.420 1.00 0.00 H new ATOM 0 HA SER A 40 -7.212 10.979 -2.744 1.00 0.00 H new ATOM 0 HB2 SER A 40 -7.682 9.343 -5.269 1.00 0.00 H new ATOM 0 HB3 SER A 40 -8.910 9.926 -4.164 1.00 0.00 H new ATOM 0 HG SER A 40 -8.656 11.332 -6.014 1.00 0.00 H new ATOM 642 N CYS A 41 -7.703 8.547 -1.924 1.00 0.00 N ATOM 643 CA CYS A 41 -7.667 7.290 -1.220 1.00 0.00 C ATOM 644 C CYS A 41 -8.515 6.273 -1.955 1.00 0.00 C ATOM 645 O CYS A 41 -9.651 6.563 -2.339 1.00 0.00 O ATOM 646 CB CYS A 41 -8.163 7.459 0.231 1.00 0.00 C ATOM 647 SG CYS A 41 -8.276 5.894 1.182 1.00 0.00 S ATOM 0 H CYS A 41 -8.519 9.125 -1.722 1.00 0.00 H new ATOM 0 HA CYS A 41 -6.636 6.937 -1.182 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -7.492 8.140 0.754 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -9.145 7.931 0.213 1.00 0.00 H new ATOM 652 N SER A 42 -7.956 5.121 -2.213 1.00 0.00 N ATOM 653 CA SER A 42 -8.687 4.060 -2.822 1.00 0.00 C ATOM 654 C SER A 42 -9.538 3.412 -1.760 1.00 0.00 C ATOM 655 O SER A 42 -9.034 2.713 -0.861 1.00 0.00 O ATOM 656 CB SER A 42 -7.737 3.051 -3.459 1.00 0.00 C ATOM 657 OG SER A 42 -8.420 1.999 -4.134 1.00 0.00 O ATOM 0 H SER A 42 -6.982 4.899 -2.005 1.00 0.00 H new ATOM 0 HA SER A 42 -9.324 4.447 -3.618 1.00 0.00 H new ATOM 0 HB2 SER A 42 -7.086 3.567 -4.165 1.00 0.00 H new ATOM 0 HB3 SER A 42 -7.096 2.625 -2.687 1.00 0.00 H new ATOM 0 HG SER A 42 -7.766 1.382 -4.525 1.00 0.00 H new ATOM 663 N GLU A 43 -10.798 3.690 -1.829 1.00 0.00 N ATOM 664 CA GLU A 43 -11.728 3.194 -0.866 1.00 0.00 C ATOM 665 C GLU A 43 -12.074 1.746 -1.151 1.00 0.00 C ATOM 666 O GLU A 43 -12.631 1.397 -2.200 1.00 0.00 O ATOM 667 CB GLU A 43 -12.972 4.084 -0.751 1.00 0.00 C ATOM 668 CG GLU A 43 -13.722 4.288 -2.043 1.00 0.00 C ATOM 669 CD GLU A 43 -14.978 5.082 -1.851 1.00 0.00 C ATOM 670 OE1 GLU A 43 -16.026 4.490 -1.546 1.00 0.00 O ATOM 671 OE2 GLU A 43 -14.942 6.330 -1.967 1.00 0.00 O ATOM 0 H GLU A 43 -11.214 4.270 -2.558 1.00 0.00 H new ATOM 0 HA GLU A 43 -11.247 3.228 0.111 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -13.650 3.645 -0.019 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -12.671 5.057 -0.364 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -13.077 4.799 -2.758 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -13.970 3.318 -2.474 1.00 0.00 H new ATOM 678 N THR A 44 -11.675 0.925 -0.246 1.00 0.00 N ATOM 679 CA THR A 44 -11.869 -0.480 -0.284 1.00 0.00 C ATOM 680 C THR A 44 -11.387 -1.010 1.067 1.00 0.00 C ATOM 681 O THR A 44 -11.041 -0.199 1.949 1.00 0.00 O ATOM 682 CB THR A 44 -11.123 -1.135 -1.507 1.00 0.00 C ATOM 683 OG1 THR A 44 -11.412 -2.529 -1.601 1.00 0.00 O ATOM 684 CG2 THR A 44 -9.622 -0.931 -1.433 1.00 0.00 C ATOM 0 H THR A 44 -11.176 1.234 0.588 1.00 0.00 H new ATOM 0 HA THR A 44 -12.917 -0.738 -0.436 1.00 0.00 H new ATOM 0 HB THR A 44 -11.492 -0.633 -2.401 1.00 0.00 H new ATOM 0 HG1 THR A 44 -10.938 -2.910 -2.369 1.00 0.00 H new ATOM 0 HG21 THR A 44 -9.148 -1.399 -2.296 1.00 0.00 H new ATOM 0 HG22 THR A 44 -9.399 0.136 -1.431 1.00 0.00 H new ATOM 0 HG23 THR A 44 -9.238 -1.383 -0.519 1.00 0.00 H new ATOM 692 N GLU A 45 -11.358 -2.301 1.254 1.00 0.00 N ATOM 693 CA GLU A 45 -11.010 -2.851 2.549 1.00 0.00 C ATOM 694 C GLU A 45 -9.513 -3.015 2.711 1.00 0.00 C ATOM 695 O GLU A 45 -8.951 -2.673 3.749 1.00 0.00 O ATOM 696 CB GLU A 45 -11.750 -4.189 2.846 1.00 0.00 C ATOM 697 CG GLU A 45 -11.370 -5.410 1.978 1.00 0.00 C ATOM 698 CD GLU A 45 -11.575 -5.199 0.501 1.00 0.00 C ATOM 699 OE1 GLU A 45 -12.740 -5.212 0.039 1.00 0.00 O ATOM 700 OE2 GLU A 45 -10.579 -4.978 -0.220 1.00 0.00 O ATOM 0 H GLU A 45 -11.569 -2.994 0.535 1.00 0.00 H new ATOM 0 HA GLU A 45 -11.348 -2.123 3.287 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -11.575 -4.448 3.890 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -12.820 -4.015 2.736 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -10.324 -5.659 2.157 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -11.961 -6.268 2.298 1.00 0.00 H new ATOM 707 N ASN A 46 -8.868 -3.496 1.677 1.00 0.00 N ATOM 708 CA ASN A 46 -7.461 -3.833 1.760 1.00 0.00 C ATOM 709 C ASN A 46 -6.540 -2.617 1.649 1.00 0.00 C ATOM 710 O ASN A 46 -5.436 -2.612 2.189 1.00 0.00 O ATOM 711 CB ASN A 46 -7.103 -4.867 0.698 1.00 0.00 C ATOM 712 CG ASN A 46 -5.700 -5.404 0.861 1.00 0.00 C ATOM 713 OD1 ASN A 46 -5.176 -5.478 1.977 1.00 0.00 O ATOM 714 ND2 ASN A 46 -5.086 -5.795 -0.221 1.00 0.00 N ATOM 0 H ASN A 46 -9.292 -3.665 0.765 1.00 0.00 H new ATOM 0 HA ASN A 46 -7.300 -4.253 2.753 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -7.812 -5.693 0.747 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -7.204 -4.418 -0.290 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -4.142 -6.177 -0.162 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -5.550 -5.719 -1.126 1.00 0.00 H new ATOM 721 N ASN A 47 -6.986 -1.581 0.983 1.00 0.00 N ATOM 722 CA ASN A 47 -6.136 -0.436 0.777 1.00 0.00 C ATOM 723 C ASN A 47 -6.311 0.546 1.885 1.00 0.00 C ATOM 724 O ASN A 47 -7.349 1.200 1.989 1.00 0.00 O ATOM 725 CB ASN A 47 -6.417 0.220 -0.565 1.00 0.00 C ATOM 726 CG ASN A 47 -5.588 1.459 -0.811 1.00 0.00 C ATOM 727 OD1 ASN A 47 -4.479 1.382 -1.330 1.00 0.00 O ATOM 728 ND2 ASN A 47 -6.127 2.599 -0.485 1.00 0.00 N ATOM 0 H ASN A 47 -7.920 -1.507 0.579 1.00 0.00 H new ATOM 0 HA ASN A 47 -5.101 -0.779 0.773 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -6.226 -0.500 -1.361 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -7.474 0.482 -0.619 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -5.624 3.469 -0.660 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -7.052 2.622 -0.055 1.00 0.00 H new ATOM 735 N LYS A 48 -5.332 0.625 2.724 1.00 0.00 N ATOM 736 CA LYS A 48 -5.360 1.554 3.814 1.00 0.00 C ATOM 737 C LYS A 48 -4.712 2.829 3.358 1.00 0.00 C ATOM 738 O LYS A 48 -3.774 2.796 2.567 1.00 0.00 O ATOM 739 CB LYS A 48 -4.616 1.006 5.033 1.00 0.00 C ATOM 740 CG LYS A 48 -5.083 -0.357 5.502 1.00 0.00 C ATOM 741 CD LYS A 48 -6.583 -0.419 5.742 1.00 0.00 C ATOM 742 CE LYS A 48 -6.990 -1.787 6.261 1.00 0.00 C ATOM 743 NZ LYS A 48 -8.452 -1.941 6.341 1.00 0.00 N ATOM 0 H LYS A 48 -4.490 0.051 2.677 1.00 0.00 H new ATOM 0 HA LYS A 48 -6.395 1.728 4.110 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -3.553 0.949 4.797 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -4.723 1.714 5.855 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.808 -1.105 4.759 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -4.562 -0.617 6.423 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -6.873 0.348 6.460 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.113 -0.204 4.814 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -6.581 -2.558 5.608 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -6.556 -1.943 7.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -8.694 -2.541 7.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -8.894 -1.007 6.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -8.803 -2.384 5.468 1.00 0.00 H new ATOM 757 N CYS A 49 -5.198 3.930 3.824 1.00 0.00 N ATOM 758 CA CYS A 49 -4.640 5.206 3.435 1.00 0.00 C ATOM 759 C CYS A 49 -4.400 6.086 4.641 1.00 0.00 C ATOM 760 O CYS A 49 -5.222 6.155 5.565 1.00 0.00 O ATOM 761 CB CYS A 49 -5.495 5.909 2.376 1.00 0.00 C ATOM 762 SG CYS A 49 -7.214 6.232 2.873 1.00 0.00 S ATOM 0 H CYS A 49 -5.981 3.985 4.476 1.00 0.00 H new ATOM 0 HA CYS A 49 -3.672 5.011 2.973 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -5.022 6.857 2.118 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -5.502 5.300 1.472 1.00 0.00 H new ATOM 767 N CYS A 50 -3.274 6.710 4.653 1.00 0.00 N ATOM 768 CA CYS A 50 -2.836 7.527 5.745 1.00 0.00 C ATOM 769 C CYS A 50 -2.153 8.770 5.189 1.00 0.00 C ATOM 770 O CYS A 50 -1.723 8.761 4.051 1.00 0.00 O ATOM 771 CB CYS A 50 -1.908 6.713 6.606 1.00 0.00 C ATOM 772 SG CYS A 50 -0.566 5.954 5.663 1.00 0.00 S ATOM 0 H CYS A 50 -2.607 6.669 3.882 1.00 0.00 H new ATOM 0 HA CYS A 50 -3.675 7.853 6.359 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -1.485 7.352 7.382 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -2.478 5.933 7.111 1.00 0.00 H new ATOM 777 N SER A 51 -2.080 9.830 5.938 1.00 0.00 N ATOM 778 CA SER A 51 -1.545 11.058 5.399 1.00 0.00 C ATOM 779 C SER A 51 -0.373 11.623 6.231 1.00 0.00 C ATOM 780 O SER A 51 -0.294 12.843 6.461 1.00 0.00 O ATOM 781 CB SER A 51 -2.685 12.058 5.308 1.00 0.00 C ATOM 782 OG SER A 51 -3.743 11.536 4.516 1.00 0.00 O ATOM 0 H SER A 51 -2.378 9.877 6.912 1.00 0.00 H new ATOM 0 HA SER A 51 -1.126 10.857 4.413 1.00 0.00 H new ATOM 0 HB2 SER A 51 -3.052 12.292 6.307 1.00 0.00 H new ATOM 0 HB3 SER A 51 -2.325 12.991 4.875 1.00 0.00 H new ATOM 0 HG SER A 51 -3.575 11.738 3.572 1.00 0.00 H new ATOM 788 N THR A 52 0.562 10.775 6.625 1.00 0.00 N ATOM 789 CA THR A 52 1.688 11.247 7.392 1.00 0.00 C ATOM 790 C THR A 52 2.950 10.440 7.104 1.00 0.00 C ATOM 791 O THR A 52 2.897 9.356 6.526 1.00 0.00 O ATOM 792 CB THR A 52 1.387 11.321 8.925 1.00 0.00 C ATOM 793 OG1 THR A 52 2.489 11.906 9.646 1.00 0.00 O ATOM 794 CG2 THR A 52 1.062 9.956 9.512 1.00 0.00 C ATOM 0 H THR A 52 0.560 9.774 6.428 1.00 0.00 H new ATOM 0 HA THR A 52 1.873 12.270 7.064 1.00 0.00 H new ATOM 0 HB THR A 52 0.509 11.957 9.036 1.00 0.00 H new ATOM 0 HG1 THR A 52 2.273 11.941 10.601 1.00 0.00 H new ATOM 0 HG21 THR A 52 0.860 10.057 10.578 1.00 0.00 H new ATOM 0 HG22 THR A 52 0.184 9.545 9.014 1.00 0.00 H new ATOM 0 HG23 THR A 52 1.909 9.286 9.365 1.00 0.00 H new ATOM 802 N ASP A 53 4.057 10.989 7.526 1.00 0.00 N ATOM 803 CA ASP A 53 5.395 10.427 7.301 1.00 0.00 C ATOM 804 C ASP A 53 5.514 8.974 7.735 1.00 0.00 C ATOM 805 O ASP A 53 5.237 8.628 8.904 1.00 0.00 O ATOM 806 CB ASP A 53 6.470 11.304 7.980 1.00 0.00 C ATOM 807 CG ASP A 53 7.761 10.568 8.310 1.00 0.00 C ATOM 808 OD1 ASP A 53 8.580 10.334 7.424 1.00 0.00 O ATOM 809 OD2 ASP A 53 7.981 10.238 9.506 1.00 0.00 O ATOM 0 H ASP A 53 4.072 11.863 8.051 1.00 0.00 H new ATOM 0 HA ASP A 53 5.563 10.433 6.224 1.00 0.00 H new ATOM 0 HB2 ASP A 53 6.702 12.145 7.327 1.00 0.00 H new ATOM 0 HB3 ASP A 53 6.057 11.719 8.899 1.00 0.00 H new ATOM 814 N ARG A 54 5.874 8.129 6.756 1.00 0.00 N ATOM 815 CA ARG A 54 6.140 6.699 6.938 1.00 0.00 C ATOM 816 C ARG A 54 4.943 5.919 7.464 1.00 0.00 C ATOM 817 O ARG A 54 5.108 4.825 7.980 1.00 0.00 O ATOM 818 CB ARG A 54 7.302 6.519 7.892 1.00 0.00 C ATOM 819 CG ARG A 54 8.615 7.073 7.404 1.00 0.00 C ATOM 820 CD ARG A 54 9.610 7.018 8.530 1.00 0.00 C ATOM 821 NE ARG A 54 9.106 7.807 9.652 1.00 0.00 N ATOM 822 CZ ARG A 54 9.048 7.422 10.917 1.00 0.00 C ATOM 823 NH1 ARG A 54 9.670 6.326 11.322 1.00 0.00 N ATOM 824 NH2 ARG A 54 8.377 8.167 11.786 1.00 0.00 N ATOM 0 H ARG A 54 5.991 8.434 5.790 1.00 0.00 H new ATOM 0 HA ARG A 54 6.372 6.300 5.951 1.00 0.00 H new ATOM 0 HB2 ARG A 54 7.053 6.997 8.840 1.00 0.00 H new ATOM 0 HB3 ARG A 54 7.426 5.455 8.094 1.00 0.00 H new ATOM 0 HG2 ARG A 54 8.976 6.496 6.553 1.00 0.00 H new ATOM 0 HG3 ARG A 54 8.488 8.100 7.062 1.00 0.00 H new ATOM 0 HD2 ARG A 54 9.772 5.985 8.839 1.00 0.00 H new ATOM 0 HD3 ARG A 54 10.573 7.406 8.200 1.00 0.00 H new ATOM 0 HE ARG A 54 8.766 8.745 9.440 1.00 0.00 H new ATOM 0 HH11 ARG A 54 10.203 5.766 10.656 1.00 0.00 H new ATOM 0 HH12 ARG A 54 9.617 6.041 12.300 1.00 0.00 H new ATOM 0 HH21 ARG A 54 7.916 9.022 11.475 1.00 0.00 H new ATOM 0 HH22 ARG A 54 8.322 7.885 12.765 1.00 0.00 H new ATOM 838 N CYS A 55 3.753 6.431 7.280 1.00 0.00 N ATOM 839 CA CYS A 55 2.574 5.785 7.842 1.00 0.00 C ATOM 840 C CYS A 55 2.221 4.470 7.126 1.00 0.00 C ATOM 841 O CYS A 55 1.642 3.553 7.723 1.00 0.00 O ATOM 842 CB CYS A 55 1.398 6.725 7.773 1.00 0.00 C ATOM 843 SG CYS A 55 0.961 7.186 6.071 1.00 0.00 S ATOM 0 H CYS A 55 3.566 7.284 6.753 1.00 0.00 H new ATOM 0 HA CYS A 55 2.806 5.540 8.878 1.00 0.00 H new ATOM 0 HB2 CYS A 55 0.537 6.257 8.250 1.00 0.00 H new ATOM 0 HB3 CYS A 55 1.626 7.627 8.341 1.00 0.00 H new ATOM 848 N ASN A 56 2.614 4.349 5.878 1.00 0.00 N ATOM 849 CA ASN A 56 2.225 3.197 5.064 1.00 0.00 C ATOM 850 C ASN A 56 3.212 2.034 5.223 1.00 0.00 C ATOM 851 O ASN A 56 3.360 1.199 4.331 1.00 0.00 O ATOM 852 CB ASN A 56 2.070 3.598 3.575 1.00 0.00 C ATOM 853 CG ASN A 56 3.372 3.900 2.841 1.00 0.00 C ATOM 854 OD1 ASN A 56 4.367 4.375 3.422 1.00 0.00 O ATOM 855 ND2 ASN A 56 3.364 3.652 1.553 1.00 0.00 N ATOM 0 H ASN A 56 3.203 5.028 5.396 1.00 0.00 H new ATOM 0 HA ASN A 56 1.256 2.852 5.424 1.00 0.00 H new ATOM 0 HB2 ASN A 56 1.555 2.793 3.051 1.00 0.00 H new ATOM 0 HB3 ASN A 56 1.428 4.477 3.518 1.00 0.00 H new ATOM 0 HD21 ASN A 56 4.192 3.848 0.991 1.00 0.00 H new ATOM 0 HD22 ASN A 56 2.530 3.263 1.114 1.00 0.00 H new ATOM 862 N LYS A 57 3.827 1.961 6.385 1.00 0.00 N ATOM 863 CA LYS A 57 4.794 0.927 6.684 1.00 0.00 C ATOM 864 C LYS A 57 4.110 -0.350 7.145 1.00 0.00 C ATOM 865 O LYS A 57 3.332 -0.309 8.128 1.00 0.00 O ATOM 866 CB LYS A 57 5.863 1.387 7.696 1.00 0.00 C ATOM 867 CG LYS A 57 5.332 1.893 9.023 1.00 0.00 C ATOM 868 CD LYS A 57 6.463 2.255 9.969 1.00 0.00 C ATOM 869 CE LYS A 57 5.934 2.730 11.314 1.00 0.00 C ATOM 870 NZ LYS A 57 5.132 1.688 11.997 1.00 0.00 N ATOM 871 OXT LYS A 57 4.391 -1.412 6.565 1.00 0.00 O ATOM 0 H LYS A 57 3.670 2.618 7.149 1.00 0.00 H new ATOM 0 HA LYS A 57 5.320 0.713 5.753 1.00 0.00 H new ATOM 0 HB2 LYS A 57 6.538 0.553 7.889 1.00 0.00 H new ATOM 0 HB3 LYS A 57 6.456 2.178 7.237 1.00 0.00 H new ATOM 0 HG2 LYS A 57 4.702 2.766 8.855 1.00 0.00 H new ATOM 0 HG3 LYS A 57 4.703 1.129 9.480 1.00 0.00 H new ATOM 0 HD2 LYS A 57 7.108 1.388 10.116 1.00 0.00 H new ATOM 0 HD3 LYS A 57 7.077 3.037 9.522 1.00 0.00 H new ATOM 0 HE2 LYS A 57 6.770 3.018 11.951 1.00 0.00 H new ATOM 0 HE3 LYS A 57 5.322 3.620 11.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 4.992 1.955 12.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 4.207 1.599 11.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 5.633 0.778 11.949 1.00 0.00 H new TER 885 LYS A 57