USER MOD reduce.3.24.130724 H: found=0, std=0, add=846, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 844 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: C 13 ASN : amide:sc= 0.143 K(o=0.14,f=-0.93!) USER MOD Set 1.2: C 19 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: C 11 SER OG : rot 180:sc= 0.165 USER MOD Set 2.2: C 21 THR OG1 : rot -70:sc= 0.172 USER MOD Set 3.1: A 13 ASN : amide:sc= -0.202 X(o=-0.2,f=-0.2) USER MOD Set 3.2: A 19 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 11 SER OG : rot 180:sc= 0.164 USER MOD Set 4.2: A 21 THR OG1 : rot -70:sc= 0.172 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ -159:sc= -0.0816 (180deg=-0.464) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.778 X(o=-0.78,f=-0.45) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=-0.052) USER MOD Single : A 35 ASN : amide:sc= -0.0835 K(o=-0.083,f=-2.1!) USER MOD Single : A 38 LYS NZ :NH3+ -103:sc= -0.546 (180deg=-2.58!) USER MOD Single : A 43 HIS : no HE2:sc= -1.29 K(o=-1.3,f=-2.1) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= 0.96 K(o=0.96,f=0) USER MOD Single : C 1 MET CE :methyl 177:sc= 0 (180deg=-0.00769) USER MOD Single : C 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 5 THR OG1 : rot 180:sc= 0 USER MOD Single : C 7 LYS NZ :NH3+ -164:sc= -0.033 (180deg=-0.261) USER MOD Single : C 26 SER OG : rot 180:sc= 0 USER MOD Single : C 28 GLN : amide:sc= -0.391 K(o=-0.39,f=-1.6) USER MOD Single : C 29 GLN :FLIP amide:sc= 0 F(o=-0.55,f=0) USER MOD Single : C 35 ASN : amide:sc= -0.0348 K(o=-0.035,f=-1.8) USER MOD Single : C 38 LYS NZ :NH3+ 162:sc= -0.497 (180deg=-0.856) USER MOD Single : C 43 HIS : no HE2:sc= -1.11 K(o=-1.1,f=-2) USER MOD Single : C 48 TYR OH : rot 180:sc= 0 USER MOD Single : C 49 GLN : amide:sc= 0.854 K(o=0.85,f=-0.78) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.936 2.983 -1.980 1.00 0.00 N ATOM 2 CA MET A 1 -11.987 2.461 -0.974 1.00 0.00 C ATOM 3 C MET A 1 -12.000 0.943 -0.958 1.00 0.00 C ATOM 4 O MET A 1 -13.058 0.339 -0.820 1.00 0.00 O ATOM 5 CB MET A 1 -12.331 2.968 0.430 1.00 0.00 C ATOM 6 CG MET A 1 -11.430 2.329 1.485 1.00 0.00 C ATOM 7 SD MET A 1 -9.700 2.851 1.421 1.00 0.00 S ATOM 8 CE MET A 1 -9.884 4.373 2.373 1.00 0.00 C ATOM 0 H1 MET A 1 -12.911 4.023 -1.974 1.00 0.00 H new ATOM 0 H2 MET A 1 -12.668 2.636 -2.923 1.00 0.00 H new ATOM 0 H3 MET A 1 -13.897 2.659 -1.752 1.00 0.00 H new ATOM 0 HA MET A 1 -10.996 2.819 -1.253 1.00 0.00 H new ATOM 0 HB2 MET A 1 -12.223 4.052 0.464 1.00 0.00 H new ATOM 0 HB3 MET A 1 -13.374 2.744 0.655 1.00 0.00 H new ATOM 0 HG2 MET A 1 -11.829 2.562 2.472 1.00 0.00 H new ATOM 0 HG3 MET A 1 -11.473 1.246 1.371 1.00 0.00 H new ATOM 0 HE1 MET A 1 -8.917 4.868 2.459 1.00 0.00 H new ATOM 0 HE2 MET A 1 -10.587 5.035 1.868 1.00 0.00 H new ATOM 0 HE3 MET A 1 -10.260 4.136 3.368 1.00 0.00 H new ATOM 20 N LEU A 2 -10.828 0.327 -1.098 1.00 0.00 N ATOM 21 CA LEU A 2 -10.692 -1.120 -1.026 1.00 0.00 C ATOM 22 C LEU A 2 -9.579 -1.418 -0.020 1.00 0.00 C ATOM 23 O LEU A 2 -8.408 -1.151 -0.289 1.00 0.00 O ATOM 24 CB LEU A 2 -10.402 -1.646 -2.436 1.00 0.00 C ATOM 25 CG LEU A 2 -10.425 -3.174 -2.594 1.00 0.00 C ATOM 26 CD1 LEU A 2 -9.000 -3.708 -2.612 1.00 0.00 C ATOM 27 CD2 LEU A 2 -11.176 -3.921 -1.493 1.00 0.00 C ATOM 0 H LEU A 2 -9.950 0.819 -1.264 1.00 0.00 H new ATOM 0 HA LEU A 2 -11.597 -1.622 -0.683 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -11.133 -1.217 -3.121 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -9.422 -1.282 -2.746 1.00 0.00 H new ATOM 0 HG LEU A 2 -10.955 -3.352 -3.530 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -9.019 -4.792 -2.724 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -8.456 -3.266 -3.447 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -8.502 -3.449 -1.678 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -11.138 -4.992 -1.689 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -10.711 -3.712 -0.529 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -12.215 -3.592 -1.474 1.00 0.00 H new ATOM 39 N ILE A 3 -9.953 -1.967 1.139 1.00 0.00 N ATOM 40 CA ILE A 3 -9.010 -2.300 2.196 1.00 0.00 C ATOM 41 C ILE A 3 -8.493 -3.714 1.981 1.00 0.00 C ATOM 42 O ILE A 3 -9.204 -4.580 1.475 1.00 0.00 O ATOM 43 CB ILE A 3 -9.665 -2.216 3.587 1.00 0.00 C ATOM 44 CG1 ILE A 3 -10.079 -0.791 3.961 1.00 0.00 C ATOM 45 CG2 ILE A 3 -8.644 -2.672 4.636 1.00 0.00 C ATOM 46 CD1 ILE A 3 -11.484 -0.459 3.472 1.00 0.00 C ATOM 0 H ILE A 3 -10.922 -2.191 1.366 1.00 0.00 H new ATOM 0 HA ILE A 3 -8.193 -1.580 2.156 1.00 0.00 H new ATOM 0 HB ILE A 3 -10.555 -2.844 3.560 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -10.034 -0.673 5.044 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -9.369 -0.083 3.533 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -9.093 -2.618 5.628 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -8.343 -3.699 4.429 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -7.769 -2.023 4.598 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -11.737 0.562 3.759 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -11.523 -0.551 2.387 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -12.198 -1.150 3.920 1.00 0.00 H new ATOM 58 N LEU A 4 -7.239 -3.931 2.377 1.00 0.00 N ATOM 59 CA LEU A 4 -6.600 -5.234 2.380 1.00 0.00 C ATOM 60 C LEU A 4 -5.746 -5.336 3.641 1.00 0.00 C ATOM 61 O LEU A 4 -5.414 -4.316 4.248 1.00 0.00 O ATOM 62 CB LEU A 4 -5.720 -5.383 1.135 1.00 0.00 C ATOM 63 CG LEU A 4 -6.517 -5.349 -0.176 1.00 0.00 C ATOM 64 CD1 LEU A 4 -5.541 -5.334 -1.347 1.00 0.00 C ATOM 65 CD2 LEU A 4 -7.422 -6.573 -0.314 1.00 0.00 C ATOM 0 H LEU A 4 -6.630 -3.184 2.711 1.00 0.00 H new ATOM 0 HA LEU A 4 -7.349 -6.026 2.368 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -4.980 -4.583 1.123 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -5.172 -6.323 1.195 1.00 0.00 H new ATOM 0 HG LEU A 4 -7.141 -4.455 -0.171 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -6.097 -5.310 -2.284 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -4.905 -4.451 -1.280 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -4.922 -6.230 -1.316 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -7.971 -6.515 -1.254 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -6.814 -7.478 -0.304 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -8.127 -6.600 0.517 1.00 0.00 H new ATOM 77 N THR A 5 -5.387 -6.559 4.040 1.00 0.00 N ATOM 78 CA THR A 5 -4.487 -6.766 5.167 1.00 0.00 C ATOM 79 C THR A 5 -3.275 -7.535 4.684 1.00 0.00 C ATOM 80 O THR A 5 -3.406 -8.460 3.885 1.00 0.00 O ATOM 81 CB THR A 5 -5.183 -7.517 6.307 1.00 0.00 C ATOM 82 OG1 THR A 5 -5.759 -8.720 5.850 1.00 0.00 O ATOM 83 CG2 THR A 5 -6.283 -6.655 6.916 1.00 0.00 C ATOM 0 H THR A 5 -5.709 -7.419 3.596 1.00 0.00 H new ATOM 0 HA THR A 5 -4.180 -5.797 5.561 1.00 0.00 H new ATOM 0 HB THR A 5 -4.425 -7.744 7.057 1.00 0.00 H new ATOM 0 HG1 THR A 5 -6.195 -9.179 6.598 1.00 0.00 H new ATOM 0 HG21 THR A 5 -6.768 -7.202 7.724 1.00 0.00 H new ATOM 0 HG22 THR A 5 -5.849 -5.736 7.309 1.00 0.00 H new ATOM 0 HG23 THR A 5 -7.019 -6.410 6.150 1.00 0.00 H new ATOM 91 N ARG A 6 -2.090 -7.157 5.165 1.00 0.00 N ATOM 92 CA ARG A 6 -0.866 -7.789 4.703 1.00 0.00 C ATOM 93 C ARG A 6 0.172 -7.865 5.816 1.00 0.00 C ATOM 94 O ARG A 6 0.371 -6.890 6.537 1.00 0.00 O ATOM 95 CB ARG A 6 -0.361 -6.952 3.523 1.00 0.00 C ATOM 96 CG ARG A 6 0.598 -7.693 2.592 1.00 0.00 C ATOM 97 CD ARG A 6 -0.082 -8.803 1.794 1.00 0.00 C ATOM 98 NE ARG A 6 -0.216 -10.041 2.572 1.00 0.00 N ATOM 99 CZ ARG A 6 -1.296 -10.827 2.599 1.00 0.00 C ATOM 100 NH1 ARG A 6 -2.379 -10.528 1.887 1.00 0.00 N ATOM 101 NH2 ARG A 6 -1.288 -11.926 3.348 1.00 0.00 N ATOM 0 H ARG A 6 -1.958 -6.426 5.864 1.00 0.00 H new ATOM 0 HA ARG A 6 -1.052 -8.818 4.395 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -1.218 -6.608 2.944 1.00 0.00 H new ATOM 0 HB3 ARG A 6 0.140 -6.065 3.910 1.00 0.00 H new ATOM 0 HG2 ARG A 6 1.048 -6.980 1.901 1.00 0.00 H new ATOM 0 HG3 ARG A 6 1.409 -8.121 3.181 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -1.069 -8.467 1.475 1.00 0.00 H new ATOM 0 HD3 ARG A 6 0.494 -9.004 0.890 1.00 0.00 H new ATOM 0 HE ARG A 6 0.583 -10.325 3.140 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -2.393 -9.688 1.309 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -3.195 -11.139 1.919 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -0.461 -12.163 3.896 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -2.109 -12.531 3.374 1.00 0.00 H new ATOM 115 N LYS A 7 0.835 -9.018 5.960 1.00 0.00 N ATOM 116 CA LYS A 7 1.920 -9.177 6.921 1.00 0.00 C ATOM 117 C LYS A 7 3.190 -8.613 6.289 1.00 0.00 C ATOM 118 O LYS A 7 3.341 -8.664 5.065 1.00 0.00 O ATOM 119 CB LYS A 7 2.102 -10.664 7.250 1.00 0.00 C ATOM 120 CG LYS A 7 2.238 -10.981 8.744 1.00 0.00 C ATOM 121 CD LYS A 7 0.976 -10.632 9.541 1.00 0.00 C ATOM 122 CE LYS A 7 1.069 -11.170 10.973 1.00 0.00 C ATOM 123 NZ LYS A 7 1.138 -12.643 11.002 1.00 0.00 N ATOM 0 H LYS A 7 0.633 -9.857 5.417 1.00 0.00 H new ATOM 0 HA LYS A 7 1.697 -8.647 7.847 1.00 0.00 H new ATOM 0 HB2 LYS A 7 1.251 -11.216 6.852 1.00 0.00 H new ATOM 0 HB3 LYS A 7 2.989 -11.030 6.733 1.00 0.00 H new ATOM 0 HG2 LYS A 7 2.459 -12.041 8.867 1.00 0.00 H new ATOM 0 HG3 LYS A 7 3.085 -10.429 9.153 1.00 0.00 H new ATOM 0 HD2 LYS A 7 0.842 -9.551 9.562 1.00 0.00 H new ATOM 0 HD3 LYS A 7 0.100 -11.052 9.046 1.00 0.00 H new ATOM 0 HE2 LYS A 7 1.951 -10.755 11.460 1.00 0.00 H new ATOM 0 HE3 LYS A 7 0.203 -10.836 11.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 0.846 -12.986 11.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 0.503 -13.035 10.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 2.113 -12.949 10.810 1.00 0.00 H new ATOM 137 N VAL A 8 4.113 -8.076 7.095 1.00 0.00 N ATOM 138 CA VAL A 8 5.345 -7.537 6.529 1.00 0.00 C ATOM 139 C VAL A 8 6.052 -8.613 5.706 1.00 0.00 C ATOM 140 O VAL A 8 6.109 -9.775 6.113 1.00 0.00 O ATOM 141 CB VAL A 8 6.266 -6.962 7.610 1.00 0.00 C ATOM 142 CG1 VAL A 8 5.512 -5.924 8.450 1.00 0.00 C ATOM 143 CG2 VAL A 8 6.831 -8.032 8.543 1.00 0.00 C ATOM 0 H VAL A 8 4.032 -8.006 8.109 1.00 0.00 H new ATOM 0 HA VAL A 8 5.085 -6.708 5.871 1.00 0.00 H new ATOM 0 HB VAL A 8 7.103 -6.501 7.086 1.00 0.00 H new ATOM 0 HG11 VAL A 8 6.177 -5.523 9.215 1.00 0.00 H new ATOM 0 HG12 VAL A 8 5.169 -5.114 7.806 1.00 0.00 H new ATOM 0 HG13 VAL A 8 4.653 -6.396 8.927 1.00 0.00 H new ATOM 0 HG21 VAL A 8 7.475 -7.563 9.287 1.00 0.00 H new ATOM 0 HG22 VAL A 8 6.012 -8.546 9.045 1.00 0.00 H new ATOM 0 HG23 VAL A 8 7.410 -8.751 7.963 1.00 0.00 H new ATOM 153 N GLY A 9 6.587 -8.229 4.546 1.00 0.00 N ATOM 154 CA GLY A 9 7.307 -9.137 3.671 1.00 0.00 C ATOM 155 C GLY A 9 6.447 -9.667 2.522 1.00 0.00 C ATOM 156 O GLY A 9 6.947 -10.425 1.696 1.00 0.00 O ATOM 0 H GLY A 9 6.529 -7.274 4.191 1.00 0.00 H new ATOM 0 HA2 GLY A 9 8.176 -8.624 3.260 1.00 0.00 H new ATOM 0 HA3 GLY A 9 7.680 -9.978 4.256 1.00 0.00 H new ATOM 160 N GLU A 10 5.165 -9.283 2.456 1.00 0.00 N ATOM 161 CA GLU A 10 4.283 -9.724 1.377 1.00 0.00 C ATOM 162 C GLU A 10 3.931 -8.555 0.448 1.00 0.00 C ATOM 163 O GLU A 10 4.427 -7.445 0.637 1.00 0.00 O ATOM 164 CB GLU A 10 3.041 -10.394 1.974 1.00 0.00 C ATOM 165 CG GLU A 10 3.432 -11.611 2.817 1.00 0.00 C ATOM 166 CD GLU A 10 2.191 -12.302 3.381 1.00 0.00 C ATOM 167 OE1 GLU A 10 1.433 -11.627 4.113 1.00 0.00 O ATOM 168 OE2 GLU A 10 2.008 -13.503 3.072 1.00 0.00 O ATOM 0 H GLU A 10 4.720 -8.669 3.138 1.00 0.00 H new ATOM 0 HA GLU A 10 4.797 -10.462 0.762 1.00 0.00 H new ATOM 0 HB2 GLU A 10 2.497 -9.678 2.591 1.00 0.00 H new ATOM 0 HB3 GLU A 10 2.368 -10.701 1.174 1.00 0.00 H new ATOM 0 HG2 GLU A 10 4.000 -12.314 2.207 1.00 0.00 H new ATOM 0 HG3 GLU A 10 4.083 -11.299 3.634 1.00 0.00 H new ATOM 175 N SER A 11 3.079 -8.787 -0.561 1.00 0.00 N ATOM 176 CA SER A 11 2.843 -7.800 -1.615 1.00 0.00 C ATOM 177 C SER A 11 1.372 -7.664 -2.009 1.00 0.00 C ATOM 178 O SER A 11 0.523 -8.451 -1.596 1.00 0.00 O ATOM 179 CB SER A 11 3.660 -8.197 -2.847 1.00 0.00 C ATOM 180 OG SER A 11 5.039 -8.207 -2.542 1.00 0.00 O ATOM 0 H SER A 11 2.544 -9.649 -0.666 1.00 0.00 H new ATOM 0 HA SER A 11 3.149 -6.830 -1.222 1.00 0.00 H new ATOM 0 HB2 SER A 11 3.351 -9.183 -3.194 1.00 0.00 H new ATOM 0 HB3 SER A 11 3.466 -7.498 -3.660 1.00 0.00 H new ATOM 0 HG SER A 11 5.548 -8.464 -3.339 1.00 0.00 H new ATOM 186 N ILE A 12 1.093 -6.639 -2.823 1.00 0.00 N ATOM 187 CA ILE A 12 -0.228 -6.264 -3.318 1.00 0.00 C ATOM 188 C ILE A 12 -0.043 -5.748 -4.754 1.00 0.00 C ATOM 189 O ILE A 12 1.086 -5.473 -5.160 1.00 0.00 O ATOM 190 CB ILE A 12 -0.846 -5.207 -2.383 1.00 0.00 C ATOM 191 CG1 ILE A 12 -0.948 -5.774 -0.958 1.00 0.00 C ATOM 192 CG2 ILE A 12 -2.230 -4.748 -2.854 1.00 0.00 C ATOM 193 CD1 ILE A 12 -1.598 -4.796 0.023 1.00 0.00 C ATOM 0 H ILE A 12 1.825 -6.019 -3.170 1.00 0.00 H new ATOM 0 HA ILE A 12 -0.917 -7.108 -3.331 1.00 0.00 H new ATOM 0 HB ILE A 12 -0.191 -4.336 -2.398 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -1.526 -6.698 -0.980 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.050 -6.030 -0.601 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -2.622 -4.003 -2.161 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -2.149 -4.311 -3.849 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -2.905 -5.603 -2.887 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.643 -5.250 1.013 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -1.007 -3.881 0.070 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -2.607 -4.559 -0.314 1.00 0.00 H new ATOM 205 N ASN A 13 -1.119 -5.608 -5.537 1.00 0.00 N ATOM 206 CA ASN A 13 -1.026 -5.231 -6.944 1.00 0.00 C ATOM 207 C ASN A 13 -2.000 -4.108 -7.305 1.00 0.00 C ATOM 208 O ASN A 13 -3.040 -3.951 -6.665 1.00 0.00 O ATOM 209 CB ASN A 13 -1.333 -6.458 -7.804 1.00 0.00 C ATOM 210 CG ASN A 13 -0.837 -6.257 -9.229 1.00 0.00 C ATOM 211 OD1 ASN A 13 -1.616 -5.932 -10.121 1.00 0.00 O ATOM 212 ND2 ASN A 13 0.460 -6.449 -9.444 1.00 0.00 N ATOM 0 H ASN A 13 -2.074 -5.753 -5.210 1.00 0.00 H new ATOM 0 HA ASN A 13 -0.016 -4.865 -7.130 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -0.860 -7.339 -7.370 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -2.407 -6.643 -7.811 1.00 0.00 H new ATOM 0 HD21 ASN A 13 0.845 -6.327 -10.380 1.00 0.00 H new ATOM 0 HD22 ASN A 13 1.070 -6.719 -8.673 1.00 0.00 H new ATOM 219 N ILE A 14 -1.657 -3.329 -8.338 1.00 0.00 N ATOM 220 CA ILE A 14 -2.483 -2.237 -8.836 1.00 0.00 C ATOM 221 C ILE A 14 -2.339 -2.154 -10.352 1.00 0.00 C ATOM 222 O ILE A 14 -1.245 -2.318 -10.894 1.00 0.00 O ATOM 223 CB ILE A 14 -2.062 -0.902 -8.198 1.00 0.00 C ATOM 224 CG1 ILE A 14 -2.116 -0.986 -6.664 1.00 0.00 C ATOM 225 CG2 ILE A 14 -2.980 0.220 -8.697 1.00 0.00 C ATOM 226 CD1 ILE A 14 -1.675 0.319 -5.998 1.00 0.00 C ATOM 0 H ILE A 14 -0.785 -3.446 -8.854 1.00 0.00 H new ATOM 0 HA ILE A 14 -3.523 -2.429 -8.572 1.00 0.00 H new ATOM 0 HB ILE A 14 -1.034 -0.686 -8.490 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -3.132 -1.227 -6.351 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -1.476 -1.800 -6.324 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -2.680 1.165 -8.244 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -2.903 0.298 -9.782 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -4.011 -0.003 -8.421 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -1.730 0.211 -4.915 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -0.650 0.547 -6.288 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -2.331 1.129 -6.316 1.00 0.00 H new ATOM 238 N GLY A 15 -3.452 -1.892 -11.048 1.00 0.00 N ATOM 239 CA GLY A 15 -3.459 -1.810 -12.499 1.00 0.00 C ATOM 240 C GLY A 15 -2.887 -3.090 -13.102 1.00 0.00 C ATOM 241 O GLY A 15 -3.155 -4.187 -12.616 1.00 0.00 O ATOM 0 H GLY A 15 -4.363 -1.733 -10.617 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -4.477 -1.654 -12.857 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -2.871 -0.952 -12.825 1.00 0.00 H new ATOM 245 N ASP A 16 -2.095 -2.938 -14.165 1.00 0.00 N ATOM 246 CA ASP A 16 -1.408 -4.044 -14.814 1.00 0.00 C ATOM 247 C ASP A 16 0.075 -3.716 -15.006 1.00 0.00 C ATOM 248 O ASP A 16 0.784 -4.427 -15.715 1.00 0.00 O ATOM 249 CB ASP A 16 -2.118 -4.405 -16.122 1.00 0.00 C ATOM 250 CG ASP A 16 -2.039 -3.300 -17.174 1.00 0.00 C ATOM 251 OD1 ASP A 16 -2.590 -2.209 -16.910 1.00 0.00 O ATOM 252 OD2 ASP A 16 -1.425 -3.549 -18.234 1.00 0.00 O ATOM 0 H ASP A 16 -1.914 -2.033 -14.600 1.00 0.00 H new ATOM 0 HA ASP A 16 -1.447 -4.927 -14.176 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -1.678 -5.316 -16.527 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -3.165 -4.623 -15.911 1.00 0.00 H new ATOM 257 N ASP A 17 0.539 -2.629 -14.374 1.00 0.00 N ATOM 258 CA ASP A 17 1.916 -2.166 -14.467 1.00 0.00 C ATOM 259 C ASP A 17 2.453 -1.689 -13.114 1.00 0.00 C ATOM 260 O ASP A 17 3.542 -1.121 -13.068 1.00 0.00 O ATOM 261 CB ASP A 17 2.018 -1.029 -15.490 1.00 0.00 C ATOM 262 CG ASP A 17 1.697 -1.485 -16.909 1.00 0.00 C ATOM 263 OD1 ASP A 17 2.500 -2.273 -17.459 1.00 0.00 O ATOM 264 OD2 ASP A 17 0.652 -1.043 -17.437 1.00 0.00 O ATOM 0 H ASP A 17 -0.046 -2.044 -13.777 1.00 0.00 H new ATOM 0 HA ASP A 17 2.524 -3.011 -14.789 1.00 0.00 H new ATOM 0 HB2 ASP A 17 1.335 -0.228 -15.207 1.00 0.00 H new ATOM 0 HB3 ASP A 17 3.025 -0.613 -15.465 1.00 0.00 H new ATOM 269 N ILE A 18 1.720 -1.899 -12.010 1.00 0.00 N ATOM 270 CA ILE A 18 2.173 -1.445 -10.703 1.00 0.00 C ATOM 271 C ILE A 18 2.046 -2.566 -9.674 1.00 0.00 C ATOM 272 O ILE A 18 1.132 -3.385 -9.738 1.00 0.00 O ATOM 273 CB ILE A 18 1.380 -0.206 -10.250 1.00 0.00 C ATOM 274 CG1 ILE A 18 1.465 0.955 -11.252 1.00 0.00 C ATOM 275 CG2 ILE A 18 1.918 0.287 -8.903 1.00 0.00 C ATOM 276 CD1 ILE A 18 0.315 0.899 -12.258 1.00 0.00 C ATOM 0 H ILE A 18 0.819 -2.377 -12.004 1.00 0.00 H new ATOM 0 HA ILE A 18 3.224 -1.167 -10.784 1.00 0.00 H new ATOM 0 HB ILE A 18 0.337 -0.515 -10.174 1.00 0.00 H new ATOM 0 HG12 ILE A 18 1.438 1.904 -10.717 1.00 0.00 H new ATOM 0 HG13 ILE A 18 2.417 0.914 -11.781 1.00 0.00 H new ATOM 0 HG21 ILE A 18 1.354 1.164 -8.585 1.00 0.00 H new ATOM 0 HG22 ILE A 18 1.812 -0.502 -8.158 1.00 0.00 H new ATOM 0 HG23 ILE A 18 2.971 0.550 -9.006 1.00 0.00 H new ATOM 0 HD11 ILE A 18 0.400 1.733 -12.955 1.00 0.00 H new ATOM 0 HD12 ILE A 18 0.359 -0.041 -12.809 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -0.635 0.965 -11.728 1.00 0.00 H new ATOM 288 N THR A 19 2.977 -2.593 -8.720 1.00 0.00 N ATOM 289 CA THR A 19 2.986 -3.562 -7.634 1.00 0.00 C ATOM 290 C THR A 19 3.406 -2.845 -6.355 1.00 0.00 C ATOM 291 O THR A 19 4.060 -1.805 -6.417 1.00 0.00 O ATOM 292 CB THR A 19 3.949 -4.708 -7.975 1.00 0.00 C ATOM 293 OG1 THR A 19 3.655 -5.225 -9.254 1.00 0.00 O ATOM 294 CG2 THR A 19 3.837 -5.860 -6.980 1.00 0.00 C ATOM 0 H THR A 19 3.754 -1.933 -8.683 1.00 0.00 H new ATOM 0 HA THR A 19 1.995 -3.992 -7.491 1.00 0.00 H new ATOM 0 HB THR A 19 4.956 -4.293 -7.939 1.00 0.00 H new ATOM 0 HG1 THR A 19 4.275 -5.954 -9.463 1.00 0.00 H new ATOM 0 HG21 THR A 19 4.535 -6.650 -7.258 1.00 0.00 H new ATOM 0 HG22 THR A 19 4.075 -5.501 -5.979 1.00 0.00 H new ATOM 0 HG23 THR A 19 2.821 -6.254 -6.992 1.00 0.00 H new ATOM 302 N ILE A 20 3.030 -3.403 -5.201 1.00 0.00 N ATOM 303 CA ILE A 20 3.278 -2.802 -3.900 1.00 0.00 C ATOM 304 C ILE A 20 3.818 -3.881 -2.970 1.00 0.00 C ATOM 305 O ILE A 20 3.469 -5.050 -3.114 1.00 0.00 O ATOM 306 CB ILE A 20 1.960 -2.241 -3.344 1.00 0.00 C ATOM 307 CG1 ILE A 20 1.283 -1.260 -4.307 1.00 0.00 C ATOM 308 CG2 ILE A 20 2.180 -1.570 -1.986 1.00 0.00 C ATOM 309 CD1 ILE A 20 2.071 0.036 -4.489 1.00 0.00 C ATOM 0 H ILE A 20 2.539 -4.296 -5.150 1.00 0.00 H new ATOM 0 HA ILE A 20 4.001 -1.990 -3.983 1.00 0.00 H new ATOM 0 HB ILE A 20 1.292 -3.093 -3.221 1.00 0.00 H new ATOM 0 HG12 ILE A 20 1.156 -1.741 -5.277 1.00 0.00 H new ATOM 0 HG13 ILE A 20 0.286 -1.024 -3.935 1.00 0.00 H new ATOM 0 HG21 ILE A 20 1.232 -1.181 -1.614 1.00 0.00 H new ATOM 0 HG22 ILE A 20 2.575 -2.300 -1.279 1.00 0.00 H new ATOM 0 HG23 ILE A 20 2.890 -0.750 -2.096 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.541 0.690 -5.182 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.176 0.536 -3.526 1.00 0.00 H new ATOM 0 HD13 ILE A 20 3.059 -0.192 -4.889 1.00 0.00 H new ATOM 321 N THR A 21 4.666 -3.495 -2.015 1.00 0.00 N ATOM 322 CA THR A 21 5.238 -4.432 -1.060 1.00 0.00 C ATOM 323 C THR A 21 5.337 -3.775 0.312 1.00 0.00 C ATOM 324 O THR A 21 5.897 -2.689 0.442 1.00 0.00 O ATOM 325 CB THR A 21 6.629 -4.872 -1.544 1.00 0.00 C ATOM 326 OG1 THR A 21 6.534 -5.443 -2.830 1.00 0.00 O ATOM 327 CG2 THR A 21 7.229 -5.920 -0.609 1.00 0.00 C ATOM 0 H THR A 21 4.971 -2.530 -1.886 1.00 0.00 H new ATOM 0 HA THR A 21 4.596 -5.310 -0.981 1.00 0.00 H new ATOM 0 HB THR A 21 7.266 -3.988 -1.561 1.00 0.00 H new ATOM 0 HG1 THR A 21 6.074 -6.306 -2.771 1.00 0.00 H new ATOM 0 HG21 THR A 21 8.213 -6.213 -0.975 1.00 0.00 H new ATOM 0 HG22 THR A 21 7.325 -5.502 0.393 1.00 0.00 H new ATOM 0 HG23 THR A 21 6.578 -6.794 -0.577 1.00 0.00 H new ATOM 335 N ILE A 22 4.792 -4.437 1.335 1.00 0.00 N ATOM 336 CA ILE A 22 4.870 -3.956 2.708 1.00 0.00 C ATOM 337 C ILE A 22 6.231 -4.355 3.276 1.00 0.00 C ATOM 338 O ILE A 22 6.414 -5.457 3.794 1.00 0.00 O ATOM 339 CB ILE A 22 3.677 -4.480 3.523 1.00 0.00 C ATOM 340 CG1 ILE A 22 3.826 -4.192 5.019 1.00 0.00 C ATOM 341 CG2 ILE A 22 3.438 -5.978 3.335 1.00 0.00 C ATOM 342 CD1 ILE A 22 4.076 -2.712 5.285 1.00 0.00 C ATOM 0 H ILE A 22 4.287 -5.317 1.232 1.00 0.00 H new ATOM 0 HA ILE A 22 4.799 -2.869 2.755 1.00 0.00 H new ATOM 0 HB ILE A 22 2.815 -3.938 3.134 1.00 0.00 H new ATOM 0 HG12 ILE A 22 2.924 -4.509 5.542 1.00 0.00 H new ATOM 0 HG13 ILE A 22 4.651 -4.779 5.422 1.00 0.00 H new ATOM 0 HG21 ILE A 22 2.583 -6.288 3.936 1.00 0.00 H new ATOM 0 HG22 ILE A 22 3.237 -6.185 2.284 1.00 0.00 H new ATOM 0 HG23 ILE A 22 4.323 -6.530 3.651 1.00 0.00 H new ATOM 0 HD11 ILE A 22 4.176 -2.547 6.358 1.00 0.00 H new ATOM 0 HD12 ILE A 22 4.992 -2.402 4.783 1.00 0.00 H new ATOM 0 HD13 ILE A 22 3.238 -2.127 4.905 1.00 0.00 H new ATOM 354 N LEU A 23 7.200 -3.444 3.179 1.00 0.00 N ATOM 355 CA LEU A 23 8.574 -3.721 3.571 1.00 0.00 C ATOM 356 C LEU A 23 8.703 -3.910 5.079 1.00 0.00 C ATOM 357 O LEU A 23 9.562 -4.670 5.527 1.00 0.00 O ATOM 358 CB LEU A 23 9.479 -2.575 3.111 1.00 0.00 C ATOM 359 CG LEU A 23 9.350 -2.294 1.614 1.00 0.00 C ATOM 360 CD1 LEU A 23 10.275 -1.148 1.231 1.00 0.00 C ATOM 361 CD2 LEU A 23 9.732 -3.510 0.782 1.00 0.00 C ATOM 0 H LEU A 23 7.051 -2.498 2.827 1.00 0.00 H new ATOM 0 HA LEU A 23 8.880 -4.651 3.093 1.00 0.00 H new ATOM 0 HB2 LEU A 23 9.230 -1.673 3.670 1.00 0.00 H new ATOM 0 HB3 LEU A 23 10.516 -2.819 3.344 1.00 0.00 H new ATOM 0 HG LEU A 23 8.309 -2.041 1.414 1.00 0.00 H new ATOM 0 HD11 LEU A 23 10.183 -0.947 0.164 1.00 0.00 H new ATOM 0 HD12 LEU A 23 10.000 -0.255 1.793 1.00 0.00 H new ATOM 0 HD13 LEU A 23 11.305 -1.419 1.462 1.00 0.00 H new ATOM 0 HD21 LEU A 23 9.628 -3.273 -0.277 1.00 0.00 H new ATOM 0 HD22 LEU A 23 10.765 -3.785 0.993 1.00 0.00 H new ATOM 0 HD23 LEU A 23 9.076 -4.344 1.034 1.00 0.00 H new ATOM 373 N GLY A 24 7.857 -3.236 5.865 1.00 0.00 N ATOM 374 CA GLY A 24 7.858 -3.450 7.306 1.00 0.00 C ATOM 375 C GLY A 24 7.241 -2.293 8.079 1.00 0.00 C ATOM 376 O GLY A 24 6.657 -1.383 7.491 1.00 0.00 O ATOM 0 H GLY A 24 7.178 -2.552 5.532 1.00 0.00 H new ATOM 0 HA2 GLY A 24 7.310 -4.364 7.532 1.00 0.00 H new ATOM 0 HA3 GLY A 24 8.883 -3.601 7.645 1.00 0.00 H new ATOM 380 N VAL A 25 7.378 -2.332 9.406 1.00 0.00 N ATOM 381 CA VAL A 25 6.892 -1.276 10.285 1.00 0.00 C ATOM 382 C VAL A 25 7.970 -0.915 11.303 1.00 0.00 C ATOM 383 O VAL A 25 8.888 -1.696 11.549 1.00 0.00 O ATOM 384 CB VAL A 25 5.584 -1.690 10.986 1.00 0.00 C ATOM 385 CG1 VAL A 25 4.603 -2.306 9.986 1.00 0.00 C ATOM 386 CG2 VAL A 25 5.839 -2.694 12.109 1.00 0.00 C ATOM 0 H VAL A 25 7.831 -3.101 9.899 1.00 0.00 H new ATOM 0 HA VAL A 25 6.670 -0.396 9.681 1.00 0.00 H new ATOM 0 HB VAL A 25 5.155 -0.784 11.414 1.00 0.00 H new ATOM 0 HG11 VAL A 25 3.687 -2.591 10.503 1.00 0.00 H new ATOM 0 HG12 VAL A 25 4.370 -1.578 9.209 1.00 0.00 H new ATOM 0 HG13 VAL A 25 5.053 -3.189 9.532 1.00 0.00 H new ATOM 0 HG21 VAL A 25 4.893 -2.962 12.579 1.00 0.00 H new ATOM 0 HG22 VAL A 25 6.306 -3.589 11.698 1.00 0.00 H new ATOM 0 HG23 VAL A 25 6.500 -2.248 12.852 1.00 0.00 H new ATOM 396 N SER A 26 7.847 0.271 11.899 1.00 0.00 N ATOM 397 CA SER A 26 8.788 0.782 12.883 1.00 0.00 C ATOM 398 C SER A 26 8.008 1.647 13.863 1.00 0.00 C ATOM 399 O SER A 26 7.975 2.869 13.727 1.00 0.00 O ATOM 400 CB SER A 26 9.895 1.590 12.199 1.00 0.00 C ATOM 401 OG SER A 26 10.611 0.780 11.292 1.00 0.00 O ATOM 0 H SER A 26 7.076 0.910 11.705 1.00 0.00 H new ATOM 0 HA SER A 26 9.270 -0.040 13.412 1.00 0.00 H new ATOM 0 HB2 SER A 26 9.460 2.439 11.672 1.00 0.00 H new ATOM 0 HB3 SER A 26 10.575 1.994 12.949 1.00 0.00 H new ATOM 0 HG SER A 26 11.313 1.312 10.863 1.00 0.00 H new ATOM 407 N GLY A 27 7.377 1.010 14.849 1.00 0.00 N ATOM 408 CA GLY A 27 6.457 1.701 15.735 1.00 0.00 C ATOM 409 C GLY A 27 5.153 1.910 14.981 1.00 0.00 C ATOM 410 O GLY A 27 4.484 0.941 14.631 1.00 0.00 O ATOM 0 H GLY A 27 7.490 0.016 15.050 1.00 0.00 H new ATOM 0 HA2 GLY A 27 6.286 1.117 16.639 1.00 0.00 H new ATOM 0 HA3 GLY A 27 6.875 2.658 16.048 1.00 0.00 H new ATOM 414 N GLN A 28 4.800 3.171 14.728 1.00 0.00 N ATOM 415 CA GLN A 28 3.601 3.501 13.971 1.00 0.00 C ATOM 416 C GLN A 28 3.975 3.873 12.543 1.00 0.00 C ATOM 417 O GLN A 28 3.097 4.188 11.741 1.00 0.00 O ATOM 418 CB GLN A 28 2.832 4.625 14.672 1.00 0.00 C ATOM 419 CG GLN A 28 1.808 4.055 15.657 1.00 0.00 C ATOM 420 CD GLN A 28 2.371 2.887 16.461 1.00 0.00 C ATOM 421 OE1 GLN A 28 3.079 3.075 17.446 1.00 0.00 O ATOM 422 NE2 GLN A 28 2.058 1.662 16.041 1.00 0.00 N ATOM 0 H GLN A 28 5.334 3.982 15.040 1.00 0.00 H new ATOM 0 HA GLN A 28 2.945 2.632 13.925 1.00 0.00 H new ATOM 0 HB2 GLN A 28 3.530 5.273 15.202 1.00 0.00 H new ATOM 0 HB3 GLN A 28 2.325 5.242 13.930 1.00 0.00 H new ATOM 0 HG2 GLN A 28 1.485 4.842 16.339 1.00 0.00 H new ATOM 0 HG3 GLN A 28 0.925 3.725 15.110 1.00 0.00 H new ATOM 0 HE21 GLN A 28 1.467 1.540 15.219 1.00 0.00 H new ATOM 0 HE22 GLN A 28 2.409 0.846 16.542 1.00 0.00 H new ATOM 431 N GLN A 29 5.270 3.837 12.222 1.00 0.00 N ATOM 432 CA GLN A 29 5.705 4.010 10.853 1.00 0.00 C ATOM 433 C GLN A 29 5.503 2.720 10.074 1.00 0.00 C ATOM 434 O GLN A 29 5.406 1.640 10.655 1.00 0.00 O ATOM 435 CB GLN A 29 7.186 4.375 10.771 1.00 0.00 C ATOM 436 CG GLN A 29 7.412 5.872 10.953 1.00 0.00 C ATOM 437 CD GLN A 29 8.770 6.247 10.389 1.00 0.00 C ATOM 438 OE1 GLN A 29 8.856 6.926 9.376 1.00 0.00 O ATOM 439 NE2 GLN A 29 9.842 5.804 11.037 1.00 0.00 N ATOM 0 H GLN A 29 6.024 3.690 12.893 1.00 0.00 H new ATOM 0 HA GLN A 29 5.110 4.820 10.431 1.00 0.00 H new ATOM 0 HB2 GLN A 29 7.738 3.829 11.536 1.00 0.00 H new ATOM 0 HB3 GLN A 29 7.584 4.062 9.806 1.00 0.00 H new ATOM 0 HG2 GLN A 29 6.627 6.434 10.446 1.00 0.00 H new ATOM 0 HG3 GLN A 29 7.360 6.133 12.010 1.00 0.00 H new ATOM 0 HE21 GLN A 29 9.732 5.240 11.879 1.00 0.00 H new ATOM 0 HE22 GLN A 29 10.775 6.028 10.692 1.00 0.00 H new ATOM 448 N VAL A 30 5.442 2.847 8.747 1.00 0.00 N ATOM 449 CA VAL A 30 5.341 1.721 7.842 1.00 0.00 C ATOM 450 C VAL A 30 6.199 2.029 6.624 1.00 0.00 C ATOM 451 O VAL A 30 5.982 3.043 5.958 1.00 0.00 O ATOM 452 CB VAL A 30 3.879 1.529 7.429 1.00 0.00 C ATOM 453 CG1 VAL A 30 3.772 0.318 6.512 1.00 0.00 C ATOM 454 CG2 VAL A 30 2.984 1.291 8.643 1.00 0.00 C ATOM 0 H VAL A 30 5.462 3.750 8.273 1.00 0.00 H new ATOM 0 HA VAL A 30 5.685 0.804 8.320 1.00 0.00 H new ATOM 0 HB VAL A 30 3.551 2.436 6.921 1.00 0.00 H new ATOM 0 HG11 VAL A 30 2.733 0.177 6.215 1.00 0.00 H new ATOM 0 HG12 VAL A 30 4.384 0.478 5.625 1.00 0.00 H new ATOM 0 HG13 VAL A 30 4.122 -0.570 7.039 1.00 0.00 H new ATOM 0 HG21 VAL A 30 1.953 1.159 8.315 1.00 0.00 H new ATOM 0 HG22 VAL A 30 3.315 0.396 9.169 1.00 0.00 H new ATOM 0 HG23 VAL A 30 3.044 2.149 9.313 1.00 0.00 H new ATOM 464 N ARG A 31 7.170 1.157 6.332 1.00 0.00 N ATOM 465 CA ARG A 31 7.926 1.234 5.093 1.00 0.00 C ATOM 466 C ARG A 31 7.112 0.529 4.025 1.00 0.00 C ATOM 467 O ARG A 31 6.792 -0.650 4.163 1.00 0.00 O ATOM 468 CB ARG A 31 9.286 0.545 5.208 1.00 0.00 C ATOM 469 CG ARG A 31 10.338 1.427 5.874 1.00 0.00 C ATOM 470 CD ARG A 31 11.740 0.967 5.448 1.00 0.00 C ATOM 471 NE ARG A 31 12.026 -0.414 5.847 1.00 0.00 N ATOM 472 CZ ARG A 31 13.123 -1.072 5.463 1.00 0.00 C ATOM 473 NH1 ARG A 31 14.029 -0.485 4.686 1.00 0.00 N ATOM 474 NH2 ARG A 31 13.321 -2.323 5.859 1.00 0.00 N ATOM 0 H ARG A 31 7.446 0.389 6.944 1.00 0.00 H new ATOM 0 HA ARG A 31 8.107 2.281 4.851 1.00 0.00 H new ATOM 0 HB2 ARG A 31 9.175 -0.376 5.780 1.00 0.00 H new ATOM 0 HB3 ARG A 31 9.631 0.263 4.213 1.00 0.00 H new ATOM 0 HG2 ARG A 31 10.185 2.469 5.593 1.00 0.00 H new ATOM 0 HG3 ARG A 31 10.240 1.372 6.958 1.00 0.00 H new ATOM 0 HD2 ARG A 31 11.834 1.055 4.366 1.00 0.00 H new ATOM 0 HD3 ARG A 31 12.485 1.630 5.888 1.00 0.00 H new ATOM 0 HE ARG A 31 11.356 -0.895 6.446 1.00 0.00 H new ATOM 0 HH11 ARG A 31 13.890 0.477 4.377 1.00 0.00 H new ATOM 0 HH12 ARG A 31 14.863 -0.997 4.399 1.00 0.00 H new ATOM 0 HH21 ARG A 31 12.635 -2.783 6.457 1.00 0.00 H new ATOM 0 HH22 ARG A 31 14.159 -2.824 5.565 1.00 0.00 H new ATOM 488 N ILE A 32 6.788 1.270 2.968 1.00 0.00 N ATOM 489 CA ILE A 32 6.011 0.761 1.854 1.00 0.00 C ATOM 490 C ILE A 32 6.839 0.931 0.589 1.00 0.00 C ATOM 491 O ILE A 32 7.326 2.026 0.303 1.00 0.00 O ATOM 492 CB ILE A 32 4.677 1.514 1.750 1.00 0.00 C ATOM 493 CG1 ILE A 32 4.029 1.682 3.133 1.00 0.00 C ATOM 494 CG2 ILE A 32 3.764 0.749 0.789 1.00 0.00 C ATOM 495 CD1 ILE A 32 2.629 2.291 3.065 1.00 0.00 C ATOM 0 H ILE A 32 7.062 2.247 2.865 1.00 0.00 H new ATOM 0 HA ILE A 32 5.777 -0.294 1.999 1.00 0.00 H new ATOM 0 HB ILE A 32 4.847 2.518 1.362 1.00 0.00 H new ATOM 0 HG12 ILE A 32 3.973 0.710 3.623 1.00 0.00 H new ATOM 0 HG13 ILE A 32 4.665 2.315 3.752 1.00 0.00 H new ATOM 0 HG21 ILE A 32 2.810 1.269 0.702 1.00 0.00 H new ATOM 0 HG22 ILE A 32 4.236 0.690 -0.192 1.00 0.00 H new ATOM 0 HG23 ILE A 32 3.595 -0.258 1.172 1.00 0.00 H new ATOM 0 HD11 ILE A 32 2.224 2.385 4.072 1.00 0.00 H new ATOM 0 HD12 ILE A 32 2.683 3.277 2.603 1.00 0.00 H new ATOM 0 HD13 ILE A 32 1.980 1.647 2.471 1.00 0.00 H new ATOM 507 N GLY A 33 6.996 -0.155 -0.168 1.00 0.00 N ATOM 508 CA GLY A 33 7.742 -0.145 -1.412 1.00 0.00 C ATOM 509 C GLY A 33 6.768 -0.156 -2.576 1.00 0.00 C ATOM 510 O GLY A 33 5.664 -0.691 -2.465 1.00 0.00 O ATOM 0 H GLY A 33 6.605 -1.066 0.071 1.00 0.00 H new ATOM 0 HA2 GLY A 33 8.378 0.739 -1.462 1.00 0.00 H new ATOM 0 HA3 GLY A 33 8.399 -1.013 -1.463 1.00 0.00 H new ATOM 514 N ILE A 34 7.179 0.435 -3.697 1.00 0.00 N ATOM 515 CA ILE A 34 6.348 0.501 -4.883 1.00 0.00 C ATOM 516 C ILE A 34 7.202 0.144 -6.087 1.00 0.00 C ATOM 517 O ILE A 34 8.387 0.465 -6.127 1.00 0.00 O ATOM 518 CB ILE A 34 5.742 1.910 -5.014 1.00 0.00 C ATOM 519 CG1 ILE A 34 4.973 2.258 -3.728 1.00 0.00 C ATOM 520 CG2 ILE A 34 4.827 1.959 -6.244 1.00 0.00 C ATOM 521 CD1 ILE A 34 4.397 3.672 -3.750 1.00 0.00 C ATOM 0 H ILE A 34 8.092 0.877 -3.802 1.00 0.00 H new ATOM 0 HA ILE A 34 5.521 -0.206 -4.816 1.00 0.00 H new ATOM 0 HB ILE A 34 6.532 2.649 -5.148 1.00 0.00 H new ATOM 0 HG12 ILE A 34 4.163 1.542 -3.589 1.00 0.00 H new ATOM 0 HG13 ILE A 34 5.640 2.155 -2.872 1.00 0.00 H new ATOM 0 HG21 ILE A 34 4.397 2.956 -6.338 1.00 0.00 H new ATOM 0 HG22 ILE A 34 5.406 1.728 -7.138 1.00 0.00 H new ATOM 0 HG23 ILE A 34 4.026 1.228 -6.131 1.00 0.00 H new ATOM 0 HD11 ILE A 34 3.865 3.863 -2.818 1.00 0.00 H new ATOM 0 HD12 ILE A 34 5.207 4.393 -3.860 1.00 0.00 H new ATOM 0 HD13 ILE A 34 3.707 3.771 -4.588 1.00 0.00 H new ATOM 533 N ASN A 35 6.596 -0.530 -7.067 1.00 0.00 N ATOM 534 CA ASN A 35 7.299 -0.980 -8.254 1.00 0.00 C ATOM 535 C ASN A 35 6.449 -0.668 -9.478 1.00 0.00 C ATOM 536 O ASN A 35 5.472 -1.360 -9.764 1.00 0.00 O ATOM 537 CB ASN A 35 7.608 -2.469 -8.113 1.00 0.00 C ATOM 538 CG ASN A 35 8.545 -2.972 -9.202 1.00 0.00 C ATOM 539 OD1 ASN A 35 8.878 -2.249 -10.136 1.00 0.00 O ATOM 540 ND2 ASN A 35 8.976 -4.223 -9.084 1.00 0.00 N ATOM 0 H ASN A 35 5.606 -0.775 -7.053 1.00 0.00 H new ATOM 0 HA ASN A 35 8.249 -0.460 -8.374 1.00 0.00 H new ATOM 0 HB2 ASN A 35 8.057 -2.653 -7.137 1.00 0.00 H new ATOM 0 HB3 ASN A 35 6.677 -3.035 -8.148 1.00 0.00 H new ATOM 0 HD21 ASN A 35 9.606 -4.613 -9.784 1.00 0.00 H new ATOM 0 HD22 ASN A 35 8.677 -4.793 -8.293 1.00 0.00 H new ATOM 547 N ALA A 36 6.844 0.384 -10.194 1.00 0.00 N ATOM 548 CA ALA A 36 6.140 0.863 -11.369 1.00 0.00 C ATOM 549 C ALA A 36 7.157 1.403 -12.376 1.00 0.00 C ATOM 550 O ALA A 36 8.251 1.804 -11.979 1.00 0.00 O ATOM 551 CB ALA A 36 5.173 1.966 -10.931 1.00 0.00 C ATOM 0 H ALA A 36 7.674 0.931 -9.966 1.00 0.00 H new ATOM 0 HA ALA A 36 5.579 0.058 -11.843 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.632 2.342 -11.800 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.464 1.562 -10.208 1.00 0.00 H new ATOM 0 HB3 ALA A 36 5.734 2.781 -10.473 1.00 0.00 H new ATOM 557 N PRO A 37 6.820 1.427 -13.671 1.00 0.00 N ATOM 558 CA PRO A 37 7.675 1.985 -14.703 1.00 0.00 C ATOM 559 C PRO A 37 7.692 3.503 -14.610 1.00 0.00 C ATOM 560 O PRO A 37 6.739 4.116 -14.131 1.00 0.00 O ATOM 561 CB PRO A 37 7.040 1.535 -16.023 1.00 0.00 C ATOM 562 CG PRO A 37 5.556 1.398 -15.678 1.00 0.00 C ATOM 563 CD PRO A 37 5.588 0.907 -14.233 1.00 0.00 C ATOM 0 HA PRO A 37 8.709 1.652 -14.610 1.00 0.00 H new ATOM 0 HB2 PRO A 37 7.202 2.265 -16.816 1.00 0.00 H new ATOM 0 HB3 PRO A 37 7.460 0.591 -16.369 1.00 0.00 H new ATOM 0 HG2 PRO A 37 5.030 2.348 -15.771 1.00 0.00 H new ATOM 0 HG3 PRO A 37 5.052 0.689 -16.335 1.00 0.00 H new ATOM 0 HD2 PRO A 37 4.722 1.266 -13.678 1.00 0.00 H new ATOM 0 HD3 PRO A 37 5.566 -0.182 -14.189 1.00 0.00 H new ATOM 571 N LYS A 38 8.781 4.130 -15.072 1.00 0.00 N ATOM 572 CA LYS A 38 8.869 5.587 -15.124 1.00 0.00 C ATOM 573 C LYS A 38 7.863 6.152 -16.127 1.00 0.00 C ATOM 574 O LYS A 38 7.752 7.367 -16.272 1.00 0.00 O ATOM 575 CB LYS A 38 10.297 6.021 -15.463 1.00 0.00 C ATOM 576 CG LYS A 38 11.274 5.715 -14.317 1.00 0.00 C ATOM 577 CD LYS A 38 11.002 6.492 -13.022 1.00 0.00 C ATOM 578 CE LYS A 38 11.360 7.979 -13.116 1.00 0.00 C ATOM 579 NZ LYS A 38 10.346 8.765 -13.847 1.00 0.00 N ATOM 0 H LYS A 38 9.612 3.647 -15.414 1.00 0.00 H new ATOM 0 HA LYS A 38 8.619 5.989 -14.142 1.00 0.00 H new ATOM 0 HB2 LYS A 38 10.627 5.511 -16.368 1.00 0.00 H new ATOM 0 HB3 LYS A 38 10.311 7.090 -15.677 1.00 0.00 H new ATOM 0 HG2 LYS A 38 11.236 4.648 -14.100 1.00 0.00 H new ATOM 0 HG3 LYS A 38 12.287 5.936 -14.652 1.00 0.00 H new ATOM 0 HD2 LYS A 38 9.947 6.396 -12.764 1.00 0.00 H new ATOM 0 HD3 LYS A 38 11.571 6.040 -12.210 1.00 0.00 H new ATOM 0 HE2 LYS A 38 11.473 8.385 -12.111 1.00 0.00 H new ATOM 0 HE3 LYS A 38 12.324 8.086 -13.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 10.691 8.969 -14.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 9.461 8.222 -13.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 10.171 9.659 -13.345 1.00 0.00 H new ATOM 593 N ASP A 39 7.131 5.271 -16.812 1.00 0.00 N ATOM 594 CA ASP A 39 6.040 5.641 -17.697 1.00 0.00 C ATOM 595 C ASP A 39 4.859 6.195 -16.895 1.00 0.00 C ATOM 596 O ASP A 39 3.926 6.757 -17.469 1.00 0.00 O ATOM 597 CB ASP A 39 5.608 4.396 -18.472 1.00 0.00 C ATOM 598 CG ASP A 39 4.653 4.746 -19.615 1.00 0.00 C ATOM 599 OD1 ASP A 39 5.060 5.559 -20.473 1.00 0.00 O ATOM 600 OD2 ASP A 39 3.529 4.197 -19.611 1.00 0.00 O ATOM 0 H ASP A 39 7.288 4.264 -16.762 1.00 0.00 H new ATOM 0 HA ASP A 39 6.373 6.418 -18.385 1.00 0.00 H new ATOM 0 HB2 ASP A 39 6.488 3.893 -18.874 1.00 0.00 H new ATOM 0 HB3 ASP A 39 5.122 3.695 -17.793 1.00 0.00 H new ATOM 605 N VAL A 40 4.902 6.039 -15.566 1.00 0.00 N ATOM 606 CA VAL A 40 3.869 6.521 -14.660 1.00 0.00 C ATOM 607 C VAL A 40 4.520 7.135 -13.424 1.00 0.00 C ATOM 608 O VAL A 40 5.689 6.874 -13.139 1.00 0.00 O ATOM 609 CB VAL A 40 2.904 5.391 -14.265 1.00 0.00 C ATOM 610 CG1 VAL A 40 2.321 4.707 -15.503 1.00 0.00 C ATOM 611 CG2 VAL A 40 3.589 4.320 -13.413 1.00 0.00 C ATOM 0 H VAL A 40 5.670 5.566 -15.089 1.00 0.00 H new ATOM 0 HA VAL A 40 3.284 7.285 -15.172 1.00 0.00 H new ATOM 0 HB VAL A 40 2.111 5.861 -13.683 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.642 3.912 -15.194 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.776 5.438 -16.100 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.129 4.283 -16.099 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.869 3.542 -13.158 1.00 0.00 H new ATOM 0 HG22 VAL A 40 4.414 3.881 -13.974 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.973 4.773 -12.499 1.00 0.00 H new ATOM 621 N ALA A 41 3.767 7.953 -12.688 1.00 0.00 N ATOM 622 CA ALA A 41 4.305 8.674 -11.548 1.00 0.00 C ATOM 623 C ALA A 41 3.872 8.039 -10.227 1.00 0.00 C ATOM 624 O ALA A 41 2.863 7.335 -10.169 1.00 0.00 O ATOM 625 CB ALA A 41 3.821 10.125 -11.622 1.00 0.00 C ATOM 0 H ALA A 41 2.778 8.129 -12.867 1.00 0.00 H new ATOM 0 HA ALA A 41 5.394 8.634 -11.583 1.00 0.00 H new ATOM 0 HB1 ALA A 41 4.215 10.684 -10.773 1.00 0.00 H new ATOM 0 HB2 ALA A 41 4.171 10.579 -12.549 1.00 0.00 H new ATOM 0 HB3 ALA A 41 2.732 10.147 -11.597 1.00 0.00 H new ATOM 631 N VAL A 42 4.639 8.295 -9.164 1.00 0.00 N ATOM 632 CA VAL A 42 4.310 7.856 -7.811 1.00 0.00 C ATOM 633 C VAL A 42 4.955 8.807 -6.809 1.00 0.00 C ATOM 634 O VAL A 42 6.128 9.142 -6.954 1.00 0.00 O ATOM 635 CB VAL A 42 4.782 6.408 -7.607 1.00 0.00 C ATOM 636 CG1 VAL A 42 6.212 6.185 -8.084 1.00 0.00 C ATOM 637 CG2 VAL A 42 4.723 5.984 -6.147 1.00 0.00 C ATOM 0 H VAL A 42 5.513 8.818 -9.222 1.00 0.00 H new ATOM 0 HA VAL A 42 3.231 7.876 -7.657 1.00 0.00 H new ATOM 0 HB VAL A 42 4.095 5.808 -8.203 1.00 0.00 H new ATOM 0 HG11 VAL A 42 6.494 5.145 -7.916 1.00 0.00 H new ATOM 0 HG12 VAL A 42 6.280 6.412 -9.148 1.00 0.00 H new ATOM 0 HG13 VAL A 42 6.886 6.838 -7.530 1.00 0.00 H new ATOM 0 HG21 VAL A 42 5.066 4.954 -6.053 1.00 0.00 H new ATOM 0 HG22 VAL A 42 5.364 6.635 -5.553 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.697 6.059 -5.788 1.00 0.00 H new ATOM 647 N HIS A 43 4.204 9.242 -5.793 1.00 0.00 N ATOM 648 CA HIS A 43 4.697 10.203 -4.813 1.00 0.00 C ATOM 649 C HIS A 43 3.919 10.114 -3.506 1.00 0.00 C ATOM 650 O HIS A 43 2.881 9.457 -3.440 1.00 0.00 O ATOM 651 CB HIS A 43 4.504 11.630 -5.340 1.00 0.00 C ATOM 652 CG HIS A 43 5.104 11.888 -6.693 1.00 0.00 C ATOM 653 ND1 HIS A 43 6.434 12.240 -6.935 1.00 0.00 N ATOM 654 CD2 HIS A 43 4.428 11.811 -7.875 1.00 0.00 C ATOM 655 CE1 HIS A 43 6.527 12.365 -8.270 1.00 0.00 C ATOM 656 NE2 HIS A 43 5.342 12.112 -8.856 1.00 0.00 N ATOM 0 H HIS A 43 3.244 8.938 -5.631 1.00 0.00 H new ATOM 0 HA HIS A 43 5.749 9.973 -4.643 1.00 0.00 H new ATOM 0 HB2 HIS A 43 3.436 11.845 -5.385 1.00 0.00 H new ATOM 0 HB3 HIS A 43 4.940 12.328 -4.626 1.00 0.00 H new ATOM 0 HD1 HIS A 43 7.175 12.373 -6.247 1.00 0.00 H new ATOM 0 HD2 HIS A 43 3.386 11.564 -8.012 1.00 0.00 H new ATOM 0 HE1 HIS A 43 7.429 12.632 -8.800 1.00 0.00 H new ATOM 664 N ARG A 44 4.420 10.778 -2.465 1.00 0.00 N ATOM 665 CA ARG A 44 3.679 10.956 -1.225 1.00 0.00 C ATOM 666 C ARG A 44 2.530 11.920 -1.479 1.00 0.00 C ATOM 667 O ARG A 44 2.541 12.668 -2.451 1.00 0.00 O ATOM 668 CB ARG A 44 4.598 11.529 -0.150 1.00 0.00 C ATOM 669 CG ARG A 44 5.572 10.457 0.326 1.00 0.00 C ATOM 670 CD ARG A 44 6.651 11.091 1.202 1.00 0.00 C ATOM 671 NE ARG A 44 7.591 11.853 0.373 1.00 0.00 N ATOM 672 CZ ARG A 44 8.064 13.072 0.654 1.00 0.00 C ATOM 673 NH1 ARG A 44 7.669 13.736 1.734 1.00 0.00 N ATOM 674 NH2 ARG A 44 8.950 13.626 -0.164 1.00 0.00 N ATOM 0 H ARG A 44 5.347 11.204 -2.461 1.00 0.00 H new ATOM 0 HA ARG A 44 3.293 9.995 -0.884 1.00 0.00 H new ATOM 0 HB2 ARG A 44 5.148 12.382 -0.547 1.00 0.00 H new ATOM 0 HB3 ARG A 44 4.006 11.894 0.690 1.00 0.00 H new ATOM 0 HG2 ARG A 44 5.038 9.691 0.888 1.00 0.00 H new ATOM 0 HG3 ARG A 44 6.030 9.963 -0.531 1.00 0.00 H new ATOM 0 HD2 ARG A 44 6.191 11.747 1.941 1.00 0.00 H new ATOM 0 HD3 ARG A 44 7.185 10.316 1.752 1.00 0.00 H new ATOM 0 HE ARG A 44 7.911 11.416 -0.491 1.00 0.00 H new ATOM 0 HH11 ARG A 44 6.991 13.317 2.370 1.00 0.00 H new ATOM 0 HH12 ARG A 44 8.044 14.665 1.927 1.00 0.00 H new ATOM 0 HH21 ARG A 44 9.262 13.123 -0.995 1.00 0.00 H new ATOM 0 HH22 ARG A 44 9.319 14.555 0.038 1.00 0.00 H new ATOM 688 N GLU A 45 1.532 11.907 -0.595 1.00 0.00 N ATOM 689 CA GLU A 45 0.377 12.785 -0.724 1.00 0.00 C ATOM 690 C GLU A 45 0.785 14.250 -0.541 1.00 0.00 C ATOM 691 O GLU A 45 0.100 15.146 -1.029 1.00 0.00 O ATOM 692 CB GLU A 45 -0.676 12.331 0.290 1.00 0.00 C ATOM 693 CG GLU A 45 -2.033 13.007 0.083 1.00 0.00 C ATOM 694 CD GLU A 45 -2.162 14.374 0.759 1.00 0.00 C ATOM 695 OE1 GLU A 45 -1.295 14.710 1.597 1.00 0.00 O ATOM 696 OE2 GLU A 45 -3.140 15.078 0.427 1.00 0.00 O ATOM 0 H GLU A 45 1.504 11.294 0.220 1.00 0.00 H new ATOM 0 HA GLU A 45 -0.050 12.719 -1.725 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -0.800 11.250 0.219 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -0.319 12.545 1.297 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -2.208 13.125 -0.986 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -2.815 12.350 0.464 1.00 0.00 H new ATOM 703 N GLU A 46 1.900 14.503 0.156 1.00 0.00 N ATOM 704 CA GLU A 46 2.404 15.854 0.379 1.00 0.00 C ATOM 705 C GLU A 46 3.270 16.344 -0.786 1.00 0.00 C ATOM 706 O GLU A 46 3.659 17.510 -0.813 1.00 0.00 O ATOM 707 CB GLU A 46 3.188 15.894 1.696 1.00 0.00 C ATOM 708 CG GLU A 46 4.468 15.065 1.617 1.00 0.00 C ATOM 709 CD GLU A 46 5.168 14.970 2.972 1.00 0.00 C ATOM 710 OE1 GLU A 46 5.602 16.026 3.486 1.00 0.00 O ATOM 711 OE2 GLU A 46 5.261 13.837 3.492 1.00 0.00 O ATOM 0 H GLU A 46 2.474 13.774 0.579 1.00 0.00 H new ATOM 0 HA GLU A 46 1.551 16.530 0.442 1.00 0.00 H new ATOM 0 HB2 GLU A 46 3.438 16.927 1.940 1.00 0.00 H new ATOM 0 HB3 GLU A 46 2.561 15.519 2.504 1.00 0.00 H new ATOM 0 HG2 GLU A 46 4.230 14.063 1.260 1.00 0.00 H new ATOM 0 HG3 GLU A 46 5.145 15.511 0.889 1.00 0.00 H new ATOM 718 N ILE A 47 3.575 15.463 -1.744 1.00 0.00 N ATOM 719 CA ILE A 47 4.392 15.787 -2.912 1.00 0.00 C ATOM 720 C ILE A 47 3.551 15.695 -4.175 1.00 0.00 C ATOM 721 O ILE A 47 3.776 16.449 -5.117 1.00 0.00 O ATOM 722 CB ILE A 47 5.583 14.823 -2.970 1.00 0.00 C ATOM 723 CG1 ILE A 47 6.588 15.091 -1.844 1.00 0.00 C ATOM 724 CG2 ILE A 47 6.300 14.922 -4.314 1.00 0.00 C ATOM 725 CD1 ILE A 47 7.069 16.544 -1.782 1.00 0.00 C ATOM 0 H ILE A 47 3.257 14.494 -1.728 1.00 0.00 H new ATOM 0 HA ILE A 47 4.768 16.807 -2.834 1.00 0.00 H new ATOM 0 HB ILE A 47 5.180 13.818 -2.845 1.00 0.00 H new ATOM 0 HG12 ILE A 47 6.131 14.828 -0.890 1.00 0.00 H new ATOM 0 HG13 ILE A 47 7.450 14.437 -1.975 1.00 0.00 H new ATOM 0 HG21 ILE A 47 7.141 14.228 -4.330 1.00 0.00 H new ATOM 0 HG22 ILE A 47 5.606 14.670 -5.116 1.00 0.00 H new ATOM 0 HG23 ILE A 47 6.666 15.939 -4.457 1.00 0.00 H new ATOM 0 HD11 ILE A 47 7.777 16.658 -0.961 1.00 0.00 H new ATOM 0 HD12 ILE A 47 7.556 16.806 -2.721 1.00 0.00 H new ATOM 0 HD13 ILE A 47 6.216 17.203 -1.619 1.00 0.00 H new ATOM 737 N TYR A 48 2.581 14.779 -4.213 1.00 0.00 N ATOM 738 CA TYR A 48 1.735 14.604 -5.380 1.00 0.00 C ATOM 739 C TYR A 48 1.028 15.910 -5.739 1.00 0.00 C ATOM 740 O TYR A 48 0.852 16.212 -6.919 1.00 0.00 O ATOM 741 CB TYR A 48 0.710 13.518 -5.079 1.00 0.00 C ATOM 742 CG TYR A 48 -0.408 13.475 -6.093 1.00 0.00 C ATOM 743 CD1 TYR A 48 -0.124 13.294 -7.454 1.00 0.00 C ATOM 744 CD2 TYR A 48 -1.733 13.627 -5.663 1.00 0.00 C ATOM 745 CE1 TYR A 48 -1.164 13.298 -8.395 1.00 0.00 C ATOM 746 CE2 TYR A 48 -2.780 13.621 -6.596 1.00 0.00 C ATOM 747 CZ TYR A 48 -2.497 13.457 -7.967 1.00 0.00 C ATOM 748 OH TYR A 48 -3.512 13.448 -8.878 1.00 0.00 O ATOM 0 H TYR A 48 2.367 14.147 -3.441 1.00 0.00 H new ATOM 0 HA TYR A 48 2.350 14.312 -6.232 1.00 0.00 H new ATOM 0 HB2 TYR A 48 1.210 12.550 -5.054 1.00 0.00 H new ATOM 0 HB3 TYR A 48 0.289 13.686 -4.087 1.00 0.00 H new ATOM 0 HD1 TYR A 48 0.896 13.151 -7.778 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -1.948 13.749 -4.612 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -0.944 13.179 -9.446 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -3.801 13.742 -6.265 1.00 0.00 H new ATOM 0 HH TYR A 48 -4.368 13.569 -8.416 1.00 0.00 H new ATOM 758 N GLN A 49 0.623 16.686 -4.735 1.00 0.00 N ATOM 759 CA GLN A 49 -0.067 17.944 -4.967 1.00 0.00 C ATOM 760 C GLN A 49 0.847 18.945 -5.667 1.00 0.00 C ATOM 761 O GLN A 49 0.360 19.895 -6.282 1.00 0.00 O ATOM 762 CB GLN A 49 -0.535 18.524 -3.630 1.00 0.00 C ATOM 763 CG GLN A 49 -1.515 17.580 -2.935 1.00 0.00 C ATOM 764 CD GLN A 49 -1.929 18.127 -1.575 1.00 0.00 C ATOM 765 OE1 GLN A 49 -2.557 19.176 -1.481 1.00 0.00 O ATOM 766 NE2 GLN A 49 -1.573 17.421 -0.508 1.00 0.00 N ATOM 0 H GLN A 49 0.764 16.460 -3.750 1.00 0.00 H new ATOM 0 HA GLN A 49 -0.927 17.754 -5.610 1.00 0.00 H new ATOM 0 HB2 GLN A 49 0.326 18.699 -2.985 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -1.011 19.490 -3.796 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -2.398 17.442 -3.560 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -1.055 16.599 -2.812 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -1.051 16.552 -0.622 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -1.822 17.747 0.426 1.00 0.00 H new ATOM 775 N ARG A 50 2.168 18.743 -5.581 1.00 0.00 N ATOM 776 CA ARG A 50 3.137 19.658 -6.159 1.00 0.00 C ATOM 777 C ARG A 50 3.412 19.323 -7.618 1.00 0.00 C ATOM 778 O ARG A 50 3.601 20.231 -8.426 1.00 0.00 O ATOM 779 CB ARG A 50 4.419 19.600 -5.330 1.00 0.00 C ATOM 780 CG ARG A 50 5.441 20.593 -5.868 1.00 0.00 C ATOM 781 CD ARG A 50 6.674 20.567 -4.972 1.00 0.00 C ATOM 782 NE ARG A 50 6.412 21.186 -3.669 1.00 0.00 N ATOM 783 CZ ARG A 50 6.432 22.504 -3.438 1.00 0.00 C ATOM 784 NH1 ARG A 50 6.696 23.366 -4.415 1.00 0.00 N ATOM 785 NH2 ARG A 50 6.178 22.965 -2.215 1.00 0.00 N ATOM 0 H ARG A 50 2.585 17.941 -5.109 1.00 0.00 H new ATOM 0 HA ARG A 50 2.735 20.671 -6.138 1.00 0.00 H new ATOM 0 HB2 ARG A 50 4.196 19.826 -4.287 1.00 0.00 H new ATOM 0 HB3 ARG A 50 4.832 18.592 -5.357 1.00 0.00 H new ATOM 0 HG2 ARG A 50 5.713 20.336 -6.892 1.00 0.00 H new ATOM 0 HG3 ARG A 50 5.015 21.596 -5.894 1.00 0.00 H new ATOM 0 HD2 ARG A 50 6.996 19.536 -4.827 1.00 0.00 H new ATOM 0 HD3 ARG A 50 7.493 21.090 -5.465 1.00 0.00 H new ATOM 0 HE ARG A 50 6.200 20.570 -2.885 1.00 0.00 H new ATOM 0 HH11 ARG A 50 6.887 23.026 -5.357 1.00 0.00 H new ATOM 0 HH12 ARG A 50 6.707 24.368 -4.222 1.00 0.00 H new ATOM 0 HH21 ARG A 50 5.969 22.314 -1.458 1.00 0.00 H new ATOM 0 HH22 ARG A 50 6.192 23.969 -2.035 1.00 0.00 H new ATOM 799 N ILE A 51 3.441 18.036 -7.979 1.00 0.00 N ATOM 800 CA ILE A 51 3.623 17.647 -9.372 1.00 0.00 C ATOM 801 C ILE A 51 2.422 18.135 -10.188 1.00 0.00 C ATOM 802 O ILE A 51 2.492 18.221 -11.414 1.00 0.00 O ATOM 803 CB ILE A 51 3.872 16.136 -9.503 1.00 0.00 C ATOM 804 CG1 ILE A 51 5.273 15.752 -8.998 1.00 0.00 C ATOM 805 CG2 ILE A 51 3.824 15.696 -10.969 1.00 0.00 C ATOM 806 CD1 ILE A 51 5.393 15.793 -7.482 1.00 0.00 C ATOM 0 H ILE A 51 3.341 17.256 -7.329 1.00 0.00 H new ATOM 0 HA ILE A 51 4.517 18.123 -9.776 1.00 0.00 H new ATOM 0 HB ILE A 51 3.094 15.652 -8.913 1.00 0.00 H new ATOM 0 HG12 ILE A 51 5.517 14.749 -9.349 1.00 0.00 H new ATOM 0 HG13 ILE A 51 6.008 16.429 -9.433 1.00 0.00 H new ATOM 0 HG21 ILE A 51 4.003 14.623 -11.033 1.00 0.00 H new ATOM 0 HG22 ILE A 51 2.843 15.925 -11.386 1.00 0.00 H new ATOM 0 HG23 ILE A 51 4.591 16.226 -11.533 1.00 0.00 H new ATOM 0 HD11 ILE A 51 6.405 15.512 -7.189 1.00 0.00 H new ATOM 0 HD12 ILE A 51 5.179 16.801 -7.127 1.00 0.00 H new ATOM 0 HD13 ILE A 51 4.681 15.095 -7.042 1.00 0.00 H new ATOM 1635 N MET C 1 12.079 -0.036 -7.593 1.00 0.00 N ATOM 1636 CA MET C 1 11.535 0.098 -6.230 1.00 0.00 C ATOM 1637 C MET C 1 11.657 1.533 -5.741 1.00 0.00 C ATOM 1638 O MET C 1 12.733 2.114 -5.820 1.00 0.00 O ATOM 1639 CB MET C 1 12.280 -0.809 -5.249 1.00 0.00 C ATOM 1640 CG MET C 1 11.752 -0.630 -3.824 1.00 0.00 C ATOM 1641 SD MET C 1 10.146 -1.390 -3.513 1.00 0.00 S ATOM 1642 CE MET C 1 10.749 -3.072 -3.232 1.00 0.00 C ATOM 0 H1 MET C 1 11.986 -1.023 -7.908 1.00 0.00 H new ATOM 0 H2 MET C 1 11.552 0.585 -8.240 1.00 0.00 H new ATOM 0 H3 MET C 1 13.083 0.235 -7.594 1.00 0.00 H new ATOM 0 HA MET C 1 10.485 -0.193 -6.272 1.00 0.00 H new ATOM 0 HB2 MET C 1 12.168 -1.849 -5.554 1.00 0.00 H new ATOM 0 HB3 MET C 1 13.346 -0.582 -5.277 1.00 0.00 H new ATOM 0 HG2 MET C 1 12.478 -1.049 -3.127 1.00 0.00 H new ATOM 0 HG3 MET C 1 11.682 0.436 -3.609 1.00 0.00 H new ATOM 0 HE1 MET C 1 9.913 -3.718 -2.964 1.00 0.00 H new ATOM 0 HE2 MET C 1 11.220 -3.446 -4.141 1.00 0.00 H new ATOM 0 HE3 MET C 1 11.478 -3.067 -2.421 1.00 0.00 H new ATOM 1654 N LEU C 2 10.565 2.102 -5.229 1.00 0.00 N ATOM 1655 CA LEU C 2 10.574 3.420 -4.620 1.00 0.00 C ATOM 1656 C LEU C 2 9.931 3.271 -3.242 1.00 0.00 C ATOM 1657 O LEU C 2 8.723 3.070 -3.133 1.00 0.00 O ATOM 1658 CB LEU C 2 9.831 4.400 -5.537 1.00 0.00 C ATOM 1659 CG LEU C 2 9.944 5.879 -5.133 1.00 0.00 C ATOM 1660 CD1 LEU C 2 8.689 6.306 -4.389 1.00 0.00 C ATOM 1661 CD2 LEU C 2 11.134 6.209 -4.237 1.00 0.00 C ATOM 0 H LEU C 2 9.648 1.654 -5.228 1.00 0.00 H new ATOM 0 HA LEU C 2 11.578 3.824 -4.493 1.00 0.00 H new ATOM 0 HB2 LEU C 2 10.213 4.286 -6.552 1.00 0.00 H new ATOM 0 HB3 LEU C 2 8.777 4.125 -5.560 1.00 0.00 H new ATOM 0 HG LEU C 2 10.081 6.415 -6.072 1.00 0.00 H new ATOM 0 HD11 LEU C 2 8.774 7.355 -4.105 1.00 0.00 H new ATOM 0 HD12 LEU C 2 7.821 6.174 -5.035 1.00 0.00 H new ATOM 0 HD13 LEU C 2 8.572 5.696 -3.494 1.00 0.00 H new ATOM 0 HD21 LEU C 2 11.130 7.274 -4.005 1.00 0.00 H new ATOM 0 HD22 LEU C 2 11.063 5.636 -3.313 1.00 0.00 H new ATOM 0 HD23 LEU C 2 12.060 5.953 -4.753 1.00 0.00 H new ATOM 1673 N ILE C 3 10.753 3.368 -2.191 1.00 0.00 N ATOM 1674 CA ILE C 3 10.292 3.243 -0.820 1.00 0.00 C ATOM 1675 C ILE C 3 9.815 4.602 -0.325 1.00 0.00 C ATOM 1676 O ILE C 3 10.354 5.640 -0.716 1.00 0.00 O ATOM 1677 CB ILE C 3 11.408 2.739 0.117 1.00 0.00 C ATOM 1678 CG1 ILE C 3 11.843 1.315 -0.216 1.00 0.00 C ATOM 1679 CG2 ILE C 3 10.869 2.719 1.552 1.00 0.00 C ATOM 1680 CD1 ILE C 3 12.959 1.288 -1.251 1.00 0.00 C ATOM 0 H ILE C 3 11.756 3.536 -2.276 1.00 0.00 H new ATOM 0 HA ILE C 3 9.480 2.516 -0.807 1.00 0.00 H new ATOM 0 HB ILE C 3 12.261 3.407 -0.002 1.00 0.00 H new ATOM 0 HG12 ILE C 3 12.179 0.817 0.693 1.00 0.00 H new ATOM 0 HG13 ILE C 3 10.988 0.753 -0.590 1.00 0.00 H new ATOM 0 HG21 ILE C 3 11.647 2.364 2.228 1.00 0.00 H new ATOM 0 HG22 ILE C 3 10.568 3.726 1.842 1.00 0.00 H new ATOM 0 HG23 ILE C 3 10.008 2.053 1.608 1.00 0.00 H new ATOM 0 HD11 ILE C 3 13.238 0.255 -1.458 1.00 0.00 H new ATOM 0 HD12 ILE C 3 12.615 1.762 -2.170 1.00 0.00 H new ATOM 0 HD13 ILE C 3 13.825 1.827 -0.867 1.00 0.00 H new ATOM 1692 N LEU C 4 8.803 4.574 0.537 1.00 0.00 N ATOM 1693 CA LEU C 4 8.294 5.737 1.231 1.00 0.00 C ATOM 1694 C LEU C 4 7.950 5.305 2.651 1.00 0.00 C ATOM 1695 O LEU C 4 7.757 4.115 2.909 1.00 0.00 O ATOM 1696 CB LEU C 4 7.045 6.264 0.521 1.00 0.00 C ATOM 1697 CG LEU C 4 7.335 6.777 -0.895 1.00 0.00 C ATOM 1698 CD1 LEU C 4 6.018 7.141 -1.577 1.00 0.00 C ATOM 1699 CD2 LEU C 4 8.233 8.012 -0.860 1.00 0.00 C ATOM 0 H LEU C 4 8.306 3.715 0.774 1.00 0.00 H new ATOM 0 HA LEU C 4 9.036 6.536 1.244 1.00 0.00 H new ATOM 0 HB2 LEU C 4 6.301 5.470 0.469 1.00 0.00 H new ATOM 0 HB3 LEU C 4 6.610 7.070 1.112 1.00 0.00 H new ATOM 0 HG LEU C 4 7.847 5.989 -1.447 1.00 0.00 H new ATOM 0 HD11 LEU C 4 6.219 7.506 -2.584 1.00 0.00 H new ATOM 0 HD12 LEU C 4 5.380 6.259 -1.631 1.00 0.00 H new ATOM 0 HD13 LEU C 4 5.514 7.918 -1.003 1.00 0.00 H new ATOM 0 HD21 LEU C 4 8.422 8.354 -1.878 1.00 0.00 H new ATOM 0 HD22 LEU C 4 7.740 8.804 -0.297 1.00 0.00 H new ATOM 0 HD23 LEU C 4 9.179 7.761 -0.380 1.00 0.00 H new ATOM 1711 N THR C 5 7.868 6.264 3.570 1.00 0.00 N ATOM 1712 CA THR C 5 7.448 5.982 4.933 1.00 0.00 C ATOM 1713 C THR C 5 6.220 6.808 5.260 1.00 0.00 C ATOM 1714 O THR C 5 6.068 7.937 4.794 1.00 0.00 O ATOM 1715 CB THR C 5 8.554 6.282 5.948 1.00 0.00 C ATOM 1716 OG1 THR C 5 9.030 7.595 5.780 1.00 0.00 O ATOM 1717 CG2 THR C 5 9.714 5.314 5.795 1.00 0.00 C ATOM 0 H THR C 5 8.088 7.244 3.391 1.00 0.00 H new ATOM 0 HA THR C 5 7.219 4.918 5.000 1.00 0.00 H new ATOM 0 HB THR C 5 8.126 6.169 6.944 1.00 0.00 H new ATOM 0 HG1 THR C 5 9.735 7.774 6.436 1.00 0.00 H new ATOM 0 HG21 THR C 5 10.485 5.551 6.529 1.00 0.00 H new ATOM 0 HG22 THR C 5 9.361 4.295 5.955 1.00 0.00 H new ATOM 0 HG23 THR C 5 10.130 5.400 4.791 1.00 0.00 H new ATOM 1725 N ARG C 6 5.343 6.232 6.077 1.00 0.00 N ATOM 1726 CA ARG C 6 4.131 6.895 6.533 1.00 0.00 C ATOM 1727 C ARG C 6 3.861 6.487 7.970 1.00 0.00 C ATOM 1728 O ARG C 6 4.418 5.500 8.441 1.00 0.00 O ATOM 1729 CB ARG C 6 2.940 6.460 5.675 1.00 0.00 C ATOM 1730 CG ARG C 6 3.005 6.886 4.207 1.00 0.00 C ATOM 1731 CD ARG C 6 2.618 8.348 3.976 1.00 0.00 C ATOM 1732 NE ARG C 6 3.639 9.292 4.434 1.00 0.00 N ATOM 1733 CZ ARG C 6 3.665 10.583 4.096 1.00 0.00 C ATOM 1734 NH1 ARG C 6 2.733 11.091 3.290 1.00 0.00 N ATOM 1735 NH2 ARG C 6 4.619 11.377 4.559 1.00 0.00 N ATOM 0 H ARG C 6 5.456 5.286 6.442 1.00 0.00 H new ATOM 0 HA ARG C 6 4.262 7.974 6.455 1.00 0.00 H new ATOM 0 HB2 ARG C 6 2.859 5.374 5.718 1.00 0.00 H new ATOM 0 HB3 ARG C 6 2.029 6.866 6.114 1.00 0.00 H new ATOM 0 HG2 ARG C 6 4.016 6.723 3.835 1.00 0.00 H new ATOM 0 HG3 ARG C 6 2.343 6.247 3.622 1.00 0.00 H new ATOM 0 HD2 ARG C 6 2.437 8.506 2.913 1.00 0.00 H new ATOM 0 HD3 ARG C 6 1.681 8.556 4.493 1.00 0.00 H new ATOM 0 HE ARG C 6 4.374 8.942 5.048 1.00 0.00 H new ATOM 0 HH11 ARG C 6 1.992 10.492 2.926 1.00 0.00 H new ATOM 0 HH12 ARG C 6 2.761 12.079 3.037 1.00 0.00 H new ATOM 0 HH21 ARG C 6 5.339 11.003 5.177 1.00 0.00 H new ATOM 0 HH22 ARG C 6 4.634 12.363 4.297 1.00 0.00 H new ATOM 1749 N LYS C 7 3.003 7.244 8.653 1.00 0.00 N ATOM 1750 CA LYS C 7 2.537 6.921 9.992 1.00 0.00 C ATOM 1751 C LYS C 7 1.063 6.559 9.856 1.00 0.00 C ATOM 1752 O LYS C 7 0.397 7.057 8.943 1.00 0.00 O ATOM 1753 CB LYS C 7 2.724 8.134 10.915 1.00 0.00 C ATOM 1754 CG LYS C 7 3.239 7.785 12.310 1.00 0.00 C ATOM 1755 CD LYS C 7 4.713 7.382 12.281 1.00 0.00 C ATOM 1756 CE LYS C 7 5.276 7.167 13.690 1.00 0.00 C ATOM 1757 NZ LYS C 7 5.251 8.408 14.485 1.00 0.00 N ATOM 0 H LYS C 7 2.610 8.109 8.283 1.00 0.00 H new ATOM 0 HA LYS C 7 3.097 6.094 10.429 1.00 0.00 H new ATOM 0 HB2 LYS C 7 3.420 8.829 10.446 1.00 0.00 H new ATOM 0 HB3 LYS C 7 1.771 8.654 11.011 1.00 0.00 H new ATOM 0 HG2 LYS C 7 3.108 8.641 12.972 1.00 0.00 H new ATOM 0 HG3 LYS C 7 2.646 6.969 12.724 1.00 0.00 H new ATOM 0 HD2 LYS C 7 4.827 6.466 11.701 1.00 0.00 H new ATOM 0 HD3 LYS C 7 5.290 8.155 11.774 1.00 0.00 H new ATOM 0 HE2 LYS C 7 4.696 6.397 14.199 1.00 0.00 H new ATOM 0 HE3 LYS C 7 6.300 6.801 13.620 1.00 0.00 H new ATOM 0 HZ1 LYS C 7 5.872 8.303 15.313 1.00 0.00 H new ATOM 0 HZ2 LYS C 7 5.584 9.201 13.901 1.00 0.00 H new ATOM 0 HZ3 LYS C 7 4.279 8.597 14.803 1.00 0.00 H new ATOM 1771 N VAL C 8 0.533 5.710 10.738 1.00 0.00 N ATOM 1772 CA VAL C 8 -0.864 5.310 10.632 1.00 0.00 C ATOM 1773 C VAL C 8 -1.768 6.544 10.643 1.00 0.00 C ATOM 1774 O VAL C 8 -1.841 7.259 11.641 1.00 0.00 O ATOM 1775 CB VAL C 8 -1.232 4.277 11.705 1.00 0.00 C ATOM 1776 CG1 VAL C 8 -0.321 3.056 11.558 1.00 0.00 C ATOM 1777 CG2 VAL C 8 -1.103 4.788 13.138 1.00 0.00 C ATOM 0 H VAL C 8 1.042 5.295 11.519 1.00 0.00 H new ATOM 0 HA VAL C 8 -1.021 4.810 9.676 1.00 0.00 H new ATOM 0 HB VAL C 8 -2.283 4.037 11.542 1.00 0.00 H new ATOM 0 HG11 VAL C 8 -0.577 2.317 12.318 1.00 0.00 H new ATOM 0 HG12 VAL C 8 -0.454 2.620 10.568 1.00 0.00 H new ATOM 0 HG13 VAL C 8 0.718 3.360 11.683 1.00 0.00 H new ATOM 0 HG21 VAL C 8 -1.382 3.996 13.833 1.00 0.00 H new ATOM 0 HG22 VAL C 8 -0.072 5.089 13.325 1.00 0.00 H new ATOM 0 HG23 VAL C 8 -1.763 5.644 13.280 1.00 0.00 H new ATOM 1787 N GLY C 9 -2.453 6.793 9.524 1.00 0.00 N ATOM 1788 CA GLY C 9 -3.314 7.959 9.367 1.00 0.00 C ATOM 1789 C GLY C 9 -2.879 8.862 8.210 1.00 0.00 C ATOM 1790 O GLY C 9 -3.448 9.937 8.028 1.00 0.00 O ATOM 0 H GLY C 9 -2.424 6.189 8.703 1.00 0.00 H new ATOM 0 HA2 GLY C 9 -4.339 7.629 9.199 1.00 0.00 H new ATOM 0 HA3 GLY C 9 -3.312 8.535 10.293 1.00 0.00 H new ATOM 1794 N GLU C 10 -1.883 8.443 7.421 1.00 0.00 N ATOM 1795 CA GLU C 10 -1.365 9.245 6.312 1.00 0.00 C ATOM 1796 C GLU C 10 -1.609 8.553 4.969 1.00 0.00 C ATOM 1797 O GLU C 10 -2.179 7.464 4.925 1.00 0.00 O ATOM 1798 CB GLU C 10 0.124 9.520 6.520 1.00 0.00 C ATOM 1799 CG GLU C 10 0.365 10.315 7.805 1.00 0.00 C ATOM 1800 CD GLU C 10 1.838 10.690 7.952 1.00 0.00 C ATOM 1801 OE1 GLU C 10 2.690 9.833 7.625 1.00 0.00 O ATOM 1802 OE2 GLU C 10 2.100 11.835 8.386 1.00 0.00 O ATOM 0 H GLU C 10 -1.417 7.543 7.534 1.00 0.00 H new ATOM 0 HA GLU C 10 -1.899 10.195 6.293 1.00 0.00 H new ATOM 0 HB2 GLU C 10 0.668 8.577 6.565 1.00 0.00 H new ATOM 0 HB3 GLU C 10 0.517 10.074 5.667 1.00 0.00 H new ATOM 0 HG2 GLU C 10 -0.244 11.219 7.797 1.00 0.00 H new ATOM 0 HG3 GLU C 10 0.049 9.725 8.666 1.00 0.00 H new ATOM 1809 N SER C 11 -1.180 9.179 3.867 1.00 0.00 N ATOM 1810 CA SER C 11 -1.499 8.701 2.524 1.00 0.00 C ATOM 1811 C SER C 11 -0.340 8.860 1.541 1.00 0.00 C ATOM 1812 O SER C 11 0.649 9.541 1.823 1.00 0.00 O ATOM 1813 CB SER C 11 -2.716 9.467 1.995 1.00 0.00 C ATOM 1814 OG SER C 11 -3.837 9.258 2.830 1.00 0.00 O ATOM 0 H SER C 11 -0.607 10.023 3.884 1.00 0.00 H new ATOM 0 HA SER C 11 -1.708 7.634 2.603 1.00 0.00 H new ATOM 0 HB2 SER C 11 -2.488 10.532 1.943 1.00 0.00 H new ATOM 0 HB3 SER C 11 -2.945 9.140 0.981 1.00 0.00 H new ATOM 0 HG SER C 11 -4.604 9.756 2.478 1.00 0.00 H new ATOM 1820 N ILE C 12 -0.487 8.214 0.379 1.00 0.00 N ATOM 1821 CA ILE C 12 0.475 8.169 -0.719 1.00 0.00 C ATOM 1822 C ILE C 12 -0.330 8.201 -2.025 1.00 0.00 C ATOM 1823 O ILE C 12 -1.541 7.978 -2.005 1.00 0.00 O ATOM 1824 CB ILE C 12 1.336 6.894 -0.605 1.00 0.00 C ATOM 1825 CG1 ILE C 12 2.046 6.852 0.758 1.00 0.00 C ATOM 1826 CG2 ILE C 12 2.382 6.806 -1.725 1.00 0.00 C ATOM 1827 CD1 ILE C 12 2.933 5.620 0.920 1.00 0.00 C ATOM 0 H ILE C 12 -1.330 7.679 0.171 1.00 0.00 H new ATOM 0 HA ILE C 12 1.159 9.017 -0.691 1.00 0.00 H new ATOM 0 HB ILE C 12 0.664 6.041 -0.700 1.00 0.00 H new ATOM 0 HG12 ILE C 12 2.653 7.750 0.875 1.00 0.00 H new ATOM 0 HG13 ILE C 12 1.300 6.865 1.553 1.00 0.00 H new ATOM 0 HG21 ILE C 12 2.966 5.893 -1.606 1.00 0.00 H new ATOM 0 HG22 ILE C 12 1.879 6.792 -2.692 1.00 0.00 H new ATOM 0 HG23 ILE C 12 3.044 7.670 -1.673 1.00 0.00 H new ATOM 0 HD11 ILE C 12 3.410 5.641 1.900 1.00 0.00 H new ATOM 0 HD12 ILE C 12 2.325 4.720 0.832 1.00 0.00 H new ATOM 0 HD13 ILE C 12 3.698 5.618 0.144 1.00 0.00 H new ATOM 1839 N ASN C 13 0.311 8.469 -3.167 1.00 0.00 N ATOM 1840 CA ASN C 13 -0.371 8.594 -4.448 1.00 0.00 C ATOM 1841 C ASN C 13 0.391 7.909 -5.575 1.00 0.00 C ATOM 1842 O ASN C 13 1.613 7.757 -5.525 1.00 0.00 O ATOM 1843 CB ASN C 13 -0.543 10.076 -4.780 1.00 0.00 C ATOM 1844 CG ASN C 13 -1.765 10.649 -4.081 1.00 0.00 C ATOM 1845 OD1 ASN C 13 -1.647 11.360 -3.089 1.00 0.00 O ATOM 1846 ND2 ASN C 13 -2.948 10.337 -4.599 1.00 0.00 N ATOM 0 H ASN C 13 1.320 8.605 -3.223 1.00 0.00 H new ATOM 0 HA ASN C 13 -1.340 8.103 -4.360 1.00 0.00 H new ATOM 0 HB2 ASN C 13 0.347 10.627 -4.476 1.00 0.00 H new ATOM 0 HB3 ASN C 13 -0.643 10.202 -5.858 1.00 0.00 H new ATOM 0 HD21 ASN C 13 -3.802 10.692 -4.170 1.00 0.00 H new ATOM 0 HD22 ASN C 13 -3.002 9.742 -5.426 1.00 0.00 H new ATOM 1853 N ILE C 14 -0.361 7.490 -6.597 1.00 0.00 N ATOM 1854 CA ILE C 14 0.167 6.818 -7.775 1.00 0.00 C ATOM 1855 C ILE C 14 -0.614 7.310 -8.989 1.00 0.00 C ATOM 1856 O ILE C 14 -1.826 7.531 -8.916 1.00 0.00 O ATOM 1857 CB ILE C 14 0.032 5.290 -7.619 1.00 0.00 C ATOM 1858 CG1 ILE C 14 0.764 4.817 -6.358 1.00 0.00 C ATOM 1859 CG2 ILE C 14 0.597 4.586 -8.857 1.00 0.00 C ATOM 1860 CD1 ILE C 14 0.634 3.310 -6.134 1.00 0.00 C ATOM 0 H ILE C 14 -1.373 7.614 -6.624 1.00 0.00 H new ATOM 0 HA ILE C 14 1.226 7.045 -7.901 1.00 0.00 H new ATOM 0 HB ILE C 14 -1.024 5.038 -7.521 1.00 0.00 H new ATOM 0 HG12 ILE C 14 1.819 5.080 -6.435 1.00 0.00 H new ATOM 0 HG13 ILE C 14 0.366 5.345 -5.492 1.00 0.00 H new ATOM 0 HG21 ILE C 14 0.498 3.507 -8.739 1.00 0.00 H new ATOM 0 HG22 ILE C 14 0.046 4.906 -9.741 1.00 0.00 H new ATOM 0 HG23 ILE C 14 1.650 4.843 -8.973 1.00 0.00 H new ATOM 0 HD11 ILE C 14 1.171 3.029 -5.228 1.00 0.00 H new ATOM 0 HD12 ILE C 14 -0.419 3.047 -6.028 1.00 0.00 H new ATOM 0 HD13 ILE C 14 1.057 2.778 -6.986 1.00 0.00 H new ATOM 1872 N GLY C 15 0.081 7.487 -10.117 1.00 0.00 N ATOM 1873 CA GLY C 15 -0.526 8.020 -11.325 1.00 0.00 C ATOM 1874 C GLY C 15 -1.205 9.353 -11.025 1.00 0.00 C ATOM 1875 O GLY C 15 -0.678 10.172 -10.271 1.00 0.00 O ATOM 0 H GLY C 15 1.072 7.265 -10.211 1.00 0.00 H new ATOM 0 HA2 GLY C 15 0.234 8.155 -12.094 1.00 0.00 H new ATOM 0 HA3 GLY C 15 -1.255 7.312 -11.718 1.00 0.00 H new ATOM 1879 N ASP C 16 -2.379 9.563 -11.622 1.00 0.00 N ATOM 1880 CA ASP C 16 -3.201 10.741 -11.385 1.00 0.00 C ATOM 1881 C ASP C 16 -4.643 10.327 -11.080 1.00 0.00 C ATOM 1882 O ASP C 16 -5.544 11.165 -11.083 1.00 0.00 O ATOM 1883 CB ASP C 16 -3.090 11.715 -12.563 1.00 0.00 C ATOM 1884 CG ASP C 16 -3.672 11.150 -13.855 1.00 0.00 C ATOM 1885 OD1 ASP C 16 -3.080 10.183 -14.385 1.00 0.00 O ATOM 1886 OD2 ASP C 16 -4.704 11.693 -14.310 1.00 0.00 O ATOM 0 H ASP C 16 -2.787 8.910 -12.291 1.00 0.00 H new ATOM 0 HA ASP C 16 -2.835 11.273 -10.507 1.00 0.00 H new ATOM 0 HB2 ASP C 16 -3.606 12.642 -12.312 1.00 0.00 H new ATOM 0 HB3 ASP C 16 -2.042 11.967 -12.722 1.00 0.00 H new ATOM 1891 N ASP C 17 -4.855 9.031 -10.821 1.00 0.00 N ATOM 1892 CA ASP C 17 -6.171 8.465 -10.548 1.00 0.00 C ATOM 1893 C ASP C 17 -6.133 7.458 -9.390 1.00 0.00 C ATOM 1894 O ASP C 17 -7.132 6.788 -9.149 1.00 0.00 O ATOM 1895 CB ASP C 17 -6.724 7.778 -11.805 1.00 0.00 C ATOM 1896 CG ASP C 17 -6.986 8.766 -12.937 1.00 0.00 C ATOM 1897 OD1 ASP C 17 -7.901 9.604 -12.776 1.00 0.00 O ATOM 1898 OD2 ASP C 17 -6.269 8.676 -13.958 1.00 0.00 O ATOM 0 H ASP C 17 -4.104 8.341 -10.796 1.00 0.00 H new ATOM 0 HA ASP C 17 -6.824 9.288 -10.259 1.00 0.00 H new ATOM 0 HB2 ASP C 17 -6.017 7.021 -12.143 1.00 0.00 H new ATOM 0 HB3 ASP C 17 -7.650 7.261 -11.556 1.00 0.00 H new ATOM 1903 N ILE C 18 -5.009 7.332 -8.665 1.00 0.00 N ATOM 1904 CA ILE C 18 -4.925 6.375 -7.567 1.00 0.00 C ATOM 1905 C ILE C 18 -4.364 7.039 -6.308 1.00 0.00 C ATOM 1906 O ILE C 18 -3.507 7.920 -6.380 1.00 0.00 O ATOM 1907 CB ILE C 18 -4.077 5.156 -7.973 1.00 0.00 C ATOM 1908 CG1 ILE C 18 -4.638 4.416 -9.194 1.00 0.00 C ATOM 1909 CG2 ILE C 18 -4.029 4.155 -6.811 1.00 0.00 C ATOM 1910 CD1 ILE C 18 -4.070 4.966 -10.505 1.00 0.00 C ATOM 0 H ILE C 18 -4.161 7.876 -8.822 1.00 0.00 H new ATOM 0 HA ILE C 18 -5.932 6.026 -7.340 1.00 0.00 H new ATOM 0 HB ILE C 18 -3.088 5.539 -8.224 1.00 0.00 H new ATOM 0 HG12 ILE C 18 -4.404 3.354 -9.114 1.00 0.00 H new ATOM 0 HG13 ILE C 18 -5.724 4.503 -9.204 1.00 0.00 H new ATOM 0 HG21 ILE C 18 -3.429 3.292 -7.099 1.00 0.00 H new ATOM 0 HG22 ILE C 18 -3.584 4.632 -5.938 1.00 0.00 H new ATOM 0 HG23 ILE C 18 -5.041 3.829 -6.570 1.00 0.00 H new ATOM 0 HD11 ILE C 18 -4.493 4.414 -11.345 1.00 0.00 H new ATOM 0 HD12 ILE C 18 -4.326 6.021 -10.598 1.00 0.00 H new ATOM 0 HD13 ILE C 18 -2.986 4.854 -10.507 1.00 0.00 H new ATOM 1922 N THR C 19 -4.861 6.599 -5.149 1.00 0.00 N ATOM 1923 CA THR C 19 -4.416 7.058 -3.840 1.00 0.00 C ATOM 1924 C THR C 19 -4.327 5.850 -2.910 1.00 0.00 C ATOM 1925 O THR C 19 -5.001 4.844 -3.134 1.00 0.00 O ATOM 1926 CB THR C 19 -5.400 8.098 -3.292 1.00 0.00 C ATOM 1927 OG1 THR C 19 -5.617 9.113 -4.246 1.00 0.00 O ATOM 1928 CG2 THR C 19 -4.879 8.750 -2.011 1.00 0.00 C ATOM 0 H THR C 19 -5.600 5.898 -5.099 1.00 0.00 H new ATOM 0 HA THR C 19 -3.436 7.529 -3.915 1.00 0.00 H new ATOM 0 HB THR C 19 -6.330 7.573 -3.072 1.00 0.00 H new ATOM 0 HG1 THR C 19 -6.248 9.771 -3.886 1.00 0.00 H new ATOM 0 HG21 THR C 19 -5.604 9.481 -1.654 1.00 0.00 H new ATOM 0 HG22 THR C 19 -4.729 7.985 -1.249 1.00 0.00 H new ATOM 0 HG23 THR C 19 -3.932 9.249 -2.216 1.00 0.00 H new ATOM 1936 N ILE C 20 -3.494 5.953 -1.874 1.00 0.00 N ATOM 1937 CA ILE C 20 -3.233 4.884 -0.920 1.00 0.00 C ATOM 1938 C ILE C 20 -3.268 5.490 0.480 1.00 0.00 C ATOM 1939 O ILE C 20 -2.899 6.649 0.653 1.00 0.00 O ATOM 1940 CB ILE C 20 -1.845 4.288 -1.198 1.00 0.00 C ATOM 1941 CG1 ILE C 20 -1.675 3.808 -2.652 1.00 0.00 C ATOM 1942 CG2 ILE C 20 -1.547 3.140 -0.229 1.00 0.00 C ATOM 1943 CD1 ILE C 20 -2.555 2.606 -2.990 1.00 0.00 C ATOM 0 H ILE C 20 -2.971 6.805 -1.673 1.00 0.00 H new ATOM 0 HA ILE C 20 -3.979 4.094 -1.007 1.00 0.00 H new ATOM 0 HB ILE C 20 -1.128 5.094 -1.042 1.00 0.00 H new ATOM 0 HG12 ILE C 20 -1.913 4.628 -3.330 1.00 0.00 H new ATOM 0 HG13 ILE C 20 -0.631 3.546 -2.823 1.00 0.00 H new ATOM 0 HG21 ILE C 20 -0.559 2.731 -0.442 1.00 0.00 H new ATOM 0 HG22 ILE C 20 -1.572 3.512 0.795 1.00 0.00 H new ATOM 0 HG23 ILE C 20 -2.297 2.358 -0.349 1.00 0.00 H new ATOM 0 HD11 ILE C 20 -2.390 2.315 -4.027 1.00 0.00 H new ATOM 0 HD12 ILE C 20 -2.301 1.773 -2.335 1.00 0.00 H new ATOM 0 HD13 ILE C 20 -3.603 2.871 -2.849 1.00 0.00 H new ATOM 1955 N THR C 21 -3.702 4.715 1.477 1.00 0.00 N ATOM 1956 CA THR C 21 -3.804 5.201 2.847 1.00 0.00 C ATOM 1957 C THR C 21 -3.437 4.093 3.824 1.00 0.00 C ATOM 1958 O THR C 21 -3.940 2.977 3.717 1.00 0.00 O ATOM 1959 CB THR C 21 -5.233 5.694 3.109 1.00 0.00 C ATOM 1960 OG1 THR C 21 -5.572 6.702 2.182 1.00 0.00 O ATOM 1961 CG2 THR C 21 -5.378 6.271 4.515 1.00 0.00 C ATOM 0 H THR C 21 -3.989 3.744 1.355 1.00 0.00 H new ATOM 0 HA THR C 21 -3.110 6.029 2.990 1.00 0.00 H new ATOM 0 HB THR C 21 -5.897 4.836 3.005 1.00 0.00 H new ATOM 0 HG1 THR C 21 -5.056 7.512 2.376 1.00 0.00 H new ATOM 0 HG21 THR C 21 -6.403 6.610 4.665 1.00 0.00 H new ATOM 0 HG22 THR C 21 -5.139 5.503 5.250 1.00 0.00 H new ATOM 0 HG23 THR C 21 -4.696 7.113 4.635 1.00 0.00 H new ATOM 1969 N ILE C 22 -2.559 4.399 4.781 1.00 0.00 N ATOM 1970 CA ILE C 22 -2.175 3.453 5.816 1.00 0.00 C ATOM 1971 C ILE C 22 -3.186 3.558 6.958 1.00 0.00 C ATOM 1972 O ILE C 22 -3.110 4.457 7.794 1.00 0.00 O ATOM 1973 CB ILE C 22 -0.721 3.692 6.254 1.00 0.00 C ATOM 1974 CG1 ILE C 22 -0.367 2.895 7.514 1.00 0.00 C ATOM 1975 CG2 ILE C 22 -0.416 5.170 6.511 1.00 0.00 C ATOM 1976 CD1 ILE C 22 -0.610 1.401 7.324 1.00 0.00 C ATOM 0 H ILE C 22 -2.099 5.306 4.856 1.00 0.00 H new ATOM 0 HA ILE C 22 -2.199 2.430 5.442 1.00 0.00 H new ATOM 0 HB ILE C 22 -0.110 3.349 5.419 1.00 0.00 H new ATOM 0 HG12 ILE C 22 0.679 3.064 7.769 1.00 0.00 H new ATOM 0 HG13 ILE C 22 -0.962 3.257 8.352 1.00 0.00 H new ATOM 0 HG21 ILE C 22 0.624 5.279 6.817 1.00 0.00 H new ATOM 0 HG22 ILE C 22 -0.587 5.741 5.598 1.00 0.00 H new ATOM 0 HG23 ILE C 22 -1.068 5.544 7.301 1.00 0.00 H new ATOM 0 HD11 ILE C 22 -0.347 0.870 8.239 1.00 0.00 H new ATOM 0 HD12 ILE C 22 -1.662 1.230 7.094 1.00 0.00 H new ATOM 0 HD13 ILE C 22 0.005 1.034 6.502 1.00 0.00 H new ATOM 1988 N LEU C 23 -4.140 2.622 6.992 1.00 0.00 N ATOM 1989 CA LEU C 23 -5.224 2.643 7.963 1.00 0.00 C ATOM 1990 C LEU C 23 -4.729 2.227 9.349 1.00 0.00 C ATOM 1991 O LEU C 23 -5.262 2.697 10.352 1.00 0.00 O ATOM 1992 CB LEU C 23 -6.322 1.688 7.493 1.00 0.00 C ATOM 1993 CG LEU C 23 -6.781 1.980 6.058 1.00 0.00 C ATOM 1994 CD1 LEU C 23 -7.826 0.957 5.642 1.00 0.00 C ATOM 1995 CD2 LEU C 23 -7.409 3.367 5.931 1.00 0.00 C ATOM 0 H LEU C 23 -4.177 1.833 6.347 1.00 0.00 H new ATOM 0 HA LEU C 23 -5.614 3.658 8.039 1.00 0.00 H new ATOM 0 HB2 LEU C 23 -5.957 0.663 7.553 1.00 0.00 H new ATOM 0 HB3 LEU C 23 -7.176 1.762 8.166 1.00 0.00 H new ATOM 0 HG LEU C 23 -5.899 1.931 5.420 1.00 0.00 H new ATOM 0 HD11 LEU C 23 -8.152 1.164 4.623 1.00 0.00 H new ATOM 0 HD12 LEU C 23 -7.395 -0.043 5.689 1.00 0.00 H new ATOM 0 HD13 LEU C 23 -8.681 1.016 6.316 1.00 0.00 H new ATOM 0 HD21 LEU C 23 -7.720 3.533 4.899 1.00 0.00 H new ATOM 0 HD22 LEU C 23 -8.277 3.435 6.587 1.00 0.00 H new ATOM 0 HD23 LEU C 23 -6.679 4.124 6.216 1.00 0.00 H new ATOM 2007 N GLY C 24 -3.717 1.355 9.418 1.00 0.00 N ATOM 2008 CA GLY C 24 -3.111 1.005 10.698 1.00 0.00 C ATOM 2009 C GLY C 24 -2.361 -0.322 10.648 1.00 0.00 C ATOM 2010 O GLY C 24 -2.226 -0.917 9.578 1.00 0.00 O ATOM 0 H GLY C 24 -3.307 0.886 8.610 1.00 0.00 H new ATOM 0 HA2 GLY C 24 -2.424 1.796 10.999 1.00 0.00 H new ATOM 0 HA3 GLY C 24 -3.888 0.951 11.461 1.00 0.00 H new ATOM 2014 N VAL C 25 -1.878 -0.789 11.803 1.00 0.00 N ATOM 2015 CA VAL C 25 -1.154 -2.057 11.894 1.00 0.00 C ATOM 2016 C VAL C 25 -1.615 -2.854 13.113 1.00 0.00 C ATOM 2017 O VAL C 25 -2.195 -2.295 14.044 1.00 0.00 O ATOM 2018 CB VAL C 25 0.371 -1.839 11.948 1.00 0.00 C ATOM 2019 CG1 VAL C 25 0.829 -0.789 10.932 1.00 0.00 C ATOM 2020 CG2 VAL C 25 0.839 -1.411 13.344 1.00 0.00 C ATOM 0 H VAL C 25 -1.977 -0.302 12.694 1.00 0.00 H new ATOM 0 HA VAL C 25 -1.379 -2.626 10.992 1.00 0.00 H new ATOM 0 HB VAL C 25 0.821 -2.801 11.701 1.00 0.00 H new ATOM 0 HG11 VAL C 25 1.910 -0.663 11.001 1.00 0.00 H new ATOM 0 HG12 VAL C 25 0.565 -1.116 9.926 1.00 0.00 H new ATOM 0 HG13 VAL C 25 0.339 0.161 11.145 1.00 0.00 H new ATOM 0 HG21 VAL C 25 1.920 -1.268 13.338 1.00 0.00 H new ATOM 0 HG22 VAL C 25 0.351 -0.476 13.621 1.00 0.00 H new ATOM 0 HG23 VAL C 25 0.579 -2.184 14.068 1.00 0.00 H new ATOM 2030 N SER C 26 -1.345 -4.159 13.098 1.00 0.00 N ATOM 2031 CA SER C 26 -1.665 -5.073 14.189 1.00 0.00 C ATOM 2032 C SER C 26 -0.618 -6.178 14.198 1.00 0.00 C ATOM 2033 O SER C 26 -0.651 -7.069 13.351 1.00 0.00 O ATOM 2034 CB SER C 26 -3.053 -5.685 13.986 1.00 0.00 C ATOM 2035 OG SER C 26 -4.049 -4.679 13.980 1.00 0.00 O ATOM 0 H SER C 26 -0.888 -4.618 12.310 1.00 0.00 H new ATOM 0 HA SER C 26 -1.665 -4.533 15.136 1.00 0.00 H new ATOM 0 HB2 SER C 26 -3.079 -6.235 13.045 1.00 0.00 H new ATOM 0 HB3 SER C 26 -3.259 -6.403 14.780 1.00 0.00 H new ATOM 0 HG SER C 26 -4.929 -5.090 13.847 1.00 0.00 H new ATOM 2041 N GLY C 27 0.315 -6.124 15.150 1.00 0.00 N ATOM 2042 CA GLY C 27 1.457 -7.025 15.163 1.00 0.00 C ATOM 2043 C GLY C 27 2.338 -6.719 13.966 1.00 0.00 C ATOM 2044 O GLY C 27 3.134 -5.784 14.007 1.00 0.00 O ATOM 0 H GLY C 27 0.297 -5.460 15.924 1.00 0.00 H new ATOM 0 HA2 GLY C 27 2.022 -6.904 16.087 1.00 0.00 H new ATOM 0 HA3 GLY C 27 1.120 -8.061 15.128 1.00 0.00 H new ATOM 2048 N GLN C 28 2.196 -7.508 12.898 1.00 0.00 N ATOM 2049 CA GLN C 28 2.891 -7.279 11.638 1.00 0.00 C ATOM 2050 C GLN C 28 1.895 -7.154 10.493 1.00 0.00 C ATOM 2051 O GLN C 28 2.300 -6.945 9.350 1.00 0.00 O ATOM 2052 CB GLN C 28 3.867 -8.419 11.350 1.00 0.00 C ATOM 2053 CG GLN C 28 5.058 -8.477 12.304 1.00 0.00 C ATOM 2054 CD GLN C 28 5.960 -7.246 12.219 1.00 0.00 C ATOM 2055 OE1 GLN C 28 7.023 -7.295 11.614 1.00 0.00 O ATOM 2056 NE2 GLN C 28 5.553 -6.131 12.822 1.00 0.00 N ATOM 0 H GLN C 28 1.590 -8.328 12.888 1.00 0.00 H new ATOM 0 HA GLN C 28 3.450 -6.347 11.724 1.00 0.00 H new ATOM 0 HB2 GLN C 28 3.328 -9.365 11.401 1.00 0.00 H new ATOM 0 HB3 GLN C 28 4.237 -8.317 10.330 1.00 0.00 H new ATOM 0 HG2 GLN C 28 4.692 -8.581 13.325 1.00 0.00 H new ATOM 0 HG3 GLN C 28 5.648 -9.367 12.085 1.00 0.00 H new ATOM 0 HE21 GLN C 28 4.663 -6.116 13.320 1.00 0.00 H new ATOM 0 HE22 GLN C 28 6.131 -5.292 12.786 1.00 0.00 H new ATOM 2065 N GLN C 29 0.598 -7.281 10.787 1.00 0.00 N ATOM 2066 CA GLN C 29 -0.437 -7.031 9.798 1.00 0.00 C ATOM 2067 C GLN C 29 -0.536 -5.528 9.587 1.00 0.00 C ATOM 2068 O GLN C 29 -0.183 -4.749 10.470 1.00 0.00 O ATOM 2069 CB GLN C 29 -1.777 -7.561 10.292 1.00 0.00 C ATOM 2070 CG GLN C 29 -1.785 -9.087 10.306 1.00 0.00 C ATOM 2071 CD GLN C 29 -2.950 -9.649 11.099 1.00 0.00 C ATOM 2072 OE1 GLN C 29 -4.060 -8.923 11.152 1.00 0.00 O flip ATOM 2073 NE2 GLN C 29 -2.841 -10.738 11.656 1.00 0.00 N flip ATOM 0 H GLN C 29 0.246 -7.556 11.704 1.00 0.00 H new ATOM 0 HA GLN C 29 -0.186 -7.535 8.865 1.00 0.00 H new ATOM 0 HB2 GLN C 29 -1.975 -7.183 11.295 1.00 0.00 H new ATOM 0 HB3 GLN C 29 -2.577 -7.195 9.649 1.00 0.00 H new ATOM 0 HG2 GLN C 29 -1.833 -9.457 9.282 1.00 0.00 H new ATOM 0 HG3 GLN C 29 -0.850 -9.449 10.732 1.00 0.00 H new ATOM 0 HE21 GLN C 29 -1.968 -11.261 11.588 1.00 0.00 H new ATOM 0 HE22 GLN C 29 -3.624 -11.120 12.187 1.00 0.00 H new ATOM 2082 N VAL C 30 -1.020 -5.126 8.414 1.00 0.00 N ATOM 2083 CA VAL C 30 -1.187 -3.730 8.084 1.00 0.00 C ATOM 2084 C VAL C 30 -2.480 -3.584 7.301 1.00 0.00 C ATOM 2085 O VAL C 30 -2.626 -4.182 6.235 1.00 0.00 O ATOM 2086 CB VAL C 30 0.000 -3.261 7.233 1.00 0.00 C ATOM 2087 CG1 VAL C 30 -0.140 -1.771 6.934 1.00 0.00 C ATOM 2088 CG2 VAL C 30 1.328 -3.482 7.956 1.00 0.00 C ATOM 0 H VAL C 30 -1.305 -5.766 7.672 1.00 0.00 H new ATOM 0 HA VAL C 30 -1.228 -3.123 8.989 1.00 0.00 H new ATOM 0 HB VAL C 30 -0.004 -3.843 6.312 1.00 0.00 H new ATOM 0 HG11 VAL C 30 0.704 -1.440 6.329 1.00 0.00 H new ATOM 0 HG12 VAL C 30 -1.067 -1.595 6.389 1.00 0.00 H new ATOM 0 HG13 VAL C 30 -0.157 -1.212 7.870 1.00 0.00 H new ATOM 0 HG21 VAL C 30 2.148 -3.139 7.325 1.00 0.00 H new ATOM 0 HG22 VAL C 30 1.331 -2.922 8.891 1.00 0.00 H new ATOM 0 HG23 VAL C 30 1.454 -4.544 8.169 1.00 0.00 H new ATOM 2098 N ARG C 31 -3.418 -2.793 7.827 1.00 0.00 N ATOM 2099 CA ARG C 31 -4.593 -2.419 7.058 1.00 0.00 C ATOM 2100 C ARG C 31 -4.175 -1.311 6.108 1.00 0.00 C ATOM 2101 O ARG C 31 -3.709 -0.257 6.550 1.00 0.00 O ATOM 2102 CB ARG C 31 -5.726 -1.910 7.946 1.00 0.00 C ATOM 2103 CG ARG C 31 -6.529 -3.042 8.586 1.00 0.00 C ATOM 2104 CD ARG C 31 -7.941 -2.545 8.912 1.00 0.00 C ATOM 2105 NE ARG C 31 -7.939 -1.442 9.882 1.00 0.00 N ATOM 2106 CZ ARG C 31 -9.033 -0.737 10.196 1.00 0.00 C ATOM 2107 NH1 ARG C 31 -10.203 -1.019 9.630 1.00 0.00 N ATOM 2108 NH2 ARG C 31 -8.958 0.253 11.078 1.00 0.00 N ATOM 0 H ARG C 31 -3.383 -2.407 8.770 1.00 0.00 H new ATOM 0 HA ARG C 31 -4.965 -3.297 6.530 1.00 0.00 H new ATOM 0 HB2 ARG C 31 -5.311 -1.276 8.730 1.00 0.00 H new ATOM 0 HB3 ARG C 31 -6.395 -1.286 7.353 1.00 0.00 H new ATOM 0 HG2 ARG C 31 -6.579 -3.895 7.909 1.00 0.00 H new ATOM 0 HG3 ARG C 31 -6.034 -3.385 9.494 1.00 0.00 H new ATOM 0 HD2 ARG C 31 -8.428 -2.216 7.994 1.00 0.00 H new ATOM 0 HD3 ARG C 31 -8.531 -3.371 9.308 1.00 0.00 H new ATOM 0 HE ARG C 31 -7.060 -1.201 10.339 1.00 0.00 H new ATOM 0 HH11 ARG C 31 -10.272 -1.777 8.951 1.00 0.00 H new ATOM 0 HH12 ARG C 31 -11.032 -0.477 9.875 1.00 0.00 H new ATOM 0 HH21 ARG C 31 -8.066 0.478 11.518 1.00 0.00 H new ATOM 0 HH22 ARG C 31 -9.793 0.789 11.316 1.00 0.00 H new ATOM 2122 N ILE C 32 -4.349 -1.562 4.812 1.00 0.00 N ATOM 2123 CA ILE C 32 -4.001 -0.617 3.768 1.00 0.00 C ATOM 2124 C ILE C 32 -5.244 -0.356 2.934 1.00 0.00 C ATOM 2125 O ILE C 32 -5.893 -1.296 2.477 1.00 0.00 O ATOM 2126 CB ILE C 32 -2.874 -1.185 2.895 1.00 0.00 C ATOM 2127 CG1 ILE C 32 -1.746 -1.764 3.762 1.00 0.00 C ATOM 2128 CG2 ILE C 32 -2.347 -0.071 1.982 1.00 0.00 C ATOM 2129 CD1 ILE C 32 -0.547 -2.243 2.941 1.00 0.00 C ATOM 0 H ILE C 32 -4.739 -2.436 4.460 1.00 0.00 H new ATOM 0 HA ILE C 32 -3.646 0.316 4.205 1.00 0.00 H new ATOM 0 HB ILE C 32 -3.263 -2.000 2.285 1.00 0.00 H new ATOM 0 HG12 ILE C 32 -1.414 -1.005 4.471 1.00 0.00 H new ATOM 0 HG13 ILE C 32 -2.136 -2.598 4.346 1.00 0.00 H new ATOM 0 HG21 ILE C 32 -1.545 -0.462 1.356 1.00 0.00 H new ATOM 0 HG22 ILE C 32 -3.156 0.294 1.349 1.00 0.00 H new ATOM 0 HG23 ILE C 32 -1.965 0.748 2.591 1.00 0.00 H new ATOM 0 HD11 ILE C 32 0.216 -2.641 3.610 1.00 0.00 H new ATOM 0 HD12 ILE C 32 -0.867 -3.023 2.250 1.00 0.00 H new ATOM 0 HD13 ILE C 32 -0.135 -1.406 2.377 1.00 0.00 H new ATOM 2141 N GLY C 33 -5.576 0.920 2.741 1.00 0.00 N ATOM 2142 CA GLY C 33 -6.717 1.329 1.946 1.00 0.00 C ATOM 2143 C GLY C 33 -6.228 1.809 0.591 1.00 0.00 C ATOM 2144 O GLY C 33 -5.122 2.334 0.477 1.00 0.00 O ATOM 0 H GLY C 33 -5.052 1.700 3.138 1.00 0.00 H new ATOM 0 HA2 GLY C 33 -7.409 0.496 1.823 1.00 0.00 H new ATOM 0 HA3 GLY C 33 -7.263 2.125 2.453 1.00 0.00 H new ATOM 2148 N ILE C 34 -7.058 1.625 -0.435 1.00 0.00 N ATOM 2149 CA ILE C 34 -6.729 2.046 -1.783 1.00 0.00 C ATOM 2150 C ILE C 34 -7.951 2.736 -2.369 1.00 0.00 C ATOM 2151 O ILE C 34 -9.083 2.346 -2.089 1.00 0.00 O ATOM 2152 CB ILE C 34 -6.307 0.830 -2.618 1.00 0.00 C ATOM 2153 CG1 ILE C 34 -5.123 0.129 -1.936 1.00 0.00 C ATOM 2154 CG2 ILE C 34 -5.938 1.282 -4.033 1.00 0.00 C ATOM 2155 CD1 ILE C 34 -4.676 -1.129 -2.677 1.00 0.00 C ATOM 0 H ILE C 34 -7.972 1.181 -0.349 1.00 0.00 H new ATOM 0 HA ILE C 34 -5.891 2.744 -1.783 1.00 0.00 H new ATOM 0 HB ILE C 34 -7.133 0.122 -2.690 1.00 0.00 H new ATOM 0 HG12 ILE C 34 -4.285 0.823 -1.869 1.00 0.00 H new ATOM 0 HG13 ILE C 34 -5.401 -0.135 -0.916 1.00 0.00 H new ATOM 0 HG21 ILE C 34 -5.638 0.417 -4.625 1.00 0.00 H new ATOM 0 HG22 ILE C 34 -6.800 1.759 -4.499 1.00 0.00 H new ATOM 0 HG23 ILE C 34 -5.112 1.992 -3.984 1.00 0.00 H new ATOM 0 HD11 ILE C 34 -3.837 -1.583 -2.150 1.00 0.00 H new ATOM 0 HD12 ILE C 34 -5.503 -1.838 -2.721 1.00 0.00 H new ATOM 0 HD13 ILE C 34 -4.369 -0.865 -3.689 1.00 0.00 H new ATOM 2167 N ASN C 35 -7.722 3.759 -3.190 1.00 0.00 N ATOM 2168 CA ASN C 35 -8.794 4.529 -3.788 1.00 0.00 C ATOM 2169 C ASN C 35 -8.474 4.761 -5.259 1.00 0.00 C ATOM 2170 O ASN C 35 -7.638 5.598 -5.598 1.00 0.00 O ATOM 2171 CB ASN C 35 -8.959 5.838 -3.015 1.00 0.00 C ATOM 2172 CG ASN C 35 -10.196 6.612 -3.448 1.00 0.00 C ATOM 2173 OD1 ASN C 35 -10.940 6.185 -4.330 1.00 0.00 O ATOM 2174 ND2 ASN C 35 -10.427 7.767 -2.826 1.00 0.00 N ATOM 0 H ASN C 35 -6.788 4.072 -3.455 1.00 0.00 H new ATOM 0 HA ASN C 35 -9.741 3.992 -3.735 1.00 0.00 H new ATOM 0 HB2 ASN C 35 -9.023 5.622 -1.949 1.00 0.00 H new ATOM 0 HB3 ASN C 35 -8.075 6.458 -3.162 1.00 0.00 H new ATOM 0 HD21 ASN C 35 -11.242 8.327 -3.077 1.00 0.00 H new ATOM 0 HD22 ASN C 35 -9.789 8.091 -2.099 1.00 0.00 H new ATOM 2181 N ALA C 36 -9.157 4.000 -6.115 1.00 0.00 N ATOM 2182 CA ALA C 36 -8.975 4.053 -7.553 1.00 0.00 C ATOM 2183 C ALA C 36 -10.323 3.817 -8.235 1.00 0.00 C ATOM 2184 O ALA C 36 -11.199 3.178 -7.655 1.00 0.00 O ATOM 2185 CB ALA C 36 -7.974 2.967 -7.949 1.00 0.00 C ATOM 0 H ALA C 36 -9.860 3.323 -5.818 1.00 0.00 H new ATOM 0 HA ALA C 36 -8.594 5.026 -7.862 1.00 0.00 H new ATOM 0 HB1 ALA C 36 -7.822 2.989 -9.028 1.00 0.00 H new ATOM 0 HB2 ALA C 36 -7.024 3.146 -7.445 1.00 0.00 H new ATOM 0 HB3 ALA C 36 -8.361 1.991 -7.657 1.00 0.00 H new ATOM 2191 N PRO C 37 -10.506 4.319 -9.462 1.00 0.00 N ATOM 2192 CA PRO C 37 -11.725 4.110 -10.221 1.00 0.00 C ATOM 2193 C PRO C 37 -11.823 2.657 -10.671 1.00 0.00 C ATOM 2194 O PRO C 37 -10.810 1.989 -10.864 1.00 0.00 O ATOM 2195 CB PRO C 37 -11.608 5.043 -11.425 1.00 0.00 C ATOM 2196 CG PRO C 37 -10.101 5.191 -11.626 1.00 0.00 C ATOM 2197 CD PRO C 37 -9.552 5.121 -10.205 1.00 0.00 C ATOM 0 HA PRO C 37 -12.619 4.318 -9.633 1.00 0.00 H new ATOM 0 HB2 PRO C 37 -12.090 4.620 -12.307 1.00 0.00 H new ATOM 0 HB3 PRO C 37 -12.082 6.005 -11.233 1.00 0.00 H new ATOM 0 HG2 PRO C 37 -9.698 4.396 -12.253 1.00 0.00 H new ATOM 0 HG3 PRO C 37 -9.850 6.135 -12.109 1.00 0.00 H new ATOM 0 HD2 PRO C 37 -8.561 4.668 -10.189 1.00 0.00 H new ATOM 0 HD3 PRO C 37 -9.454 6.117 -9.772 1.00 0.00 H new ATOM 2205 N LYS C 38 -13.052 2.151 -10.842 1.00 0.00 N ATOM 2206 CA LYS C 38 -13.271 0.804 -11.359 1.00 0.00 C ATOM 2207 C LYS C 38 -12.782 0.700 -12.803 1.00 0.00 C ATOM 2208 O LYS C 38 -12.855 -0.362 -13.415 1.00 0.00 O ATOM 2209 CB LYS C 38 -14.754 0.439 -11.237 1.00 0.00 C ATOM 2210 CG LYS C 38 -15.152 0.248 -9.765 1.00 0.00 C ATOM 2211 CD LYS C 38 -14.624 -1.065 -9.162 1.00 0.00 C ATOM 2212 CE LYS C 38 -15.624 -2.209 -9.321 1.00 0.00 C ATOM 2213 NZ LYS C 38 -15.910 -2.515 -10.733 1.00 0.00 N ATOM 0 H LYS C 38 -13.909 2.661 -10.627 1.00 0.00 H new ATOM 0 HA LYS C 38 -12.696 0.091 -10.768 1.00 0.00 H new ATOM 0 HB2 LYS C 38 -15.364 1.224 -11.684 1.00 0.00 H new ATOM 0 HB3 LYS C 38 -14.954 -0.476 -11.794 1.00 0.00 H new ATOM 0 HG2 LYS C 38 -14.774 1.087 -9.181 1.00 0.00 H new ATOM 0 HG3 LYS C 38 -16.239 0.267 -9.683 1.00 0.00 H new ATOM 0 HD2 LYS C 38 -13.685 -1.334 -9.645 1.00 0.00 H new ATOM 0 HD3 LYS C 38 -14.407 -0.917 -8.104 1.00 0.00 H new ATOM 0 HE2 LYS C 38 -15.232 -3.101 -8.831 1.00 0.00 H new ATOM 0 HE3 LYS C 38 -16.553 -1.949 -8.813 1.00 0.00 H new ATOM 0 HZ1 LYS C 38 -16.335 -3.462 -10.804 1.00 0.00 H new ATOM 0 HZ2 LYS C 38 -16.572 -1.809 -11.114 1.00 0.00 H new ATOM 0 HZ3 LYS C 38 -15.026 -2.491 -11.280 1.00 0.00 H new ATOM 2227 N ASP C 39 -12.280 1.813 -13.350 1.00 0.00 N ATOM 2228 CA ASP C 39 -11.639 1.865 -14.650 1.00 0.00 C ATOM 2229 C ASP C 39 -10.286 1.149 -14.620 1.00 0.00 C ATOM 2230 O ASP C 39 -9.683 0.919 -15.669 1.00 0.00 O ATOM 2231 CB ASP C 39 -11.446 3.338 -15.028 1.00 0.00 C ATOM 2232 CG ASP C 39 -11.029 3.504 -16.485 1.00 0.00 C ATOM 2233 OD1 ASP C 39 -11.794 3.040 -17.361 1.00 0.00 O ATOM 2234 OD2 ASP C 39 -9.946 4.089 -16.715 1.00 0.00 O ATOM 0 H ASP C 39 -12.314 2.719 -12.882 1.00 0.00 H new ATOM 0 HA ASP C 39 -12.264 1.361 -15.387 1.00 0.00 H new ATOM 0 HB2 ASP C 39 -12.374 3.882 -14.852 1.00 0.00 H new ATOM 0 HB3 ASP C 39 -10.689 3.782 -14.381 1.00 0.00 H new ATOM 2239 N VAL C 40 -9.808 0.799 -13.419 1.00 0.00 N ATOM 2240 CA VAL C 40 -8.546 0.090 -13.231 1.00 0.00 C ATOM 2241 C VAL C 40 -8.718 -0.988 -12.162 1.00 0.00 C ATOM 2242 O VAL C 40 -9.653 -0.939 -11.361 1.00 0.00 O ATOM 2243 CB VAL C 40 -7.422 1.063 -12.842 1.00 0.00 C ATOM 2244 CG1 VAL C 40 -7.297 2.189 -13.870 1.00 0.00 C ATOM 2245 CG2 VAL C 40 -7.653 1.696 -11.473 1.00 0.00 C ATOM 0 H VAL C 40 -10.294 1.004 -12.546 1.00 0.00 H new ATOM 0 HA VAL C 40 -8.265 -0.382 -14.172 1.00 0.00 H new ATOM 0 HB VAL C 40 -6.507 0.472 -12.810 1.00 0.00 H new ATOM 0 HG11 VAL C 40 -6.495 2.865 -13.573 1.00 0.00 H new ATOM 0 HG12 VAL C 40 -7.071 1.765 -14.848 1.00 0.00 H new ATOM 0 HG13 VAL C 40 -8.236 2.740 -13.922 1.00 0.00 H new ATOM 0 HG21 VAL C 40 -6.832 2.375 -11.243 1.00 0.00 H new ATOM 0 HG22 VAL C 40 -8.591 2.251 -11.482 1.00 0.00 H new ATOM 0 HG23 VAL C 40 -7.701 0.915 -10.714 1.00 0.00 H new ATOM 2255 N ALA C 41 -7.815 -1.971 -12.147 1.00 0.00 N ATOM 2256 CA ALA C 41 -7.914 -3.097 -11.233 1.00 0.00 C ATOM 2257 C ALA C 41 -6.998 -2.913 -10.026 1.00 0.00 C ATOM 2258 O ALA C 41 -6.011 -2.183 -10.088 1.00 0.00 O ATOM 2259 CB ALA C 41 -7.535 -4.367 -11.995 1.00 0.00 C ATOM 0 H ALA C 41 -7.004 -2.004 -12.764 1.00 0.00 H new ATOM 0 HA ALA C 41 -8.935 -3.169 -10.858 1.00 0.00 H new ATOM 0 HB1 ALA C 41 -7.602 -5.226 -11.327 1.00 0.00 H new ATOM 0 HB2 ALA C 41 -8.217 -4.505 -12.834 1.00 0.00 H new ATOM 0 HB3 ALA C 41 -6.515 -4.277 -12.368 1.00 0.00 H new ATOM 2265 N VAL C 42 -7.336 -3.581 -8.920 1.00 0.00 N ATOM 2266 CA VAL C 42 -6.495 -3.618 -7.733 1.00 0.00 C ATOM 2267 C VAL C 42 -6.785 -4.905 -6.962 1.00 0.00 C ATOM 2268 O VAL C 42 -7.946 -5.258 -6.768 1.00 0.00 O ATOM 2269 CB VAL C 42 -6.753 -2.367 -6.877 1.00 0.00 C ATOM 2270 CG1 VAL C 42 -8.239 -2.123 -6.632 1.00 0.00 C ATOM 2271 CG2 VAL C 42 -6.064 -2.460 -5.522 1.00 0.00 C ATOM 0 H VAL C 42 -8.203 -4.110 -8.828 1.00 0.00 H new ATOM 0 HA VAL C 42 -5.441 -3.614 -8.010 1.00 0.00 H new ATOM 0 HB VAL C 42 -6.342 -1.536 -7.451 1.00 0.00 H new ATOM 0 HG11 VAL C 42 -8.365 -1.228 -6.023 1.00 0.00 H new ATOM 0 HG12 VAL C 42 -8.748 -1.987 -7.586 1.00 0.00 H new ATOM 0 HG13 VAL C 42 -8.667 -2.980 -6.112 1.00 0.00 H new ATOM 0 HG21 VAL C 42 -6.270 -1.558 -4.946 1.00 0.00 H new ATOM 0 HG22 VAL C 42 -6.440 -3.329 -4.982 1.00 0.00 H new ATOM 0 HG23 VAL C 42 -4.988 -2.560 -5.667 1.00 0.00 H new ATOM 2281 N HIS C 43 -5.738 -5.611 -6.520 1.00 0.00 N ATOM 2282 CA HIS C 43 -5.894 -6.874 -5.806 1.00 0.00 C ATOM 2283 C HIS C 43 -4.667 -7.192 -4.968 1.00 0.00 C ATOM 2284 O HIS C 43 -3.662 -6.489 -5.036 1.00 0.00 O ATOM 2285 CB HIS C 43 -6.017 -8.034 -6.805 1.00 0.00 C ATOM 2286 CG HIS C 43 -6.949 -7.818 -7.958 1.00 0.00 C ATOM 2287 ND1 HIS C 43 -8.336 -7.985 -7.924 1.00 0.00 N ATOM 2288 CD2 HIS C 43 -6.560 -7.433 -9.204 1.00 0.00 C ATOM 2289 CE1 HIS C 43 -8.749 -7.700 -9.168 1.00 0.00 C ATOM 2290 NE2 HIS C 43 -7.710 -7.373 -9.959 1.00 0.00 N ATOM 0 H HIS C 43 -4.768 -5.322 -6.648 1.00 0.00 H new ATOM 0 HA HIS C 43 -6.781 -6.769 -5.181 1.00 0.00 H new ATOM 0 HB2 HIS C 43 -5.025 -8.251 -7.202 1.00 0.00 H new ATOM 0 HB3 HIS C 43 -6.344 -8.921 -6.262 1.00 0.00 H new ATOM 0 HD1 HIS C 43 -8.909 -8.263 -7.127 1.00 0.00 H new ATOM 0 HD2 HIS C 43 -5.554 -7.218 -9.534 1.00 0.00 H new ATOM 0 HE1 HIS C 43 -9.779 -7.729 -9.492 1.00 0.00 H new ATOM 2298 N ARG C 44 -4.753 -8.260 -4.175 1.00 0.00 N ATOM 2299 CA ARG C 44 -3.585 -8.835 -3.520 1.00 0.00 C ATOM 2300 C ARG C 44 -2.735 -9.519 -4.585 1.00 0.00 C ATOM 2301 O ARG C 44 -3.209 -9.775 -5.692 1.00 0.00 O ATOM 2302 CB ARG C 44 -4.037 -9.832 -2.459 1.00 0.00 C ATOM 2303 CG ARG C 44 -4.602 -9.072 -1.259 1.00 0.00 C ATOM 2304 CD ARG C 44 -5.292 -10.034 -0.297 1.00 0.00 C ATOM 2305 NE ARG C 44 -6.585 -10.461 -0.847 1.00 0.00 N ATOM 2306 CZ ARG C 44 -7.034 -11.716 -0.884 1.00 0.00 C ATOM 2307 NH1 ARG C 44 -6.298 -12.733 -0.438 1.00 0.00 N ATOM 2308 NH2 ARG C 44 -8.238 -11.960 -1.377 1.00 0.00 N ATOM 0 H ARG C 44 -5.627 -8.745 -3.972 1.00 0.00 H new ATOM 0 HA ARG C 44 -2.995 -8.062 -3.027 1.00 0.00 H new ATOM 0 HB2 ARG C 44 -4.794 -10.500 -2.870 1.00 0.00 H new ATOM 0 HB3 ARG C 44 -3.198 -10.454 -2.148 1.00 0.00 H new ATOM 0 HG2 ARG C 44 -3.799 -8.545 -0.743 1.00 0.00 H new ATOM 0 HG3 ARG C 44 -5.311 -8.317 -1.599 1.00 0.00 H new ATOM 0 HD2 ARG C 44 -4.658 -10.903 -0.123 1.00 0.00 H new ATOM 0 HD3 ARG C 44 -5.441 -9.550 0.668 1.00 0.00 H new ATOM 0 HE ARG C 44 -7.190 -9.737 -1.233 1.00 0.00 H new ATOM 0 HH11 ARG C 44 -5.368 -12.561 -0.057 1.00 0.00 H new ATOM 0 HH12 ARG C 44 -6.665 -13.684 -0.478 1.00 0.00 H new ATOM 0 HH21 ARG C 44 -8.812 -11.192 -1.724 1.00 0.00 H new ATOM 0 HH22 ARG C 44 -8.591 -12.916 -1.410 1.00 0.00 H new ATOM 2322 N GLU C 45 -1.479 -9.818 -4.265 1.00 0.00 N ATOM 2323 CA GLU C 45 -0.567 -10.424 -5.226 1.00 0.00 C ATOM 2324 C GLU C 45 -1.047 -11.824 -5.622 1.00 0.00 C ATOM 2325 O GLU C 45 -0.818 -12.263 -6.746 1.00 0.00 O ATOM 2326 CB GLU C 45 0.831 -10.450 -4.601 1.00 0.00 C ATOM 2327 CG GLU C 45 1.934 -10.490 -5.661 1.00 0.00 C ATOM 2328 CD GLU C 45 2.068 -11.844 -6.347 1.00 0.00 C ATOM 2329 OE1 GLU C 45 2.161 -12.862 -5.623 1.00 0.00 O ATOM 2330 OE2 GLU C 45 2.078 -11.843 -7.598 1.00 0.00 O ATOM 0 H GLU C 45 -1.071 -9.650 -3.346 1.00 0.00 H new ATOM 0 HA GLU C 45 -0.537 -9.839 -6.145 1.00 0.00 H new ATOM 0 HB2 GLU C 45 0.964 -9.569 -3.973 1.00 0.00 H new ATOM 0 HB3 GLU C 45 0.921 -11.321 -3.951 1.00 0.00 H new ATOM 0 HG2 GLU C 45 1.731 -9.728 -6.414 1.00 0.00 H new ATOM 0 HG3 GLU C 45 2.885 -10.232 -5.195 1.00 0.00 H new ATOM 2337 N GLU C 46 -1.719 -12.531 -4.705 1.00 0.00 N ATOM 2338 CA GLU C 46 -2.280 -13.846 -4.977 1.00 0.00 C ATOM 2339 C GLU C 46 -3.418 -13.741 -5.990 1.00 0.00 C ATOM 2340 O GLU C 46 -3.452 -14.459 -6.987 1.00 0.00 O ATOM 2341 CB GLU C 46 -2.872 -14.405 -3.678 1.00 0.00 C ATOM 2342 CG GLU C 46 -3.460 -15.803 -3.881 1.00 0.00 C ATOM 2343 CD GLU C 46 -2.365 -16.836 -4.142 1.00 0.00 C ATOM 2344 OE1 GLU C 46 -1.716 -17.247 -3.152 1.00 0.00 O ATOM 2345 OE2 GLU C 46 -2.184 -17.211 -5.322 1.00 0.00 O ATOM 0 H GLU C 46 -1.885 -12.201 -3.754 1.00 0.00 H new ATOM 0 HA GLU C 46 -1.492 -14.488 -5.369 1.00 0.00 H new ATOM 0 HB2 GLU C 46 -2.098 -14.443 -2.912 1.00 0.00 H new ATOM 0 HB3 GLU C 46 -3.649 -13.733 -3.313 1.00 0.00 H new ATOM 0 HG2 GLU C 46 -4.031 -16.091 -2.998 1.00 0.00 H new ATOM 0 HG3 GLU C 46 -4.156 -15.788 -4.720 1.00 0.00 H new ATOM 2352 N ILE C 47 -4.348 -12.829 -5.710 1.00 0.00 N ATOM 2353 CA ILE C 47 -5.574 -12.683 -6.470 1.00 0.00 C ATOM 2354 C ILE C 47 -5.289 -12.086 -7.838 1.00 0.00 C ATOM 2355 O ILE C 47 -5.966 -12.427 -8.804 1.00 0.00 O ATOM 2356 CB ILE C 47 -6.527 -11.805 -5.658 1.00 0.00 C ATOM 2357 CG1 ILE C 47 -6.850 -12.448 -4.305 1.00 0.00 C ATOM 2358 CG2 ILE C 47 -7.822 -11.559 -6.424 1.00 0.00 C ATOM 2359 CD1 ILE C 47 -7.254 -13.920 -4.419 1.00 0.00 C ATOM 0 H ILE C 47 -4.264 -12.167 -4.939 1.00 0.00 H new ATOM 0 HA ILE C 47 -6.034 -13.656 -6.644 1.00 0.00 H new ATOM 0 HB ILE C 47 -6.027 -10.852 -5.486 1.00 0.00 H new ATOM 0 HG12 ILE C 47 -5.980 -12.366 -3.654 1.00 0.00 H new ATOM 0 HG13 ILE C 47 -7.658 -11.892 -3.829 1.00 0.00 H new ATOM 0 HG21 ILE C 47 -8.484 -10.932 -5.827 1.00 0.00 H new ATOM 0 HG22 ILE C 47 -7.598 -11.057 -7.365 1.00 0.00 H new ATOM 0 HG23 ILE C 47 -8.311 -12.512 -6.628 1.00 0.00 H new ATOM 0 HD11 ILE C 47 -7.470 -14.316 -3.427 1.00 0.00 H new ATOM 0 HD12 ILE C 47 -8.142 -14.006 -5.045 1.00 0.00 H new ATOM 0 HD13 ILE C 47 -6.438 -14.488 -4.867 1.00 0.00 H new ATOM 2371 N TYR C 48 -4.294 -11.203 -7.939 1.00 0.00 N ATOM 2372 CA TYR C 48 -3.965 -10.597 -9.215 1.00 0.00 C ATOM 2373 C TYR C 48 -3.640 -11.669 -10.254 1.00 0.00 C ATOM 2374 O TYR C 48 -4.077 -11.571 -11.398 1.00 0.00 O ATOM 2375 CB TYR C 48 -2.769 -9.666 -9.040 1.00 0.00 C ATOM 2376 CG TYR C 48 -2.155 -9.262 -10.356 1.00 0.00 C ATOM 2377 CD1 TYR C 48 -2.968 -8.827 -11.414 1.00 0.00 C ATOM 2378 CD2 TYR C 48 -0.765 -9.340 -10.520 1.00 0.00 C ATOM 2379 CE1 TYR C 48 -2.399 -8.504 -12.656 1.00 0.00 C ATOM 2380 CE2 TYR C 48 -0.189 -9.005 -11.751 1.00 0.00 C ATOM 2381 CZ TYR C 48 -1.001 -8.591 -12.826 1.00 0.00 C ATOM 2382 OH TYR C 48 -0.434 -8.280 -14.030 1.00 0.00 O ATOM 0 H TYR C 48 -3.712 -10.899 -7.158 1.00 0.00 H new ATOM 0 HA TYR C 48 -4.826 -10.028 -9.566 1.00 0.00 H new ATOM 0 HB2 TYR C 48 -3.084 -8.773 -8.500 1.00 0.00 H new ATOM 0 HB3 TYR C 48 -2.015 -10.160 -8.427 1.00 0.00 H new ATOM 0 HD1 TYR C 48 -4.035 -8.740 -11.272 1.00 0.00 H new ATOM 0 HD2 TYR C 48 -0.140 -9.658 -9.699 1.00 0.00 H new ATOM 0 HE1 TYR C 48 -3.028 -8.191 -13.476 1.00 0.00 H new ATOM 0 HE2 TYR C 48 0.882 -9.064 -11.878 1.00 0.00 H new ATOM 0 HH TYR C 48 0.538 -8.393 -13.973 1.00 0.00 H new ATOM 2392 N GLN C 49 -2.878 -12.697 -9.867 1.00 0.00 N ATOM 2393 CA GLN C 49 -2.512 -13.758 -10.795 1.00 0.00 C ATOM 2394 C GLN C 49 -3.746 -14.543 -11.225 1.00 0.00 C ATOM 2395 O GLN C 49 -3.726 -15.207 -12.263 1.00 0.00 O ATOM 2396 CB GLN C 49 -1.512 -14.709 -10.140 1.00 0.00 C ATOM 2397 CG GLN C 49 -0.207 -13.993 -9.789 1.00 0.00 C ATOM 2398 CD GLN C 49 0.786 -14.949 -9.133 1.00 0.00 C ATOM 2399 OE1 GLN C 49 0.797 -16.143 -9.420 1.00 0.00 O ATOM 2400 NE2 GLN C 49 1.631 -14.435 -8.245 1.00 0.00 N ATOM 0 H GLN C 49 -2.508 -12.812 -8.924 1.00 0.00 H new ATOM 0 HA GLN C 49 -2.057 -13.300 -11.673 1.00 0.00 H new ATOM 0 HB2 GLN C 49 -1.950 -15.134 -9.237 1.00 0.00 H new ATOM 0 HB3 GLN C 49 -1.303 -15.540 -10.814 1.00 0.00 H new ATOM 0 HG2 GLN C 49 0.233 -13.570 -10.692 1.00 0.00 H new ATOM 0 HG3 GLN C 49 -0.415 -13.161 -9.116 1.00 0.00 H new ATOM 0 HE21 GLN C 49 1.598 -13.439 -8.027 1.00 0.00 H new ATOM 0 HE22 GLN C 49 2.312 -15.036 -7.782 1.00 0.00 H new ATOM 2409 N ARG C 50 -4.828 -14.481 -10.438 1.00 0.00 N ATOM 2410 CA ARG C 50 -6.034 -15.232 -10.733 1.00 0.00 C ATOM 2411 C ARG C 50 -6.912 -14.501 -11.745 1.00 0.00 C ATOM 2412 O ARG C 50 -7.514 -15.145 -12.596 1.00 0.00 O ATOM 2413 CB ARG C 50 -6.794 -15.489 -9.432 1.00 0.00 C ATOM 2414 CG ARG C 50 -7.973 -16.421 -9.697 1.00 0.00 C ATOM 2415 CD ARG C 50 -8.675 -16.740 -8.384 1.00 0.00 C ATOM 2416 NE ARG C 50 -7.850 -17.592 -7.521 1.00 0.00 N ATOM 2417 CZ ARG C 50 -7.940 -17.636 -6.190 1.00 0.00 C ATOM 2418 NH1 ARG C 50 -8.826 -16.883 -5.540 1.00 0.00 N ATOM 2419 NH2 ARG C 50 -7.140 -18.442 -5.495 1.00 0.00 N ATOM 0 H ARG C 50 -4.883 -13.914 -9.592 1.00 0.00 H new ATOM 0 HA ARG C 50 -5.756 -16.185 -11.183 1.00 0.00 H new ATOM 0 HB2 ARG C 50 -6.127 -15.932 -8.692 1.00 0.00 H new ATOM 0 HB3 ARG C 50 -7.150 -14.547 -9.016 1.00 0.00 H new ATOM 0 HG2 ARG C 50 -8.672 -15.953 -10.390 1.00 0.00 H new ATOM 0 HG3 ARG C 50 -7.625 -17.340 -10.168 1.00 0.00 H new ATOM 0 HD2 ARG C 50 -8.910 -15.812 -7.862 1.00 0.00 H new ATOM 0 HD3 ARG C 50 -9.622 -17.239 -8.589 1.00 0.00 H new ATOM 0 HE ARG C 50 -7.159 -18.193 -7.970 1.00 0.00 H new ATOM 0 HH11 ARG C 50 -9.447 -16.263 -6.060 1.00 0.00 H new ATOM 0 HH12 ARG C 50 -8.884 -16.927 -4.523 1.00 0.00 H new ATOM 0 HH21 ARG C 50 -6.458 -19.026 -5.980 1.00 0.00 H new ATOM 0 HH22 ARG C 50 -7.209 -18.476 -4.478 1.00 0.00 H new ATOM 2433 N ILE C 51 -7.004 -13.168 -11.670 1.00 0.00 N ATOM 2434 CA ILE C 51 -7.762 -12.421 -12.668 1.00 0.00 C ATOM 2435 C ILE C 51 -7.120 -12.631 -14.042 1.00 0.00 C ATOM 2436 O ILE C 51 -7.750 -12.395 -15.071 1.00 0.00 O ATOM 2437 CB ILE C 51 -7.866 -10.930 -12.294 1.00 0.00 C ATOM 2438 CG1 ILE C 51 -8.887 -10.695 -11.173 1.00 0.00 C ATOM 2439 CG2 ILE C 51 -8.366 -10.079 -13.471 1.00 0.00 C ATOM 2440 CD1 ILE C 51 -8.369 -11.146 -9.814 1.00 0.00 C ATOM 0 H ILE C 51 -6.571 -12.598 -10.943 1.00 0.00 H new ATOM 0 HA ILE C 51 -8.785 -12.795 -12.702 1.00 0.00 H new ATOM 0 HB ILE C 51 -6.859 -10.646 -11.990 1.00 0.00 H new ATOM 0 HG12 ILE C 51 -9.138 -9.635 -11.130 1.00 0.00 H new ATOM 0 HG13 ILE C 51 -9.807 -11.231 -11.405 1.00 0.00 H new ATOM 0 HG21 ILE C 51 -8.425 -9.034 -13.165 1.00 0.00 H new ATOM 0 HG22 ILE C 51 -7.674 -10.174 -14.308 1.00 0.00 H new ATOM 0 HG23 ILE C 51 -9.354 -10.424 -13.776 1.00 0.00 H new ATOM 0 HD11 ILE C 51 -9.128 -10.958 -9.055 1.00 0.00 H new ATOM 0 HD12 ILE C 51 -8.143 -12.212 -9.846 1.00 0.00 H new ATOM 0 HD13 ILE C 51 -7.464 -10.591 -9.567 1.00 0.00 H new