USER MOD reduce.3.24.130724 H: found=0, std=0, add=651, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 643 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 109 GLN :FLIP amide:sc= -2.84 F(o=-7.1,f=-6.1) USER MOD Set 1.2: A 118 GLN : amide:sc= -3.28! C(o=-6.1!,f=-11!) USER MOD Set 2.1: A 93 CYS SG : rot -151:sc= 0.726 USER MOD Set 2.2: A 96 CYS SG : rot 137:sc= 0.461 USER MOD Set 2.3: A 100 LYS NZ :NH3+ 174:sc= -0.078 (180deg=-0.314) USER MOD Set 2.4: A 117 CYS SG : rot -66:sc= -0.883 USER MOD Set 2.5: A 120 CYS SG : rot 37:sc= -3.88! USER MOD Set 3.1: A 42 CYS SG : rot 156:sc= 0.0973 USER MOD Set 3.2: A 45 CYS SG : rot -56:sc= -1.99! USER MOD Set 3.3: A 54 TYR OH : rot -166:sc= 0.227 USER MOD Set 3.4: A 80 CYS SG : rot 145:sc= 1.62 USER MOD Set 3.5: A 82 THR OG1 : rot -3:sc= 0.892 USER MOD Set 3.6: A 83 CYS SG : rot 95:sc= -2.02 USER MOD Single : A 41 MET CE :methyl 170:sc= -0.0133 (180deg=-0.0174) USER MOD Single : A 43 MET CE :methyl -153:sc= -0.192 (180deg=-1.22) USER MOD Single : A 47 LYS NZ :NH3+ -129:sc= -1.12 (180deg=-1.45) USER MOD Single : A 49 LYS NZ :NH3+ 164:sc= 0.0638 (180deg=0.0218) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc=-0.00831 USER MOD Single : A 56 LYS NZ :NH3+ 161:sc= -0.0671 (180deg=-0.483) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -4.03! C(o=-4!,f=-4.2!) USER MOD Single : A 60 SER OG : rot 83:sc= 1.16 USER MOD Single : A 61 LYS NZ :NH3+ -110:sc= -2.36 (180deg=-5.16!) USER MOD Single : A 62 THR OG1 : rot -85:sc= 0.805 USER MOD Single : A 64 THR OG1 : rot 44:sc= 0.144 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot -96:sc= 1.25 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot 180:sc= -0.334 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 99 THR OG1 : rot -29:sc= 0.203 USER MOD Single : A 103 ASN : amide:sc= -0.109 K(o=-0.11,f=-1.9!) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 122 HIS : no HE2:sc= -0.869! C(o=-0.87!,f=-5.1!) USER MOD ----------------------------------------------------------------- ATOM 87 N ASP A 37 6.186 19.162 -10.638 1.00 0.00 N ATOM 88 CA ASP A 37 6.119 17.708 -10.753 1.00 0.00 C ATOM 89 C ASP A 37 6.410 17.267 -12.186 1.00 0.00 C ATOM 90 O ASP A 37 6.104 16.138 -12.570 1.00 0.00 O ATOM 91 CB ASP A 37 4.732 17.216 -10.336 1.00 0.00 C ATOM 92 CG ASP A 37 4.730 15.695 -10.229 1.00 0.00 C ATOM 93 OD1 ASP A 37 5.807 15.121 -10.206 1.00 0.00 O1- ATOM 94 OD2 ASP A 37 3.653 15.127 -10.166 1.00 0.00 O ATOM 0 HA ASP A 37 6.872 17.275 -10.094 1.00 0.00 H new ATOM 0 HB2 ASP A 37 4.453 17.657 -9.379 1.00 0.00 H new ATOM 0 HB3 ASP A 37 3.988 17.539 -11.064 1.00 0.00 H new ATOM 99 N ALA A 38 7.002 18.165 -12.972 1.00 0.00 N ATOM 100 CA ALA A 38 7.332 17.863 -14.358 1.00 0.00 C ATOM 101 C ALA A 38 8.066 16.529 -14.446 1.00 0.00 C ATOM 102 O ALA A 38 8.284 15.864 -13.436 1.00 0.00 O ATOM 103 CB ALA A 38 8.197 18.987 -14.953 1.00 0.00 C ATOM 0 H ALA A 38 7.261 19.104 -12.671 1.00 0.00 H new ATOM 0 HA ALA A 38 6.408 17.791 -14.932 1.00 0.00 H new ATOM 0 HB1 ALA A 38 8.438 18.751 -15.989 1.00 0.00 H new ATOM 0 HB2 ALA A 38 7.648 19.928 -14.913 1.00 0.00 H new ATOM 0 HB3 ALA A 38 9.119 19.080 -14.378 1.00 0.00 H new ATOM 109 N LEU A 39 8.448 16.136 -15.661 1.00 0.00 N ATOM 110 CA LEU A 39 9.166 14.878 -15.872 1.00 0.00 C ATOM 111 C LEU A 39 10.269 15.068 -16.905 1.00 0.00 C ATOM 112 O LEU A 39 10.005 15.244 -18.096 1.00 0.00 O ATOM 113 CB LEU A 39 8.200 13.793 -16.351 1.00 0.00 C ATOM 114 CG LEU A 39 7.178 13.467 -15.246 1.00 0.00 C ATOM 115 CD1 LEU A 39 6.065 12.586 -15.823 1.00 0.00 C ATOM 116 CD2 LEU A 39 7.865 12.734 -14.081 1.00 0.00 C ATOM 0 H LEU A 39 8.273 16.669 -16.513 1.00 0.00 H new ATOM 0 HA LEU A 39 9.611 14.571 -14.925 1.00 0.00 H new ATOM 0 HB2 LEU A 39 7.681 14.128 -17.249 1.00 0.00 H new ATOM 0 HB3 LEU A 39 8.755 12.894 -16.620 1.00 0.00 H new ATOM 0 HG LEU A 39 6.752 14.398 -14.873 1.00 0.00 H new ATOM 0 HD11 LEU A 39 5.342 12.355 -15.041 1.00 0.00 H new ATOM 0 HD12 LEU A 39 5.566 13.115 -16.634 1.00 0.00 H new ATOM 0 HD13 LEU A 39 6.495 11.660 -16.204 1.00 0.00 H new ATOM 0 HD21 LEU A 39 7.130 12.510 -13.308 1.00 0.00 H new ATOM 0 HD22 LEU A 39 8.304 11.805 -14.444 1.00 0.00 H new ATOM 0 HD23 LEU A 39 8.649 13.367 -13.664 1.00 0.00 H new ATOM 128 N ILE A 40 11.512 15.031 -16.433 1.00 0.00 N ATOM 129 CA ILE A 40 12.675 15.201 -17.310 1.00 0.00 C ATOM 130 C ILE A 40 13.389 13.867 -17.491 1.00 0.00 C ATOM 131 O ILE A 40 13.368 13.009 -16.606 1.00 0.00 O ATOM 132 CB ILE A 40 13.643 16.238 -16.728 1.00 0.00 C ATOM 133 CG1 ILE A 40 12.925 17.592 -16.571 1.00 0.00 C ATOM 134 CG2 ILE A 40 14.862 16.389 -17.647 1.00 0.00 C ATOM 135 CD1 ILE A 40 12.378 18.103 -17.917 1.00 0.00 C ATOM 0 H ILE A 40 11.743 14.885 -15.450 1.00 0.00 H new ATOM 0 HA ILE A 40 12.328 15.557 -18.280 1.00 0.00 H new ATOM 0 HB ILE A 40 13.981 15.902 -15.748 1.00 0.00 H new ATOM 0 HG12 ILE A 40 12.105 17.490 -15.860 1.00 0.00 H new ATOM 0 HG13 ILE A 40 13.617 18.325 -16.157 1.00 0.00 H new ATOM 0 HG21 ILE A 40 15.545 17.127 -17.227 1.00 0.00 H new ATOM 0 HG22 ILE A 40 15.373 15.430 -17.734 1.00 0.00 H new ATOM 0 HG23 ILE A 40 14.535 16.717 -18.634 1.00 0.00 H new ATOM 0 HD11 ILE A 40 11.878 19.060 -17.767 1.00 0.00 H new ATOM 0 HD12 ILE A 40 13.201 18.230 -18.620 1.00 0.00 H new ATOM 0 HD13 ILE A 40 11.667 17.381 -18.318 1.00 0.00 H new ATOM 147 N MET A 41 14.016 13.701 -18.648 1.00 0.00 N ATOM 148 CA MET A 41 14.735 12.470 -18.956 1.00 0.00 C ATOM 149 C MET A 41 16.176 12.564 -18.480 1.00 0.00 C ATOM 150 O MET A 41 16.844 13.579 -18.685 1.00 0.00 O ATOM 151 CB MET A 41 14.712 12.229 -20.468 1.00 0.00 C ATOM 152 CG MET A 41 15.328 10.866 -20.772 1.00 0.00 C ATOM 153 SD MET A 41 15.194 10.525 -22.544 1.00 0.00 S ATOM 154 CE MET A 41 15.742 8.801 -22.479 1.00 0.00 C ATOM 0 H MET A 41 14.042 14.402 -19.389 1.00 0.00 H new ATOM 0 HA MET A 41 14.248 11.641 -18.443 1.00 0.00 H new ATOM 0 HB2 MET A 41 13.688 12.268 -20.838 1.00 0.00 H new ATOM 0 HB3 MET A 41 15.267 13.014 -20.981 1.00 0.00 H new ATOM 0 HG2 MET A 41 16.374 10.851 -20.466 1.00 0.00 H new ATOM 0 HG3 MET A 41 14.818 10.089 -20.202 1.00 0.00 H new ATOM 0 HE1 MET A 41 15.570 8.328 -23.446 1.00 0.00 H new ATOM 0 HE2 MET A 41 16.805 8.766 -22.242 1.00 0.00 H new ATOM 0 HE3 MET A 41 15.181 8.270 -21.710 1.00 0.00 H new ATOM 164 N CYS A 42 16.645 11.501 -17.846 1.00 0.00 N ATOM 165 CA CYS A 42 18.009 11.466 -17.342 1.00 0.00 C ATOM 166 C CYS A 42 18.989 11.234 -18.492 1.00 0.00 C ATOM 167 O CYS A 42 18.659 10.584 -19.477 1.00 0.00 O ATOM 168 CB CYS A 42 18.148 10.350 -16.292 1.00 0.00 C ATOM 169 SG CYS A 42 19.542 10.697 -15.183 1.00 0.00 S ATOM 0 H CYS A 42 16.104 10.654 -17.669 1.00 0.00 H new ATOM 0 HA CYS A 42 18.240 12.423 -16.875 1.00 0.00 H new ATOM 0 HB2 CYS A 42 17.227 10.268 -15.715 1.00 0.00 H new ATOM 0 HB3 CYS A 42 18.299 9.391 -16.788 1.00 0.00 H new ATOM 0 HG CYS A 42 19.358 10.086 -14.050 1.00 0.00 H new ATOM 174 N MET A 43 20.180 11.794 -18.379 1.00 0.00 N ATOM 175 CA MET A 43 21.184 11.647 -19.435 1.00 0.00 C ATOM 176 C MET A 43 22.117 10.481 -19.123 1.00 0.00 C ATOM 177 O MET A 43 22.964 10.117 -19.941 1.00 0.00 O ATOM 178 CB MET A 43 21.994 12.937 -19.571 1.00 0.00 C ATOM 179 CG MET A 43 22.309 13.491 -18.180 1.00 0.00 C ATOM 180 SD MET A 43 23.377 14.943 -18.337 1.00 0.00 S ATOM 181 CE MET A 43 24.865 14.098 -18.934 1.00 0.00 C ATOM 0 H MET A 43 20.480 12.350 -17.579 1.00 0.00 H new ATOM 0 HA MET A 43 20.672 11.445 -20.376 1.00 0.00 H new ATOM 0 HB2 MET A 43 22.919 12.743 -20.115 1.00 0.00 H new ATOM 0 HB3 MET A 43 21.433 13.672 -20.148 1.00 0.00 H new ATOM 0 HG2 MET A 43 21.386 13.759 -17.666 1.00 0.00 H new ATOM 0 HG3 MET A 43 22.800 12.728 -17.576 1.00 0.00 H new ATOM 0 HE1 MET A 43 25.747 14.672 -18.652 1.00 0.00 H new ATOM 0 HE2 MET A 43 24.922 13.104 -18.490 1.00 0.00 H new ATOM 0 HE3 MET A 43 24.822 14.009 -20.020 1.00 0.00 H new ATOM 191 N ARG A 44 21.969 9.901 -17.932 1.00 0.00 N ATOM 192 CA ARG A 44 22.818 8.783 -17.516 1.00 0.00 C ATOM 193 C ARG A 44 22.047 7.462 -17.511 1.00 0.00 C ATOM 194 O ARG A 44 22.374 6.540 -18.257 1.00 0.00 O ATOM 195 CB ARG A 44 23.357 9.060 -16.114 1.00 0.00 C ATOM 196 CG ARG A 44 24.486 8.077 -15.796 1.00 0.00 C ATOM 197 CD ARG A 44 25.085 8.398 -14.425 1.00 0.00 C ATOM 198 NE ARG A 44 26.262 7.569 -14.186 1.00 0.00 N ATOM 199 CZ ARG A 44 26.809 7.486 -12.980 1.00 0.00 C ATOM 200 NH1 ARG A 44 26.293 8.153 -11.985 1.00 0.00 N ATOM 201 NH2 ARG A 44 27.862 6.741 -12.791 1.00 0.00 N1+ ATOM 0 H ARG A 44 21.274 10.184 -17.241 1.00 0.00 H new ATOM 0 HA ARG A 44 23.637 8.692 -18.230 1.00 0.00 H new ATOM 0 HB2 ARG A 44 23.724 10.084 -16.050 1.00 0.00 H new ATOM 0 HB3 ARG A 44 22.557 8.961 -15.380 1.00 0.00 H new ATOM 0 HG2 ARG A 44 24.105 7.056 -15.806 1.00 0.00 H new ATOM 0 HG3 ARG A 44 25.258 8.136 -16.563 1.00 0.00 H new ATOM 0 HD2 ARG A 44 25.357 9.452 -14.376 1.00 0.00 H new ATOM 0 HD3 ARG A 44 24.343 8.224 -13.645 1.00 0.00 H new ATOM 0 HE ARG A 44 26.671 7.044 -14.959 1.00 0.00 H new ATOM 0 HH11 ARG A 44 25.470 8.737 -12.135 1.00 0.00 H new ATOM 0 HH12 ARG A 44 26.712 8.090 -11.057 1.00 0.00 H new ATOM 0 HH21 ARG A 44 28.266 6.222 -13.570 1.00 0.00 H new ATOM 0 HH22 ARG A 44 28.282 6.678 -11.864 1.00 0.00 H new ATOM 215 N CYS A 45 21.025 7.374 -16.658 1.00 0.00 N ATOM 216 CA CYS A 45 20.219 6.152 -16.558 1.00 0.00 C ATOM 217 C CYS A 45 18.964 6.257 -17.427 1.00 0.00 C ATOM 218 O CYS A 45 18.188 5.309 -17.526 1.00 0.00 O ATOM 219 CB CYS A 45 19.815 5.909 -15.103 1.00 0.00 C ATOM 220 SG CYS A 45 18.597 7.148 -14.606 1.00 0.00 S ATOM 0 H CYS A 45 20.736 8.125 -16.031 1.00 0.00 H new ATOM 0 HA CYS A 45 20.821 5.316 -16.913 1.00 0.00 H new ATOM 0 HB2 CYS A 45 19.398 4.908 -14.992 1.00 0.00 H new ATOM 0 HB3 CYS A 45 20.691 5.964 -14.456 1.00 0.00 H new ATOM 0 HG CYS A 45 19.083 8.338 -14.804 1.00 0.00 H new ATOM 225 N ARG A 46 18.776 7.416 -18.048 1.00 0.00 N ATOM 226 CA ARG A 46 17.614 7.634 -18.906 1.00 0.00 C ATOM 227 C ARG A 46 16.307 7.360 -18.168 1.00 0.00 C ATOM 228 O ARG A 46 15.313 6.965 -18.777 1.00 0.00 O ATOM 229 CB ARG A 46 17.713 6.744 -20.142 1.00 0.00 C ATOM 230 CG ARG A 46 18.932 7.167 -20.963 1.00 0.00 C ATOM 231 CD ARG A 46 19.025 6.300 -22.216 1.00 0.00 C ATOM 232 NE ARG A 46 19.358 4.927 -21.855 1.00 0.00 N ATOM 233 CZ ARG A 46 19.373 3.959 -22.766 1.00 0.00 C ATOM 234 NH1 ARG A 46 19.080 4.226 -24.008 1.00 0.00 N ATOM 235 NH2 ARG A 46 19.678 2.738 -22.415 1.00 0.00 N1+ ATOM 0 H ARG A 46 19.407 8.214 -17.975 1.00 0.00 H new ATOM 0 HA ARG A 46 17.610 8.682 -19.206 1.00 0.00 H new ATOM 0 HB2 ARG A 46 17.802 5.698 -19.847 1.00 0.00 H new ATOM 0 HB3 ARG A 46 16.807 6.830 -20.742 1.00 0.00 H new ATOM 0 HG2 ARG A 46 18.851 8.218 -21.240 1.00 0.00 H new ATOM 0 HG3 ARG A 46 19.839 7.063 -20.368 1.00 0.00 H new ATOM 0 HD2 ARG A 46 18.077 6.323 -22.754 1.00 0.00 H new ATOM 0 HD3 ARG A 46 19.783 6.701 -22.889 1.00 0.00 H new ATOM 0 HE ARG A 46 19.584 4.705 -20.885 1.00 0.00 H new ATOM 0 HH11 ARG A 46 18.839 5.179 -24.282 1.00 0.00 H new ATOM 0 HH12 ARG A 46 19.092 3.482 -24.706 1.00 0.00 H new ATOM 0 HH21 ARG A 46 19.904 2.528 -21.443 1.00 0.00 H new ATOM 0 HH22 ARG A 46 19.690 1.995 -23.113 1.00 0.00 H new ATOM 249 N LYS A 47 16.314 7.577 -16.854 1.00 0.00 N ATOM 250 CA LYS A 47 15.117 7.354 -16.042 1.00 0.00 C ATOM 251 C LYS A 47 14.303 8.641 -15.935 1.00 0.00 C ATOM 252 O LYS A 47 14.797 9.664 -15.458 1.00 0.00 O ATOM 253 CB LYS A 47 15.516 6.879 -14.645 1.00 0.00 C ATOM 254 CG LYS A 47 14.267 6.470 -13.868 1.00 0.00 C ATOM 255 CD LYS A 47 14.679 5.888 -12.516 1.00 0.00 C ATOM 256 CE LYS A 47 13.433 5.428 -11.760 1.00 0.00 C ATOM 257 NZ LYS A 47 12.594 6.610 -11.422 1.00 0.00 N1+ ATOM 0 H LYS A 47 17.127 7.904 -16.332 1.00 0.00 H new ATOM 0 HA LYS A 47 14.507 6.589 -16.522 1.00 0.00 H new ATOM 0 HB2 LYS A 47 16.203 6.036 -14.719 1.00 0.00 H new ATOM 0 HB3 LYS A 47 16.042 7.674 -14.116 1.00 0.00 H new ATOM 0 HG2 LYS A 47 13.617 7.333 -13.722 1.00 0.00 H new ATOM 0 HG3 LYS A 47 13.697 5.734 -14.435 1.00 0.00 H new ATOM 0 HD2 LYS A 47 15.360 5.049 -12.661 1.00 0.00 H new ATOM 0 HD3 LYS A 47 15.215 6.637 -11.933 1.00 0.00 H new ATOM 0 HE2 LYS A 47 12.863 4.726 -12.369 1.00 0.00 H new ATOM 0 HE3 LYS A 47 13.720 4.900 -10.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 12.360 6.592 -10.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 13.118 7.481 -11.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 11.717 6.584 -11.980 1.00 0.00 H new ATOM 271 N VAL A 48 13.051 8.578 -16.385 1.00 0.00 N ATOM 272 CA VAL A 48 12.162 9.738 -16.345 1.00 0.00 C ATOM 273 C VAL A 48 11.472 9.830 -14.989 1.00 0.00 C ATOM 274 O VAL A 48 10.966 8.838 -14.468 1.00 0.00 O ATOM 275 CB VAL A 48 11.111 9.633 -17.460 1.00 0.00 C ATOM 276 CG1 VAL A 48 11.699 10.149 -18.778 1.00 0.00 C ATOM 277 CG2 VAL A 48 10.697 8.168 -17.626 1.00 0.00 C ATOM 0 H VAL A 48 12.630 7.738 -16.781 1.00 0.00 H new ATOM 0 HA VAL A 48 12.756 10.639 -16.498 1.00 0.00 H new ATOM 0 HB VAL A 48 10.241 10.235 -17.196 1.00 0.00 H new ATOM 0 HG11 VAL A 48 10.949 10.072 -19.566 1.00 0.00 H new ATOM 0 HG12 VAL A 48 11.996 11.191 -18.660 1.00 0.00 H new ATOM 0 HG13 VAL A 48 12.570 9.551 -19.047 1.00 0.00 H new ATOM 0 HG21 VAL A 48 9.951 8.088 -18.417 1.00 0.00 H new ATOM 0 HG22 VAL A 48 11.570 7.571 -17.889 1.00 0.00 H new ATOM 0 HG23 VAL A 48 10.275 7.801 -16.690 1.00 0.00 H new ATOM 287 N LYS A 49 11.473 11.029 -14.424 1.00 0.00 N ATOM 288 CA LYS A 49 10.862 11.252 -13.122 1.00 0.00 C ATOM 289 C LYS A 49 10.745 12.754 -12.851 1.00 0.00 C ATOM 290 O LYS A 49 11.265 13.579 -13.601 1.00 0.00 O ATOM 291 CB LYS A 49 11.698 10.560 -12.019 1.00 0.00 C ATOM 292 CG LYS A 49 10.932 9.366 -11.406 1.00 0.00 C ATOM 293 CD LYS A 49 9.869 9.888 -10.436 1.00 0.00 C ATOM 294 CE LYS A 49 9.095 8.712 -9.844 1.00 0.00 C ATOM 295 NZ LYS A 49 8.062 9.230 -8.904 1.00 0.00 N1+ ATOM 0 H LYS A 49 11.889 11.860 -14.845 1.00 0.00 H new ATOM 0 HA LYS A 49 9.861 10.821 -13.117 1.00 0.00 H new ATOM 0 HB2 LYS A 49 12.643 10.213 -12.438 1.00 0.00 H new ATOM 0 HB3 LYS A 49 11.941 11.280 -11.237 1.00 0.00 H new ATOM 0 HG2 LYS A 49 10.463 8.777 -12.194 1.00 0.00 H new ATOM 0 HG3 LYS A 49 11.624 8.705 -10.884 1.00 0.00 H new ATOM 0 HD2 LYS A 49 10.340 10.464 -9.640 1.00 0.00 H new ATOM 0 HD3 LYS A 49 9.187 10.561 -10.956 1.00 0.00 H new ATOM 0 HE2 LYS A 49 8.624 8.134 -10.639 1.00 0.00 H new ATOM 0 HE3 LYS A 49 9.775 8.039 -9.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 7.365 8.483 -8.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 8.516 9.521 -8.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 7.582 10.048 -9.332 1.00 0.00 H new ATOM 309 N GLY A 50 10.062 13.089 -11.760 1.00 0.00 N ATOM 310 CA GLY A 50 9.871 14.482 -11.364 1.00 0.00 C ATOM 311 C GLY A 50 10.786 14.847 -10.199 1.00 0.00 C ATOM 312 O GLY A 50 11.705 14.103 -9.861 1.00 0.00 O ATOM 0 H GLY A 50 9.630 12.412 -11.132 1.00 0.00 H new ATOM 0 HA2 GLY A 50 10.076 15.136 -12.211 1.00 0.00 H new ATOM 0 HA3 GLY A 50 8.831 14.644 -11.080 1.00 0.00 H new ATOM 316 N ILE A 51 10.535 16.003 -9.595 1.00 0.00 N ATOM 317 CA ILE A 51 11.351 16.463 -8.477 1.00 0.00 C ATOM 318 C ILE A 51 11.500 15.375 -7.406 1.00 0.00 C ATOM 319 O ILE A 51 12.294 15.515 -6.478 1.00 0.00 O ATOM 320 CB ILE A 51 10.715 17.708 -7.857 1.00 0.00 C ATOM 321 CG1 ILE A 51 11.655 18.299 -6.806 1.00 0.00 C ATOM 322 CG2 ILE A 51 9.393 17.330 -7.199 1.00 0.00 C ATOM 323 CD1 ILE A 51 11.172 19.697 -6.423 1.00 0.00 C ATOM 0 H ILE A 51 9.779 16.635 -9.858 1.00 0.00 H new ATOM 0 HA ILE A 51 12.344 16.701 -8.858 1.00 0.00 H new ATOM 0 HB ILE A 51 10.536 18.447 -8.638 1.00 0.00 H new ATOM 0 HG12 ILE A 51 11.683 17.658 -5.925 1.00 0.00 H new ATOM 0 HG13 ILE A 51 12.671 18.348 -7.197 1.00 0.00 H new ATOM 0 HG21 ILE A 51 8.940 18.217 -6.757 1.00 0.00 H new ATOM 0 HG22 ILE A 51 8.720 16.913 -7.948 1.00 0.00 H new ATOM 0 HG23 ILE A 51 9.573 16.589 -6.421 1.00 0.00 H new ATOM 0 HD11 ILE A 51 11.841 20.120 -5.674 1.00 0.00 H new ATOM 0 HD12 ILE A 51 11.167 20.335 -7.307 1.00 0.00 H new ATOM 0 HD13 ILE A 51 10.163 19.634 -6.015 1.00 0.00 H new ATOM 335 N ASP A 52 10.755 14.282 -7.549 1.00 0.00 N ATOM 336 CA ASP A 52 10.841 13.182 -6.592 1.00 0.00 C ATOM 337 C ASP A 52 12.185 12.462 -6.724 1.00 0.00 C ATOM 338 O ASP A 52 12.856 12.192 -5.726 1.00 0.00 O ATOM 339 CB ASP A 52 9.698 12.199 -6.850 1.00 0.00 C ATOM 340 CG ASP A 52 9.774 11.037 -5.867 1.00 0.00 C ATOM 341 OD1 ASP A 52 10.727 10.987 -5.108 1.00 0.00 O ATOM 342 OD2 ASP A 52 8.877 10.209 -5.893 1.00 0.00 O1- ATOM 0 H ASP A 52 10.092 14.134 -8.310 1.00 0.00 H new ATOM 0 HA ASP A 52 10.761 13.582 -5.581 1.00 0.00 H new ATOM 0 HB2 ASP A 52 8.740 12.709 -6.749 1.00 0.00 H new ATOM 0 HB3 ASP A 52 9.754 11.825 -7.872 1.00 0.00 H new ATOM 347 N SER A 53 12.568 12.159 -7.967 1.00 0.00 N ATOM 348 CA SER A 53 13.840 11.474 -8.234 1.00 0.00 C ATOM 349 C SER A 53 14.932 12.480 -8.601 1.00 0.00 C ATOM 350 O SER A 53 16.053 12.100 -8.937 1.00 0.00 O ATOM 351 CB SER A 53 13.678 10.446 -9.356 1.00 0.00 C ATOM 352 OG SER A 53 14.532 9.342 -9.099 1.00 0.00 O ATOM 0 H SER A 53 12.021 12.374 -8.801 1.00 0.00 H new ATOM 0 HA SER A 53 14.136 10.954 -7.323 1.00 0.00 H new ATOM 0 HB2 SER A 53 12.641 10.114 -9.416 1.00 0.00 H new ATOM 0 HB3 SER A 53 13.924 10.896 -10.318 1.00 0.00 H new ATOM 0 HG SER A 53 14.433 8.678 -9.813 1.00 0.00 H new ATOM 358 N TYR A 54 14.589 13.766 -8.536 1.00 0.00 N ATOM 359 CA TYR A 54 15.536 14.833 -8.862 1.00 0.00 C ATOM 360 C TYR A 54 15.691 15.806 -7.696 1.00 0.00 C ATOM 361 O TYR A 54 14.708 16.262 -7.113 1.00 0.00 O ATOM 362 CB TYR A 54 15.039 15.597 -10.106 1.00 0.00 C ATOM 363 CG TYR A 54 15.702 15.057 -11.361 1.00 0.00 C ATOM 364 CD1 TYR A 54 15.394 13.775 -11.836 1.00 0.00 C ATOM 365 CD2 TYR A 54 16.644 15.842 -12.036 1.00 0.00 C ATOM 366 CE1 TYR A 54 16.029 13.283 -12.982 1.00 0.00 C ATOM 367 CE2 TYR A 54 17.272 15.353 -13.178 1.00 0.00 C ATOM 368 CZ TYR A 54 16.971 14.071 -13.653 1.00 0.00 C ATOM 369 OH TYR A 54 17.603 13.580 -14.777 1.00 0.00 O ATOM 0 H TYR A 54 13.663 14.095 -8.261 1.00 0.00 H new ATOM 0 HA TYR A 54 16.507 14.381 -9.063 1.00 0.00 H new ATOM 0 HB2 TYR A 54 13.956 15.502 -10.190 1.00 0.00 H new ATOM 0 HB3 TYR A 54 15.259 16.659 -10.000 1.00 0.00 H new ATOM 0 HD1 TYR A 54 14.667 13.167 -11.318 1.00 0.00 H new ATOM 0 HD2 TYR A 54 16.884 16.829 -11.670 1.00 0.00 H new ATOM 0 HE1 TYR A 54 15.792 12.295 -13.349 1.00 0.00 H new ATOM 0 HE2 TYR A 54 17.994 15.965 -13.699 1.00 0.00 H new ATOM 0 HH TYR A 54 18.377 14.142 -14.989 1.00 0.00 H new ATOM 379 N SER A 55 16.937 16.133 -7.383 1.00 0.00 N ATOM 380 CA SER A 55 17.224 17.067 -6.310 1.00 0.00 C ATOM 381 C SER A 55 16.640 18.435 -6.643 1.00 0.00 C ATOM 382 O SER A 55 16.410 18.756 -7.811 1.00 0.00 O ATOM 383 CB SER A 55 18.736 17.182 -6.116 1.00 0.00 C ATOM 384 OG SER A 55 19.005 18.053 -5.029 1.00 0.00 O ATOM 0 H SER A 55 17.762 15.765 -7.857 1.00 0.00 H new ATOM 0 HA SER A 55 16.771 16.702 -5.388 1.00 0.00 H new ATOM 0 HB2 SER A 55 19.165 16.199 -5.924 1.00 0.00 H new ATOM 0 HB3 SER A 55 19.203 17.561 -7.025 1.00 0.00 H new ATOM 0 HG SER A 55 19.974 18.127 -4.901 1.00 0.00 H new ATOM 390 N LYS A 56 16.397 19.230 -5.614 1.00 0.00 N ATOM 391 CA LYS A 56 15.830 20.557 -5.804 1.00 0.00 C ATOM 392 C LYS A 56 16.752 21.411 -6.668 1.00 0.00 C ATOM 393 O LYS A 56 16.291 22.163 -7.526 1.00 0.00 O ATOM 394 CB LYS A 56 15.631 21.232 -4.448 1.00 0.00 C ATOM 395 CG LYS A 56 14.566 20.474 -3.653 1.00 0.00 C ATOM 396 CD LYS A 56 14.368 21.149 -2.294 1.00 0.00 C ATOM 397 CE LYS A 56 13.261 20.427 -1.523 1.00 0.00 C ATOM 398 NZ LYS A 56 13.676 19.020 -1.258 1.00 0.00 N1+ ATOM 0 H LYS A 56 16.582 18.982 -4.642 1.00 0.00 H new ATOM 0 HA LYS A 56 14.868 20.457 -6.307 1.00 0.00 H new ATOM 0 HB2 LYS A 56 16.571 21.247 -3.896 1.00 0.00 H new ATOM 0 HB3 LYS A 56 15.327 22.269 -4.587 1.00 0.00 H new ATOM 0 HG2 LYS A 56 13.626 20.460 -4.205 1.00 0.00 H new ATOM 0 HG3 LYS A 56 14.870 19.436 -3.515 1.00 0.00 H new ATOM 0 HD2 LYS A 56 15.297 21.125 -1.725 1.00 0.00 H new ATOM 0 HD3 LYS A 56 14.106 22.198 -2.432 1.00 0.00 H new ATOM 0 HE2 LYS A 56 13.063 20.942 -0.583 1.00 0.00 H new ATOM 0 HE3 LYS A 56 12.334 20.442 -2.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 13.103 18.629 -0.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 13.535 18.449 -2.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 14.681 18.999 -0.990 1.00 0.00 H new ATOM 412 N THR A 57 18.053 21.296 -6.433 1.00 0.00 N ATOM 413 CA THR A 57 19.025 22.067 -7.197 1.00 0.00 C ATOM 414 C THR A 57 18.971 21.703 -8.678 1.00 0.00 C ATOM 415 O THR A 57 18.912 22.582 -9.534 1.00 0.00 O ATOM 416 CB THR A 57 20.435 21.804 -6.665 1.00 0.00 C ATOM 417 OG1 THR A 57 20.443 21.959 -5.251 1.00 0.00 O ATOM 418 CG2 THR A 57 21.414 22.795 -7.296 1.00 0.00 C ATOM 0 H THR A 57 18.457 20.682 -5.726 1.00 0.00 H new ATOM 0 HA THR A 57 18.779 23.123 -7.086 1.00 0.00 H new ATOM 0 HB THR A 57 20.737 20.788 -6.921 1.00 0.00 H new ATOM 0 HG1 THR A 57 21.345 21.789 -4.908 1.00 0.00 H new ATOM 0 HG21 THR A 57 22.418 22.606 -6.916 1.00 0.00 H new ATOM 0 HG22 THR A 57 21.407 22.674 -8.379 1.00 0.00 H new ATOM 0 HG23 THR A 57 21.116 23.812 -7.043 1.00 0.00 H new ATOM 426 N GLN A 58 18.992 20.406 -8.975 1.00 0.00 N ATOM 427 CA GLN A 58 18.954 19.945 -10.359 1.00 0.00 C ATOM 428 C GLN A 58 17.668 20.396 -11.043 1.00 0.00 C ATOM 429 O GLN A 58 17.685 20.854 -12.182 1.00 0.00 O ATOM 430 CB GLN A 58 19.034 18.418 -10.387 1.00 0.00 C ATOM 431 CG GLN A 58 20.399 17.969 -9.863 1.00 0.00 C ATOM 432 CD GLN A 58 20.448 16.449 -9.768 1.00 0.00 C ATOM 433 OE1 GLN A 58 19.630 15.843 -9.076 1.00 0.00 O ATOM 434 NE2 GLN A 58 21.366 15.794 -10.422 1.00 0.00 N ATOM 0 H GLN A 58 19.035 19.660 -8.280 1.00 0.00 H new ATOM 0 HA GLN A 58 19.802 20.374 -10.893 1.00 0.00 H new ATOM 0 HB2 GLN A 58 18.239 17.990 -9.776 1.00 0.00 H new ATOM 0 HB3 GLN A 58 18.885 18.054 -11.404 1.00 0.00 H new ATOM 0 HG2 GLN A 58 21.187 18.325 -10.526 1.00 0.00 H new ATOM 0 HG3 GLN A 58 20.584 18.409 -8.883 1.00 0.00 H new ATOM 0 HE21 GLN A 58 22.042 16.299 -10.995 1.00 0.00 H new ATOM 0 HE22 GLN A 58 21.408 14.777 -10.361 1.00 0.00 H new ATOM 443 N TRP A 59 16.557 20.247 -10.348 1.00 0.00 N ATOM 444 CA TRP A 59 15.270 20.631 -10.910 1.00 0.00 C ATOM 445 C TRP A 59 15.265 22.125 -11.243 1.00 0.00 C ATOM 446 O TRP A 59 14.709 22.541 -12.258 1.00 0.00 O ATOM 447 CB TRP A 59 14.135 20.302 -9.915 1.00 0.00 C ATOM 448 CG TRP A 59 12.915 19.844 -10.649 1.00 0.00 C ATOM 449 CD1 TRP A 59 11.680 20.391 -10.560 1.00 0.00 C ATOM 450 CD2 TRP A 59 12.802 18.732 -11.577 1.00 0.00 C ATOM 451 NE1 TRP A 59 10.819 19.674 -11.371 1.00 0.00 N ATOM 452 CE2 TRP A 59 11.467 18.644 -12.016 1.00 0.00 C ATOM 453 CE3 TRP A 59 13.725 17.796 -12.071 1.00 0.00 C ATOM 454 CZ2 TRP A 59 11.059 17.663 -12.910 1.00 0.00 C ATOM 455 CZ3 TRP A 59 13.321 16.807 -12.973 1.00 0.00 C ATOM 456 CH2 TRP A 59 11.988 16.739 -13.391 1.00 0.00 C ATOM 0 H TRP A 59 16.515 19.867 -9.402 1.00 0.00 H new ATOM 0 HA TRP A 59 15.105 20.067 -11.828 1.00 0.00 H new ATOM 0 HB2 TRP A 59 14.463 19.527 -9.223 1.00 0.00 H new ATOM 0 HB3 TRP A 59 13.899 21.183 -9.318 1.00 0.00 H new ATOM 0 HD1 TRP A 59 11.412 21.245 -9.956 1.00 0.00 H new ATOM 0 HE1 TRP A 59 9.826 19.882 -11.478 1.00 0.00 H new ATOM 0 HE3 TRP A 59 14.756 17.840 -11.751 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 10.029 17.615 -13.231 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 14.040 16.094 -13.348 1.00 0.00 H new ATOM 0 HH2 TRP A 59 11.678 15.972 -14.085 1.00 0.00 H new ATOM 467 N SER A 60 15.889 22.921 -10.381 1.00 0.00 N ATOM 468 CA SER A 60 15.953 24.363 -10.586 1.00 0.00 C ATOM 469 C SER A 60 16.782 24.707 -11.821 1.00 0.00 C ATOM 470 O SER A 60 16.647 25.793 -12.384 1.00 0.00 O ATOM 471 CB SER A 60 16.569 25.037 -9.360 1.00 0.00 C ATOM 472 OG SER A 60 15.928 24.551 -8.185 1.00 0.00 O ATOM 0 H SER A 60 16.356 22.593 -9.536 1.00 0.00 H new ATOM 0 HA SER A 60 14.937 24.727 -10.737 1.00 0.00 H new ATOM 0 HB2 SER A 60 17.639 24.831 -9.316 1.00 0.00 H new ATOM 0 HB3 SER A 60 16.455 26.119 -9.430 1.00 0.00 H new ATOM 0 HG SER A 60 16.335 23.700 -7.919 1.00 0.00 H new ATOM 478 N LYS A 61 17.629 23.772 -12.242 1.00 0.00 N ATOM 479 CA LYS A 61 18.463 23.993 -13.418 1.00 0.00 C ATOM 480 C LYS A 61 17.659 23.772 -14.694 1.00 0.00 C ATOM 481 O LYS A 61 17.994 24.308 -15.746 1.00 0.00 O ATOM 482 CB LYS A 61 19.664 23.051 -13.404 1.00 0.00 C ATOM 483 CG LYS A 61 20.605 23.451 -12.273 1.00 0.00 C ATOM 484 CD LYS A 61 21.768 22.454 -12.206 1.00 0.00 C ATOM 485 CE LYS A 61 22.725 22.668 -13.385 1.00 0.00 C ATOM 486 NZ LYS A 61 22.235 21.898 -14.564 1.00 0.00 N1+ ATOM 0 H LYS A 61 17.755 22.865 -11.793 1.00 0.00 H new ATOM 0 HA LYS A 61 18.816 25.024 -13.394 1.00 0.00 H new ATOM 0 HB2 LYS A 61 19.332 22.022 -13.269 1.00 0.00 H new ATOM 0 HB3 LYS A 61 20.186 23.095 -14.360 1.00 0.00 H new ATOM 0 HG2 LYS A 61 20.984 24.459 -12.439 1.00 0.00 H new ATOM 0 HG3 LYS A 61 20.068 23.465 -11.325 1.00 0.00 H new ATOM 0 HD2 LYS A 61 22.306 22.576 -11.266 1.00 0.00 H new ATOM 0 HD3 LYS A 61 21.383 21.435 -12.223 1.00 0.00 H new ATOM 0 HE2 LYS A 61 22.788 23.728 -13.629 1.00 0.00 H new ATOM 0 HE3 LYS A 61 23.730 22.343 -13.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 22.877 21.101 -14.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 21.280 21.536 -14.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 22.207 22.520 -15.397 1.00 0.00 H new ATOM 500 N THR A 62 16.606 22.968 -14.593 1.00 0.00 N ATOM 501 CA THR A 62 15.766 22.671 -15.751 1.00 0.00 C ATOM 502 C THR A 62 14.987 23.907 -16.189 1.00 0.00 C ATOM 503 O THR A 62 14.311 23.897 -17.219 1.00 0.00 O ATOM 504 CB THR A 62 14.785 21.544 -15.422 1.00 0.00 C ATOM 505 OG1 THR A 62 13.902 21.970 -14.393 1.00 0.00 O ATOM 506 CG2 THR A 62 15.561 20.312 -14.958 1.00 0.00 C ATOM 0 H THR A 62 16.314 22.512 -13.728 1.00 0.00 H new ATOM 0 HA THR A 62 16.419 22.358 -16.566 1.00 0.00 H new ATOM 0 HB THR A 62 14.207 21.292 -16.311 1.00 0.00 H new ATOM 0 HG1 THR A 62 14.317 21.812 -13.519 1.00 0.00 H new ATOM 0 HG21 THR A 62 14.862 19.509 -14.724 1.00 0.00 H new ATOM 0 HG22 THR A 62 16.235 19.987 -15.750 1.00 0.00 H new ATOM 0 HG23 THR A 62 16.140 20.560 -14.069 1.00 0.00 H new ATOM 514 N PHE A 63 15.074 24.970 -15.388 1.00 0.00 N ATOM 515 CA PHE A 63 14.374 26.220 -15.675 1.00 0.00 C ATOM 516 C PHE A 63 15.363 27.315 -16.052 1.00 0.00 C ATOM 517 O PHE A 63 16.575 27.101 -16.045 1.00 0.00 O ATOM 518 CB PHE A 63 13.567 26.662 -14.452 1.00 0.00 C ATOM 519 CG PHE A 63 12.512 25.632 -14.145 1.00 0.00 C ATOM 520 CD1 PHE A 63 11.281 25.669 -14.809 1.00 0.00 C ATOM 521 CD2 PHE A 63 12.769 24.639 -13.197 1.00 0.00 C ATOM 522 CE1 PHE A 63 10.304 24.706 -14.521 1.00 0.00 C ATOM 523 CE2 PHE A 63 11.796 23.676 -12.907 1.00 0.00 C ATOM 524 CZ PHE A 63 10.563 23.711 -13.569 1.00 0.00 C ATOM 0 H PHE A 63 15.626 24.988 -14.531 1.00 0.00 H new ATOM 0 HA PHE A 63 13.700 26.049 -16.514 1.00 0.00 H new ATOM 0 HB2 PHE A 63 14.227 26.788 -13.594 1.00 0.00 H new ATOM 0 HB3 PHE A 63 13.101 27.629 -14.641 1.00 0.00 H new ATOM 0 HD1 PHE A 63 11.084 26.438 -15.542 1.00 0.00 H new ATOM 0 HD2 PHE A 63 13.721 24.614 -12.687 1.00 0.00 H new ATOM 0 HE1 PHE A 63 9.353 24.731 -15.032 1.00 0.00 H new ATOM 0 HE2 PHE A 63 11.996 22.908 -12.175 1.00 0.00 H new ATOM 0 HZ PHE A 63 9.810 22.970 -13.346 1.00 0.00 H new ATOM 534 N THR A 64 14.833 28.483 -16.375 1.00 0.00 N ATOM 535 CA THR A 64 15.668 29.613 -16.755 1.00 0.00 C ATOM 536 C THR A 64 14.924 30.920 -16.500 1.00 0.00 C ATOM 537 O THR A 64 13.694 30.980 -16.567 1.00 0.00 O ATOM 538 CB THR A 64 16.059 29.493 -18.248 1.00 0.00 C ATOM 539 OG1 THR A 64 15.209 28.540 -18.871 1.00 0.00 O ATOM 540 CG2 THR A 64 17.518 29.034 -18.401 1.00 0.00 C ATOM 0 H THR A 64 13.831 28.674 -16.382 1.00 0.00 H new ATOM 0 HA THR A 64 16.576 29.610 -16.153 1.00 0.00 H new ATOM 0 HB THR A 64 15.951 30.472 -18.716 1.00 0.00 H new ATOM 0 HG1 THR A 64 14.285 28.686 -18.580 1.00 0.00 H new ATOM 0 HG21 THR A 64 17.766 28.958 -19.460 1.00 0.00 H new ATOM 0 HG22 THR A 64 18.179 29.758 -17.924 1.00 0.00 H new ATOM 0 HG23 THR A 64 17.645 28.060 -17.928 1.00 0.00 H new ATOM 548 N PHE A 65 15.692 31.965 -16.217 1.00 0.00 N ATOM 549 CA PHE A 65 15.130 33.290 -15.958 1.00 0.00 C ATOM 550 C PHE A 65 15.419 34.221 -17.134 1.00 0.00 C ATOM 551 O PHE A 65 16.538 34.269 -17.646 1.00 0.00 O ATOM 552 CB PHE A 65 15.737 33.871 -14.655 1.00 0.00 C ATOM 553 CG PHE A 65 14.638 34.146 -13.646 1.00 0.00 C ATOM 554 CD1 PHE A 65 13.563 34.965 -14.004 1.00 0.00 C ATOM 555 CD2 PHE A 65 14.687 33.571 -12.369 1.00 0.00 C ATOM 556 CE1 PHE A 65 12.538 35.211 -13.088 1.00 0.00 C ATOM 557 CE2 PHE A 65 13.661 33.821 -11.453 1.00 0.00 C ATOM 558 CZ PHE A 65 12.585 34.640 -11.814 1.00 0.00 C ATOM 0 H PHE A 65 16.710 31.923 -16.160 1.00 0.00 H new ATOM 0 HA PHE A 65 14.050 33.203 -15.839 1.00 0.00 H new ATOM 0 HB2 PHE A 65 16.459 33.170 -14.236 1.00 0.00 H new ATOM 0 HB3 PHE A 65 16.278 34.791 -14.875 1.00 0.00 H new ATOM 0 HD1 PHE A 65 13.525 35.407 -14.989 1.00 0.00 H new ATOM 0 HD2 PHE A 65 15.516 32.936 -12.093 1.00 0.00 H new ATOM 0 HE1 PHE A 65 11.708 35.844 -13.365 1.00 0.00 H new ATOM 0 HE2 PHE A 65 13.699 33.382 -10.467 1.00 0.00 H new ATOM 0 HZ PHE A 65 11.791 34.831 -11.107 1.00 0.00 H new ATOM 568 N VAL A 66 14.398 34.969 -17.543 1.00 0.00 N ATOM 569 CA VAL A 66 14.534 35.917 -18.646 1.00 0.00 C ATOM 570 C VAL A 66 13.935 37.265 -18.254 1.00 0.00 C ATOM 571 O VAL A 66 12.720 37.393 -18.098 1.00 0.00 O ATOM 572 CB VAL A 66 13.832 35.367 -19.893 1.00 0.00 C ATOM 573 CG1 VAL A 66 13.712 36.467 -20.955 1.00 0.00 C ATOM 574 CG2 VAL A 66 14.650 34.204 -20.456 1.00 0.00 C ATOM 0 H VAL A 66 13.467 34.937 -17.127 1.00 0.00 H new ATOM 0 HA VAL A 66 15.592 36.057 -18.869 1.00 0.00 H new ATOM 0 HB VAL A 66 12.834 35.023 -19.623 1.00 0.00 H new ATOM 0 HG11 VAL A 66 13.212 36.068 -21.838 1.00 0.00 H new ATOM 0 HG12 VAL A 66 13.132 37.298 -20.554 1.00 0.00 H new ATOM 0 HG13 VAL A 66 14.707 36.818 -21.229 1.00 0.00 H new ATOM 0 HG21 VAL A 66 14.156 33.808 -21.343 1.00 0.00 H new ATOM 0 HG22 VAL A 66 15.647 34.555 -20.722 1.00 0.00 H new ATOM 0 HG23 VAL A 66 14.731 33.419 -19.705 1.00 0.00 H new ATOM 584 N ARG A 67 14.793 38.268 -18.114 1.00 0.00 N ATOM 585 CA ARG A 67 14.340 39.608 -17.755 1.00 0.00 C ATOM 586 C ARG A 67 13.244 39.558 -16.693 1.00 0.00 C ATOM 587 O ARG A 67 12.254 40.284 -16.779 1.00 0.00 O ATOM 588 CB ARG A 67 13.816 40.321 -19.002 1.00 0.00 C ATOM 589 CG ARG A 67 14.955 40.481 -20.012 1.00 0.00 C ATOM 590 CD ARG A 67 14.458 41.270 -21.224 1.00 0.00 C ATOM 591 NE ARG A 67 13.444 40.507 -21.946 1.00 0.00 N ATOM 592 CZ ARG A 67 13.782 39.571 -22.826 1.00 0.00 C ATOM 593 NH1 ARG A 67 15.041 39.316 -23.053 1.00 0.00 N ATOM 594 NH2 ARG A 67 12.856 38.908 -23.463 1.00 0.00 N1+ ATOM 0 H ARG A 67 15.801 38.181 -18.243 1.00 0.00 H new ATOM 0 HA ARG A 67 15.187 40.155 -17.342 1.00 0.00 H new ATOM 0 HB2 ARG A 67 13.000 39.750 -19.445 1.00 0.00 H new ATOM 0 HB3 ARG A 67 13.413 41.298 -18.734 1.00 0.00 H new ATOM 0 HG2 ARG A 67 15.796 40.998 -19.549 1.00 0.00 H new ATOM 0 HG3 ARG A 67 15.317 39.502 -20.326 1.00 0.00 H new ATOM 0 HD2 ARG A 67 14.042 42.224 -20.900 1.00 0.00 H new ATOM 0 HD3 ARG A 67 15.293 41.495 -21.887 1.00 0.00 H new ATOM 0 HE ARG A 67 12.457 40.696 -21.771 1.00 0.00 H new ATOM 0 HH11 ARG A 67 15.764 39.835 -22.555 1.00 0.00 H new ATOM 0 HH12 ARG A 67 15.302 38.598 -23.728 1.00 0.00 H new ATOM 0 HH21 ARG A 67 11.872 39.108 -23.285 1.00 0.00 H new ATOM 0 HH22 ARG A 67 13.116 38.190 -24.139 1.00 0.00 H new ATOM 608 N GLY A 68 13.426 38.701 -15.691 1.00 0.00 N ATOM 609 CA GLY A 68 12.444 38.575 -14.624 1.00 0.00 C ATOM 610 C GLY A 68 11.261 37.725 -15.067 1.00 0.00 C ATOM 611 O GLY A 68 10.177 37.802 -14.487 1.00 0.00 O ATOM 0 H GLY A 68 14.237 38.090 -15.598 1.00 0.00 H new ATOM 0 HA2 GLY A 68 12.910 38.126 -13.747 1.00 0.00 H new ATOM 0 HA3 GLY A 68 12.095 39.564 -14.328 1.00 0.00 H new ATOM 615 N ARG A 69 11.474 36.904 -16.099 1.00 0.00 N ATOM 616 CA ARG A 69 10.416 36.030 -16.616 1.00 0.00 C ATOM 617 C ARG A 69 10.829 34.569 -16.486 1.00 0.00 C ATOM 618 O ARG A 69 11.868 34.157 -17.002 1.00 0.00 O ATOM 619 CB ARG A 69 10.142 36.352 -18.089 1.00 0.00 C ATOM 620 CG ARG A 69 8.813 35.713 -18.535 1.00 0.00 C ATOM 621 CD ARG A 69 7.642 36.656 -18.227 1.00 0.00 C ATOM 622 NE ARG A 69 6.381 36.010 -18.566 1.00 0.00 N ATOM 623 CZ ARG A 69 5.876 36.080 -19.793 1.00 0.00 C ATOM 624 NH1 ARG A 69 6.519 36.725 -20.727 1.00 0.00 N ATOM 625 NH2 ARG A 69 4.742 35.498 -20.061 1.00 0.00 N1+ ATOM 0 H ARG A 69 12.364 36.826 -16.591 1.00 0.00 H new ATOM 0 HA ARG A 69 9.510 36.200 -16.034 1.00 0.00 H new ATOM 0 HB2 ARG A 69 10.100 37.432 -18.231 1.00 0.00 H new ATOM 0 HB3 ARG A 69 10.958 35.980 -18.708 1.00 0.00 H new ATOM 0 HG2 ARG A 69 8.845 35.498 -19.603 1.00 0.00 H new ATOM 0 HG3 ARG A 69 8.668 34.762 -18.022 1.00 0.00 H new ATOM 0 HD2 ARG A 69 7.650 36.926 -17.171 1.00 0.00 H new ATOM 0 HD3 ARG A 69 7.750 37.581 -18.793 1.00 0.00 H new ATOM 0 HE ARG A 69 5.875 35.493 -17.847 1.00 0.00 H new ATOM 0 HH11 ARG A 69 7.409 37.175 -20.515 1.00 0.00 H new ATOM 0 HH12 ARG A 69 6.131 36.779 -21.669 1.00 0.00 H new ATOM 0 HH21 ARG A 69 4.244 34.990 -19.330 1.00 0.00 H new ATOM 0 HH22 ARG A 69 4.352 35.550 -21.002 1.00 0.00 H new ATOM 639 N THR A 70 10.001 33.790 -15.798 1.00 0.00 N ATOM 640 CA THR A 70 10.282 32.373 -15.606 1.00 0.00 C ATOM 641 C THR A 70 10.056 31.608 -16.904 1.00 0.00 C ATOM 642 O THR A 70 8.977 31.673 -17.496 1.00 0.00 O ATOM 643 CB THR A 70 9.377 31.807 -14.513 1.00 0.00 C ATOM 644 OG1 THR A 70 9.528 32.577 -13.329 1.00 0.00 O ATOM 645 CG2 THR A 70 9.758 30.353 -14.234 1.00 0.00 C ATOM 0 H THR A 70 9.135 34.114 -15.367 1.00 0.00 H new ATOM 0 HA THR A 70 11.324 32.262 -15.306 1.00 0.00 H new ATOM 0 HB THR A 70 8.339 31.849 -14.842 1.00 0.00 H new ATOM 0 HG1 THR A 70 8.947 32.216 -12.628 1.00 0.00 H new ATOM 0 HG21 THR A 70 9.112 29.951 -13.454 1.00 0.00 H new ATOM 0 HG22 THR A 70 9.638 29.765 -15.144 1.00 0.00 H new ATOM 0 HG23 THR A 70 10.796 30.306 -13.905 1.00 0.00 H new ATOM 653 N VAL A 71 11.082 30.880 -17.344 1.00 0.00 N ATOM 654 CA VAL A 71 10.995 30.098 -18.579 1.00 0.00 C ATOM 655 C VAL A 71 11.655 28.732 -18.406 1.00 0.00 C ATOM 656 O VAL A 71 12.704 28.610 -17.774 1.00 0.00 O ATOM 657 CB VAL A 71 11.674 30.859 -19.720 1.00 0.00 C ATOM 658 CG1 VAL A 71 10.861 32.111 -20.054 1.00 0.00 C ATOM 659 CG2 VAL A 71 13.085 31.279 -19.300 1.00 0.00 C ATOM 0 H VAL A 71 11.981 30.815 -16.866 1.00 0.00 H new ATOM 0 HA VAL A 71 9.942 29.944 -18.817 1.00 0.00 H new ATOM 0 HB VAL A 71 11.732 30.210 -20.594 1.00 0.00 H new ATOM 0 HG11 VAL A 71 11.345 32.653 -20.867 1.00 0.00 H new ATOM 0 HG12 VAL A 71 9.855 31.821 -20.359 1.00 0.00 H new ATOM 0 HG13 VAL A 71 10.803 32.752 -19.175 1.00 0.00 H new ATOM 0 HG21 VAL A 71 13.562 31.820 -20.117 1.00 0.00 H new ATOM 0 HG22 VAL A 71 13.027 31.924 -18.423 1.00 0.00 H new ATOM 0 HG23 VAL A 71 13.672 30.393 -19.060 1.00 0.00 H new ATOM 669 N SER A 72 11.030 27.703 -18.969 1.00 0.00 N ATOM 670 CA SER A 72 11.569 26.352 -18.876 1.00 0.00 C ATOM 671 C SER A 72 12.701 26.163 -19.885 1.00 0.00 C ATOM 672 O SER A 72 12.683 26.752 -20.964 1.00 0.00 O ATOM 673 CB SER A 72 10.474 25.325 -19.135 1.00 0.00 C ATOM 674 OG SER A 72 11.016 24.019 -18.983 1.00 0.00 O ATOM 0 H SER A 72 10.157 27.778 -19.490 1.00 0.00 H new ATOM 0 HA SER A 72 11.961 26.207 -17.869 1.00 0.00 H new ATOM 0 HB2 SER A 72 9.648 25.473 -18.439 1.00 0.00 H new ATOM 0 HB3 SER A 72 10.071 25.450 -20.140 1.00 0.00 H new ATOM 0 HG SER A 72 10.316 23.353 -19.147 1.00 0.00 H new ATOM 680 N VAL A 73 13.684 25.342 -19.532 1.00 0.00 N ATOM 681 CA VAL A 73 14.811 25.099 -20.428 1.00 0.00 C ATOM 682 C VAL A 73 14.374 24.234 -21.610 1.00 0.00 C ATOM 683 O VAL A 73 13.681 23.233 -21.430 1.00 0.00 O ATOM 684 CB VAL A 73 15.943 24.406 -19.673 1.00 0.00 C ATOM 685 CG1 VAL A 73 17.121 24.161 -20.621 1.00 0.00 C ATOM 686 CG2 VAL A 73 16.396 25.297 -18.516 1.00 0.00 C ATOM 0 H VAL A 73 13.725 24.840 -18.645 1.00 0.00 H new ATOM 0 HA VAL A 73 15.167 26.058 -20.804 1.00 0.00 H new ATOM 0 HB VAL A 73 15.590 23.451 -19.284 1.00 0.00 H new ATOM 0 HG11 VAL A 73 17.927 23.666 -20.079 1.00 0.00 H new ATOM 0 HG12 VAL A 73 16.797 23.528 -21.447 1.00 0.00 H new ATOM 0 HG13 VAL A 73 17.478 25.114 -21.012 1.00 0.00 H new ATOM 0 HG21 VAL A 73 17.204 24.806 -17.974 1.00 0.00 H new ATOM 0 HG22 VAL A 73 16.749 26.251 -18.908 1.00 0.00 H new ATOM 0 HG23 VAL A 73 15.558 25.470 -17.840 1.00 0.00 H new ATOM 696 N SER A 74 14.784 24.618 -22.816 1.00 0.00 N ATOM 697 CA SER A 74 14.427 23.858 -24.012 1.00 0.00 C ATOM 698 C SER A 74 15.015 22.451 -23.969 1.00 0.00 C ATOM 699 O SER A 74 14.339 21.472 -24.290 1.00 0.00 O ATOM 700 CB SER A 74 14.930 24.580 -25.260 1.00 0.00 C ATOM 701 OG SER A 74 14.882 23.691 -26.367 1.00 0.00 O ATOM 0 H SER A 74 15.358 25.443 -22.991 1.00 0.00 H new ATOM 0 HA SER A 74 13.340 23.778 -24.045 1.00 0.00 H new ATOM 0 HB2 SER A 74 14.317 25.459 -25.458 1.00 0.00 H new ATOM 0 HB3 SER A 74 15.950 24.931 -25.105 1.00 0.00 H new ATOM 0 HG SER A 74 15.763 23.281 -26.495 1.00 0.00 H new ATOM 707 N ASP A 75 16.285 22.356 -23.576 1.00 0.00 N ATOM 708 CA ASP A 75 16.970 21.065 -23.501 1.00 0.00 C ATOM 709 C ASP A 75 17.992 21.064 -22.366 1.00 0.00 C ATOM 710 O ASP A 75 19.188 21.242 -22.601 1.00 0.00 O ATOM 711 CB ASP A 75 17.676 20.777 -24.829 1.00 0.00 C ATOM 712 CG ASP A 75 16.657 20.781 -25.961 1.00 0.00 C ATOM 713 OD1 ASP A 75 15.921 19.816 -26.072 1.00 0.00 O1- ATOM 714 OD2 ASP A 75 16.621 21.756 -26.695 1.00 0.00 O ATOM 0 H ASP A 75 16.859 23.154 -23.305 1.00 0.00 H new ATOM 0 HA ASP A 75 16.230 20.289 -23.305 1.00 0.00 H new ATOM 0 HB2 ASP A 75 18.444 21.528 -25.015 1.00 0.00 H new ATOM 0 HB3 ASP A 75 18.179 19.811 -24.783 1.00 0.00 H new ATOM 719 N PRO A 76 17.549 20.875 -21.147 1.00 0.00 N ATOM 720 CA PRO A 76 18.449 20.861 -19.963 1.00 0.00 C ATOM 721 C PRO A 76 19.163 19.521 -19.796 1.00 0.00 C ATOM 722 O PRO A 76 18.631 18.472 -20.162 1.00 0.00 O ATOM 723 CB PRO A 76 17.496 21.147 -18.794 1.00 0.00 C ATOM 724 CG PRO A 76 16.174 20.584 -19.221 1.00 0.00 C ATOM 725 CD PRO A 76 16.140 20.642 -20.761 1.00 0.00 C ATOM 0 HA PRO A 76 19.258 21.588 -20.043 1.00 0.00 H new ATOM 0 HB2 PRO A 76 17.847 20.677 -17.875 1.00 0.00 H new ATOM 0 HB3 PRO A 76 17.424 22.217 -18.597 1.00 0.00 H new ATOM 0 HG2 PRO A 76 16.060 19.558 -18.870 1.00 0.00 H new ATOM 0 HG3 PRO A 76 15.353 21.160 -18.794 1.00 0.00 H new ATOM 0 HD2 PRO A 76 15.759 19.713 -21.186 1.00 0.00 H new ATOM 0 HD3 PRO A 76 15.492 21.444 -21.115 1.00 0.00 H new ATOM 733 N LYS A 77 20.376 19.566 -19.239 1.00 0.00 N ATOM 734 CA LYS A 77 21.172 18.354 -19.018 1.00 0.00 C ATOM 735 C LYS A 77 21.476 18.180 -17.538 1.00 0.00 C ATOM 736 O LYS A 77 22.322 18.874 -16.975 1.00 0.00 O ATOM 737 CB LYS A 77 22.482 18.438 -19.794 1.00 0.00 C ATOM 738 CG LYS A 77 22.196 18.291 -21.286 1.00 0.00 C ATOM 739 CD LYS A 77 23.506 18.394 -22.061 1.00 0.00 C ATOM 740 CE LYS A 77 23.231 18.149 -23.541 1.00 0.00 C ATOM 741 NZ LYS A 77 24.500 18.274 -24.310 1.00 0.00 N1+ ATOM 0 H LYS A 77 20.829 20.427 -18.933 1.00 0.00 H new ATOM 0 HA LYS A 77 20.596 17.498 -19.368 1.00 0.00 H new ATOM 0 HB2 LYS A 77 22.973 19.391 -19.599 1.00 0.00 H new ATOM 0 HB3 LYS A 77 23.164 17.654 -19.464 1.00 0.00 H new ATOM 0 HG2 LYS A 77 21.717 17.332 -21.484 1.00 0.00 H new ATOM 0 HG3 LYS A 77 21.504 19.067 -21.614 1.00 0.00 H new ATOM 0 HD2 LYS A 77 23.950 19.379 -21.919 1.00 0.00 H new ATOM 0 HD3 LYS A 77 24.223 17.664 -21.686 1.00 0.00 H new ATOM 0 HE2 LYS A 77 22.804 17.156 -23.683 1.00 0.00 H new ATOM 0 HE3 LYS A 77 22.498 18.867 -23.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 24.312 18.107 -25.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 24.890 19.230 -24.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 25.186 17.572 -23.965 1.00 0.00 H new ATOM 755 N VAL A 78 20.777 17.237 -16.922 1.00 0.00 N ATOM 756 CA VAL A 78 20.965 16.946 -15.501 1.00 0.00 C ATOM 757 C VAL A 78 20.743 15.459 -15.229 1.00 0.00 C ATOM 758 O VAL A 78 20.100 14.762 -16.012 1.00 0.00 O ATOM 759 CB VAL A 78 20.001 17.794 -14.653 1.00 0.00 C ATOM 760 CG1 VAL A 78 20.556 19.218 -14.514 1.00 0.00 C ATOM 761 CG2 VAL A 78 18.622 17.857 -15.325 1.00 0.00 C ATOM 0 H VAL A 78 20.074 16.658 -17.381 1.00 0.00 H new ATOM 0 HA VAL A 78 21.989 17.200 -15.225 1.00 0.00 H new ATOM 0 HB VAL A 78 19.902 17.336 -13.669 1.00 0.00 H new ATOM 0 HG11 VAL A 78 19.872 19.818 -13.913 1.00 0.00 H new ATOM 0 HG12 VAL A 78 21.531 19.183 -14.028 1.00 0.00 H new ATOM 0 HG13 VAL A 78 20.659 19.666 -15.502 1.00 0.00 H new ATOM 0 HG21 VAL A 78 17.948 18.460 -14.716 1.00 0.00 H new ATOM 0 HG22 VAL A 78 18.719 18.307 -16.313 1.00 0.00 H new ATOM 0 HG23 VAL A 78 18.219 16.849 -15.423 1.00 0.00 H new ATOM 771 N ILE A 79 21.276 14.982 -14.103 1.00 0.00 N ATOM 772 CA ILE A 79 21.134 13.574 -13.719 1.00 0.00 C ATOM 773 C ILE A 79 20.199 13.444 -12.519 1.00 0.00 C ATOM 774 O ILE A 79 19.956 14.414 -11.803 1.00 0.00 O ATOM 775 CB ILE A 79 22.506 12.987 -13.368 1.00 0.00 C ATOM 776 CG1 ILE A 79 23.253 13.946 -12.441 1.00 0.00 C ATOM 777 CG2 ILE A 79 23.320 12.778 -14.643 1.00 0.00 C ATOM 778 CD1 ILE A 79 24.584 13.316 -12.030 1.00 0.00 C ATOM 0 H ILE A 79 21.809 15.547 -13.442 1.00 0.00 H new ATOM 0 HA ILE A 79 20.710 13.025 -14.560 1.00 0.00 H new ATOM 0 HB ILE A 79 22.367 12.029 -12.866 1.00 0.00 H new ATOM 0 HG12 ILE A 79 23.428 14.896 -12.946 1.00 0.00 H new ATOM 0 HG13 ILE A 79 22.651 14.160 -11.558 1.00 0.00 H new ATOM 0 HG21 ILE A 79 24.294 12.361 -14.388 1.00 0.00 H new ATOM 0 HG22 ILE A 79 22.792 12.090 -15.303 1.00 0.00 H new ATOM 0 HG23 ILE A 79 23.456 13.734 -15.149 1.00 0.00 H new ATOM 0 HD11 ILE A 79 25.120 13.997 -11.369 1.00 0.00 H new ATOM 0 HD12 ILE A 79 24.397 12.377 -11.509 1.00 0.00 H new ATOM 0 HD13 ILE A 79 25.186 13.124 -12.919 1.00 0.00 H new ATOM 790 N CYS A 80 19.676 12.239 -12.313 1.00 0.00 N ATOM 791 CA CYS A 80 18.761 11.991 -11.202 1.00 0.00 C ATOM 792 C CYS A 80 19.535 11.796 -9.902 1.00 0.00 C ATOM 793 O CYS A 80 20.750 11.621 -9.915 1.00 0.00 O ATOM 794 CB CYS A 80 17.911 10.752 -11.485 1.00 0.00 C ATOM 795 SG CYS A 80 18.971 9.297 -11.554 1.00 0.00 S ATOM 0 H CYS A 80 19.868 11.424 -12.896 1.00 0.00 H new ATOM 0 HA CYS A 80 18.109 12.858 -11.096 1.00 0.00 H new ATOM 0 HB2 CYS A 80 17.158 10.629 -10.707 1.00 0.00 H new ATOM 0 HB3 CYS A 80 17.378 10.872 -12.428 1.00 0.00 H new ATOM 0 HG CYS A 80 18.336 8.274 -11.065 1.00 0.00 H new ATOM 800 N ARG A 81 18.819 11.830 -8.783 1.00 0.00 N ATOM 801 CA ARG A 81 19.452 11.665 -7.479 1.00 0.00 C ATOM 802 C ARG A 81 20.132 10.305 -7.372 1.00 0.00 C ATOM 803 O ARG A 81 21.225 10.191 -6.816 1.00 0.00 O ATOM 804 CB ARG A 81 18.410 11.795 -6.367 1.00 0.00 C ATOM 805 CG ARG A 81 17.961 13.251 -6.256 1.00 0.00 C ATOM 806 CD ARG A 81 16.865 13.366 -5.198 1.00 0.00 C ATOM 807 NE ARG A 81 17.389 12.973 -3.893 1.00 0.00 N ATOM 808 CZ ARG A 81 18.071 13.829 -3.138 1.00 0.00 C ATOM 809 NH1 ARG A 81 18.290 15.043 -3.563 1.00 0.00 N ATOM 810 NH2 ARG A 81 18.526 13.452 -1.975 1.00 0.00 N1+ ATOM 0 H ARG A 81 17.809 11.969 -8.752 1.00 0.00 H new ATOM 0 HA ARG A 81 20.205 12.446 -7.370 1.00 0.00 H new ATOM 0 HB2 ARG A 81 17.554 11.155 -6.580 1.00 0.00 H new ATOM 0 HB3 ARG A 81 18.831 11.460 -5.419 1.00 0.00 H new ATOM 0 HG2 ARG A 81 18.807 13.884 -5.989 1.00 0.00 H new ATOM 0 HG3 ARG A 81 17.590 13.603 -7.219 1.00 0.00 H new ATOM 0 HD2 ARG A 81 16.494 14.390 -5.157 1.00 0.00 H new ATOM 0 HD3 ARG A 81 16.021 12.731 -5.466 1.00 0.00 H new ATOM 0 HE ARG A 81 17.229 12.024 -3.554 1.00 0.00 H new ATOM 0 HH11 ARG A 81 17.938 15.336 -4.475 1.00 0.00 H new ATOM 0 HH12 ARG A 81 18.813 15.700 -2.984 1.00 0.00 H new ATOM 0 HH21 ARG A 81 18.358 12.501 -1.646 1.00 0.00 H new ATOM 0 HH22 ARG A 81 19.049 14.108 -1.395 1.00 0.00 H new ATOM 824 N THR A 82 19.487 9.274 -7.906 1.00 0.00 N ATOM 825 CA THR A 82 20.048 7.928 -7.856 1.00 0.00 C ATOM 826 C THR A 82 21.357 7.862 -8.639 1.00 0.00 C ATOM 827 O THR A 82 22.242 7.070 -8.319 1.00 0.00 O ATOM 828 CB THR A 82 19.047 6.931 -8.442 1.00 0.00 C ATOM 829 OG1 THR A 82 18.711 7.323 -9.764 1.00 0.00 O ATOM 830 CG2 THR A 82 17.784 6.908 -7.580 1.00 0.00 C ATOM 0 H THR A 82 18.584 9.342 -8.375 1.00 0.00 H new ATOM 0 HA THR A 82 20.251 7.674 -6.816 1.00 0.00 H new ATOM 0 HB THR A 82 19.492 5.936 -8.459 1.00 0.00 H new ATOM 0 HG1 THR A 82 19.157 8.169 -9.978 1.00 0.00 H new ATOM 0 HG21 THR A 82 17.071 6.197 -7.998 1.00 0.00 H new ATOM 0 HG22 THR A 82 18.042 6.608 -6.564 1.00 0.00 H new ATOM 0 HG23 THR A 82 17.337 7.902 -7.562 1.00 0.00 H new ATOM 838 N CYS A 83 21.468 8.697 -9.669 1.00 0.00 N ATOM 839 CA CYS A 83 22.672 8.725 -10.492 1.00 0.00 C ATOM 840 C CYS A 83 23.804 9.455 -9.766 1.00 0.00 C ATOM 841 O CYS A 83 24.974 9.317 -10.125 1.00 0.00 O ATOM 842 CB CYS A 83 22.372 9.409 -11.834 1.00 0.00 C ATOM 843 SG CYS A 83 21.756 8.182 -13.014 1.00 0.00 S ATOM 0 H CYS A 83 20.744 9.358 -9.951 1.00 0.00 H new ATOM 0 HA CYS A 83 22.991 7.700 -10.679 1.00 0.00 H new ATOM 0 HB2 CYS A 83 21.633 10.198 -11.695 1.00 0.00 H new ATOM 0 HB3 CYS A 83 23.274 9.882 -12.223 1.00 0.00 H new ATOM 0 HG CYS A 83 20.456 8.188 -13.007 1.00 0.00 H new ATOM 947 N SER A 90 23.587 1.561 5.357 1.00 0.00 N ATOM 948 CA SER A 90 24.589 0.538 5.634 1.00 0.00 C ATOM 949 C SER A 90 24.724 -0.405 4.439 1.00 0.00 C ATOM 950 O SER A 90 23.961 -0.315 3.476 1.00 0.00 O ATOM 951 CB SER A 90 24.181 -0.260 6.880 1.00 0.00 C ATOM 952 OG SER A 90 24.505 0.489 8.045 1.00 0.00 O ATOM 0 HA SER A 90 25.549 1.022 5.812 1.00 0.00 H new ATOM 0 HB2 SER A 90 23.112 -0.473 6.856 1.00 0.00 H new ATOM 0 HB3 SER A 90 24.697 -1.220 6.896 1.00 0.00 H new ATOM 0 HG SER A 90 24.244 -0.017 8.842 1.00 0.00 H new ATOM 958 N ILE A 91 25.706 -1.305 4.505 1.00 0.00 N ATOM 959 CA ILE A 91 25.947 -2.260 3.425 1.00 0.00 C ATOM 960 C ILE A 91 25.952 -3.680 3.970 1.00 0.00 C ATOM 961 O ILE A 91 26.595 -3.968 4.978 1.00 0.00 O ATOM 962 CB ILE A 91 27.290 -1.953 2.773 1.00 0.00 C ATOM 963 CG1 ILE A 91 27.250 -0.538 2.193 1.00 0.00 C ATOM 964 CG2 ILE A 91 27.549 -2.950 1.645 1.00 0.00 C ATOM 965 CD1 ILE A 91 28.669 -0.079 1.871 1.00 0.00 C ATOM 0 H ILE A 91 26.346 -1.392 5.294 1.00 0.00 H new ATOM 0 HA ILE A 91 25.151 -2.173 2.685 1.00 0.00 H new ATOM 0 HB ILE A 91 28.084 -2.029 3.516 1.00 0.00 H new ATOM 0 HG12 ILE A 91 26.637 -0.520 1.292 1.00 0.00 H new ATOM 0 HG13 ILE A 91 26.788 0.146 2.906 1.00 0.00 H new ATOM 0 HG21 ILE A 91 28.509 -2.730 1.179 1.00 0.00 H new ATOM 0 HG22 ILE A 91 27.565 -3.962 2.050 1.00 0.00 H new ATOM 0 HG23 ILE A 91 26.757 -2.870 0.900 1.00 0.00 H new ATOM 0 HD11 ILE A 91 28.640 0.929 1.458 1.00 0.00 H new ATOM 0 HD12 ILE A 91 29.268 -0.081 2.782 1.00 0.00 H new ATOM 0 HD13 ILE A 91 29.114 -0.757 1.143 1.00 0.00 H new ATOM 977 N TRP A 92 25.225 -4.565 3.297 1.00 0.00 N ATOM 978 CA TRP A 92 25.146 -5.959 3.721 1.00 0.00 C ATOM 979 C TRP A 92 26.323 -6.753 3.168 1.00 0.00 C ATOM 980 O TRP A 92 26.538 -6.801 1.957 1.00 0.00 O ATOM 981 CB TRP A 92 23.839 -6.584 3.228 1.00 0.00 C ATOM 982 CG TRP A 92 23.688 -7.954 3.816 1.00 0.00 C ATOM 983 CD1 TRP A 92 24.433 -9.034 3.483 1.00 0.00 C ATOM 984 CD2 TRP A 92 22.745 -8.408 4.829 1.00 0.00 C ATOM 985 NE1 TRP A 92 24.008 -10.119 4.224 1.00 0.00 N ATOM 986 CE2 TRP A 92 22.971 -9.786 5.070 1.00 0.00 C ATOM 987 CE3 TRP A 92 21.729 -7.766 5.556 1.00 0.00 C ATOM 988 CZ2 TRP A 92 22.211 -10.497 6.000 1.00 0.00 C ATOM 989 CZ3 TRP A 92 20.963 -8.479 6.492 1.00 0.00 C ATOM 990 CH2 TRP A 92 21.205 -9.843 6.713 1.00 0.00 C ATOM 0 H TRP A 92 24.685 -4.344 2.460 1.00 0.00 H new ATOM 0 HA TRP A 92 25.177 -5.988 4.810 1.00 0.00 H new ATOM 0 HB2 TRP A 92 22.994 -5.958 3.514 1.00 0.00 H new ATOM 0 HB3 TRP A 92 23.839 -6.642 2.140 1.00 0.00 H new ATOM 0 HD1 TRP A 92 25.231 -9.045 2.755 1.00 0.00 H new ATOM 0 HE1 TRP A 92 24.412 -11.053 4.154 1.00 0.00 H new ATOM 0 HE3 TRP A 92 21.536 -6.716 5.394 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 22.400 -11.547 6.167 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 20.184 -7.975 7.044 1.00 0.00 H new ATOM 0 HH2 TRP A 92 20.613 -10.387 7.434 1.00 0.00 H new ATOM 1001 N CYS A 93 27.079 -7.381 4.066 1.00 0.00 N ATOM 1002 CA CYS A 93 28.232 -8.183 3.667 1.00 0.00 C ATOM 1003 C CYS A 93 27.828 -9.628 3.419 1.00 0.00 C ATOM 1004 O CYS A 93 27.134 -10.236 4.235 1.00 0.00 O ATOM 1005 CB CYS A 93 29.292 -8.164 4.756 1.00 0.00 C ATOM 1006 SG CYS A 93 30.743 -9.078 4.171 1.00 0.00 S ATOM 0 H CYS A 93 26.914 -7.350 5.072 1.00 0.00 H new ATOM 0 HA CYS A 93 28.630 -7.751 2.748 1.00 0.00 H new ATOM 0 HB2 CYS A 93 29.565 -7.137 4.999 1.00 0.00 H new ATOM 0 HB3 CYS A 93 28.904 -8.616 5.669 1.00 0.00 H new ATOM 0 HG CYS A 93 31.362 -9.605 5.186 1.00 0.00 H new ATOM 1011 N THR A 94 28.278 -10.185 2.298 1.00 0.00 N ATOM 1012 CA THR A 94 27.965 -11.572 1.969 1.00 0.00 C ATOM 1013 C THR A 94 29.043 -12.502 2.518 1.00 0.00 C ATOM 1014 O THR A 94 28.866 -13.718 2.558 1.00 0.00 O ATOM 1015 CB THR A 94 27.867 -11.740 0.453 1.00 0.00 C ATOM 1016 OG1 THR A 94 29.170 -11.924 -0.084 1.00 0.00 O ATOM 1017 CG2 THR A 94 27.232 -10.490 -0.160 1.00 0.00 C ATOM 0 H THR A 94 28.855 -9.703 1.608 1.00 0.00 H new ATOM 0 HA THR A 94 27.008 -11.830 2.423 1.00 0.00 H new ATOM 0 HB THR A 94 27.251 -12.608 0.221 1.00 0.00 H new ATOM 0 HG1 THR A 94 29.111 -12.034 -1.056 1.00 0.00 H new ATOM 0 HG21 THR A 94 27.162 -10.610 -1.241 1.00 0.00 H new ATOM 0 HG22 THR A 94 26.234 -10.348 0.254 1.00 0.00 H new ATOM 0 HG23 THR A 94 27.847 -9.620 0.069 1.00 0.00 H new ATOM 1025 N ALA A 95 30.168 -11.919 2.943 1.00 0.00 N ATOM 1026 CA ALA A 95 31.272 -12.706 3.489 1.00 0.00 C ATOM 1027 C ALA A 95 31.121 -12.861 4.999 1.00 0.00 C ATOM 1028 O ALA A 95 31.737 -13.735 5.610 1.00 0.00 O ATOM 1029 CB ALA A 95 32.606 -12.021 3.182 1.00 0.00 C ATOM 0 H ALA A 95 30.335 -10.913 2.919 1.00 0.00 H new ATOM 0 HA ALA A 95 31.253 -13.692 3.025 1.00 0.00 H new ATOM 0 HB1 ALA A 95 33.423 -12.615 3.593 1.00 0.00 H new ATOM 0 HB2 ALA A 95 32.729 -11.932 2.103 1.00 0.00 H new ATOM 0 HB3 ALA A 95 32.617 -11.028 3.632 1.00 0.00 H new ATOM 1035 N CYS A 96 30.289 -12.005 5.605 1.00 0.00 N ATOM 1036 CA CYS A 96 30.051 -12.051 7.052 1.00 0.00 C ATOM 1037 C CYS A 96 28.565 -12.277 7.336 1.00 0.00 C ATOM 1038 O CYS A 96 28.172 -12.552 8.470 1.00 0.00 O ATOM 1039 CB CYS A 96 30.493 -10.733 7.699 1.00 0.00 C ATOM 1040 SG CYS A 96 32.244 -10.440 7.348 1.00 0.00 S ATOM 0 H CYS A 96 29.771 -11.274 5.117 1.00 0.00 H new ATOM 0 HA CYS A 96 30.628 -12.875 7.472 1.00 0.00 H new ATOM 0 HB2 CYS A 96 29.892 -9.909 7.315 1.00 0.00 H new ATOM 0 HB3 CYS A 96 30.329 -10.772 8.776 1.00 0.00 H new ATOM 0 HG CYS A 96 32.418 -9.194 7.021 1.00 0.00 H new ATOM 1045 N GLN A 97 27.748 -12.157 6.294 1.00 0.00 N ATOM 1046 CA GLN A 97 26.307 -12.349 6.432 1.00 0.00 C ATOM 1047 C GLN A 97 25.742 -11.433 7.512 1.00 0.00 C ATOM 1048 O GLN A 97 24.831 -11.811 8.246 1.00 0.00 O ATOM 1049 CB GLN A 97 26.008 -13.803 6.794 1.00 0.00 C ATOM 1050 CG GLN A 97 26.378 -14.707 5.617 1.00 0.00 C ATOM 1051 CD GLN A 97 26.135 -16.165 5.984 1.00 0.00 C ATOM 1052 OE1 GLN A 97 25.661 -16.460 7.081 1.00 0.00 O ATOM 1053 NE2 GLN A 97 26.429 -17.101 5.125 1.00 0.00 N ATOM 0 H GLN A 97 28.056 -11.929 5.349 1.00 0.00 H new ATOM 0 HA GLN A 97 25.836 -12.104 5.480 1.00 0.00 H new ATOM 0 HB2 GLN A 97 26.573 -14.092 7.680 1.00 0.00 H new ATOM 0 HB3 GLN A 97 24.952 -13.919 7.038 1.00 0.00 H new ATOM 0 HG2 GLN A 97 25.785 -14.440 4.742 1.00 0.00 H new ATOM 0 HG3 GLN A 97 27.424 -14.560 5.350 1.00 0.00 H new ATOM 0 HE21 GLN A 97 26.822 -16.854 4.216 1.00 0.00 H new ATOM 0 HE22 GLN A 97 26.266 -18.080 5.362 1.00 0.00 H new ATOM 1062 N GLN A 98 26.293 -10.222 7.603 1.00 0.00 N ATOM 1063 CA GLN A 98 25.842 -9.250 8.598 1.00 0.00 C ATOM 1064 C GLN A 98 25.834 -7.841 8.014 1.00 0.00 C ATOM 1065 O GLN A 98 26.535 -7.554 7.045 1.00 0.00 O ATOM 1066 CB GLN A 98 26.761 -9.288 9.825 1.00 0.00 C ATOM 1067 CG GLN A 98 26.536 -10.590 10.600 1.00 0.00 C ATOM 1068 CD GLN A 98 27.509 -10.672 11.773 1.00 0.00 C ATOM 1069 OE1 GLN A 98 28.709 -10.463 11.602 1.00 0.00 O ATOM 1070 NE2 GLN A 98 27.058 -10.962 12.964 1.00 0.00 N ATOM 0 H GLN A 98 27.049 -9.892 7.003 1.00 0.00 H new ATOM 0 HA GLN A 98 24.827 -9.514 8.894 1.00 0.00 H new ATOM 0 HB2 GLN A 98 27.803 -9.215 9.513 1.00 0.00 H new ATOM 0 HB3 GLN A 98 26.560 -8.431 10.468 1.00 0.00 H new ATOM 0 HG2 GLN A 98 25.510 -10.634 10.964 1.00 0.00 H new ATOM 0 HG3 GLN A 98 26.677 -11.445 9.939 1.00 0.00 H new ATOM 0 HE21 GLN A 98 26.063 -11.135 13.104 1.00 0.00 H new ATOM 0 HE22 GLN A 98 27.701 -11.015 13.754 1.00 0.00 H new ATOM 1079 N THR A 99 25.028 -6.969 8.616 1.00 0.00 N ATOM 1080 CA THR A 99 24.925 -5.587 8.159 1.00 0.00 C ATOM 1081 C THR A 99 26.047 -4.742 8.747 1.00 0.00 C ATOM 1082 O THR A 99 26.380 -4.865 9.926 1.00 0.00 O ATOM 1083 CB THR A 99 23.576 -4.995 8.567 1.00 0.00 C ATOM 1084 OG1 THR A 99 22.529 -5.793 8.034 1.00 0.00 O ATOM 1085 CG2 THR A 99 23.466 -3.572 8.023 1.00 0.00 C ATOM 0 H THR A 99 24.439 -7.195 9.418 1.00 0.00 H new ATOM 0 HA THR A 99 25.009 -5.582 7.072 1.00 0.00 H new ATOM 0 HB THR A 99 23.496 -4.976 9.654 1.00 0.00 H new ATOM 0 HG1 THR A 99 22.829 -6.212 7.200 1.00 0.00 H new ATOM 0 HG21 THR A 99 22.505 -3.145 8.311 1.00 0.00 H new ATOM 0 HG22 THR A 99 24.271 -2.963 8.433 1.00 0.00 H new ATOM 0 HG23 THR A 99 23.543 -3.591 6.936 1.00 0.00 H new ATOM 1093 N LYS A 100 26.628 -3.879 7.917 1.00 0.00 N ATOM 1094 CA LYS A 100 27.718 -3.008 8.357 1.00 0.00 C ATOM 1095 C LYS A 100 27.537 -1.594 7.825 1.00 0.00 C ATOM 1096 O LYS A 100 27.037 -1.389 6.722 1.00 0.00 O ATOM 1097 CB LYS A 100 29.051 -3.562 7.852 1.00 0.00 C ATOM 1098 CG LYS A 100 29.458 -4.809 8.648 1.00 0.00 C ATOM 1099 CD LYS A 100 30.134 -4.408 9.970 1.00 0.00 C ATOM 1100 CE LYS A 100 30.548 -5.667 10.739 1.00 0.00 C ATOM 1101 NZ LYS A 100 31.653 -6.353 10.010 1.00 0.00 N1+ ATOM 0 H LYS A 100 26.364 -3.763 6.939 1.00 0.00 H new ATOM 0 HA LYS A 100 27.710 -2.977 9.447 1.00 0.00 H new ATOM 0 HB2 LYS A 100 28.969 -3.811 6.794 1.00 0.00 H new ATOM 0 HB3 LYS A 100 29.825 -2.799 7.941 1.00 0.00 H new ATOM 0 HG2 LYS A 100 28.579 -5.420 8.853 1.00 0.00 H new ATOM 0 HG3 LYS A 100 30.139 -5.420 8.055 1.00 0.00 H new ATOM 0 HD2 LYS A 100 31.008 -3.788 9.770 1.00 0.00 H new ATOM 0 HD3 LYS A 100 29.451 -3.810 10.573 1.00 0.00 H new ATOM 0 HE2 LYS A 100 30.872 -5.402 11.745 1.00 0.00 H new ATOM 0 HE3 LYS A 100 29.696 -6.338 10.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 32.003 -7.149 10.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 31.300 -6.709 9.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 32.428 -5.680 9.842 1.00 0.00 H new ATOM 1115 N GLY A 101 27.964 -0.624 8.618 1.00 0.00 N ATOM 1116 CA GLY A 101 27.855 0.770 8.219 1.00 0.00 C ATOM 1117 C GLY A 101 28.786 1.074 7.058 1.00 0.00 C ATOM 1118 O GLY A 101 29.670 0.282 6.724 1.00 0.00 O ATOM 0 H GLY A 101 28.386 -0.774 9.534 1.00 0.00 H new ATOM 0 HA2 GLY A 101 26.827 0.992 7.934 1.00 0.00 H new ATOM 0 HA3 GLY A 101 28.098 1.415 9.064 1.00 0.00 H new ATOM 1122 N ILE A 102 28.579 2.230 6.444 1.00 0.00 N ATOM 1123 CA ILE A 102 29.403 2.641 5.318 1.00 0.00 C ATOM 1124 C ILE A 102 30.760 3.149 5.796 1.00 0.00 C ATOM 1125 O ILE A 102 31.725 3.178 5.033 1.00 0.00 O ATOM 1126 CB ILE A 102 28.690 3.729 4.514 1.00 0.00 C ATOM 1127 CG1 ILE A 102 28.311 4.891 5.439 1.00 0.00 C ATOM 1128 CG2 ILE A 102 27.430 3.149 3.867 1.00 0.00 C ATOM 1129 CD1 ILE A 102 27.481 5.908 4.656 1.00 0.00 C ATOM 0 H ILE A 102 27.852 2.896 6.705 1.00 0.00 H new ATOM 0 HA ILE A 102 29.566 1.774 4.679 1.00 0.00 H new ATOM 0 HB ILE A 102 29.357 4.096 3.734 1.00 0.00 H new ATOM 0 HG12 ILE A 102 27.744 4.521 6.293 1.00 0.00 H new ATOM 0 HG13 ILE A 102 29.210 5.365 5.834 1.00 0.00 H new ATOM 0 HG21 ILE A 102 26.924 3.927 3.295 1.00 0.00 H new ATOM 0 HG22 ILE A 102 27.706 2.331 3.202 1.00 0.00 H new ATOM 0 HG23 ILE A 102 26.761 2.776 4.643 1.00 0.00 H new ATOM 0 HD11 ILE A 102 27.209 6.736 5.310 1.00 0.00 H new ATOM 0 HD12 ILE A 102 28.065 6.285 3.816 1.00 0.00 H new ATOM 0 HD13 ILE A 102 26.576 5.429 4.282 1.00 0.00 H new ATOM 1141 N ASN A 103 30.826 3.545 7.064 1.00 0.00 N ATOM 1142 CA ASN A 103 32.071 4.047 7.637 1.00 0.00 C ATOM 1143 C ASN A 103 33.134 2.947 7.686 1.00 0.00 C ATOM 1144 O ASN A 103 34.302 3.183 7.378 1.00 0.00 O ATOM 1145 CB ASN A 103 31.809 4.575 9.051 1.00 0.00 C ATOM 1146 CG ASN A 103 31.096 5.922 8.984 1.00 0.00 C ATOM 1147 OD1 ASN A 103 31.248 6.658 8.010 1.00 0.00 O ATOM 1148 ND2 ASN A 103 30.316 6.287 9.964 1.00 0.00 N ATOM 0 H ASN A 103 30.037 3.528 7.711 1.00 0.00 H new ATOM 0 HA ASN A 103 32.441 4.854 7.005 1.00 0.00 H new ATOM 0 HB2 ASN A 103 31.202 3.861 9.608 1.00 0.00 H new ATOM 0 HB3 ASN A 103 32.751 4.680 9.589 1.00 0.00 H new ATOM 0 HD21 ASN A 103 29.831 7.184 9.923 1.00 0.00 H new ATOM 0 HD22 ASN A 103 30.191 5.676 10.771 1.00 0.00 H new ATOM 1155 N GLU A 104 32.717 1.744 8.079 1.00 0.00 N ATOM 1156 CA GLU A 104 33.633 0.607 8.176 1.00 0.00 C ATOM 1157 C GLU A 104 33.796 -0.068 6.821 1.00 0.00 C ATOM 1158 O GLU A 104 34.250 -1.208 6.732 1.00 0.00 O ATOM 1159 CB GLU A 104 33.098 -0.405 9.193 1.00 0.00 C ATOM 1160 CG GLU A 104 33.153 0.204 10.595 1.00 0.00 C ATOM 1161 CD GLU A 104 32.536 -0.756 11.605 1.00 0.00 C ATOM 1162 OE1 GLU A 104 32.160 -1.844 11.203 1.00 0.00 O1- ATOM 1163 OE2 GLU A 104 32.450 -0.390 12.766 1.00 0.00 O ATOM 0 H GLU A 104 31.753 1.531 8.335 1.00 0.00 H new ATOM 0 HA GLU A 104 34.606 0.974 8.503 1.00 0.00 H new ATOM 0 HB2 GLU A 104 32.073 -0.680 8.944 1.00 0.00 H new ATOM 0 HB3 GLU A 104 33.690 -1.319 9.158 1.00 0.00 H new ATOM 0 HG2 GLU A 104 34.187 0.417 10.868 1.00 0.00 H new ATOM 0 HG3 GLU A 104 32.618 1.153 10.609 1.00 0.00 H new ATOM 1170 N PHE A 105 33.415 0.646 5.766 1.00 0.00 N ATOM 1171 CA PHE A 105 33.513 0.125 4.402 1.00 0.00 C ATOM 1172 C PHE A 105 34.257 1.112 3.504 1.00 0.00 C ATOM 1173 O PHE A 105 34.084 2.326 3.607 1.00 0.00 O ATOM 1174 CB PHE A 105 32.093 -0.143 3.850 1.00 0.00 C ATOM 1175 CG PHE A 105 31.728 -1.600 4.015 1.00 0.00 C ATOM 1176 CD1 PHE A 105 31.609 -2.151 5.292 1.00 0.00 C ATOM 1177 CD2 PHE A 105 31.532 -2.403 2.884 1.00 0.00 C ATOM 1178 CE1 PHE A 105 31.289 -3.502 5.439 1.00 0.00 C ATOM 1179 CE2 PHE A 105 31.218 -3.753 3.033 1.00 0.00 C ATOM 1180 CZ PHE A 105 31.098 -4.304 4.310 1.00 0.00 C ATOM 0 H PHE A 105 33.034 1.590 5.828 1.00 0.00 H new ATOM 0 HA PHE A 105 34.074 -0.809 4.416 1.00 0.00 H new ATOM 0 HB2 PHE A 105 31.369 0.481 4.374 1.00 0.00 H new ATOM 0 HB3 PHE A 105 32.048 0.132 2.796 1.00 0.00 H new ATOM 0 HD1 PHE A 105 31.764 -1.534 6.164 1.00 0.00 H new ATOM 0 HD2 PHE A 105 31.624 -1.976 1.896 1.00 0.00 H new ATOM 0 HE1 PHE A 105 31.189 -3.928 6.426 1.00 0.00 H new ATOM 0 HE2 PHE A 105 31.068 -4.372 2.161 1.00 0.00 H new ATOM 0 HZ PHE A 105 30.857 -5.350 4.426 1.00 0.00 H new ATOM 1190 N SER A 106 35.083 0.565 2.620 1.00 0.00 N ATOM 1191 CA SER A 106 35.855 1.384 1.696 1.00 0.00 C ATOM 1192 C SER A 106 34.955 1.941 0.600 1.00 0.00 C ATOM 1193 O SER A 106 33.844 1.455 0.389 1.00 0.00 O ATOM 1194 CB SER A 106 36.967 0.549 1.062 1.00 0.00 C ATOM 1195 OG SER A 106 37.913 1.418 0.457 1.00 0.00 O ATOM 0 H SER A 106 35.235 -0.439 2.524 1.00 0.00 H new ATOM 0 HA SER A 106 36.293 2.212 2.253 1.00 0.00 H new ATOM 0 HB2 SER A 106 37.453 -0.067 1.819 1.00 0.00 H new ATOM 0 HB3 SER A 106 36.550 -0.130 0.318 1.00 0.00 H new ATOM 0 HG SER A 106 38.630 0.888 0.050 1.00 0.00 H new ATOM 1201 N LYS A 107 35.443 2.961 -0.095 1.00 0.00 N ATOM 1202 CA LYS A 107 34.673 3.577 -1.171 1.00 0.00 C ATOM 1203 C LYS A 107 34.504 2.613 -2.343 1.00 0.00 C ATOM 1204 O LYS A 107 33.531 2.698 -3.092 1.00 0.00 O ATOM 1205 CB LYS A 107 35.363 4.849 -1.648 1.00 0.00 C ATOM 1206 CG LYS A 107 36.787 4.514 -2.061 1.00 0.00 C ATOM 1207 CD LYS A 107 37.526 5.807 -2.401 1.00 0.00 C ATOM 1208 CE LYS A 107 39.016 5.519 -2.567 1.00 0.00 C ATOM 1209 NZ LYS A 107 39.265 4.916 -3.906 1.00 0.00 N1+ ATOM 0 H LYS A 107 36.361 3.377 0.064 1.00 0.00 H new ATOM 0 HA LYS A 107 33.686 3.825 -0.781 1.00 0.00 H new ATOM 0 HB2 LYS A 107 34.819 5.280 -2.488 1.00 0.00 H new ATOM 0 HB3 LYS A 107 35.367 5.596 -0.854 1.00 0.00 H new ATOM 0 HG2 LYS A 107 37.299 3.989 -1.254 1.00 0.00 H new ATOM 0 HG3 LYS A 107 36.781 3.846 -2.923 1.00 0.00 H new ATOM 0 HD2 LYS A 107 37.124 6.236 -3.319 1.00 0.00 H new ATOM 0 HD3 LYS A 107 37.374 6.543 -1.611 1.00 0.00 H new ATOM 0 HE2 LYS A 107 39.588 6.440 -2.460 1.00 0.00 H new ATOM 0 HE3 LYS A 107 39.355 4.841 -1.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 40.281 4.721 -4.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 38.731 4.028 -3.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 38.957 5.577 -4.647 1.00 0.00 H new ATOM 1223 N ALA A 108 35.460 1.702 -2.499 1.00 0.00 N ATOM 1224 CA ALA A 108 35.412 0.726 -3.585 1.00 0.00 C ATOM 1225 C ALA A 108 34.559 -0.480 -3.191 1.00 0.00 C ATOM 1226 O ALA A 108 33.854 -1.051 -4.024 1.00 0.00 O ATOM 1227 CB ALA A 108 36.828 0.261 -3.925 1.00 0.00 C ATOM 0 H ALA A 108 36.274 1.618 -1.891 1.00 0.00 H new ATOM 0 HA ALA A 108 34.963 1.202 -4.457 1.00 0.00 H new ATOM 0 HB1 ALA A 108 36.787 -0.467 -4.735 1.00 0.00 H new ATOM 0 HB2 ALA A 108 37.427 1.117 -4.236 1.00 0.00 H new ATOM 0 HB3 ALA A 108 37.281 -0.199 -3.047 1.00 0.00 H new ATOM 1233 N GLN A 109 34.633 -0.863 -1.919 1.00 0.00 N ATOM 1234 CA GLN A 109 33.870 -2.006 -1.419 1.00 0.00 C ATOM 1235 C GLN A 109 32.367 -1.744 -1.563 1.00 0.00 C ATOM 1236 O GLN A 109 31.588 -2.654 -1.844 1.00 0.00 O ATOM 1237 CB GLN A 109 34.230 -2.271 0.058 1.00 0.00 C ATOM 1238 CG GLN A 109 35.408 -3.255 0.148 1.00 0.00 C ATOM 1239 CD GLN A 109 36.616 -2.691 -0.588 1.00 0.00 C ATOM 1240 OE1 GLN A 109 36.644 -2.723 -1.892 1.00 0.00 O flip ATOM 1241 NE2 GLN A 109 37.557 -2.205 0.039 1.00 0.00 N flip ATOM 0 H GLN A 109 35.211 -0.401 -1.217 1.00 0.00 H new ATOM 0 HA GLN A 109 34.125 -2.887 -2.007 1.00 0.00 H new ATOM 0 HB2 GLN A 109 34.491 -1.334 0.550 1.00 0.00 H new ATOM 0 HB3 GLN A 109 33.366 -2.678 0.583 1.00 0.00 H new ATOM 0 HG2 GLN A 109 35.661 -3.438 1.192 1.00 0.00 H new ATOM 0 HG3 GLN A 109 35.124 -4.215 -0.284 1.00 0.00 H new ATOM 0 HE21 GLN A 109 37.533 -2.181 1.058 1.00 0.00 H new ATOM 0 HE22 GLN A 109 38.361 -1.826 -0.461 1.00 0.00 H new ATOM 1250 N ARG A 110 31.964 -0.498 -1.364 1.00 0.00 N ATOM 1251 CA ARG A 110 30.558 -0.131 -1.479 1.00 0.00 C ATOM 1252 C ARG A 110 30.168 0.034 -2.947 1.00 0.00 C ATOM 1253 O ARG A 110 28.992 0.205 -3.272 1.00 0.00 O ATOM 1254 CB ARG A 110 30.295 1.169 -0.705 1.00 0.00 C ATOM 1255 CG ARG A 110 31.082 2.318 -1.340 1.00 0.00 C ATOM 1256 CD ARG A 110 30.817 3.601 -0.556 1.00 0.00 C ATOM 1257 NE ARG A 110 31.499 4.720 -1.191 1.00 0.00 N ATOM 1258 CZ ARG A 110 31.392 5.950 -0.709 1.00 0.00 C ATOM 1259 NH1 ARG A 110 30.667 6.171 0.353 1.00 0.00 N ATOM 1260 NH2 ARG A 110 32.009 6.938 -1.296 1.00 0.00 N1+ ATOM 0 H ARG A 110 32.586 0.274 -1.123 1.00 0.00 H new ATOM 0 HA ARG A 110 29.949 -0.927 -1.051 1.00 0.00 H new ATOM 0 HB2 ARG A 110 29.229 1.398 -0.712 1.00 0.00 H new ATOM 0 HB3 ARG A 110 30.588 1.048 0.338 1.00 0.00 H new ATOM 0 HG2 ARG A 110 32.148 2.090 -1.338 1.00 0.00 H new ATOM 0 HG3 ARG A 110 30.786 2.446 -2.381 1.00 0.00 H new ATOM 0 HD2 ARG A 110 29.745 3.795 -0.511 1.00 0.00 H new ATOM 0 HD3 ARG A 110 31.164 3.488 0.471 1.00 0.00 H new ATOM 0 HE ARG A 110 32.069 4.554 -2.021 1.00 0.00 H new ATOM 0 HH11 ARG A 110 30.184 5.398 0.811 1.00 0.00 H new ATOM 0 HH12 ARG A 110 30.583 7.117 0.726 1.00 0.00 H new ATOM 0 HH21 ARG A 110 32.575 6.764 -2.127 1.00 0.00 H new ATOM 0 HH22 ARG A 110 31.926 7.884 -0.924 1.00 0.00 H new ATOM 1274 N HIS A 111 31.168 -0.003 -3.832 1.00 0.00 N ATOM 1275 CA HIS A 111 30.927 0.156 -5.267 1.00 0.00 C ATOM 1276 C HIS A 111 30.768 -1.197 -5.960 1.00 0.00 C ATOM 1277 O HIS A 111 29.870 -1.380 -6.782 1.00 0.00 O ATOM 1278 CB HIS A 111 32.092 0.915 -5.902 1.00 0.00 C ATOM 1279 CG HIS A 111 31.849 1.059 -7.378 1.00 0.00 C ATOM 1280 ND1 HIS A 111 30.910 1.941 -7.889 1.00 0.00 N ATOM 1281 CD2 HIS A 111 32.412 0.439 -8.466 1.00 0.00 C ATOM 1282 CE1 HIS A 111 30.935 1.827 -9.230 1.00 0.00 C ATOM 1283 NE2 HIS A 111 31.834 0.925 -9.633 1.00 0.00 N ATOM 0 H HIS A 111 32.147 -0.141 -3.581 1.00 0.00 H new ATOM 0 HA HIS A 111 30.000 0.716 -5.393 1.00 0.00 H new ATOM 0 HB2 HIS A 111 32.194 1.898 -5.442 1.00 0.00 H new ATOM 0 HB3 HIS A 111 33.026 0.382 -5.726 1.00 0.00 H new ATOM 0 HD2 HIS A 111 33.187 -0.312 -8.422 1.00 0.00 H new ATOM 0 HE1 HIS A 111 30.305 2.395 -9.898 1.00 0.00 H new ATOM 0 HE2 HIS A 111 32.050 0.651 -10.592 1.00 0.00 H new ATOM 1291 N VAL A 112 31.648 -2.137 -5.635 1.00 0.00 N ATOM 1292 CA VAL A 112 31.594 -3.461 -6.244 1.00 0.00 C ATOM 1293 C VAL A 112 30.202 -4.059 -6.092 1.00 0.00 C ATOM 1294 O VAL A 112 29.319 -3.455 -5.484 1.00 0.00 O ATOM 1295 CB VAL A 112 32.625 -4.382 -5.588 1.00 0.00 C ATOM 1296 CG1 VAL A 112 34.030 -3.861 -5.884 1.00 0.00 C ATOM 1297 CG2 VAL A 112 32.416 -4.387 -4.080 1.00 0.00 C ATOM 0 H VAL A 112 32.401 -2.009 -4.959 1.00 0.00 H new ATOM 0 HA VAL A 112 31.822 -3.364 -7.305 1.00 0.00 H new ATOM 0 HB VAL A 112 32.508 -5.391 -5.983 1.00 0.00 H new ATOM 0 HG11 VAL A 112 34.766 -4.515 -5.418 1.00 0.00 H new ATOM 0 HG12 VAL A 112 34.192 -3.843 -6.962 1.00 0.00 H new ATOM 0 HG13 VAL A 112 34.136 -2.853 -5.484 1.00 0.00 H new ATOM 0 HG21 VAL A 112 33.151 -5.043 -3.613 1.00 0.00 H new ATOM 0 HG22 VAL A 112 32.535 -3.375 -3.693 1.00 0.00 H new ATOM 0 HG23 VAL A 112 31.412 -4.746 -3.853 1.00 0.00 H new ATOM 1307 N LEU A 113 30.012 -5.247 -6.655 1.00 0.00 N ATOM 1308 CA LEU A 113 28.719 -5.922 -6.584 1.00 0.00 C ATOM 1309 C LEU A 113 28.619 -6.768 -5.322 1.00 0.00 C ATOM 1310 O LEU A 113 27.528 -7.184 -4.927 1.00 0.00 O ATOM 1311 CB LEU A 113 28.540 -6.814 -7.811 1.00 0.00 C ATOM 1312 CG LEU A 113 28.725 -5.986 -9.085 1.00 0.00 C ATOM 1313 CD1 LEU A 113 28.572 -6.897 -10.306 1.00 0.00 C ATOM 1314 CD2 LEU A 113 27.681 -4.854 -9.140 1.00 0.00 C ATOM 0 H LEU A 113 30.732 -5.761 -7.163 1.00 0.00 H new ATOM 0 HA LEU A 113 27.935 -5.166 -6.558 1.00 0.00 H new ATOM 0 HB2 LEU A 113 29.263 -7.629 -7.788 1.00 0.00 H new ATOM 0 HB3 LEU A 113 27.549 -7.267 -7.801 1.00 0.00 H new ATOM 0 HG LEU A 113 29.720 -5.541 -9.084 1.00 0.00 H new ATOM 0 HD11 LEU A 113 28.703 -6.311 -11.216 1.00 0.00 H new ATOM 0 HD12 LEU A 113 29.325 -7.684 -10.269 1.00 0.00 H new ATOM 0 HD13 LEU A 113 27.579 -7.345 -10.303 1.00 0.00 H new ATOM 0 HD21 LEU A 113 27.823 -4.272 -10.051 1.00 0.00 H new ATOM 0 HD22 LEU A 113 26.679 -5.283 -9.136 1.00 0.00 H new ATOM 0 HD23 LEU A 113 27.802 -4.205 -8.272 1.00 0.00 H new ATOM 1326 N ASP A 114 29.760 -7.026 -4.686 1.00 0.00 N ATOM 1327 CA ASP A 114 29.789 -7.831 -3.465 1.00 0.00 C ATOM 1328 C ASP A 114 30.661 -7.156 -2.413 1.00 0.00 C ATOM 1329 O ASP A 114 31.806 -7.554 -2.194 1.00 0.00 O ATOM 1330 CB ASP A 114 30.346 -9.222 -3.771 1.00 0.00 C ATOM 1331 CG ASP A 114 29.426 -9.938 -4.751 1.00 0.00 C ATOM 1332 OD1 ASP A 114 28.511 -10.604 -4.296 1.00 0.00 O1- ATOM 1333 OD2 ASP A 114 29.647 -9.805 -5.943 1.00 0.00 O ATOM 0 H ASP A 114 30.673 -6.691 -4.994 1.00 0.00 H new ATOM 0 HA ASP A 114 28.772 -7.924 -3.083 1.00 0.00 H new ATOM 0 HB2 ASP A 114 31.348 -9.139 -4.192 1.00 0.00 H new ATOM 0 HB3 ASP A 114 30.434 -9.800 -2.851 1.00 0.00 H new ATOM 1338 N PRO A 115 30.143 -6.145 -1.768 1.00 0.00 N ATOM 1339 CA PRO A 115 30.885 -5.393 -0.715 1.00 0.00 C ATOM 1340 C PRO A 115 31.359 -6.296 0.426 1.00 0.00 C ATOM 1341 O PRO A 115 30.652 -7.218 0.840 1.00 0.00 O ATOM 1342 CB PRO A 115 29.857 -4.367 -0.206 1.00 0.00 C ATOM 1343 CG PRO A 115 28.855 -4.230 -1.305 1.00 0.00 C ATOM 1344 CD PRO A 115 28.791 -5.598 -1.980 1.00 0.00 C ATOM 0 HA PRO A 115 31.794 -4.939 -1.109 1.00 0.00 H new ATOM 0 HB2 PRO A 115 29.385 -4.708 0.716 1.00 0.00 H new ATOM 0 HB3 PRO A 115 30.332 -3.411 0.014 1.00 0.00 H new ATOM 0 HG2 PRO A 115 27.880 -3.942 -0.912 1.00 0.00 H new ATOM 0 HG3 PRO A 115 29.154 -3.458 -2.013 1.00 0.00 H new ATOM 0 HD2 PRO A 115 28.026 -6.232 -1.532 1.00 0.00 H new ATOM 0 HD3 PRO A 115 28.553 -5.513 -3.040 1.00 0.00 H new ATOM 1352 N ARG A 116 32.566 -6.021 0.917 1.00 0.00 N ATOM 1353 CA ARG A 116 33.143 -6.812 2.006 1.00 0.00 C ATOM 1354 C ARG A 116 33.785 -5.910 3.056 1.00 0.00 C ATOM 1355 O ARG A 116 34.547 -4.997 2.728 1.00 0.00 O ATOM 1356 CB ARG A 116 34.199 -7.763 1.447 1.00 0.00 C ATOM 1357 CG ARG A 116 33.655 -8.456 0.197 1.00 0.00 C ATOM 1358 CD ARG A 116 34.665 -9.493 -0.296 1.00 0.00 C ATOM 1359 NE ARG A 116 34.203 -10.092 -1.545 1.00 0.00 N ATOM 1360 CZ ARG A 116 33.380 -11.140 -1.550 1.00 0.00 C ATOM 1361 NH1 ARG A 116 32.964 -11.653 -0.425 1.00 0.00 N ATOM 1362 NH2 ARG A 116 32.988 -11.653 -2.685 1.00 0.00 N1+ ATOM 0 H ARG A 116 33.161 -5.263 0.582 1.00 0.00 H new ATOM 0 HA ARG A 116 32.341 -7.380 2.477 1.00 0.00 H new ATOM 0 HB2 ARG A 116 35.107 -7.212 1.203 1.00 0.00 H new ATOM 0 HB3 ARG A 116 34.469 -8.505 2.198 1.00 0.00 H new ATOM 0 HG2 ARG A 116 32.704 -8.938 0.421 1.00 0.00 H new ATOM 0 HG3 ARG A 116 33.463 -7.721 -0.584 1.00 0.00 H new ATOM 0 HD2 ARG A 116 35.636 -9.022 -0.447 1.00 0.00 H new ATOM 0 HD3 ARG A 116 34.800 -10.267 0.459 1.00 0.00 H new ATOM 0 HE ARG A 116 34.517 -9.700 -2.433 1.00 0.00 H new ATOM 0 HH11 ARG A 116 33.269 -11.252 0.462 1.00 0.00 H new ATOM 0 HH12 ARG A 116 32.334 -12.455 -0.432 1.00 0.00 H new ATOM 0 HH21 ARG A 116 33.312 -11.252 -3.565 1.00 0.00 H new ATOM 0 HH22 ARG A 116 32.358 -12.455 -2.692 1.00 0.00 H new ATOM 1376 N CYS A 117 33.474 -6.182 4.321 1.00 0.00 N ATOM 1377 CA CYS A 117 34.024 -5.402 5.426 1.00 0.00 C ATOM 1378 C CYS A 117 35.549 -5.503 5.446 1.00 0.00 C ATOM 1379 O CYS A 117 36.121 -6.506 5.023 1.00 0.00 O ATOM 1380 CB CYS A 117 33.464 -5.903 6.773 1.00 0.00 C ATOM 1381 SG CYS A 117 31.857 -6.682 6.515 1.00 0.00 S ATOM 0 H CYS A 117 32.846 -6.934 4.606 1.00 0.00 H new ATOM 0 HA CYS A 117 33.734 -4.361 5.280 1.00 0.00 H new ATOM 0 HB2 CYS A 117 34.156 -6.615 7.222 1.00 0.00 H new ATOM 0 HB3 CYS A 117 33.367 -5.070 7.469 1.00 0.00 H new ATOM 0 HG CYS A 117 31.000 -5.788 6.121 1.00 0.00 H new ATOM 1386 N GLN A 118 36.192 -4.454 5.944 1.00 0.00 N ATOM 1387 CA GLN A 118 37.647 -4.435 6.017 1.00 0.00 C ATOM 1388 C GLN A 118 38.153 -5.656 6.792 1.00 0.00 C ATOM 1389 O GLN A 118 39.354 -5.929 6.815 1.00 0.00 O ATOM 1390 CB GLN A 118 38.127 -3.130 6.688 1.00 0.00 C ATOM 1391 CG GLN A 118 38.358 -2.050 5.622 1.00 0.00 C ATOM 1392 CD GLN A 118 37.111 -1.910 4.760 1.00 0.00 C ATOM 1393 OE1 GLN A 118 36.011 -1.765 5.286 1.00 0.00 O ATOM 1394 NE2 GLN A 118 37.214 -1.959 3.463 1.00 0.00 N ATOM 0 H GLN A 118 35.735 -3.614 6.300 1.00 0.00 H new ATOM 0 HA GLN A 118 38.053 -4.475 5.006 1.00 0.00 H new ATOM 0 HB2 GLN A 118 37.386 -2.788 7.410 1.00 0.00 H new ATOM 0 HB3 GLN A 118 39.049 -3.312 7.240 1.00 0.00 H new ATOM 0 HG2 GLN A 118 38.592 -1.098 6.099 1.00 0.00 H new ATOM 0 HG3 GLN A 118 39.214 -2.314 5.001 1.00 0.00 H new ATOM 0 HE21 GLN A 118 38.129 -2.079 3.028 1.00 0.00 H new ATOM 0 HE22 GLN A 118 36.380 -1.877 2.882 1.00 0.00 H new ATOM 1403 N ILE A 119 37.236 -6.380 7.428 1.00 0.00 N ATOM 1404 CA ILE A 119 37.607 -7.559 8.208 1.00 0.00 C ATOM 1405 C ILE A 119 37.648 -8.831 7.351 1.00 0.00 C ATOM 1406 O ILE A 119 38.566 -9.642 7.479 1.00 0.00 O ATOM 1407 CB ILE A 119 36.595 -7.753 9.329 1.00 0.00 C ATOM 1408 CG1 ILE A 119 36.341 -6.411 10.029 1.00 0.00 C ATOM 1409 CG2 ILE A 119 37.137 -8.767 10.337 1.00 0.00 C ATOM 1410 CD1 ILE A 119 37.668 -5.764 10.444 1.00 0.00 C ATOM 0 H ILE A 119 36.237 -6.174 7.420 1.00 0.00 H new ATOM 0 HA ILE A 119 38.607 -7.391 8.607 1.00 0.00 H new ATOM 0 HB ILE A 119 35.658 -8.125 8.913 1.00 0.00 H new ATOM 0 HG12 ILE A 119 35.797 -5.743 9.362 1.00 0.00 H new ATOM 0 HG13 ILE A 119 35.714 -6.565 10.907 1.00 0.00 H new ATOM 0 HG21 ILE A 119 36.412 -8.906 11.139 1.00 0.00 H new ATOM 0 HG22 ILE A 119 37.311 -9.720 9.837 1.00 0.00 H new ATOM 0 HG23 ILE A 119 38.074 -8.400 10.754 1.00 0.00 H new ATOM 0 HD11 ILE A 119 37.470 -4.813 10.939 1.00 0.00 H new ATOM 0 HD12 ILE A 119 38.197 -6.426 11.129 1.00 0.00 H new ATOM 0 HD13 ILE A 119 38.281 -5.592 9.559 1.00 0.00 H new ATOM 1422 N CYS A 120 36.649 -9.004 6.486 1.00 0.00 N ATOM 1423 CA CYS A 120 36.579 -10.189 5.625 1.00 0.00 C ATOM 1424 C CYS A 120 37.660 -10.144 4.542 1.00 0.00 C ATOM 1425 O CYS A 120 38.149 -11.183 4.099 1.00 0.00 O ATOM 1426 CB CYS A 120 35.180 -10.288 4.978 1.00 0.00 C ATOM 1427 SG CYS A 120 34.458 -8.640 4.873 1.00 0.00 S ATOM 0 H CYS A 120 35.881 -8.345 6.362 1.00 0.00 H new ATOM 0 HA CYS A 120 36.752 -11.072 6.240 1.00 0.00 H new ATOM 0 HB2 CYS A 120 35.256 -10.729 3.984 1.00 0.00 H new ATOM 0 HB3 CYS A 120 34.539 -10.942 5.568 1.00 0.00 H new ATOM 0 HG CYS A 120 35.390 -7.774 4.603 1.00 0.00 H new ATOM 1432 N VAL A 121 38.025 -8.939 4.122 1.00 0.00 N ATOM 1433 CA VAL A 121 39.046 -8.786 3.089 1.00 0.00 C ATOM 1434 C VAL A 121 40.427 -9.154 3.631 1.00 0.00 C ATOM 1435 O VAL A 121 41.244 -9.748 2.926 1.00 0.00 O ATOM 1436 CB VAL A 121 39.065 -7.347 2.568 1.00 0.00 C ATOM 1437 CG1 VAL A 121 37.655 -6.931 2.134 1.00 0.00 C ATOM 1438 CG2 VAL A 121 39.553 -6.412 3.672 1.00 0.00 C ATOM 0 H VAL A 121 37.637 -8.064 4.474 1.00 0.00 H new ATOM 0 HA VAL A 121 38.800 -9.461 2.270 1.00 0.00 H new ATOM 0 HB VAL A 121 39.737 -7.285 1.712 1.00 0.00 H new ATOM 0 HG11 VAL A 121 37.676 -5.906 1.764 1.00 0.00 H new ATOM 0 HG12 VAL A 121 37.307 -7.595 1.343 1.00 0.00 H new ATOM 0 HG13 VAL A 121 36.978 -6.996 2.986 1.00 0.00 H new ATOM 0 HG21 VAL A 121 39.567 -5.387 3.301 1.00 0.00 H new ATOM 0 HG22 VAL A 121 38.882 -6.479 4.529 1.00 0.00 H new ATOM 0 HG23 VAL A 121 40.559 -6.701 3.976 1.00 0.00 H new ATOM 1448 N HIS A 122 40.683 -8.788 4.884 1.00 0.00 N ATOM 1449 CA HIS A 122 41.970 -9.072 5.513 1.00 0.00 C ATOM 1450 C HIS A 122 41.976 -10.471 6.123 1.00 0.00 C ATOM 1451 O HIS A 122 42.987 -10.916 6.669 1.00 0.00 O ATOM 1452 CB HIS A 122 42.249 -8.041 6.608 1.00 0.00 C ATOM 1453 CG HIS A 122 42.424 -6.684 5.985 1.00 0.00 C ATOM 1454 ND1 HIS A 122 41.746 -5.567 6.446 1.00 0.00 N ATOM 1455 CD2 HIS A 122 43.195 -6.249 4.935 1.00 0.00 C ATOM 1456 CE1 HIS A 122 42.117 -4.523 5.683 1.00 0.00 C ATOM 1457 NE2 HIS A 122 42.998 -4.884 4.746 1.00 0.00 N ATOM 0 H HIS A 122 40.019 -8.296 5.482 1.00 0.00 H new ATOM 0 HA HIS A 122 42.745 -9.018 4.749 1.00 0.00 H new ATOM 0 HB2 HIS A 122 41.426 -8.022 7.322 1.00 0.00 H new ATOM 0 HB3 HIS A 122 43.146 -8.317 7.162 1.00 0.00 H new ATOM 0 HD1 HIS A 122 41.086 -5.541 7.223 1.00 0.00 H new ATOM 0 HD2 HIS A 122 43.853 -6.871 4.346 1.00 0.00 H new ATOM 0 HE1 HIS A 122 41.748 -3.516 5.812 1.00 0.00 H new