USER MOD reduce.3.24.130724 H: found=0, std=0, add=971, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 973 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -0.734 K(o=-0.73,f=-3.3!) USER MOD Single : A 13 ASN : amide:sc= -4.68! C(o=-4.7!,f=-12!) USER MOD Single : A 15 ASN : amide:sc= -0.589 X(o=-0.59,f=-0.88) USER MOD Single : A 16 ASN : amide:sc= -2.79! C(o=-2.8!,f=-3.5!) USER MOD Single : A 21 THR OG1 : rot 0:sc= 1! USER MOD Single : A 31 ASN : amide:sc= -1.26 X(o=-1.3,f=-1.6!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 140:sc= -1.18 (180deg=-3.06!) USER MOD Single : A 42 MET CE :methyl -158:sc= -0.269 (180deg=-0.975) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -0.203 X(o=-0.2,f=0) USER MOD Single : A 55 GLN :FLIP amide:sc= 0 F(o=-0.64,f=0) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0.0181 USER MOD Single : A 63 GLN :FLIP amide:sc= 0 F(o=-1.2,f=0) USER MOD Single : A 64 HIS : no HE2:sc= -18! C(o=-18!,f=-25!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 TYR OH : rot 180:sc= -1.51! USER MOD Single : A 79 HIS : no HD1:sc= -3.15 X(o=-3.1,f=-3.1!) USER MOD Single : A 81 THR OG1 : rot -150:sc= -0.612 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 GLN : amide:sc= -1.44 K(o=-1.4,f=-2.5) USER MOD Single : A 105 MET CE :methyl 158:sc= -0.95 (180deg=-1.41) USER MOD Single : A 106 SER OG : rot -9:sc= -2.19! USER MOD Single : A 111 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 119 ASN : amide:sc= -5.01! C(o=-5!,f=-4.9!) USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 20 N LYS A 2 -21.845 -5.595 -3.337 1.00 0.00 N ATOM 21 CA LYS A 2 -20.725 -4.791 -3.813 1.00 0.00 C ATOM 22 C LYS A 2 -19.399 -5.356 -3.313 1.00 0.00 C ATOM 23 O LYS A 2 -19.253 -5.671 -2.131 1.00 0.00 O ATOM 24 CB LYS A 2 -20.884 -3.338 -3.358 1.00 0.00 C ATOM 25 CG LYS A 2 -20.844 -2.335 -4.500 1.00 0.00 C ATOM 26 CD LYS A 2 -19.487 -1.656 -4.599 1.00 0.00 C ATOM 27 CE LYS A 2 -19.395 -0.774 -5.835 1.00 0.00 C ATOM 28 NZ LYS A 2 -18.637 -1.435 -6.933 1.00 0.00 N ATOM 0 HA LYS A 2 -20.722 -4.823 -4.903 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -21.830 -3.234 -2.827 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -20.092 -3.100 -2.648 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -21.068 -2.842 -5.439 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -21.618 -1.582 -4.352 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -19.314 -1.054 -3.707 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -18.702 -2.412 -4.630 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -20.399 -0.530 -6.183 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -18.910 0.167 -5.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -18.597 -0.802 -7.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -17.671 -1.645 -6.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -19.113 -2.320 -7.200 1.00 0.00 H new ATOM 42 N LYS A 3 -18.435 -5.482 -4.219 1.00 0.00 N ATOM 43 CA LYS A 3 -17.121 -6.009 -3.872 1.00 0.00 C ATOM 44 C LYS A 3 -16.016 -5.176 -4.516 1.00 0.00 C ATOM 45 O LYS A 3 -16.107 -4.801 -5.684 1.00 0.00 O ATOM 46 CB LYS A 3 -17.005 -7.471 -4.311 1.00 0.00 C ATOM 47 CG LYS A 3 -15.624 -8.072 -4.097 1.00 0.00 C ATOM 48 CD LYS A 3 -15.463 -9.381 -4.854 1.00 0.00 C ATOM 49 CE LYS A 3 -16.479 -10.418 -4.400 1.00 0.00 C ATOM 50 NZ LYS A 3 -15.849 -11.746 -4.166 1.00 0.00 N ATOM 0 H LYS A 3 -18.540 -5.226 -5.201 1.00 0.00 H new ATOM 0 HA LYS A 3 -17.005 -5.954 -2.790 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -17.737 -8.064 -3.763 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -17.262 -7.544 -5.368 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -14.863 -7.364 -4.426 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -15.461 -8.243 -3.033 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -15.579 -9.201 -5.923 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -14.455 -9.768 -4.703 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -16.960 -10.078 -3.483 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -17.261 -10.515 -5.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -16.574 -12.425 -3.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -15.412 -12.083 -5.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -15.120 -11.660 -3.429 1.00 0.00 H new ATOM 64 N LEU A 4 -14.974 -4.889 -3.743 1.00 0.00 N ATOM 65 CA LEU A 4 -13.851 -4.099 -4.233 1.00 0.00 C ATOM 66 C LEU A 4 -12.545 -4.570 -3.601 1.00 0.00 C ATOM 67 O LEU A 4 -12.492 -4.858 -2.406 1.00 0.00 O ATOM 68 CB LEU A 4 -14.080 -2.617 -3.931 1.00 0.00 C ATOM 69 CG LEU A 4 -14.352 -2.291 -2.461 1.00 0.00 C ATOM 70 CD1 LEU A 4 -13.063 -1.905 -1.754 1.00 0.00 C ATOM 71 CD2 LEU A 4 -15.380 -1.176 -2.345 1.00 0.00 C ATOM 0 H LEU A 4 -14.884 -5.192 -2.773 1.00 0.00 H new ATOM 0 HA LEU A 4 -13.778 -4.234 -5.312 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -13.204 -2.056 -4.256 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -14.922 -2.266 -4.527 1.00 0.00 H new ATOM 0 HG LEU A 4 -14.755 -3.182 -1.978 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -13.275 -1.676 -0.710 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -12.356 -2.733 -1.808 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -12.632 -1.028 -2.237 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -15.562 -0.957 -1.293 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -15.005 -0.282 -2.842 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -16.311 -1.489 -2.816 1.00 0.00 H new ATOM 83 N GLN A 5 -11.493 -4.659 -4.410 1.00 0.00 N ATOM 84 CA GLN A 5 -10.193 -5.109 -3.922 1.00 0.00 C ATOM 85 C GLN A 5 -9.182 -3.970 -3.872 1.00 0.00 C ATOM 86 O GLN A 5 -9.208 -3.055 -4.694 1.00 0.00 O ATOM 87 CB GLN A 5 -9.650 -6.235 -4.802 1.00 0.00 C ATOM 88 CG GLN A 5 -10.733 -7.102 -5.412 1.00 0.00 C ATOM 89 CD GLN A 5 -10.194 -8.083 -6.434 1.00 0.00 C ATOM 90 OE1 GLN A 5 -9.911 -7.716 -7.575 1.00 0.00 O ATOM 91 NE2 GLN A 5 -10.049 -9.339 -6.030 1.00 0.00 N ATOM 0 H GLN A 5 -11.515 -4.426 -5.403 1.00 0.00 H new ATOM 0 HA GLN A 5 -10.341 -5.478 -2.907 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -9.049 -5.802 -5.602 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -8.986 -6.862 -4.207 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -11.241 -7.652 -4.620 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -11.479 -6.464 -5.886 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -10.296 -9.599 -5.075 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -9.691 -10.044 -6.674 1.00 0.00 H new ATOM 100 N ILE A 6 -8.285 -4.052 -2.899 1.00 0.00 N ATOM 101 CA ILE A 6 -7.239 -3.057 -2.711 1.00 0.00 C ATOM 102 C ILE A 6 -5.911 -3.746 -2.407 1.00 0.00 C ATOM 103 O ILE A 6 -5.834 -4.589 -1.513 1.00 0.00 O ATOM 104 CB ILE A 6 -7.571 -2.071 -1.565 1.00 0.00 C ATOM 105 CG1 ILE A 6 -8.994 -2.293 -1.035 1.00 0.00 C ATOM 106 CG2 ILE A 6 -7.401 -0.641 -2.045 1.00 0.00 C ATOM 107 CD1 ILE A 6 -10.078 -1.852 -1.995 1.00 0.00 C ATOM 0 H ILE A 6 -8.262 -4.811 -2.218 1.00 0.00 H new ATOM 0 HA ILE A 6 -7.167 -2.488 -3.638 1.00 0.00 H new ATOM 0 HB ILE A 6 -6.878 -2.256 -0.744 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -9.128 -3.351 -0.812 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -9.111 -1.752 -0.096 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -7.637 0.046 -1.232 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -6.371 -0.485 -2.365 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -8.073 -0.456 -2.883 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -11.056 -2.040 -1.551 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -9.971 -0.787 -2.200 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -9.989 -2.411 -2.926 1.00 0.00 H new ATOM 119 N ALA A 7 -4.868 -3.387 -3.149 1.00 0.00 N ATOM 120 CA ALA A 7 -3.553 -3.983 -2.941 1.00 0.00 C ATOM 121 C ALA A 7 -2.515 -2.908 -2.704 1.00 0.00 C ATOM 122 O ALA A 7 -2.357 -2.017 -3.525 1.00 0.00 O ATOM 123 CB ALA A 7 -3.158 -4.833 -4.138 1.00 0.00 C ATOM 0 H ALA A 7 -4.907 -2.692 -3.894 1.00 0.00 H new ATOM 0 HA ALA A 7 -3.604 -4.622 -2.059 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -2.174 -5.270 -3.965 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -3.889 -5.629 -4.276 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -3.127 -4.210 -5.032 1.00 0.00 H new ATOM 129 N VAL A 8 -1.799 -3.000 -1.595 1.00 0.00 N ATOM 130 CA VAL A 8 -0.773 -2.018 -1.277 1.00 0.00 C ATOM 131 C VAL A 8 0.574 -2.688 -1.052 1.00 0.00 C ATOM 132 O VAL A 8 0.652 -3.895 -0.822 1.00 0.00 O ATOM 133 CB VAL A 8 -1.151 -1.164 -0.037 1.00 0.00 C ATOM 134 CG1 VAL A 8 -2.603 -1.391 0.367 1.00 0.00 C ATOM 135 CG2 VAL A 8 -0.220 -1.448 1.137 1.00 0.00 C ATOM 0 H VAL A 8 -1.908 -3.741 -0.902 1.00 0.00 H new ATOM 0 HA VAL A 8 -0.699 -1.351 -2.136 1.00 0.00 H new ATOM 0 HB VAL A 8 -1.034 -0.117 -0.316 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -2.838 -0.780 1.238 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -3.258 -1.113 -0.459 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -2.753 -2.443 0.611 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -0.511 -0.834 1.989 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -0.288 -2.501 1.408 1.00 0.00 H new ATOM 0 HG23 VAL A 8 0.806 -1.212 0.853 1.00 0.00 H new ATOM 145 N GLY A 9 1.633 -1.893 -1.117 1.00 0.00 N ATOM 146 CA GLY A 9 2.963 -2.420 -0.917 1.00 0.00 C ATOM 147 C GLY A 9 3.915 -1.397 -0.335 1.00 0.00 C ATOM 148 O GLY A 9 4.219 -0.388 -0.969 1.00 0.00 O ATOM 0 H GLY A 9 1.592 -0.891 -1.305 1.00 0.00 H new ATOM 0 HA2 GLY A 9 2.912 -3.282 -0.252 1.00 0.00 H new ATOM 0 HA3 GLY A 9 3.356 -2.775 -1.870 1.00 0.00 H new ATOM 152 N ILE A 10 4.396 -1.668 0.871 1.00 0.00 N ATOM 153 CA ILE A 10 5.336 -0.777 1.538 1.00 0.00 C ATOM 154 C ILE A 10 6.683 -0.846 0.827 1.00 0.00 C ATOM 155 O ILE A 10 7.406 -1.833 0.952 1.00 0.00 O ATOM 156 CB ILE A 10 5.500 -1.174 3.023 1.00 0.00 C ATOM 157 CG1 ILE A 10 4.137 -1.484 3.645 1.00 0.00 C ATOM 158 CG2 ILE A 10 6.193 -0.074 3.806 1.00 0.00 C ATOM 159 CD1 ILE A 10 3.833 -2.963 3.735 1.00 0.00 C ATOM 0 H ILE A 10 4.150 -2.499 1.408 1.00 0.00 H new ATOM 0 HA ILE A 10 4.952 0.242 1.497 1.00 0.00 H new ATOM 0 HB ILE A 10 6.121 -2.069 3.067 1.00 0.00 H new ATOM 0 HG12 ILE A 10 4.097 -1.052 4.645 1.00 0.00 H new ATOM 0 HG13 ILE A 10 3.359 -0.997 3.056 1.00 0.00 H new ATOM 0 HG21 ILE A 10 6.296 -0.378 4.848 1.00 0.00 H new ATOM 0 HG22 ILE A 10 7.180 0.108 3.382 1.00 0.00 H new ATOM 0 HG23 ILE A 10 5.601 0.840 3.752 1.00 0.00 H new ATOM 0 HD11 ILE A 10 2.851 -3.106 4.186 1.00 0.00 H new ATOM 0 HD12 ILE A 10 3.840 -3.397 2.735 1.00 0.00 H new ATOM 0 HD13 ILE A 10 4.589 -3.453 4.349 1.00 0.00 H new ATOM 171 N ILE A 11 6.998 0.189 0.046 1.00 0.00 N ATOM 172 CA ILE A 11 8.241 0.219 -0.726 1.00 0.00 C ATOM 173 C ILE A 11 9.467 0.401 0.159 1.00 0.00 C ATOM 174 O ILE A 11 9.595 1.392 0.873 1.00 0.00 O ATOM 175 CB ILE A 11 8.238 1.331 -1.795 1.00 0.00 C ATOM 176 CG1 ILE A 11 6.821 1.571 -2.332 1.00 0.00 C ATOM 177 CG2 ILE A 11 9.184 0.958 -2.927 1.00 0.00 C ATOM 178 CD1 ILE A 11 6.792 2.227 -3.696 1.00 0.00 C ATOM 0 H ILE A 11 6.411 1.015 -0.068 1.00 0.00 H new ATOM 0 HA ILE A 11 8.296 -0.752 -1.218 1.00 0.00 H new ATOM 0 HB ILE A 11 8.581 2.258 -1.336 1.00 0.00 H new ATOM 0 HG12 ILE A 11 6.296 0.617 -2.386 1.00 0.00 H new ATOM 0 HG13 ILE A 11 6.275 2.196 -1.626 1.00 0.00 H new ATOM 0 HG21 ILE A 11 9.179 1.746 -3.680 1.00 0.00 H new ATOM 0 HG22 ILE A 11 10.193 0.839 -2.533 1.00 0.00 H new ATOM 0 HG23 ILE A 11 8.858 0.022 -3.380 1.00 0.00 H new ATOM 0 HD11 ILE A 11 5.758 2.365 -4.011 1.00 0.00 H new ATOM 0 HD12 ILE A 11 7.288 3.196 -3.644 1.00 0.00 H new ATOM 0 HD13 ILE A 11 7.309 1.593 -4.416 1.00 0.00 H new ATOM 190 N ARG A 12 10.371 -0.571 0.096 1.00 0.00 N ATOM 191 CA ARG A 12 11.594 -0.534 0.888 1.00 0.00 C ATOM 192 C ARG A 12 12.665 0.317 0.223 1.00 0.00 C ATOM 193 O ARG A 12 13.101 0.033 -0.897 1.00 0.00 O ATOM 194 CB ARG A 12 12.128 -1.947 1.118 1.00 0.00 C ATOM 195 CG ARG A 12 11.953 -2.429 2.548 1.00 0.00 C ATOM 196 CD ARG A 12 13.291 -2.667 3.229 1.00 0.00 C ATOM 197 NE ARG A 12 13.643 -4.084 3.264 1.00 0.00 N ATOM 198 CZ ARG A 12 13.091 -4.964 4.097 1.00 0.00 C ATOM 199 NH1 ARG A 12 12.162 -4.577 4.962 1.00 0.00 N ATOM 200 NH2 ARG A 12 13.468 -6.235 4.064 1.00 0.00 N ATOM 0 H ARG A 12 10.279 -1.396 -0.497 1.00 0.00 H new ATOM 0 HA ARG A 12 11.346 -0.082 1.848 1.00 0.00 H new ATOM 0 HB2 ARG A 12 11.617 -2.635 0.445 1.00 0.00 H new ATOM 0 HB3 ARG A 12 13.186 -1.975 0.859 1.00 0.00 H new ATOM 0 HG2 ARG A 12 11.383 -1.692 3.113 1.00 0.00 H new ATOM 0 HG3 ARG A 12 11.373 -3.352 2.553 1.00 0.00 H new ATOM 0 HD2 ARG A 12 14.069 -2.113 2.703 1.00 0.00 H new ATOM 0 HD3 ARG A 12 13.254 -2.277 4.246 1.00 0.00 H new ATOM 0 HE ARG A 12 14.353 -4.419 2.613 1.00 0.00 H new ATOM 0 HH11 ARG A 12 11.867 -3.601 4.991 1.00 0.00 H new ATOM 0 HH12 ARG A 12 11.743 -5.256 5.598 1.00 0.00 H new ATOM 0 HH21 ARG A 12 14.181 -6.538 3.401 1.00 0.00 H new ATOM 0 HH22 ARG A 12 13.045 -6.909 4.702 1.00 0.00 H new ATOM 214 N ASN A 13 13.077 1.360 0.939 1.00 0.00 N ATOM 215 CA ASN A 13 14.100 2.292 0.473 1.00 0.00 C ATOM 216 C ASN A 13 15.498 1.709 0.632 1.00 0.00 C ATOM 217 O ASN A 13 15.676 0.586 1.104 1.00 0.00 O ATOM 218 CB ASN A 13 13.987 3.603 1.252 1.00 0.00 C ATOM 219 CG ASN A 13 15.082 4.613 0.961 1.00 0.00 C ATOM 220 OD1 ASN A 13 16.008 4.784 1.754 1.00 0.00 O ATOM 221 ND2 ASN A 13 14.984 5.288 -0.178 1.00 0.00 N ATOM 0 H ASN A 13 12.709 1.583 1.864 1.00 0.00 H new ATOM 0 HA ASN A 13 13.937 2.478 -0.588 1.00 0.00 H new ATOM 0 HB2 ASN A 13 13.023 4.060 1.029 1.00 0.00 H new ATOM 0 HB3 ASN A 13 13.994 3.377 2.318 1.00 0.00 H new ATOM 0 HD21 ASN A 13 15.693 5.979 -0.424 1.00 0.00 H new ATOM 0 HD22 ASN A 13 14.200 5.115 -0.807 1.00 0.00 H new ATOM 228 N GLU A 14 16.478 2.497 0.229 1.00 0.00 N ATOM 229 CA GLU A 14 17.881 2.116 0.303 1.00 0.00 C ATOM 230 C GLU A 14 18.427 2.211 1.734 1.00 0.00 C ATOM 231 O GLU A 14 19.608 1.952 1.968 1.00 0.00 O ATOM 232 CB GLU A 14 18.690 3.028 -0.625 1.00 0.00 C ATOM 233 CG GLU A 14 20.197 2.856 -0.507 1.00 0.00 C ATOM 234 CD GLU A 14 20.944 3.448 -1.686 1.00 0.00 C ATOM 235 OE1 GLU A 14 20.560 3.158 -2.839 1.00 0.00 O ATOM 236 OE2 GLU A 14 21.914 4.202 -1.458 1.00 0.00 O ATOM 0 H GLU A 14 16.324 3.426 -0.162 1.00 0.00 H new ATOM 0 HA GLU A 14 17.972 1.076 -0.009 1.00 0.00 H new ATOM 0 HB2 GLU A 14 18.393 2.835 -1.656 1.00 0.00 H new ATOM 0 HB3 GLU A 14 18.436 4.066 -0.409 1.00 0.00 H new ATOM 0 HG2 GLU A 14 20.542 3.329 0.412 1.00 0.00 H new ATOM 0 HG3 GLU A 14 20.433 1.795 -0.427 1.00 0.00 H new ATOM 243 N ASN A 15 17.578 2.588 2.692 1.00 0.00 N ATOM 244 CA ASN A 15 18.013 2.714 4.080 1.00 0.00 C ATOM 245 C ASN A 15 16.955 2.188 5.049 1.00 0.00 C ATOM 246 O ASN A 15 16.556 2.882 5.985 1.00 0.00 O ATOM 247 CB ASN A 15 18.334 4.175 4.400 1.00 0.00 C ATOM 248 CG ASN A 15 18.871 4.357 5.805 1.00 0.00 C ATOM 249 OD1 ASN A 15 18.185 4.882 6.682 1.00 0.00 O ATOM 250 ND2 ASN A 15 20.106 3.920 6.028 1.00 0.00 N ATOM 0 H ASN A 15 16.595 2.809 2.533 1.00 0.00 H new ATOM 0 HA ASN A 15 18.912 2.110 4.204 1.00 0.00 H new ATOM 0 HB2 ASN A 15 19.066 4.548 3.684 1.00 0.00 H new ATOM 0 HB3 ASN A 15 17.433 4.777 4.278 1.00 0.00 H new ATOM 0 HD21 ASN A 15 20.520 4.014 6.955 1.00 0.00 H new ATOM 0 HD22 ASN A 15 20.639 3.491 5.272 1.00 0.00 H new ATOM 257 N ASN A 16 16.508 0.957 4.817 1.00 0.00 N ATOM 258 CA ASN A 16 15.498 0.320 5.666 1.00 0.00 C ATOM 259 C ASN A 16 14.338 1.267 5.973 1.00 0.00 C ATOM 260 O ASN A 16 13.665 1.131 6.994 1.00 0.00 O ATOM 261 CB ASN A 16 16.131 -0.178 6.970 1.00 0.00 C ATOM 262 CG ASN A 16 16.609 0.955 7.858 1.00 0.00 C ATOM 263 OD1 ASN A 16 17.751 1.403 7.751 1.00 0.00 O ATOM 264 ND2 ASN A 16 15.736 1.423 8.742 1.00 0.00 N ATOM 0 H ASN A 16 16.830 0.375 4.044 1.00 0.00 H new ATOM 0 HA ASN A 16 15.097 -0.531 5.115 1.00 0.00 H new ATOM 0 HB2 ASN A 16 15.404 -0.780 7.515 1.00 0.00 H new ATOM 0 HB3 ASN A 16 16.972 -0.830 6.735 1.00 0.00 H new ATOM 0 HD21 ASN A 16 16.001 2.184 9.367 1.00 0.00 H new ATOM 0 HD22 ASN A 16 14.800 1.022 8.796 1.00 0.00 H new ATOM 271 N GLU A 17 14.100 2.211 5.071 1.00 0.00 N ATOM 272 CA GLU A 17 13.013 3.169 5.223 1.00 0.00 C ATOM 273 C GLU A 17 12.027 2.987 4.078 1.00 0.00 C ATOM 274 O GLU A 17 12.368 2.390 3.066 1.00 0.00 O ATOM 275 CB GLU A 17 13.549 4.605 5.254 1.00 0.00 C ATOM 276 CG GLU A 17 14.517 4.928 4.127 1.00 0.00 C ATOM 277 CD GLU A 17 15.367 6.149 4.422 1.00 0.00 C ATOM 278 OE1 GLU A 17 15.532 6.482 5.615 1.00 0.00 O ATOM 279 OE2 GLU A 17 15.865 6.772 3.462 1.00 0.00 O ATOM 0 H GLU A 17 14.650 2.334 4.221 1.00 0.00 H new ATOM 0 HA GLU A 17 12.506 2.988 6.171 1.00 0.00 H new ATOM 0 HB2 GLU A 17 12.708 5.297 5.206 1.00 0.00 H new ATOM 0 HB3 GLU A 17 14.048 4.775 6.208 1.00 0.00 H new ATOM 0 HG2 GLU A 17 15.167 4.070 3.954 1.00 0.00 H new ATOM 0 HG3 GLU A 17 13.956 5.094 3.207 1.00 0.00 H new ATOM 286 N ILE A 18 10.803 3.468 4.233 1.00 0.00 N ATOM 287 CA ILE A 18 9.810 3.304 3.177 1.00 0.00 C ATOM 288 C ILE A 18 9.004 4.577 2.941 1.00 0.00 C ATOM 289 O ILE A 18 8.656 5.295 3.878 1.00 0.00 O ATOM 290 CB ILE A 18 8.850 2.140 3.495 1.00 0.00 C ATOM 291 CG1 ILE A 18 9.614 0.811 3.505 1.00 0.00 C ATOM 292 CG2 ILE A 18 7.700 2.095 2.493 1.00 0.00 C ATOM 293 CD1 ILE A 18 9.581 0.101 4.840 1.00 0.00 C ATOM 0 H ILE A 18 10.476 3.966 5.061 1.00 0.00 H new ATOM 0 HA ILE A 18 10.363 3.078 2.265 1.00 0.00 H new ATOM 0 HB ILE A 18 8.425 2.304 4.485 1.00 0.00 H new ATOM 0 HG12 ILE A 18 9.193 0.154 2.744 1.00 0.00 H new ATOM 0 HG13 ILE A 18 10.652 0.996 3.228 1.00 0.00 H new ATOM 0 HG21 ILE A 18 7.036 1.266 2.738 1.00 0.00 H new ATOM 0 HG22 ILE A 18 7.143 3.031 2.536 1.00 0.00 H new ATOM 0 HG23 ILE A 18 8.098 1.956 1.488 1.00 0.00 H new ATOM 0 HD11 ILE A 18 10.142 -0.831 4.770 1.00 0.00 H new ATOM 0 HD12 ILE A 18 10.029 0.738 5.602 1.00 0.00 H new ATOM 0 HD13 ILE A 18 8.548 -0.117 5.111 1.00 0.00 H new ATOM 305 N PHE A 19 8.703 4.832 1.672 1.00 0.00 N ATOM 306 CA PHE A 19 7.925 5.998 1.283 1.00 0.00 C ATOM 307 C PHE A 19 6.437 5.650 1.234 1.00 0.00 C ATOM 308 O PHE A 19 6.014 4.799 0.452 1.00 0.00 O ATOM 309 CB PHE A 19 8.413 6.523 -0.081 1.00 0.00 C ATOM 310 CG PHE A 19 7.360 6.552 -1.159 1.00 0.00 C ATOM 311 CD1 PHE A 19 7.089 5.420 -1.913 1.00 0.00 C ATOM 312 CD2 PHE A 19 6.643 7.709 -1.415 1.00 0.00 C ATOM 313 CE1 PHE A 19 6.123 5.444 -2.900 1.00 0.00 C ATOM 314 CE2 PHE A 19 5.675 7.738 -2.403 1.00 0.00 C ATOM 315 CZ PHE A 19 5.416 6.604 -3.146 1.00 0.00 C ATOM 0 H PHE A 19 8.990 4.241 0.892 1.00 0.00 H new ATOM 0 HA PHE A 19 8.064 6.784 2.025 1.00 0.00 H new ATOM 0 HB2 PHE A 19 8.805 7.531 0.052 1.00 0.00 H new ATOM 0 HB3 PHE A 19 9.242 5.901 -0.419 1.00 0.00 H new ATOM 0 HD1 PHE A 19 7.639 4.510 -1.726 1.00 0.00 H new ATOM 0 HD2 PHE A 19 6.842 8.599 -0.837 1.00 0.00 H new ATOM 0 HE1 PHE A 19 5.921 4.555 -3.479 1.00 0.00 H new ATOM 0 HE2 PHE A 19 5.123 8.647 -2.593 1.00 0.00 H new ATOM 0 HZ PHE A 19 4.662 6.624 -3.919 1.00 0.00 H new ATOM 325 N ILE A 20 5.651 6.314 2.068 1.00 0.00 N ATOM 326 CA ILE A 20 4.212 6.078 2.107 1.00 0.00 C ATOM 327 C ILE A 20 3.473 7.294 1.556 1.00 0.00 C ATOM 328 O ILE A 20 3.842 8.433 1.845 1.00 0.00 O ATOM 329 CB ILE A 20 3.701 5.781 3.539 1.00 0.00 C ATOM 330 CG1 ILE A 20 4.869 5.531 4.502 1.00 0.00 C ATOM 331 CG2 ILE A 20 2.759 4.583 3.527 1.00 0.00 C ATOM 332 CD1 ILE A 20 5.624 4.252 4.216 1.00 0.00 C ATOM 0 H ILE A 20 5.982 7.019 2.726 1.00 0.00 H new ATOM 0 HA ILE A 20 4.015 5.200 1.493 1.00 0.00 H new ATOM 0 HB ILE A 20 3.154 6.656 3.891 1.00 0.00 H new ATOM 0 HG12 ILE A 20 5.561 6.372 4.448 1.00 0.00 H new ATOM 0 HG13 ILE A 20 4.487 5.498 5.522 1.00 0.00 H new ATOM 0 HG21 ILE A 20 2.408 4.386 4.540 1.00 0.00 H new ATOM 0 HG22 ILE A 20 1.906 4.797 2.883 1.00 0.00 H new ATOM 0 HG23 ILE A 20 3.288 3.708 3.150 1.00 0.00 H new ATOM 0 HD11 ILE A 20 6.435 4.140 4.935 1.00 0.00 H new ATOM 0 HD12 ILE A 20 4.946 3.403 4.299 1.00 0.00 H new ATOM 0 HD13 ILE A 20 6.036 4.290 3.207 1.00 0.00 H new ATOM 344 N THR A 21 2.439 7.058 0.758 1.00 0.00 N ATOM 345 CA THR A 21 1.672 8.152 0.173 1.00 0.00 C ATOM 346 C THR A 21 0.626 8.664 1.156 1.00 0.00 C ATOM 347 O THR A 21 -0.342 7.972 1.466 1.00 0.00 O ATOM 348 CB THR A 21 0.998 7.700 -1.122 1.00 0.00 C ATOM 349 OG1 THR A 21 -0.201 6.997 -0.848 1.00 0.00 O ATOM 350 CG2 THR A 21 1.871 6.804 -1.975 1.00 0.00 C ATOM 0 H THR A 21 2.113 6.126 0.502 1.00 0.00 H new ATOM 0 HA THR A 21 2.361 8.965 -0.055 1.00 0.00 H new ATOM 0 HB THR A 21 0.800 8.618 -1.675 1.00 0.00 H new ATOM 0 HG1 THR A 21 -0.342 6.955 0.121 1.00 0.00 H new ATOM 0 HG21 THR A 21 1.330 6.521 -2.878 1.00 0.00 H new ATOM 0 HG22 THR A 21 2.781 7.337 -2.250 1.00 0.00 H new ATOM 0 HG23 THR A 21 2.132 5.907 -1.412 1.00 0.00 H new ATOM 358 N ARG A 22 0.825 9.882 1.643 1.00 0.00 N ATOM 359 CA ARG A 22 -0.101 10.477 2.592 1.00 0.00 C ATOM 360 C ARG A 22 -0.974 11.526 1.923 1.00 0.00 C ATOM 361 O ARG A 22 -0.751 11.890 0.768 1.00 0.00 O ATOM 362 CB ARG A 22 0.669 11.106 3.753 1.00 0.00 C ATOM 363 CG ARG A 22 1.591 12.238 3.330 1.00 0.00 C ATOM 364 CD ARG A 22 1.706 13.302 4.411 1.00 0.00 C ATOM 365 NE ARG A 22 3.087 13.487 4.850 1.00 0.00 N ATOM 366 CZ ARG A 22 3.428 14.067 5.999 1.00 0.00 C ATOM 367 NH1 ARG A 22 2.493 14.523 6.824 1.00 0.00 N ATOM 368 NH2 ARG A 22 4.707 14.193 6.323 1.00 0.00 N ATOM 0 H ARG A 22 1.618 10.474 1.396 1.00 0.00 H new ATOM 0 HA ARG A 22 -0.748 9.687 2.973 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -0.042 11.483 4.488 1.00 0.00 H new ATOM 0 HB3 ARG A 22 1.259 10.334 4.248 1.00 0.00 H new ATOM 0 HG2 ARG A 22 2.580 11.838 3.106 1.00 0.00 H new ATOM 0 HG3 ARG A 22 1.215 12.690 2.412 1.00 0.00 H new ATOM 0 HD2 ARG A 22 1.316 14.247 4.033 1.00 0.00 H new ATOM 0 HD3 ARG A 22 1.089 13.021 5.264 1.00 0.00 H new ATOM 0 HE ARG A 22 3.834 13.152 4.241 1.00 0.00 H new ATOM 0 HH11 ARG A 22 1.507 14.430 6.579 1.00 0.00 H new ATOM 0 HH12 ARG A 22 2.760 14.966 7.703 1.00 0.00 H new ATOM 0 HH21 ARG A 22 5.429 13.846 5.692 1.00 0.00 H new ATOM 0 HH22 ARG A 22 4.969 14.637 7.203 1.00 0.00 H new ATOM 493 N ASN A 31 -5.021 12.792 8.363 1.00 0.00 N ATOM 494 CA ASN A 31 -4.827 11.526 9.061 1.00 0.00 C ATOM 495 C ASN A 31 -5.073 10.331 8.139 1.00 0.00 C ATOM 496 O ASN A 31 -5.508 9.272 8.592 1.00 0.00 O ATOM 497 CB ASN A 31 -5.754 11.449 10.277 1.00 0.00 C ATOM 498 CG ASN A 31 -4.994 11.515 11.588 1.00 0.00 C ATOM 499 OD1 ASN A 31 -5.300 10.788 12.533 1.00 0.00 O ATOM 500 ND2 ASN A 31 -3.996 12.389 11.651 1.00 0.00 N ATOM 0 HA ASN A 31 -3.789 11.484 9.392 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -6.473 12.267 10.235 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -6.325 10.521 10.237 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -3.449 12.477 12.507 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -3.777 12.972 10.843 1.00 0.00 H new ATOM 507 N LYS A 32 -4.787 10.497 6.850 1.00 0.00 N ATOM 508 CA LYS A 32 -4.975 9.417 5.886 1.00 0.00 C ATOM 509 C LYS A 32 -3.647 8.949 5.309 1.00 0.00 C ATOM 510 O LYS A 32 -3.591 8.414 4.203 1.00 0.00 O ATOM 511 CB LYS A 32 -5.919 9.845 4.765 1.00 0.00 C ATOM 512 CG LYS A 32 -7.312 9.252 4.890 1.00 0.00 C ATOM 513 CD LYS A 32 -8.342 10.083 4.141 1.00 0.00 C ATOM 514 CE LYS A 32 -9.759 9.626 4.452 1.00 0.00 C ATOM 515 NZ LYS A 32 -10.258 8.645 3.449 1.00 0.00 N ATOM 0 H LYS A 32 -4.426 11.364 6.451 1.00 0.00 H new ATOM 0 HA LYS A 32 -5.425 8.579 6.419 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -5.994 10.932 4.759 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -5.491 9.550 3.807 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -7.311 8.234 4.500 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -7.589 9.190 5.942 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -8.230 11.133 4.411 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -8.161 10.008 3.069 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -9.786 9.176 5.444 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -10.422 10.491 4.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -11.227 8.358 3.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -10.256 9.082 2.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -9.640 7.809 3.444 1.00 0.00 H new ATOM 529 N LEU A 33 -2.587 9.145 6.077 1.00 0.00 N ATOM 530 CA LEU A 33 -1.245 8.737 5.668 1.00 0.00 C ATOM 531 C LEU A 33 -1.239 7.260 5.274 1.00 0.00 C ATOM 532 O LEU A 33 -1.025 6.392 6.115 1.00 0.00 O ATOM 533 CB LEU A 33 -0.266 8.976 6.822 1.00 0.00 C ATOM 534 CG LEU A 33 1.213 9.113 6.440 1.00 0.00 C ATOM 535 CD1 LEU A 33 2.095 8.856 7.651 1.00 0.00 C ATOM 536 CD2 LEU A 33 1.576 8.161 5.308 1.00 0.00 C ATOM 0 H LEU A 33 -2.627 9.588 6.995 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.938 9.328 4.805 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.569 9.882 7.346 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -0.362 8.152 7.529 1.00 0.00 H new ATOM 0 HG LEU A 33 1.381 10.132 6.091 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.142 8.956 7.366 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.860 9.579 8.432 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.916 7.848 8.024 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.630 8.279 5.057 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.391 7.134 5.623 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.967 8.388 4.433 1.00 0.00 H new ATOM 548 N GLU A 34 -1.495 6.977 3.998 1.00 0.00 N ATOM 549 CA GLU A 34 -1.542 5.597 3.523 1.00 0.00 C ATOM 550 C GLU A 34 -0.399 5.280 2.562 1.00 0.00 C ATOM 551 O GLU A 34 0.556 6.043 2.432 1.00 0.00 O ATOM 552 CB GLU A 34 -2.886 5.324 2.842 1.00 0.00 C ATOM 553 CG GLU A 34 -3.555 4.042 3.307 1.00 0.00 C ATOM 554 CD GLU A 34 -4.782 3.696 2.488 1.00 0.00 C ATOM 555 OE1 GLU A 34 -4.622 3.334 1.303 1.00 0.00 O ATOM 556 OE2 GLU A 34 -5.903 3.787 3.029 1.00 0.00 O ATOM 0 H GLU A 34 -1.672 7.680 3.280 1.00 0.00 H new ATOM 0 HA GLU A 34 -1.430 4.948 4.392 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -3.556 6.163 3.031 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -2.734 5.274 1.764 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -2.840 3.221 3.248 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.838 4.144 4.355 1.00 0.00 H new ATOM 563 N PHE A 35 -0.509 4.131 1.900 1.00 0.00 N ATOM 564 CA PHE A 35 0.503 3.683 0.951 1.00 0.00 C ATOM 565 C PHE A 35 -0.090 3.497 -0.448 1.00 0.00 C ATOM 566 O PHE A 35 -1.308 3.441 -0.617 1.00 0.00 O ATOM 567 CB PHE A 35 1.146 2.367 1.420 1.00 0.00 C ATOM 568 CG PHE A 35 0.570 1.812 2.695 1.00 0.00 C ATOM 569 CD1 PHE A 35 -0.747 1.381 2.747 1.00 0.00 C ATOM 570 CD2 PHE A 35 1.346 1.719 3.839 1.00 0.00 C ATOM 571 CE1 PHE A 35 -1.278 0.871 3.915 1.00 0.00 C ATOM 572 CE2 PHE A 35 0.819 1.208 5.011 1.00 0.00 C ATOM 573 CZ PHE A 35 -0.495 0.784 5.049 1.00 0.00 C ATOM 0 H PHE A 35 -1.295 3.490 2.006 1.00 0.00 H new ATOM 0 HA PHE A 35 1.269 4.457 0.902 1.00 0.00 H new ATOM 0 HB2 PHE A 35 1.036 1.622 0.632 1.00 0.00 H new ATOM 0 HB3 PHE A 35 2.215 2.529 1.559 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -1.365 1.445 1.863 1.00 0.00 H new ATOM 0 HD2 PHE A 35 2.374 2.049 3.815 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -2.306 0.540 3.942 1.00 0.00 H new ATOM 0 HE2 PHE A 35 1.434 1.141 5.896 1.00 0.00 H new ATOM 0 HZ PHE A 35 -0.909 0.385 5.963 1.00 0.00 H new ATOM 583 N PRO A 36 0.780 3.364 -1.467 1.00 0.00 N ATOM 584 CA PRO A 36 0.365 3.143 -2.860 1.00 0.00 C ATOM 585 C PRO A 36 -0.359 1.810 -3.015 1.00 0.00 C ATOM 586 O PRO A 36 -0.349 0.991 -2.096 1.00 0.00 O ATOM 587 CB PRO A 36 1.684 3.136 -3.639 1.00 0.00 C ATOM 588 CG PRO A 36 2.715 2.772 -2.630 1.00 0.00 C ATOM 589 CD PRO A 36 2.250 3.383 -1.337 1.00 0.00 C ATOM 0 HA PRO A 36 -0.333 3.903 -3.212 1.00 0.00 H new ATOM 0 HB2 PRO A 36 1.658 2.415 -4.456 1.00 0.00 H new ATOM 0 HB3 PRO A 36 1.889 4.111 -4.081 1.00 0.00 H new ATOM 0 HG2 PRO A 36 2.810 1.690 -2.540 1.00 0.00 H new ATOM 0 HG3 PRO A 36 3.695 3.156 -2.915 1.00 0.00 H new ATOM 0 HD2 PRO A 36 2.586 2.807 -0.475 1.00 0.00 H new ATOM 0 HD3 PRO A 36 2.630 4.397 -1.210 1.00 0.00 H new ATOM 597 N GLY A 37 -0.992 1.584 -4.165 1.00 0.00 N ATOM 598 CA GLY A 37 -1.702 0.331 -4.357 1.00 0.00 C ATOM 599 C GLY A 37 -3.207 0.441 -4.216 1.00 0.00 C ATOM 600 O GLY A 37 -3.828 -0.207 -3.374 1.00 0.00 O ATOM 0 H GLY A 37 -1.026 2.232 -4.952 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -1.469 -0.057 -5.348 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -1.333 -0.397 -3.635 1.00 0.00 H new ATOM 604 N GLY A 38 -3.777 1.264 -5.067 1.00 0.00 N ATOM 605 CA GLY A 38 -5.211 1.480 -5.090 1.00 0.00 C ATOM 606 C GLY A 38 -5.760 1.467 -6.509 1.00 0.00 C ATOM 607 O GLY A 38 -5.476 2.378 -7.288 1.00 0.00 O ATOM 0 H GLY A 38 -3.262 1.803 -5.763 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -5.705 0.707 -4.502 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -5.443 2.435 -4.619 1.00 0.00 H new ATOM 611 N LYS A 39 -6.538 0.424 -6.837 1.00 0.00 N ATOM 612 CA LYS A 39 -7.146 0.249 -8.168 1.00 0.00 C ATOM 613 C LYS A 39 -6.812 -1.129 -8.743 1.00 0.00 C ATOM 614 O LYS A 39 -7.361 -1.529 -9.769 1.00 0.00 O ATOM 615 CB LYS A 39 -6.704 1.337 -9.158 1.00 0.00 C ATOM 616 CG LYS A 39 -7.275 1.157 -10.557 1.00 0.00 C ATOM 617 CD LYS A 39 -7.728 2.483 -11.149 1.00 0.00 C ATOM 618 CE LYS A 39 -8.990 2.993 -10.473 1.00 0.00 C ATOM 619 NZ LYS A 39 -8.681 3.874 -9.313 1.00 0.00 N ATOM 0 H LYS A 39 -6.765 -0.326 -6.184 1.00 0.00 H new ATOM 0 HA LYS A 39 -8.224 0.335 -8.030 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -7.007 2.311 -8.774 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -5.616 1.342 -9.217 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -6.522 0.707 -11.204 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -8.118 0.467 -10.521 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -6.933 3.221 -11.042 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -7.909 2.363 -12.217 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -9.592 3.543 -11.196 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -9.589 2.147 -10.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -9.345 4.674 -9.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -8.774 3.331 -8.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -7.708 4.232 -9.399 1.00 0.00 H new ATOM 633 N ILE A 40 -5.913 -1.849 -8.072 1.00 0.00 N ATOM 634 CA ILE A 40 -5.502 -3.187 -8.509 1.00 0.00 C ATOM 635 C ILE A 40 -6.691 -4.013 -8.974 1.00 0.00 C ATOM 636 O ILE A 40 -6.658 -4.642 -10.031 1.00 0.00 O ATOM 637 CB ILE A 40 -4.778 -3.963 -7.384 1.00 0.00 C ATOM 638 CG1 ILE A 40 -5.018 -5.471 -7.539 1.00 0.00 C ATOM 639 CG2 ILE A 40 -5.247 -3.478 -6.026 1.00 0.00 C ATOM 640 CD1 ILE A 40 -4.086 -6.336 -6.723 1.00 0.00 C ATOM 0 H ILE A 40 -5.453 -1.528 -7.220 1.00 0.00 H new ATOM 0 HA ILE A 40 -4.815 -3.034 -9.341 1.00 0.00 H new ATOM 0 HB ILE A 40 -3.707 -3.778 -7.461 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -6.046 -5.695 -7.253 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -4.914 -5.737 -8.591 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -4.730 -4.032 -5.243 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -5.028 -2.415 -5.924 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -6.321 -3.637 -5.934 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -4.324 -7.386 -6.891 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -3.056 -6.145 -7.023 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -4.205 -6.102 -5.665 1.00 0.00 H new ATOM 652 N GLU A 41 -7.719 -4.010 -8.148 1.00 0.00 N ATOM 653 CA GLU A 41 -8.949 -4.759 -8.401 1.00 0.00 C ATOM 654 C GLU A 41 -9.255 -4.867 -9.895 1.00 0.00 C ATOM 655 O GLU A 41 -8.958 -5.884 -10.520 1.00 0.00 O ATOM 656 CB GLU A 41 -10.119 -4.109 -7.657 1.00 0.00 C ATOM 657 CG GLU A 41 -10.074 -2.586 -7.642 1.00 0.00 C ATOM 658 CD GLU A 41 -11.352 -1.956 -8.161 1.00 0.00 C ATOM 659 OE1 GLU A 41 -12.441 -2.496 -7.872 1.00 0.00 O ATOM 660 OE2 GLU A 41 -11.264 -0.922 -8.857 1.00 0.00 O ATOM 0 H GLU A 41 -7.731 -3.485 -7.273 1.00 0.00 H new ATOM 0 HA GLU A 41 -8.805 -5.773 -8.028 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -11.053 -4.430 -8.118 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -10.130 -4.472 -6.629 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -9.892 -2.242 -6.624 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -9.234 -2.246 -8.248 1.00 0.00 H new ATOM 667 N MET A 42 -9.842 -3.816 -10.461 1.00 0.00 N ATOM 668 CA MET A 42 -10.183 -3.791 -11.884 1.00 0.00 C ATOM 669 C MET A 42 -10.797 -5.121 -12.340 1.00 0.00 C ATOM 670 O MET A 42 -12.008 -5.316 -12.242 1.00 0.00 O ATOM 671 CB MET A 42 -8.942 -3.463 -12.720 1.00 0.00 C ATOM 672 CG MET A 42 -8.589 -1.986 -12.732 1.00 0.00 C ATOM 673 SD MET A 42 -9.865 -0.973 -13.505 1.00 0.00 S ATOM 674 CE MET A 42 -10.026 -1.785 -15.094 1.00 0.00 C ATOM 0 H MET A 42 -10.093 -2.966 -9.955 1.00 0.00 H new ATOM 0 HA MET A 42 -10.931 -3.012 -12.034 1.00 0.00 H new ATOM 0 HB2 MET A 42 -8.094 -4.027 -12.333 1.00 0.00 H new ATOM 0 HB3 MET A 42 -9.106 -3.797 -13.745 1.00 0.00 H new ATOM 0 HG2 MET A 42 -8.431 -1.646 -11.709 1.00 0.00 H new ATOM 0 HG3 MET A 42 -7.648 -1.846 -13.263 1.00 0.00 H new ATOM 0 HE1 MET A 42 -10.457 -1.091 -15.815 1.00 0.00 H new ATOM 0 HE2 MET A 42 -9.043 -2.104 -15.441 1.00 0.00 H new ATOM 0 HE3 MET A 42 -10.676 -2.654 -14.994 1.00 0.00 H new ATOM 684 N GLY A 43 -9.959 -6.030 -12.840 1.00 0.00 N ATOM 685 CA GLY A 43 -10.454 -7.317 -13.300 1.00 0.00 C ATOM 686 C GLY A 43 -9.348 -8.301 -13.625 1.00 0.00 C ATOM 687 O GLY A 43 -9.544 -9.231 -14.410 1.00 0.00 O ATOM 0 H GLY A 43 -8.952 -5.898 -12.934 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -11.099 -7.746 -12.533 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -11.070 -7.166 -14.187 1.00 0.00 H new ATOM 691 N GLU A 44 -8.188 -8.097 -13.026 1.00 0.00 N ATOM 692 CA GLU A 44 -7.039 -8.969 -13.252 1.00 0.00 C ATOM 693 C GLU A 44 -7.123 -10.221 -12.378 1.00 0.00 C ATOM 694 O GLU A 44 -8.188 -10.548 -11.854 1.00 0.00 O ATOM 695 CB GLU A 44 -5.740 -8.208 -12.975 1.00 0.00 C ATOM 696 CG GLU A 44 -4.878 -8.009 -14.209 1.00 0.00 C ATOM 697 CD GLU A 44 -4.870 -6.571 -14.691 1.00 0.00 C ATOM 698 OE1 GLU A 44 -5.965 -5.983 -14.819 1.00 0.00 O ATOM 699 OE2 GLU A 44 -3.771 -6.033 -14.939 1.00 0.00 O ATOM 0 H GLU A 44 -8.012 -7.332 -12.375 1.00 0.00 H new ATOM 0 HA GLU A 44 -7.047 -9.286 -14.295 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -5.983 -7.234 -12.550 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -5.165 -8.749 -12.223 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -3.857 -8.320 -13.988 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -5.241 -8.654 -15.009 1.00 0.00 H new ATOM 706 N THR A 45 -5.997 -10.917 -12.221 1.00 0.00 N ATOM 707 CA THR A 45 -5.957 -12.126 -11.408 1.00 0.00 C ATOM 708 C THR A 45 -5.208 -11.860 -10.106 1.00 0.00 C ATOM 709 O THR A 45 -4.381 -10.955 -10.038 1.00 0.00 O ATOM 710 CB THR A 45 -5.280 -13.262 -12.183 1.00 0.00 C ATOM 711 OG1 THR A 45 -4.997 -12.867 -13.514 1.00 0.00 O ATOM 712 CG2 THR A 45 -6.111 -14.524 -12.249 1.00 0.00 C ATOM 0 H THR A 45 -5.105 -10.663 -12.646 1.00 0.00 H new ATOM 0 HA THR A 45 -6.979 -12.423 -11.171 1.00 0.00 H new ATOM 0 HB THR A 45 -4.365 -13.477 -11.631 1.00 0.00 H new ATOM 0 HG1 THR A 45 -4.564 -13.606 -13.990 1.00 0.00 H new ATOM 0 HG21 THR A 45 -5.572 -15.286 -12.812 1.00 0.00 H new ATOM 0 HG22 THR A 45 -6.303 -14.887 -11.239 1.00 0.00 H new ATOM 0 HG23 THR A 45 -7.058 -14.310 -12.744 1.00 0.00 H new ATOM 720 N PRO A 46 -5.475 -12.649 -9.053 1.00 0.00 N ATOM 721 CA PRO A 46 -4.812 -12.491 -7.759 1.00 0.00 C ATOM 722 C PRO A 46 -3.307 -12.264 -7.898 1.00 0.00 C ATOM 723 O PRO A 46 -2.675 -11.685 -7.014 1.00 0.00 O ATOM 724 CB PRO A 46 -5.096 -13.822 -7.038 1.00 0.00 C ATOM 725 CG PRO A 46 -5.798 -14.689 -8.035 1.00 0.00 C ATOM 726 CD PRO A 46 -6.430 -13.758 -9.025 1.00 0.00 C ATOM 0 HA PRO A 46 -5.180 -11.618 -7.221 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -4.170 -14.288 -6.699 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -5.715 -13.663 -6.155 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -5.097 -15.363 -8.527 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -6.550 -15.310 -7.549 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -6.546 -14.222 -10.005 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -7.421 -13.435 -8.706 1.00 0.00 H new ATOM 734 N GLU A 47 -2.738 -12.728 -9.008 1.00 0.00 N ATOM 735 CA GLU A 47 -1.309 -12.579 -9.252 1.00 0.00 C ATOM 736 C GLU A 47 -0.999 -11.346 -10.103 1.00 0.00 C ATOM 737 O GLU A 47 -0.183 -10.510 -9.717 1.00 0.00 O ATOM 738 CB GLU A 47 -0.758 -13.831 -9.938 1.00 0.00 C ATOM 739 CG GLU A 47 -0.400 -14.946 -8.970 1.00 0.00 C ATOM 740 CD GLU A 47 1.066 -14.934 -8.584 1.00 0.00 C ATOM 741 OE1 GLU A 47 1.519 -13.924 -8.005 1.00 0.00 O ATOM 742 OE2 GLU A 47 1.762 -15.935 -8.859 1.00 0.00 O ATOM 0 H GLU A 47 -3.245 -13.209 -9.751 1.00 0.00 H new ATOM 0 HA GLU A 47 -0.826 -12.447 -8.284 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.497 -14.201 -10.648 1.00 0.00 H new ATOM 0 HB3 GLU A 47 0.128 -13.561 -10.512 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -1.009 -14.852 -8.071 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -0.645 -15.907 -9.422 1.00 0.00 H new ATOM 749 N GLN A 48 -1.639 -11.240 -11.268 1.00 0.00 N ATOM 750 CA GLN A 48 -1.404 -10.110 -12.167 1.00 0.00 C ATOM 751 C GLN A 48 -2.180 -8.867 -11.740 1.00 0.00 C ATOM 752 O GLN A 48 -2.026 -7.800 -12.334 1.00 0.00 O ATOM 753 CB GLN A 48 -1.777 -10.489 -13.601 1.00 0.00 C ATOM 754 CG GLN A 48 -0.632 -11.114 -14.383 1.00 0.00 C ATOM 755 CD GLN A 48 -1.051 -11.563 -15.768 1.00 0.00 C ATOM 756 OE1 GLN A 48 -0.767 -12.687 -16.181 1.00 0.00 O ATOM 757 NE2 GLN A 48 -1.728 -10.682 -16.497 1.00 0.00 N ATOM 0 H GLN A 48 -2.320 -11.918 -11.610 1.00 0.00 H new ATOM 0 HA GLN A 48 -0.342 -9.871 -12.117 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -2.614 -11.187 -13.577 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -2.120 -9.598 -14.126 1.00 0.00 H new ATOM 0 HG2 GLN A 48 0.181 -10.393 -14.469 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -0.243 -11.969 -13.830 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -1.942 -9.761 -16.115 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -2.034 -10.927 -17.439 1.00 0.00 H new ATOM 766 N ALA A 49 -3.016 -9.004 -10.718 1.00 0.00 N ATOM 767 CA ALA A 49 -3.808 -7.883 -10.236 1.00 0.00 C ATOM 768 C ALA A 49 -2.910 -6.793 -9.660 1.00 0.00 C ATOM 769 O ALA A 49 -2.938 -5.650 -10.116 1.00 0.00 O ATOM 770 CB ALA A 49 -4.817 -8.361 -9.203 1.00 0.00 C ATOM 0 H ALA A 49 -3.162 -9.876 -10.210 1.00 0.00 H new ATOM 0 HA ALA A 49 -4.353 -7.454 -11.077 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -5.404 -7.514 -8.849 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -5.480 -9.098 -9.656 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -4.291 -8.814 -8.363 1.00 0.00 H new ATOM 776 N VAL A 50 -2.104 -7.154 -8.668 1.00 0.00 N ATOM 777 CA VAL A 50 -1.187 -6.194 -8.053 1.00 0.00 C ATOM 778 C VAL A 50 0.049 -5.995 -8.924 1.00 0.00 C ATOM 779 O VAL A 50 0.482 -4.869 -9.149 1.00 0.00 O ATOM 780 CB VAL A 50 -0.748 -6.599 -6.617 1.00 0.00 C ATOM 781 CG1 VAL A 50 -1.025 -8.067 -6.330 1.00 0.00 C ATOM 782 CG2 VAL A 50 0.725 -6.281 -6.390 1.00 0.00 C ATOM 0 H VAL A 50 -2.064 -8.094 -8.274 1.00 0.00 H new ATOM 0 HA VAL A 50 -1.741 -5.259 -7.972 1.00 0.00 H new ATOM 0 HB VAL A 50 -1.345 -6.010 -5.921 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.703 -8.307 -5.317 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -2.093 -8.261 -6.427 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -0.478 -8.686 -7.041 1.00 0.00 H new ATOM 0 HG21 VAL A 50 1.009 -6.573 -5.379 1.00 0.00 H new ATOM 0 HG22 VAL A 50 1.331 -6.831 -7.110 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.890 -5.211 -6.518 1.00 0.00 H new ATOM 792 N VAL A 51 0.619 -7.098 -9.400 1.00 0.00 N ATOM 793 CA VAL A 51 1.815 -7.040 -10.233 1.00 0.00 C ATOM 794 C VAL A 51 1.632 -6.060 -11.385 1.00 0.00 C ATOM 795 O VAL A 51 2.559 -5.342 -11.756 1.00 0.00 O ATOM 796 CB VAL A 51 2.181 -8.430 -10.796 1.00 0.00 C ATOM 797 CG1 VAL A 51 3.454 -8.357 -11.627 1.00 0.00 C ATOM 798 CG2 VAL A 51 2.335 -9.439 -9.668 1.00 0.00 C ATOM 0 H VAL A 51 0.273 -8.041 -9.223 1.00 0.00 H new ATOM 0 HA VAL A 51 2.630 -6.696 -9.596 1.00 0.00 H new ATOM 0 HB VAL A 51 1.370 -8.760 -11.445 1.00 0.00 H new ATOM 0 HG11 VAL A 51 3.693 -9.348 -12.014 1.00 0.00 H new ATOM 0 HG12 VAL A 51 3.306 -7.668 -12.459 1.00 0.00 H new ATOM 0 HG13 VAL A 51 4.275 -8.003 -11.004 1.00 0.00 H new ATOM 0 HG21 VAL A 51 2.593 -10.413 -10.084 1.00 0.00 H new ATOM 0 HG22 VAL A 51 3.125 -9.112 -8.993 1.00 0.00 H new ATOM 0 HG23 VAL A 51 1.397 -9.516 -9.118 1.00 0.00 H new ATOM 808 N ARG A 52 0.427 -6.030 -11.940 1.00 0.00 N ATOM 809 CA ARG A 52 0.127 -5.128 -13.043 1.00 0.00 C ATOM 810 C ARG A 52 -0.111 -3.712 -12.531 1.00 0.00 C ATOM 811 O ARG A 52 0.454 -2.749 -13.049 1.00 0.00 O ATOM 812 CB ARG A 52 -1.094 -5.620 -13.821 1.00 0.00 C ATOM 813 CG ARG A 52 -1.263 -4.948 -15.174 1.00 0.00 C ATOM 814 CD ARG A 52 -2.107 -3.689 -15.069 1.00 0.00 C ATOM 815 NE ARG A 52 -1.284 -2.487 -14.957 1.00 0.00 N ATOM 816 CZ ARG A 52 -0.474 -2.051 -15.918 1.00 0.00 C ATOM 817 NH1 ARG A 52 -0.376 -2.713 -17.065 1.00 0.00 N ATOM 818 NH2 ARG A 52 0.241 -0.949 -15.735 1.00 0.00 N ATOM 0 H ARG A 52 -0.354 -6.617 -11.646 1.00 0.00 H new ATOM 0 HA ARG A 52 0.986 -5.114 -13.714 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -1.012 -6.697 -13.967 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -1.989 -5.447 -13.224 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -0.284 -4.698 -15.582 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -1.730 -5.644 -15.871 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -2.749 -3.609 -15.946 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -2.762 -3.763 -14.201 1.00 0.00 H new ATOM 0 HE ARG A 52 -1.333 -1.951 -14.091 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -0.924 -3.561 -17.213 1.00 0.00 H new ATOM 0 HH12 ARG A 52 0.247 -2.374 -17.798 1.00 0.00 H new ATOM 0 HH21 ARG A 52 0.170 -0.435 -14.857 1.00 0.00 H new ATOM 0 HH22 ARG A 52 0.862 -0.616 -16.472 1.00 0.00 H new ATOM 832 N GLU A 53 -0.948 -3.596 -11.507 1.00 0.00 N ATOM 833 CA GLU A 53 -1.265 -2.304 -10.913 1.00 0.00 C ATOM 834 C GLU A 53 -0.020 -1.679 -10.288 1.00 0.00 C ATOM 835 O GLU A 53 0.074 -0.458 -10.159 1.00 0.00 O ATOM 836 CB GLU A 53 -2.368 -2.471 -9.861 1.00 0.00 C ATOM 837 CG GLU A 53 -2.522 -1.284 -8.921 1.00 0.00 C ATOM 838 CD GLU A 53 -3.019 -0.037 -9.625 1.00 0.00 C ATOM 839 OE1 GLU A 53 -2.979 -0.004 -10.873 1.00 0.00 O ATOM 840 OE2 GLU A 53 -3.449 0.905 -8.928 1.00 0.00 O ATOM 0 H GLU A 53 -1.422 -4.386 -11.069 1.00 0.00 H new ATOM 0 HA GLU A 53 -1.622 -1.636 -11.697 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -3.317 -2.642 -10.370 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -2.158 -3.363 -9.270 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.217 -1.546 -8.123 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -1.562 -1.072 -8.451 1.00 0.00 H new ATOM 847 N LEU A 54 0.932 -2.522 -9.901 1.00 0.00 N ATOM 848 CA LEU A 54 2.167 -2.049 -9.291 1.00 0.00 C ATOM 849 C LEU A 54 2.856 -1.038 -10.193 1.00 0.00 C ATOM 850 O LEU A 54 3.303 0.012 -9.736 1.00 0.00 O ATOM 851 CB LEU A 54 3.102 -3.224 -9.000 1.00 0.00 C ATOM 852 CG LEU A 54 3.630 -3.296 -7.566 1.00 0.00 C ATOM 853 CD1 LEU A 54 2.513 -3.042 -6.559 1.00 0.00 C ATOM 854 CD2 LEU A 54 4.283 -4.645 -7.316 1.00 0.00 C ATOM 0 H LEU A 54 0.871 -3.535 -9.999 1.00 0.00 H new ATOM 0 HA LEU A 54 1.919 -1.559 -8.350 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.574 -4.151 -9.223 1.00 0.00 H new ATOM 0 HB3 LEU A 54 3.952 -3.169 -9.681 1.00 0.00 H new ATOM 0 HG LEU A 54 4.380 -2.516 -7.436 1.00 0.00 H new ATOM 0 HD11 LEU A 54 2.915 -3.099 -5.547 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.091 -2.051 -6.726 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.734 -3.794 -6.682 1.00 0.00 H new ATOM 0 HD21 LEU A 54 4.655 -4.685 -6.292 1.00 0.00 H new ATOM 0 HD22 LEU A 54 3.550 -5.438 -7.467 1.00 0.00 H new ATOM 0 HD23 LEU A 54 5.113 -4.782 -8.009 1.00 0.00 H new ATOM 866 N GLN A 55 2.915 -1.345 -11.484 1.00 0.00 N ATOM 867 CA GLN A 55 3.523 -0.437 -12.444 1.00 0.00 C ATOM 868 C GLN A 55 2.761 0.882 -12.442 1.00 0.00 C ATOM 869 O GLN A 55 3.334 1.951 -12.652 1.00 0.00 O ATOM 870 CB GLN A 55 3.519 -1.055 -13.845 1.00 0.00 C ATOM 871 CG GLN A 55 4.910 -1.313 -14.400 1.00 0.00 C ATOM 872 CD GLN A 55 5.400 -2.719 -14.113 1.00 0.00 C ATOM 873 OE1 GLN A 55 5.251 -3.155 -12.868 1.00 0.00 O flip ATOM 874 NE2 GLN A 55 5.906 -3.406 -15.002 1.00 0.00 N flip ATOM 0 H GLN A 55 2.552 -2.209 -11.886 1.00 0.00 H new ATOM 0 HA GLN A 55 4.559 -0.255 -12.159 1.00 0.00 H new ATOM 0 HB2 GLN A 55 2.968 -1.995 -13.817 1.00 0.00 H new ATOM 0 HB3 GLN A 55 2.983 -0.392 -14.524 1.00 0.00 H new ATOM 0 HG2 GLN A 55 4.904 -1.147 -15.477 1.00 0.00 H new ATOM 0 HG3 GLN A 55 5.608 -0.594 -13.971 1.00 0.00 H new ATOM 0 HE21 GLN A 55 6.001 -3.030 -15.945 1.00 0.00 H new ATOM 0 HE22 GLN A 55 6.230 -4.351 -14.794 1.00 0.00 H new ATOM 883 N GLU A 56 1.458 0.789 -12.185 1.00 0.00 N ATOM 884 CA GLU A 56 0.597 1.960 -12.130 1.00 0.00 C ATOM 885 C GLU A 56 0.779 2.705 -10.815 1.00 0.00 C ATOM 886 O GLU A 56 0.517 3.903 -10.734 1.00 0.00 O ATOM 887 CB GLU A 56 -0.868 1.550 -12.279 1.00 0.00 C ATOM 888 CG GLU A 56 -1.717 2.568 -13.023 1.00 0.00 C ATOM 889 CD GLU A 56 -2.548 3.429 -12.090 1.00 0.00 C ATOM 890 OE1 GLU A 56 -3.161 2.873 -11.153 1.00 0.00 O ATOM 891 OE2 GLU A 56 -2.588 4.660 -12.298 1.00 0.00 O ATOM 0 H GLU A 56 0.976 -0.093 -12.011 1.00 0.00 H new ATOM 0 HA GLU A 56 0.876 2.619 -12.952 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -0.917 0.596 -12.804 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -1.294 1.390 -11.288 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -1.069 3.208 -13.621 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -2.378 2.047 -13.716 1.00 0.00 H new ATOM 898 N GLU A 57 1.209 1.987 -9.779 1.00 0.00 N ATOM 899 CA GLU A 57 1.399 2.595 -8.469 1.00 0.00 C ATOM 900 C GLU A 57 2.879 2.738 -8.110 1.00 0.00 C ATOM 901 O GLU A 57 3.216 3.162 -7.004 1.00 0.00 O ATOM 902 CB GLU A 57 0.682 1.770 -7.401 1.00 0.00 C ATOM 903 CG GLU A 57 -0.762 1.452 -7.754 1.00 0.00 C ATOM 904 CD GLU A 57 -1.663 2.669 -7.668 1.00 0.00 C ATOM 905 OE1 GLU A 57 -1.667 3.474 -8.623 1.00 0.00 O ATOM 906 OE2 GLU A 57 -2.364 2.817 -6.645 1.00 0.00 O ATOM 0 H GLU A 57 1.430 0.992 -9.823 1.00 0.00 H new ATOM 0 HA GLU A 57 0.972 3.597 -8.509 1.00 0.00 H new ATOM 0 HB2 GLU A 57 1.225 0.837 -7.247 1.00 0.00 H new ATOM 0 HB3 GLU A 57 0.706 2.312 -6.456 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -0.804 1.043 -8.764 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -1.135 0.679 -7.082 1.00 0.00 H new ATOM 913 N VAL A 58 3.761 2.404 -9.048 1.00 0.00 N ATOM 914 CA VAL A 58 5.195 2.520 -8.820 1.00 0.00 C ATOM 915 C VAL A 58 5.865 3.163 -10.021 1.00 0.00 C ATOM 916 O VAL A 58 6.696 4.060 -9.881 1.00 0.00 O ATOM 917 CB VAL A 58 5.846 1.147 -8.556 1.00 0.00 C ATOM 918 CG1 VAL A 58 7.308 1.311 -8.175 1.00 0.00 C ATOM 919 CG2 VAL A 58 5.096 0.396 -7.471 1.00 0.00 C ATOM 0 H VAL A 58 3.507 2.052 -9.971 1.00 0.00 H new ATOM 0 HA VAL A 58 5.333 3.142 -7.936 1.00 0.00 H new ATOM 0 HB VAL A 58 5.793 0.564 -9.476 1.00 0.00 H new ATOM 0 HG11 VAL A 58 7.749 0.331 -7.993 1.00 0.00 H new ATOM 0 HG12 VAL A 58 7.842 1.804 -8.987 1.00 0.00 H new ATOM 0 HG13 VAL A 58 7.383 1.916 -7.271 1.00 0.00 H new ATOM 0 HG21 VAL A 58 5.572 -0.570 -7.301 1.00 0.00 H new ATOM 0 HG22 VAL A 58 5.113 0.976 -6.549 1.00 0.00 H new ATOM 0 HG23 VAL A 58 4.063 0.241 -7.783 1.00 0.00 H new ATOM 929 N GLY A 59 5.476 2.704 -11.207 1.00 0.00 N ATOM 930 CA GLY A 59 6.017 3.238 -12.441 1.00 0.00 C ATOM 931 C GLY A 59 7.482 2.925 -12.654 1.00 0.00 C ATOM 932 O GLY A 59 7.906 2.625 -13.770 1.00 0.00 O ATOM 0 H GLY A 59 4.787 1.963 -11.334 1.00 0.00 H new ATOM 0 HA2 GLY A 59 5.445 2.840 -13.279 1.00 0.00 H new ATOM 0 HA3 GLY A 59 5.882 4.320 -12.448 1.00 0.00 H new ATOM 936 N ILE A 60 8.249 3.004 -11.590 1.00 0.00 N ATOM 937 CA ILE A 60 9.676 2.741 -11.648 1.00 0.00 C ATOM 938 C ILE A 60 9.959 1.248 -11.698 1.00 0.00 C ATOM 939 O ILE A 60 9.040 0.429 -11.730 1.00 0.00 O ATOM 940 CB ILE A 60 10.441 3.340 -10.442 1.00 0.00 C ATOM 941 CG1 ILE A 60 9.534 3.589 -9.237 1.00 0.00 C ATOM 942 CG2 ILE A 60 11.153 4.623 -10.843 1.00 0.00 C ATOM 943 CD1 ILE A 60 10.262 3.474 -7.915 1.00 0.00 C ATOM 0 H ILE A 60 7.906 3.251 -10.662 1.00 0.00 H new ATOM 0 HA ILE A 60 10.027 3.222 -12.561 1.00 0.00 H new ATOM 0 HB ILE A 60 11.181 2.600 -10.138 1.00 0.00 H new ATOM 0 HG12 ILE A 60 9.095 4.584 -9.319 1.00 0.00 H new ATOM 0 HG13 ILE A 60 8.711 2.875 -9.255 1.00 0.00 H new ATOM 0 HG21 ILE A 60 11.685 5.028 -9.982 1.00 0.00 H new ATOM 0 HG22 ILE A 60 11.864 4.410 -11.641 1.00 0.00 H new ATOM 0 HG23 ILE A 60 10.421 5.351 -11.193 1.00 0.00 H new ATOM 0 HD11 ILE A 60 9.565 3.661 -7.098 1.00 0.00 H new ATOM 0 HD12 ILE A 60 10.678 2.471 -7.815 1.00 0.00 H new ATOM 0 HD13 ILE A 60 11.068 4.206 -7.879 1.00 0.00 H new ATOM 955 N THR A 61 11.242 0.909 -11.702 1.00 0.00 N ATOM 956 CA THR A 61 11.675 -0.468 -11.741 1.00 0.00 C ATOM 957 C THR A 61 12.371 -0.827 -10.435 1.00 0.00 C ATOM 958 O THR A 61 13.581 -0.647 -10.302 1.00 0.00 O ATOM 959 CB THR A 61 12.644 -0.634 -12.897 1.00 0.00 C ATOM 960 OG1 THR A 61 13.318 0.585 -13.160 1.00 0.00 O ATOM 961 CG2 THR A 61 11.976 -1.071 -14.179 1.00 0.00 C ATOM 0 H THR A 61 12.005 1.585 -11.678 1.00 0.00 H new ATOM 0 HA THR A 61 10.816 -1.125 -11.874 1.00 0.00 H new ATOM 0 HB THR A 61 13.338 -1.414 -12.584 1.00 0.00 H new ATOM 0 HG1 THR A 61 13.940 0.460 -13.907 1.00 0.00 H new ATOM 0 HG21 THR A 61 12.725 -1.170 -14.964 1.00 0.00 H new ATOM 0 HG22 THR A 61 11.483 -2.031 -14.024 1.00 0.00 H new ATOM 0 HG23 THR A 61 11.236 -0.327 -14.476 1.00 0.00 H new ATOM 969 N PRO A 62 11.612 -1.285 -9.432 1.00 0.00 N ATOM 970 CA PRO A 62 12.134 -1.604 -8.124 1.00 0.00 C ATOM 971 C PRO A 62 12.093 -3.083 -7.782 1.00 0.00 C ATOM 972 O PRO A 62 11.153 -3.783 -8.158 1.00 0.00 O ATOM 973 CB PRO A 62 11.097 -0.878 -7.288 1.00 0.00 C ATOM 974 CG PRO A 62 9.805 -1.204 -7.974 1.00 0.00 C ATOM 975 CD PRO A 62 10.153 -1.462 -9.426 1.00 0.00 C ATOM 0 HA PRO A 62 13.183 -1.336 -7.997 1.00 0.00 H new ATOM 0 HB2 PRO A 62 11.101 -1.224 -6.254 1.00 0.00 H new ATOM 0 HB3 PRO A 62 11.280 0.196 -7.266 1.00 0.00 H new ATOM 0 HG2 PRO A 62 9.335 -2.079 -7.525 1.00 0.00 H new ATOM 0 HG3 PRO A 62 9.097 -0.380 -7.883 1.00 0.00 H new ATOM 0 HD2 PRO A 62 9.863 -2.464 -9.742 1.00 0.00 H new ATOM 0 HD3 PRO A 62 9.655 -0.760 -10.095 1.00 0.00 H new ATOM 983 N GLN A 63 13.066 -3.545 -7.002 1.00 0.00 N ATOM 984 CA GLN A 63 13.044 -4.923 -6.561 1.00 0.00 C ATOM 985 C GLN A 63 11.978 -4.999 -5.491 1.00 0.00 C ATOM 986 O GLN A 63 12.252 -4.929 -4.293 1.00 0.00 O ATOM 987 CB GLN A 63 14.406 -5.353 -6.023 1.00 0.00 C ATOM 988 CG GLN A 63 15.393 -5.691 -7.121 1.00 0.00 C ATOM 989 CD GLN A 63 16.692 -6.266 -6.591 1.00 0.00 C ATOM 990 OE1 GLN A 63 17.190 -5.700 -5.497 1.00 0.00 O flip ATOM 991 NE2 GLN A 63 17.243 -7.211 -7.156 1.00 0.00 N flip ATOM 0 H GLN A 63 13.859 -2.995 -6.672 1.00 0.00 H new ATOM 0 HA GLN A 63 12.823 -5.600 -7.386 1.00 0.00 H new ATOM 0 HB2 GLN A 63 14.816 -4.554 -5.406 1.00 0.00 H new ATOM 0 HB3 GLN A 63 14.278 -6.221 -5.376 1.00 0.00 H new ATOM 0 HG2 GLN A 63 14.937 -6.407 -7.805 1.00 0.00 H new ATOM 0 HG3 GLN A 63 15.608 -4.792 -7.698 1.00 0.00 H new ATOM 0 HE21 GLN A 63 16.827 -7.617 -7.994 1.00 0.00 H new ATOM 0 HE22 GLN A 63 18.115 -7.588 -6.786 1.00 0.00 H new ATOM 1000 N HIS A 64 10.748 -5.074 -5.963 1.00 0.00 N ATOM 1001 CA HIS A 64 9.576 -5.083 -5.109 1.00 0.00 C ATOM 1002 C HIS A 64 8.745 -6.332 -5.349 1.00 0.00 C ATOM 1003 O HIS A 64 8.409 -6.653 -6.488 1.00 0.00 O ATOM 1004 CB HIS A 64 8.771 -3.815 -5.419 1.00 0.00 C ATOM 1005 CG HIS A 64 7.315 -3.864 -5.048 1.00 0.00 C ATOM 1006 ND1 HIS A 64 6.792 -4.732 -4.112 1.00 0.00 N ATOM 1007 CD2 HIS A 64 6.267 -3.140 -5.508 1.00 0.00 C ATOM 1008 CE1 HIS A 64 5.488 -4.542 -4.019 1.00 0.00 C ATOM 1009 NE2 HIS A 64 5.145 -3.580 -4.853 1.00 0.00 N ATOM 0 H HIS A 64 10.533 -5.131 -6.958 1.00 0.00 H new ATOM 0 HA HIS A 64 9.868 -5.095 -4.059 1.00 0.00 H new ATOM 0 HB2 HIS A 64 9.233 -2.976 -4.897 1.00 0.00 H new ATOM 0 HB3 HIS A 64 8.849 -3.608 -6.486 1.00 0.00 H new ATOM 0 HD1 HIS A 64 7.328 -5.414 -3.576 1.00 0.00 H new ATOM 0 HD2 HIS A 64 6.307 -2.360 -6.254 1.00 0.00 H new ATOM 0 HE1 HIS A 64 4.816 -5.083 -3.369 1.00 0.00 H new ATOM 1018 N PHE A 65 8.427 -7.041 -4.272 1.00 0.00 N ATOM 1019 CA PHE A 65 7.652 -8.263 -4.383 1.00 0.00 C ATOM 1020 C PHE A 65 7.419 -8.902 -3.019 1.00 0.00 C ATOM 1021 O PHE A 65 7.951 -8.446 -2.014 1.00 0.00 O ATOM 1022 CB PHE A 65 8.406 -9.239 -5.263 1.00 0.00 C ATOM 1023 CG PHE A 65 7.525 -10.213 -5.991 1.00 0.00 C ATOM 1024 CD1 PHE A 65 6.455 -9.763 -6.747 1.00 0.00 C ATOM 1025 CD2 PHE A 65 7.768 -11.576 -5.924 1.00 0.00 C ATOM 1026 CE1 PHE A 65 5.643 -10.653 -7.422 1.00 0.00 C ATOM 1027 CE2 PHE A 65 6.958 -12.471 -6.598 1.00 0.00 C ATOM 1028 CZ PHE A 65 5.894 -12.008 -7.348 1.00 0.00 C ATOM 0 H PHE A 65 8.693 -6.790 -3.320 1.00 0.00 H new ATOM 0 HA PHE A 65 6.681 -8.018 -4.814 1.00 0.00 H new ATOM 0 HB2 PHE A 65 8.990 -8.678 -5.993 1.00 0.00 H new ATOM 0 HB3 PHE A 65 9.114 -9.795 -4.648 1.00 0.00 H new ATOM 0 HD1 PHE A 65 6.253 -8.704 -6.809 1.00 0.00 H new ATOM 0 HD2 PHE A 65 8.599 -11.943 -5.339 1.00 0.00 H new ATOM 0 HE1 PHE A 65 4.812 -10.289 -8.008 1.00 0.00 H new ATOM 0 HE2 PHE A 65 7.157 -13.531 -6.538 1.00 0.00 H new ATOM 0 HZ PHE A 65 5.260 -12.705 -7.875 1.00 0.00 H new ATOM 1038 N SER A 66 6.635 -9.978 -3.003 1.00 0.00 N ATOM 1039 CA SER A 66 6.337 -10.707 -1.771 1.00 0.00 C ATOM 1040 C SER A 66 5.271 -9.990 -0.955 1.00 0.00 C ATOM 1041 O SER A 66 4.996 -8.810 -1.172 1.00 0.00 O ATOM 1042 CB SER A 66 7.602 -10.897 -0.928 1.00 0.00 C ATOM 1043 OG SER A 66 7.445 -11.957 -0.002 1.00 0.00 O ATOM 0 H SER A 66 6.192 -10.367 -3.835 1.00 0.00 H new ATOM 0 HA SER A 66 5.955 -11.688 -2.054 1.00 0.00 H new ATOM 0 HB2 SER A 66 8.450 -11.104 -1.581 1.00 0.00 H new ATOM 0 HB3 SER A 66 7.828 -9.974 -0.394 1.00 0.00 H new ATOM 0 HG SER A 66 8.267 -12.058 0.522 1.00 0.00 H new ATOM 1049 N LEU A 67 4.670 -10.712 -0.015 1.00 0.00 N ATOM 1050 CA LEU A 67 3.630 -10.144 0.831 1.00 0.00 C ATOM 1051 C LEU A 67 3.982 -10.276 2.308 1.00 0.00 C ATOM 1052 O LEU A 67 4.317 -11.361 2.783 1.00 0.00 O ATOM 1053 CB LEU A 67 2.285 -10.819 0.549 1.00 0.00 C ATOM 1054 CG LEU A 67 2.132 -12.233 1.116 1.00 0.00 C ATOM 1055 CD1 LEU A 67 1.353 -12.204 2.422 1.00 0.00 C ATOM 1056 CD2 LEU A 67 1.448 -13.144 0.107 1.00 0.00 C ATOM 0 H LEU A 67 4.886 -11.690 0.179 1.00 0.00 H new ATOM 0 HA LEU A 67 3.553 -9.083 0.595 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.491 -10.194 0.957 1.00 0.00 H new ATOM 0 HB3 LEU A 67 2.137 -10.860 -0.530 1.00 0.00 H new ATOM 0 HG LEU A 67 3.127 -12.630 1.318 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.255 -13.218 2.810 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.883 -11.588 3.148 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.362 -11.785 2.245 1.00 0.00 H new ATOM 0 HD21 LEU A 67 1.349 -14.144 0.529 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.459 -12.749 -0.128 1.00 0.00 H new ATOM 0 HD23 LEU A 67 2.045 -13.192 -0.803 1.00 0.00 H new ATOM 1068 N PHE A 68 3.894 -9.165 3.031 1.00 0.00 N ATOM 1069 CA PHE A 68 4.192 -9.161 4.457 1.00 0.00 C ATOM 1070 C PHE A 68 3.025 -9.770 5.230 1.00 0.00 C ATOM 1071 O PHE A 68 3.212 -10.588 6.130 1.00 0.00 O ATOM 1072 CB PHE A 68 4.485 -7.729 4.935 1.00 0.00 C ATOM 1073 CG PHE A 68 3.425 -7.132 5.824 1.00 0.00 C ATOM 1074 CD1 PHE A 68 2.308 -6.523 5.279 1.00 0.00 C ATOM 1075 CD2 PHE A 68 3.554 -7.177 7.203 1.00 0.00 C ATOM 1076 CE1 PHE A 68 1.338 -5.970 6.093 1.00 0.00 C ATOM 1077 CE2 PHE A 68 2.587 -6.624 8.021 1.00 0.00 C ATOM 1078 CZ PHE A 68 1.478 -6.020 7.465 1.00 0.00 C ATOM 0 H PHE A 68 3.619 -8.258 2.654 1.00 0.00 H new ATOM 0 HA PHE A 68 5.080 -9.765 4.641 1.00 0.00 H new ATOM 0 HB2 PHE A 68 5.434 -7.727 5.472 1.00 0.00 H new ATOM 0 HB3 PHE A 68 4.611 -7.088 4.062 1.00 0.00 H new ATOM 0 HD1 PHE A 68 2.193 -6.480 4.206 1.00 0.00 H new ATOM 0 HD2 PHE A 68 4.420 -7.649 7.643 1.00 0.00 H new ATOM 0 HE1 PHE A 68 0.470 -5.499 5.656 1.00 0.00 H new ATOM 0 HE2 PHE A 68 2.699 -6.665 9.094 1.00 0.00 H new ATOM 0 HZ PHE A 68 0.721 -5.587 8.102 1.00 0.00 H new ATOM 1088 N GLU A 69 1.817 -9.364 4.850 1.00 0.00 N ATOM 1089 CA GLU A 69 0.594 -9.855 5.474 1.00 0.00 C ATOM 1090 C GLU A 69 -0.619 -9.371 4.687 1.00 0.00 C ATOM 1091 O GLU A 69 -0.715 -8.194 4.356 1.00 0.00 O ATOM 1092 CB GLU A 69 0.505 -9.378 6.925 1.00 0.00 C ATOM 1093 CG GLU A 69 1.107 -10.352 7.925 1.00 0.00 C ATOM 1094 CD GLU A 69 0.262 -10.503 9.174 1.00 0.00 C ATOM 1095 OE1 GLU A 69 -0.979 -10.421 9.065 1.00 0.00 O ATOM 1096 OE2 GLU A 69 0.841 -10.703 10.262 1.00 0.00 O ATOM 0 H GLU A 69 1.659 -8.687 4.103 1.00 0.00 H new ATOM 0 HA GLU A 69 0.611 -10.945 5.469 1.00 0.00 H new ATOM 0 HB2 GLU A 69 1.013 -8.418 7.015 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -0.541 -9.210 7.180 1.00 0.00 H new ATOM 0 HG2 GLU A 69 1.225 -11.326 7.451 1.00 0.00 H new ATOM 0 HG3 GLU A 69 2.104 -10.010 8.204 1.00 0.00 H new ATOM 1103 N LYS A 70 -1.537 -10.278 4.379 1.00 0.00 N ATOM 1104 CA LYS A 70 -2.730 -9.916 3.619 1.00 0.00 C ATOM 1105 C LYS A 70 -3.976 -9.938 4.500 1.00 0.00 C ATOM 1106 O LYS A 70 -4.210 -10.894 5.240 1.00 0.00 O ATOM 1107 CB LYS A 70 -2.913 -10.869 2.437 1.00 0.00 C ATOM 1108 CG LYS A 70 -2.972 -12.334 2.839 1.00 0.00 C ATOM 1109 CD LYS A 70 -3.980 -13.103 1.999 1.00 0.00 C ATOM 1110 CE LYS A 70 -3.479 -14.500 1.671 1.00 0.00 C ATOM 1111 NZ LYS A 70 -4.579 -15.505 1.693 1.00 0.00 N ATOM 0 H LYS A 70 -1.481 -11.262 4.640 1.00 0.00 H new ATOM 0 HA LYS A 70 -2.594 -8.901 3.247 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -3.831 -10.608 1.910 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.091 -10.726 1.736 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -1.985 -12.783 2.726 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -3.240 -12.413 3.893 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -4.926 -13.171 2.536 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -4.176 -12.559 1.075 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -3.011 -14.496 0.687 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -2.710 -14.788 2.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -4.196 -16.444 1.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -5.009 -15.528 2.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -5.301 -15.245 0.991 1.00 0.00 H new ATOM 1125 N LEU A 71 -4.775 -8.877 4.415 1.00 0.00 N ATOM 1126 CA LEU A 71 -5.998 -8.771 5.199 1.00 0.00 C ATOM 1127 C LEU A 71 -7.226 -8.905 4.301 1.00 0.00 C ATOM 1128 O LEU A 71 -7.271 -8.342 3.208 1.00 0.00 O ATOM 1129 CB LEU A 71 -6.028 -7.432 5.941 1.00 0.00 C ATOM 1130 CG LEU A 71 -7.337 -7.121 6.667 1.00 0.00 C ATOM 1131 CD1 LEU A 71 -7.257 -7.557 8.121 1.00 0.00 C ATOM 1132 CD2 LEU A 71 -7.663 -5.638 6.570 1.00 0.00 C ATOM 0 H LEU A 71 -4.595 -8.077 3.808 1.00 0.00 H new ATOM 0 HA LEU A 71 -6.016 -9.582 5.927 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -5.216 -7.419 6.668 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -5.829 -6.634 5.226 1.00 0.00 H new ATOM 0 HG LEU A 71 -8.139 -7.680 6.185 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -8.198 -7.328 8.622 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -7.072 -8.630 8.169 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -6.444 -7.026 8.616 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -8.598 -5.436 7.093 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -6.860 -5.058 7.026 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -7.765 -5.356 5.522 1.00 0.00 H new ATOM 1144 N GLU A 72 -8.221 -9.655 4.766 1.00 0.00 N ATOM 1145 CA GLU A 72 -9.442 -9.860 4.000 1.00 0.00 C ATOM 1146 C GLU A 72 -10.677 -9.669 4.881 1.00 0.00 C ATOM 1147 O GLU A 72 -10.961 -10.488 5.755 1.00 0.00 O ATOM 1148 CB GLU A 72 -9.437 -11.263 3.379 1.00 0.00 C ATOM 1149 CG GLU A 72 -10.819 -11.790 3.027 1.00 0.00 C ATOM 1150 CD GLU A 72 -10.769 -12.978 2.085 1.00 0.00 C ATOM 1151 OE1 GLU A 72 -10.322 -14.061 2.519 1.00 0.00 O ATOM 1152 OE2 GLU A 72 -11.176 -12.825 0.915 1.00 0.00 O ATOM 0 H GLU A 72 -8.204 -10.130 5.669 1.00 0.00 H new ATOM 0 HA GLU A 72 -9.481 -9.118 3.202 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -8.825 -11.247 2.477 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -8.962 -11.955 4.074 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -11.338 -12.078 3.941 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -11.402 -10.992 2.568 1.00 0.00 H new ATOM 1159 N TYR A 73 -11.408 -8.586 4.636 1.00 0.00 N ATOM 1160 CA TYR A 73 -12.617 -8.287 5.398 1.00 0.00 C ATOM 1161 C TYR A 73 -13.698 -7.714 4.486 1.00 0.00 C ATOM 1162 O TYR A 73 -13.398 -7.004 3.528 1.00 0.00 O ATOM 1163 CB TYR A 73 -12.306 -7.304 6.529 1.00 0.00 C ATOM 1164 CG TYR A 73 -11.927 -5.921 6.048 1.00 0.00 C ATOM 1165 CD1 TYR A 73 -10.808 -5.727 5.248 1.00 0.00 C ATOM 1166 CD2 TYR A 73 -12.687 -4.812 6.394 1.00 0.00 C ATOM 1167 CE1 TYR A 73 -10.458 -4.465 4.805 1.00 0.00 C ATOM 1168 CE2 TYR A 73 -12.345 -3.547 5.955 1.00 0.00 C ATOM 1169 CZ TYR A 73 -11.230 -3.379 5.161 1.00 0.00 C ATOM 1170 OH TYR A 73 -10.885 -2.121 4.723 1.00 0.00 O ATOM 0 H TYR A 73 -11.184 -7.900 3.915 1.00 0.00 H new ATOM 0 HA TYR A 73 -12.986 -9.216 5.833 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -13.177 -7.226 7.180 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -11.492 -7.705 7.132 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -10.202 -6.576 4.968 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -13.560 -4.940 7.017 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -9.585 -4.330 4.184 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -12.948 -2.695 6.232 1.00 0.00 H new ATOM 0 HH TYR A 73 -11.532 -1.468 5.061 1.00 0.00 H new ATOM 1180 N GLU A 74 -14.954 -8.024 4.788 1.00 0.00 N ATOM 1181 CA GLU A 74 -16.070 -7.532 3.986 1.00 0.00 C ATOM 1182 C GLU A 74 -17.038 -6.711 4.829 1.00 0.00 C ATOM 1183 O GLU A 74 -17.419 -7.110 5.930 1.00 0.00 O ATOM 1184 CB GLU A 74 -16.816 -8.692 3.321 1.00 0.00 C ATOM 1185 CG GLU A 74 -17.030 -9.886 4.235 1.00 0.00 C ATOM 1186 CD GLU A 74 -17.323 -11.161 3.469 1.00 0.00 C ATOM 1187 OE1 GLU A 74 -16.359 -11.848 3.069 1.00 0.00 O ATOM 1188 OE2 GLU A 74 -18.516 -11.474 3.269 1.00 0.00 O ATOM 0 H GLU A 74 -15.225 -8.610 5.578 1.00 0.00 H new ATOM 0 HA GLU A 74 -15.655 -6.888 3.211 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -17.785 -8.336 2.971 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -16.258 -9.014 2.442 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -16.142 -10.032 4.850 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -17.857 -9.676 4.914 1.00 0.00 H new ATOM 1195 N PHE A 75 -17.432 -5.563 4.295 1.00 0.00 N ATOM 1196 CA PHE A 75 -18.357 -4.669 4.968 1.00 0.00 C ATOM 1197 C PHE A 75 -19.791 -4.947 4.515 1.00 0.00 C ATOM 1198 O PHE A 75 -20.006 -5.593 3.490 1.00 0.00 O ATOM 1199 CB PHE A 75 -17.979 -3.218 4.673 1.00 0.00 C ATOM 1200 CG PHE A 75 -17.172 -2.555 5.760 1.00 0.00 C ATOM 1201 CD1 PHE A 75 -17.432 -2.808 7.100 1.00 0.00 C ATOM 1202 CD2 PHE A 75 -16.150 -1.679 5.435 1.00 0.00 C ATOM 1203 CE1 PHE A 75 -16.688 -2.196 8.090 1.00 0.00 C ATOM 1204 CE2 PHE A 75 -15.402 -1.065 6.423 1.00 0.00 C ATOM 1205 CZ PHE A 75 -15.671 -1.324 7.752 1.00 0.00 C ATOM 0 H PHE A 75 -17.118 -5.228 3.384 1.00 0.00 H new ATOM 0 HA PHE A 75 -18.297 -4.840 6.043 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -17.411 -3.184 3.743 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -18.891 -2.643 4.511 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -18.224 -3.490 7.371 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -15.934 -1.473 4.397 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -16.901 -2.399 9.129 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -14.608 -0.384 6.155 1.00 0.00 H new ATOM 0 HZ PHE A 75 -15.088 -0.846 8.525 1.00 0.00 H new ATOM 1215 N PRO A 76 -20.790 -4.464 5.275 1.00 0.00 N ATOM 1216 CA PRO A 76 -22.204 -4.663 4.948 1.00 0.00 C ATOM 1217 C PRO A 76 -22.542 -4.200 3.537 1.00 0.00 C ATOM 1218 O PRO A 76 -23.031 -3.087 3.336 1.00 0.00 O ATOM 1219 CB PRO A 76 -22.953 -3.818 5.988 1.00 0.00 C ATOM 1220 CG PRO A 76 -21.919 -2.938 6.606 1.00 0.00 C ATOM 1221 CD PRO A 76 -20.621 -3.682 6.499 1.00 0.00 C ATOM 0 HA PRO A 76 -22.476 -5.718 4.975 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -23.741 -3.228 5.520 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -23.429 -4.450 6.738 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -21.863 -1.980 6.089 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -22.161 -2.724 7.647 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -19.771 -3.003 6.430 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -20.449 -4.321 7.365 1.00 0.00 H new ATOM 1229 N ASP A 77 -22.267 -5.071 2.568 1.00 0.00 N ATOM 1230 CA ASP A 77 -22.524 -4.800 1.148 1.00 0.00 C ATOM 1231 C ASP A 77 -21.291 -4.220 0.455 1.00 0.00 C ATOM 1232 O ASP A 77 -21.363 -3.794 -0.697 1.00 0.00 O ATOM 1233 CB ASP A 77 -23.717 -3.853 0.965 1.00 0.00 C ATOM 1234 CG ASP A 77 -24.438 -4.079 -0.348 1.00 0.00 C ATOM 1235 OD1 ASP A 77 -24.300 -5.181 -0.920 1.00 0.00 O ATOM 1236 OD2 ASP A 77 -25.142 -3.153 -0.806 1.00 0.00 O ATOM 0 H ASP A 77 -21.858 -5.989 2.742 1.00 0.00 H new ATOM 0 HA ASP A 77 -22.764 -5.756 0.683 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -24.417 -3.991 1.789 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -23.369 -2.821 1.012 1.00 0.00 H new ATOM 1241 N ARG A 78 -20.159 -4.213 1.155 1.00 0.00 N ATOM 1242 CA ARG A 78 -18.918 -3.692 0.592 1.00 0.00 C ATOM 1243 C ARG A 78 -17.743 -4.601 0.939 1.00 0.00 C ATOM 1244 O ARG A 78 -17.134 -4.465 1.998 1.00 0.00 O ATOM 1245 CB ARG A 78 -18.652 -2.277 1.110 1.00 0.00 C ATOM 1246 CG ARG A 78 -17.751 -1.455 0.201 1.00 0.00 C ATOM 1247 CD ARG A 78 -16.508 -0.971 0.933 1.00 0.00 C ATOM 1248 NE ARG A 78 -16.080 0.348 0.474 1.00 0.00 N ATOM 1249 CZ ARG A 78 -14.861 0.843 0.673 1.00 0.00 C ATOM 1250 NH1 ARG A 78 -13.946 0.132 1.323 1.00 0.00 N ATOM 1251 NH2 ARG A 78 -14.554 2.052 0.222 1.00 0.00 N ATOM 0 H ARG A 78 -20.076 -4.561 2.110 1.00 0.00 H new ATOM 0 HA ARG A 78 -19.024 -3.660 -0.492 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -19.603 -1.758 1.230 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -18.196 -2.341 2.098 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -17.456 -2.055 -0.660 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -18.305 -0.598 -0.183 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -16.709 -0.934 2.004 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -15.699 -1.686 0.785 1.00 0.00 H new ATOM 0 HE ARG A 78 -16.755 0.924 -0.029 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -14.176 -0.798 1.672 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -13.013 0.516 1.473 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -15.252 2.603 -0.277 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -13.619 2.431 0.375 1.00 0.00 H new ATOM 1265 N HIS A 79 -17.425 -5.528 0.040 1.00 0.00 N ATOM 1266 CA HIS A 79 -16.321 -6.454 0.263 1.00 0.00 C ATOM 1267 C HIS A 79 -14.991 -5.807 -0.102 1.00 0.00 C ATOM 1268 O HIS A 79 -14.600 -5.784 -1.270 1.00 0.00 O ATOM 1269 CB HIS A 79 -16.526 -7.731 -0.554 1.00 0.00 C ATOM 1270 CG HIS A 79 -15.443 -8.747 -0.363 1.00 0.00 C ATOM 1271 ND1 HIS A 79 -14.573 -8.726 0.707 1.00 0.00 N ATOM 1272 CD2 HIS A 79 -15.091 -9.819 -1.111 1.00 0.00 C ATOM 1273 CE1 HIS A 79 -13.732 -9.741 0.609 1.00 0.00 C ATOM 1274 NE2 HIS A 79 -14.025 -10.419 -0.486 1.00 0.00 N ATOM 0 H HIS A 79 -17.914 -5.657 -0.846 1.00 0.00 H new ATOM 0 HA HIS A 79 -16.300 -6.711 1.322 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -17.483 -8.177 -0.281 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -16.585 -7.470 -1.611 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -15.561 -10.142 -2.028 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -12.941 -9.976 1.305 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -13.538 -11.253 -0.814 1.00 0.00 H new ATOM 1283 N ILE A 80 -14.297 -5.280 0.902 1.00 0.00 N ATOM 1284 CA ILE A 80 -13.016 -4.633 0.685 1.00 0.00 C ATOM 1285 C ILE A 80 -11.863 -5.580 1.010 1.00 0.00 C ATOM 1286 O ILE A 80 -11.638 -5.929 2.169 1.00 0.00 O ATOM 1287 CB ILE A 80 -12.890 -3.348 1.533 1.00 0.00 C ATOM 1288 CG1 ILE A 80 -11.457 -2.825 1.502 1.00 0.00 C ATOM 1289 CG2 ILE A 80 -13.329 -3.607 2.967 1.00 0.00 C ATOM 1290 CD1 ILE A 80 -11.330 -1.374 1.909 1.00 0.00 C ATOM 0 H ILE A 80 -14.605 -5.291 1.874 1.00 0.00 H new ATOM 0 HA ILE A 80 -12.963 -4.362 -0.369 1.00 0.00 H new ATOM 0 HB ILE A 80 -13.545 -2.590 1.104 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -10.843 -3.434 2.165 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -11.057 -2.947 0.496 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -13.233 -2.690 3.548 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -14.368 -3.935 2.976 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -12.700 -4.382 3.406 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -10.283 -1.073 1.863 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -11.916 -0.753 1.231 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -11.699 -1.248 2.927 1.00 0.00 H new ATOM 1302 N THR A 81 -11.130 -5.984 -0.021 1.00 0.00 N ATOM 1303 CA THR A 81 -9.994 -6.880 0.150 1.00 0.00 C ATOM 1304 C THR A 81 -8.699 -6.079 0.209 1.00 0.00 C ATOM 1305 O THR A 81 -8.351 -5.382 -0.740 1.00 0.00 O ATOM 1306 CB THR A 81 -9.938 -7.887 -1.002 1.00 0.00 C ATOM 1307 OG1 THR A 81 -10.854 -7.534 -2.024 1.00 0.00 O ATOM 1308 CG2 THR A 81 -10.252 -9.304 -0.577 1.00 0.00 C ATOM 0 H THR A 81 -11.303 -5.704 -0.986 1.00 0.00 H new ATOM 0 HA THR A 81 -10.114 -7.424 1.087 1.00 0.00 H new ATOM 0 HB THR A 81 -8.910 -7.852 -1.362 1.00 0.00 H new ATOM 0 HG1 THR A 81 -11.163 -8.344 -2.480 1.00 0.00 H new ATOM 0 HG21 THR A 81 -10.194 -9.965 -1.442 1.00 0.00 H new ATOM 0 HG22 THR A 81 -9.531 -9.627 0.175 1.00 0.00 H new ATOM 0 HG23 THR A 81 -11.257 -9.344 -0.157 1.00 0.00 H new ATOM 1316 N LEU A 82 -7.991 -6.171 1.328 1.00 0.00 N ATOM 1317 CA LEU A 82 -6.744 -5.434 1.492 1.00 0.00 C ATOM 1318 C LEU A 82 -5.531 -6.351 1.395 1.00 0.00 C ATOM 1319 O LEU A 82 -5.314 -7.206 2.252 1.00 0.00 O ATOM 1320 CB LEU A 82 -6.733 -4.714 2.840 1.00 0.00 C ATOM 1321 CG LEU A 82 -7.562 -3.432 2.900 1.00 0.00 C ATOM 1322 CD1 LEU A 82 -7.586 -2.884 4.317 1.00 0.00 C ATOM 1323 CD2 LEU A 82 -7.011 -2.393 1.933 1.00 0.00 C ATOM 0 H LEU A 82 -8.256 -6.744 2.129 1.00 0.00 H new ATOM 0 HA LEU A 82 -6.684 -4.705 0.684 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -7.099 -5.400 3.603 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -5.701 -4.473 3.097 1.00 0.00 H new ATOM 0 HG LEU A 82 -8.584 -3.667 2.603 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -8.180 -1.971 4.344 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -8.027 -3.623 4.986 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -6.568 -2.664 4.639 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -7.614 -1.487 1.990 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -5.980 -2.160 2.198 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -7.044 -2.788 0.917 1.00 0.00 H new ATOM 1335 N TRP A 83 -4.726 -6.146 0.357 1.00 0.00 N ATOM 1336 CA TRP A 83 -3.518 -6.935 0.164 1.00 0.00 C ATOM 1337 C TRP A 83 -2.294 -6.084 0.487 1.00 0.00 C ATOM 1338 O TRP A 83 -2.090 -5.036 -0.120 1.00 0.00 O ATOM 1339 CB TRP A 83 -3.411 -7.435 -1.283 1.00 0.00 C ATOM 1340 CG TRP A 83 -4.651 -8.090 -1.821 1.00 0.00 C ATOM 1341 CD1 TRP A 83 -5.816 -8.347 -1.154 1.00 0.00 C ATOM 1342 CD2 TRP A 83 -4.842 -8.576 -3.155 1.00 0.00 C ATOM 1343 NE1 TRP A 83 -6.714 -8.963 -1.991 1.00 0.00 N ATOM 1344 CE2 TRP A 83 -6.140 -9.113 -3.225 1.00 0.00 C ATOM 1345 CE3 TRP A 83 -4.038 -8.606 -4.299 1.00 0.00 C ATOM 1346 CZ2 TRP A 83 -6.653 -9.676 -4.392 1.00 0.00 C ATOM 1347 CZ3 TRP A 83 -4.548 -9.164 -5.457 1.00 0.00 C ATOM 1348 CH2 TRP A 83 -5.844 -9.692 -5.496 1.00 0.00 C ATOM 0 H TRP A 83 -4.890 -5.441 -0.362 1.00 0.00 H new ATOM 0 HA TRP A 83 -3.565 -7.797 0.830 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -3.156 -6.592 -1.925 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -2.586 -8.145 -1.346 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -6.003 -8.101 -0.119 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -7.655 -9.260 -1.735 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -3.037 -8.201 -4.278 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -7.652 -10.085 -4.424 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -3.936 -9.193 -6.346 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -6.213 -10.121 -6.416 1.00 0.00 H new ATOM 1359 N PHE A 84 -1.475 -6.531 1.433 1.00 0.00 N ATOM 1360 CA PHE A 84 -0.275 -5.783 1.801 1.00 0.00 C ATOM 1361 C PHE A 84 0.976 -6.564 1.403 1.00 0.00 C ATOM 1362 O PHE A 84 1.284 -7.602 1.989 1.00 0.00 O ATOM 1363 CB PHE A 84 -0.256 -5.474 3.305 1.00 0.00 C ATOM 1364 CG PHE A 84 -1.036 -4.245 3.695 1.00 0.00 C ATOM 1365 CD1 PHE A 84 -2.244 -3.948 3.083 1.00 0.00 C ATOM 1366 CD2 PHE A 84 -0.567 -3.387 4.686 1.00 0.00 C ATOM 1367 CE1 PHE A 84 -2.966 -2.827 3.444 1.00 0.00 C ATOM 1368 CE2 PHE A 84 -1.287 -2.267 5.050 1.00 0.00 C ATOM 1369 CZ PHE A 84 -2.487 -1.986 4.428 1.00 0.00 C ATOM 0 H PHE A 84 -1.616 -7.396 1.954 1.00 0.00 H new ATOM 0 HA PHE A 84 -0.287 -4.835 1.263 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -0.657 -6.331 3.845 1.00 0.00 H new ATOM 0 HB3 PHE A 84 0.778 -5.351 3.626 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -2.626 -4.602 2.313 1.00 0.00 H new ATOM 0 HD2 PHE A 84 0.372 -3.600 5.176 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -3.905 -2.609 2.957 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -0.912 -1.611 5.821 1.00 0.00 H new ATOM 0 HZ PHE A 84 -3.050 -1.109 4.711 1.00 0.00 H new ATOM 1379 N TRP A 85 1.685 -6.066 0.392 1.00 0.00 N ATOM 1380 CA TRP A 85 2.893 -6.725 -0.098 1.00 0.00 C ATOM 1381 C TRP A 85 4.150 -6.146 0.547 1.00 0.00 C ATOM 1382 O TRP A 85 4.194 -4.966 0.893 1.00 0.00 O ATOM 1383 CB TRP A 85 2.974 -6.614 -1.621 1.00 0.00 C ATOM 1384 CG TRP A 85 1.970 -7.482 -2.316 1.00 0.00 C ATOM 1385 CD1 TRP A 85 0.623 -7.502 -2.102 1.00 0.00 C ATOM 1386 CD2 TRP A 85 2.232 -8.463 -3.327 1.00 0.00 C ATOM 1387 NE1 TRP A 85 0.029 -8.434 -2.916 1.00 0.00 N ATOM 1388 CE2 TRP A 85 0.995 -9.037 -3.678 1.00 0.00 C ATOM 1389 CE3 TRP A 85 3.388 -8.910 -3.969 1.00 0.00 C ATOM 1390 CZ2 TRP A 85 0.886 -10.037 -4.643 1.00 0.00 C ATOM 1391 CZ3 TRP A 85 3.278 -9.901 -4.927 1.00 0.00 C ATOM 1392 CH2 TRP A 85 2.035 -10.454 -5.256 1.00 0.00 C ATOM 0 H TRP A 85 1.443 -5.208 -0.104 1.00 0.00 H new ATOM 0 HA TRP A 85 2.836 -7.778 0.179 1.00 0.00 H new ATOM 0 HB2 TRP A 85 2.817 -5.576 -1.915 1.00 0.00 H new ATOM 0 HB3 TRP A 85 3.976 -6.890 -1.949 1.00 0.00 H new ATOM 0 HD1 TRP A 85 0.100 -6.875 -1.395 1.00 0.00 H new ATOM 0 HE1 TRP A 85 -0.969 -8.644 -2.948 1.00 0.00 H new ATOM 0 HE3 TRP A 85 4.351 -8.489 -3.722 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 -0.072 -10.467 -4.897 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 4.166 -10.254 -5.430 1.00 0.00 H new ATOM 0 HH2 TRP A 85 1.982 -11.226 -6.010 1.00 0.00 H new ATOM 1403 N LEU A 86 5.168 -6.991 0.719 1.00 0.00 N ATOM 1404 CA LEU A 86 6.419 -6.561 1.339 1.00 0.00 C ATOM 1405 C LEU A 86 7.496 -6.275 0.292 1.00 0.00 C ATOM 1406 O LEU A 86 8.111 -7.188 -0.248 1.00 0.00 O ATOM 1407 CB LEU A 86 6.913 -7.629 2.315 1.00 0.00 C ATOM 1408 CG LEU A 86 8.283 -7.355 2.942 1.00 0.00 C ATOM 1409 CD1 LEU A 86 8.231 -6.109 3.811 1.00 0.00 C ATOM 1410 CD2 LEU A 86 8.745 -8.556 3.754 1.00 0.00 C ATOM 0 H LEU A 86 5.150 -7.972 0.439 1.00 0.00 H new ATOM 0 HA LEU A 86 6.222 -5.635 1.880 1.00 0.00 H new ATOM 0 HB2 LEU A 86 6.180 -7.735 3.115 1.00 0.00 H new ATOM 0 HB3 LEU A 86 6.955 -8.585 1.792 1.00 0.00 H new ATOM 0 HG LEU A 86 9.002 -7.184 2.141 1.00 0.00 H new ATOM 0 HD11 LEU A 86 9.213 -5.929 4.249 1.00 0.00 H new ATOM 0 HD12 LEU A 86 7.943 -5.252 3.202 1.00 0.00 H new ATOM 0 HD13 LEU A 86 7.500 -6.251 4.607 1.00 0.00 H new ATOM 0 HD21 LEU A 86 9.720 -8.345 4.193 1.00 0.00 H new ATOM 0 HD22 LEU A 86 8.026 -8.757 4.548 1.00 0.00 H new ATOM 0 HD23 LEU A 86 8.821 -9.428 3.104 1.00 0.00 H new ATOM 1422 N VAL A 87 7.723 -4.994 0.033 1.00 0.00 N ATOM 1423 CA VAL A 87 8.729 -4.545 -0.932 1.00 0.00 C ATOM 1424 C VAL A 87 10.098 -4.499 -0.308 1.00 0.00 C ATOM 1425 O VAL A 87 10.225 -4.210 0.882 1.00 0.00 O ATOM 1426 CB VAL A 87 8.414 -3.150 -1.450 1.00 0.00 C ATOM 1427 CG1 VAL A 87 9.362 -2.756 -2.570 1.00 0.00 C ATOM 1428 CG2 VAL A 87 6.967 -3.085 -1.900 1.00 0.00 C ATOM 0 H VAL A 87 7.216 -4.233 0.485 1.00 0.00 H new ATOM 0 HA VAL A 87 8.712 -5.263 -1.752 1.00 0.00 H new ATOM 0 HB VAL A 87 8.557 -2.433 -0.642 1.00 0.00 H new ATOM 0 HG11 VAL A 87 9.114 -1.754 -2.921 1.00 0.00 H new ATOM 0 HG12 VAL A 87 10.387 -2.767 -2.200 1.00 0.00 H new ATOM 0 HG13 VAL A 87 9.266 -3.463 -3.394 1.00 0.00 H new ATOM 0 HG21 VAL A 87 6.746 -2.084 -2.270 1.00 0.00 H new ATOM 0 HG22 VAL A 87 6.800 -3.811 -2.696 1.00 0.00 H new ATOM 0 HG23 VAL A 87 6.314 -3.313 -1.058 1.00 0.00 H new ATOM 1438 N GLU A 88 11.128 -4.800 -1.089 1.00 0.00 N ATOM 1439 CA GLU A 88 12.470 -4.787 -0.529 1.00 0.00 C ATOM 1440 C GLU A 88 13.380 -3.691 -1.101 1.00 0.00 C ATOM 1441 O GLU A 88 14.349 -3.304 -0.446 1.00 0.00 O ATOM 1442 CB GLU A 88 13.130 -6.157 -0.701 1.00 0.00 C ATOM 1443 CG GLU A 88 13.452 -6.504 -2.144 1.00 0.00 C ATOM 1444 CD GLU A 88 12.321 -7.247 -2.831 1.00 0.00 C ATOM 1445 OE1 GLU A 88 11.185 -6.728 -2.833 1.00 0.00 O ATOM 1446 OE2 GLU A 88 12.573 -8.347 -3.367 1.00 0.00 O ATOM 0 H GLU A 88 11.065 -5.047 -2.077 1.00 0.00 H new ATOM 0 HA GLU A 88 12.347 -4.556 0.529 1.00 0.00 H new ATOM 0 HB2 GLU A 88 14.050 -6.183 -0.117 1.00 0.00 H new ATOM 0 HB3 GLU A 88 12.470 -6.922 -0.291 1.00 0.00 H new ATOM 0 HG2 GLU A 88 13.668 -5.588 -2.695 1.00 0.00 H new ATOM 0 HG3 GLU A 88 14.354 -7.115 -2.174 1.00 0.00 H new ATOM 1453 N ARG A 89 13.103 -3.194 -2.305 1.00 0.00 N ATOM 1454 CA ARG A 89 13.951 -2.160 -2.892 1.00 0.00 C ATOM 1455 C ARG A 89 13.244 -1.451 -4.041 1.00 0.00 C ATOM 1456 O ARG A 89 12.264 -1.960 -4.582 1.00 0.00 O ATOM 1457 CB ARG A 89 15.274 -2.781 -3.363 1.00 0.00 C ATOM 1458 CG ARG A 89 16.018 -1.964 -4.410 1.00 0.00 C ATOM 1459 CD ARG A 89 17.366 -2.583 -4.743 1.00 0.00 C ATOM 1460 NE ARG A 89 18.418 -1.578 -4.870 1.00 0.00 N ATOM 1461 CZ ARG A 89 18.713 -0.947 -6.006 1.00 0.00 C ATOM 1462 NH1 ARG A 89 18.033 -1.206 -7.116 1.00 0.00 N ATOM 1463 NH2 ARG A 89 19.692 -0.053 -6.031 1.00 0.00 N ATOM 0 H ARG A 89 12.314 -3.484 -2.883 1.00 0.00 H new ATOM 0 HA ARG A 89 14.163 -1.411 -2.129 1.00 0.00 H new ATOM 0 HB2 ARG A 89 15.924 -2.919 -2.499 1.00 0.00 H new ATOM 0 HB3 ARG A 89 15.071 -3.771 -3.770 1.00 0.00 H new ATOM 0 HG2 ARG A 89 15.415 -1.894 -5.315 1.00 0.00 H new ATOM 0 HG3 ARG A 89 16.163 -0.947 -4.044 1.00 0.00 H new ATOM 0 HD2 ARG A 89 17.639 -3.296 -3.965 1.00 0.00 H new ATOM 0 HD3 ARG A 89 17.287 -3.143 -5.675 1.00 0.00 H new ATOM 0 HE ARG A 89 18.960 -1.345 -4.038 1.00 0.00 H new ATOM 0 HH11 ARG A 89 17.278 -1.892 -7.103 1.00 0.00 H new ATOM 0 HH12 ARG A 89 18.265 -0.719 -7.982 1.00 0.00 H new ATOM 0 HH21 ARG A 89 20.218 0.151 -5.181 1.00 0.00 H new ATOM 0 HH22 ARG A 89 19.919 0.431 -6.900 1.00 0.00 H new ATOM 1477 N TRP A 90 13.754 -0.279 -4.423 1.00 0.00 N ATOM 1478 CA TRP A 90 13.167 0.474 -5.521 1.00 0.00 C ATOM 1479 C TRP A 90 14.173 1.442 -6.143 1.00 0.00 C ATOM 1480 O TRP A 90 14.768 2.267 -5.448 1.00 0.00 O ATOM 1481 CB TRP A 90 11.896 1.199 -5.049 1.00 0.00 C ATOM 1482 CG TRP A 90 12.103 2.602 -4.569 1.00 0.00 C ATOM 1483 CD1 TRP A 90 12.441 3.688 -5.323 1.00 0.00 C ATOM 1484 CD2 TRP A 90 11.953 3.072 -3.229 1.00 0.00 C ATOM 1485 NE1 TRP A 90 12.513 4.807 -4.530 1.00 0.00 N ATOM 1486 CE2 TRP A 90 12.217 4.454 -3.241 1.00 0.00 C ATOM 1487 CE3 TRP A 90 11.622 2.455 -2.018 1.00 0.00 C ATOM 1488 CZ2 TRP A 90 12.155 5.230 -2.090 1.00 0.00 C ATOM 1489 CZ3 TRP A 90 11.563 3.229 -0.875 1.00 0.00 C ATOM 1490 CH2 TRP A 90 11.825 4.605 -0.919 1.00 0.00 C ATOM 0 H TRP A 90 14.565 0.162 -3.990 1.00 0.00 H new ATOM 0 HA TRP A 90 12.886 -0.229 -6.305 1.00 0.00 H new ATOM 0 HB2 TRP A 90 11.180 1.215 -5.871 1.00 0.00 H new ATOM 0 HB3 TRP A 90 11.444 0.620 -4.244 1.00 0.00 H new ATOM 0 HD1 TRP A 90 12.625 3.670 -6.387 1.00 0.00 H new ATOM 0 HE1 TRP A 90 12.748 5.747 -4.849 1.00 0.00 H new ATOM 0 HE3 TRP A 90 11.417 1.395 -1.977 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 12.360 6.290 -2.119 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 11.311 2.766 0.068 1.00 0.00 H new ATOM 0 HH2 TRP A 90 11.765 5.184 -0.009 1.00 0.00 H new ATOM 1501 N GLU A 91 14.364 1.331 -7.461 1.00 0.00 N ATOM 1502 CA GLU A 91 15.301 2.194 -8.173 1.00 0.00 C ATOM 1503 C GLU A 91 14.721 3.590 -8.371 1.00 0.00 C ATOM 1504 O GLU A 91 13.505 3.763 -8.447 1.00 0.00 O ATOM 1505 CB GLU A 91 15.658 1.584 -9.530 1.00 0.00 C ATOM 1506 CG GLU A 91 16.630 0.420 -9.439 1.00 0.00 C ATOM 1507 CD GLU A 91 16.873 -0.244 -10.781 1.00 0.00 C ATOM 1508 OE1 GLU A 91 16.741 0.444 -11.815 1.00 0.00 O ATOM 1509 OE2 GLU A 91 17.194 -1.451 -10.798 1.00 0.00 O ATOM 0 H GLU A 91 13.882 0.653 -8.052 1.00 0.00 H new ATOM 0 HA GLU A 91 16.204 2.279 -7.568 1.00 0.00 H new ATOM 0 HB2 GLU A 91 14.744 1.245 -10.018 1.00 0.00 H new ATOM 0 HB3 GLU A 91 16.090 2.358 -10.164 1.00 0.00 H new ATOM 0 HG2 GLU A 91 17.579 0.775 -9.036 1.00 0.00 H new ATOM 0 HG3 GLU A 91 16.242 -0.318 -8.737 1.00 0.00 H new ATOM 1516 N GLY A 92 15.601 4.583 -8.455 1.00 0.00 N ATOM 1517 CA GLY A 92 15.162 5.954 -8.646 1.00 0.00 C ATOM 1518 C GLY A 92 14.137 6.388 -7.616 1.00 0.00 C ATOM 1519 O GLY A 92 14.316 6.162 -6.419 1.00 0.00 O ATOM 0 H GLY A 92 16.612 4.463 -8.394 1.00 0.00 H new ATOM 0 HA2 GLY A 92 16.025 6.618 -8.596 1.00 0.00 H new ATOM 0 HA3 GLY A 92 14.736 6.059 -9.644 1.00 0.00 H new ATOM 1523 N GLU A 93 13.060 7.012 -8.083 1.00 0.00 N ATOM 1524 CA GLU A 93 12.001 7.477 -7.193 1.00 0.00 C ATOM 1525 C GLU A 93 10.672 6.810 -7.540 1.00 0.00 C ATOM 1526 O GLU A 93 10.398 6.528 -8.707 1.00 0.00 O ATOM 1527 CB GLU A 93 11.863 8.998 -7.284 1.00 0.00 C ATOM 1528 CG GLU A 93 11.055 9.603 -6.147 1.00 0.00 C ATOM 1529 CD GLU A 93 11.366 11.071 -5.931 1.00 0.00 C ATOM 1530 OE1 GLU A 93 11.629 11.776 -6.927 1.00 0.00 O ATOM 1531 OE2 GLU A 93 11.346 11.516 -4.763 1.00 0.00 O ATOM 0 H GLU A 93 12.897 7.207 -9.071 1.00 0.00 H new ATOM 0 HA GLU A 93 12.269 7.205 -6.172 1.00 0.00 H new ATOM 0 HB2 GLU A 93 12.857 9.445 -7.291 1.00 0.00 H new ATOM 0 HB3 GLU A 93 11.391 9.256 -8.232 1.00 0.00 H new ATOM 0 HG2 GLU A 93 9.992 9.487 -6.359 1.00 0.00 H new ATOM 0 HG3 GLU A 93 11.258 9.053 -5.228 1.00 0.00 H new ATOM 1538 N PRO A 94 9.817 6.559 -6.531 1.00 0.00 N ATOM 1539 CA PRO A 94 8.510 5.938 -6.734 1.00 0.00 C ATOM 1540 C PRO A 94 7.508 6.929 -7.300 1.00 0.00 C ATOM 1541 O PRO A 94 7.343 8.025 -6.763 1.00 0.00 O ATOM 1542 CB PRO A 94 8.085 5.497 -5.321 1.00 0.00 C ATOM 1543 CG PRO A 94 9.244 5.807 -4.427 1.00 0.00 C ATOM 1544 CD PRO A 94 10.035 6.875 -5.119 1.00 0.00 C ATOM 0 HA PRO A 94 8.553 5.114 -7.446 1.00 0.00 H new ATOM 0 HB2 PRO A 94 7.190 6.029 -4.999 1.00 0.00 H new ATOM 0 HB3 PRO A 94 7.848 4.433 -5.299 1.00 0.00 H new ATOM 0 HG2 PRO A 94 8.901 6.148 -3.450 1.00 0.00 H new ATOM 0 HG3 PRO A 94 9.854 4.919 -4.259 1.00 0.00 H new ATOM 0 HD2 PRO A 94 9.679 7.873 -4.866 1.00 0.00 H new ATOM 0 HD3 PRO A 94 11.091 6.836 -4.852 1.00 0.00 H new ATOM 1552 N TRP A 95 6.836 6.554 -8.382 1.00 0.00 N ATOM 1553 CA TRP A 95 5.858 7.445 -8.983 1.00 0.00 C ATOM 1554 C TRP A 95 4.587 6.713 -9.389 1.00 0.00 C ATOM 1555 O TRP A 95 3.496 7.044 -8.925 1.00 0.00 O ATOM 1556 CB TRP A 95 6.449 8.177 -10.193 1.00 0.00 C ATOM 1557 CG TRP A 95 7.083 7.291 -11.236 1.00 0.00 C ATOM 1558 CD1 TRP A 95 8.394 6.923 -11.307 1.00 0.00 C ATOM 1559 CD2 TRP A 95 6.441 6.689 -12.370 1.00 0.00 C ATOM 1560 NE1 TRP A 95 8.614 6.147 -12.424 1.00 0.00 N ATOM 1561 CE2 TRP A 95 7.430 5.992 -13.093 1.00 0.00 C ATOM 1562 CE3 TRP A 95 5.128 6.673 -12.848 1.00 0.00 C ATOM 1563 CZ2 TRP A 95 7.147 5.297 -14.267 1.00 0.00 C ATOM 1564 CZ3 TRP A 95 4.847 5.979 -14.010 1.00 0.00 C ATOM 1565 CH2 TRP A 95 5.853 5.303 -14.710 1.00 0.00 C ATOM 0 H TRP A 95 6.948 5.656 -8.852 1.00 0.00 H new ATOM 0 HA TRP A 95 5.593 8.177 -8.220 1.00 0.00 H new ATOM 0 HB2 TRP A 95 5.658 8.759 -10.666 1.00 0.00 H new ATOM 0 HB3 TRP A 95 7.198 8.885 -9.838 1.00 0.00 H new ATOM 0 HD1 TRP A 95 9.152 7.200 -10.590 1.00 0.00 H new ATOM 0 HE1 TRP A 95 9.512 5.753 -12.706 1.00 0.00 H new ATOM 0 HE3 TRP A 95 4.345 7.195 -12.318 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 7.921 4.773 -14.807 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 3.834 5.958 -14.384 1.00 0.00 H new ATOM 0 HH2 TRP A 95 5.602 4.775 -15.618 1.00 0.00 H new ATOM 1576 N GLY A 96 4.732 5.726 -10.259 1.00 0.00 N ATOM 1577 CA GLY A 96 3.578 4.970 -10.721 1.00 0.00 C ATOM 1578 C GLY A 96 2.436 5.860 -11.179 1.00 0.00 C ATOM 1579 O GLY A 96 2.401 6.293 -12.331 1.00 0.00 O ATOM 0 H GLY A 96 5.625 5.432 -10.655 1.00 0.00 H new ATOM 0 HA2 GLY A 96 3.880 4.322 -11.544 1.00 0.00 H new ATOM 0 HA3 GLY A 96 3.228 4.323 -9.917 1.00 0.00 H new ATOM 1583 N LYS A 97 1.497 6.128 -10.272 1.00 0.00 N ATOM 1584 CA LYS A 97 0.339 6.969 -10.578 1.00 0.00 C ATOM 1585 C LYS A 97 -0.740 6.833 -9.503 1.00 0.00 C ATOM 1586 O LYS A 97 -1.933 6.895 -9.799 1.00 0.00 O ATOM 1587 CB LYS A 97 -0.246 6.609 -11.950 1.00 0.00 C ATOM 1588 CG LYS A 97 -0.029 7.681 -13.004 1.00 0.00 C ATOM 1589 CD LYS A 97 -0.804 8.948 -12.677 1.00 0.00 C ATOM 1590 CE LYS A 97 -0.604 10.014 -13.742 1.00 0.00 C ATOM 1591 NZ LYS A 97 0.440 11.001 -13.352 1.00 0.00 N ATOM 0 H LYS A 97 1.516 5.774 -9.316 1.00 0.00 H new ATOM 0 HA LYS A 97 0.680 8.004 -10.599 1.00 0.00 H new ATOM 0 HB2 LYS A 97 0.203 5.677 -12.294 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -1.315 6.427 -11.843 1.00 0.00 H new ATOM 0 HG2 LYS A 97 1.034 7.912 -13.077 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -0.341 7.304 -13.978 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -1.865 8.714 -12.589 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -0.482 9.334 -11.710 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -0.322 9.539 -14.682 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -1.546 10.533 -13.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 0.546 11.711 -14.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 0.159 11.473 -12.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 1.346 10.510 -13.209 1.00 0.00 H new ATOM 1605 N GLU A 98 -0.317 6.649 -8.255 1.00 0.00 N ATOM 1606 CA GLU A 98 -1.253 6.509 -7.146 1.00 0.00 C ATOM 1607 C GLU A 98 -2.028 7.804 -6.938 1.00 0.00 C ATOM 1608 O GLU A 98 -3.207 7.786 -6.582 1.00 0.00 O ATOM 1609 CB GLU A 98 -0.507 6.121 -5.865 1.00 0.00 C ATOM 1610 CG GLU A 98 0.724 5.262 -6.110 1.00 0.00 C ATOM 1611 CD GLU A 98 2.016 5.962 -5.730 1.00 0.00 C ATOM 1612 OE1 GLU A 98 2.002 7.203 -5.597 1.00 0.00 O ATOM 1613 OE2 GLU A 98 3.040 5.267 -5.565 1.00 0.00 O ATOM 0 H GLU A 98 0.666 6.594 -7.988 1.00 0.00 H new ATOM 0 HA GLU A 98 -1.962 5.717 -7.388 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -0.207 7.028 -5.341 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -1.189 5.583 -5.207 1.00 0.00 H new ATOM 0 HG2 GLU A 98 0.636 4.338 -5.539 1.00 0.00 H new ATOM 0 HG3 GLU A 98 0.763 4.984 -7.163 1.00 0.00 H new ATOM 1620 N GLY A 99 -1.359 8.928 -7.175 1.00 0.00 N ATOM 1621 CA GLY A 99 -1.999 10.224 -7.024 1.00 0.00 C ATOM 1622 C GLY A 99 -1.807 10.827 -5.646 1.00 0.00 C ATOM 1623 O GLY A 99 -2.576 11.694 -5.234 1.00 0.00 O ATOM 0 H GLY A 99 -0.383 8.965 -7.470 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -1.600 10.909 -7.772 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -3.066 10.121 -7.223 1.00 0.00 H new ATOM 1627 N GLN A 100 -0.783 10.373 -4.932 1.00 0.00 N ATOM 1628 CA GLN A 100 -0.506 10.885 -3.595 1.00 0.00 C ATOM 1629 C GLN A 100 0.990 11.053 -3.366 1.00 0.00 C ATOM 1630 O GLN A 100 1.672 10.126 -2.930 1.00 0.00 O ATOM 1631 CB GLN A 100 -1.100 9.956 -2.535 1.00 0.00 C ATOM 1632 CG GLN A 100 -2.572 10.213 -2.256 1.00 0.00 C ATOM 1633 CD GLN A 100 -3.482 9.557 -3.276 1.00 0.00 C ATOM 1634 OE1 GLN A 100 -4.229 10.232 -3.985 1.00 0.00 O ATOM 1635 NE2 GLN A 100 -3.425 8.232 -3.354 1.00 0.00 N ATOM 0 H GLN A 100 -0.134 9.655 -5.254 1.00 0.00 H new ATOM 0 HA GLN A 100 -0.973 11.866 -3.510 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -0.975 8.923 -2.859 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -0.538 10.070 -1.608 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -2.820 9.842 -1.262 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -2.755 11.288 -2.250 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -2.791 7.712 -2.747 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -4.015 7.735 -4.021 1.00 0.00 H new ATOM 1644 N PRO A 101 1.518 12.254 -3.650 1.00 0.00 N ATOM 1645 CA PRO A 101 2.937 12.560 -3.465 1.00 0.00 C ATOM 1646 C PRO A 101 3.478 12.029 -2.140 1.00 0.00 C ATOM 1647 O PRO A 101 2.868 12.225 -1.089 1.00 0.00 O ATOM 1648 CB PRO A 101 2.939 14.084 -3.467 1.00 0.00 C ATOM 1649 CG PRO A 101 1.838 14.447 -4.397 1.00 0.00 C ATOM 1650 CD PRO A 101 0.767 13.417 -4.169 1.00 0.00 C ATOM 0 HA PRO A 101 3.569 12.104 -4.227 1.00 0.00 H new ATOM 0 HB2 PRO A 101 2.765 14.484 -2.468 1.00 0.00 H new ATOM 0 HB3 PRO A 101 3.895 14.481 -3.807 1.00 0.00 H new ATOM 0 HG2 PRO A 101 1.467 15.451 -4.193 1.00 0.00 H new ATOM 0 HG3 PRO A 101 2.179 14.437 -5.432 1.00 0.00 H new ATOM 0 HD2 PRO A 101 0.020 13.765 -3.455 1.00 0.00 H new ATOM 0 HD3 PRO A 101 0.238 13.175 -5.091 1.00 0.00 H new ATOM 1658 N GLY A 102 4.621 11.352 -2.196 1.00 0.00 N ATOM 1659 CA GLY A 102 5.212 10.802 -0.989 1.00 0.00 C ATOM 1660 C GLY A 102 6.702 11.076 -0.884 1.00 0.00 C ATOM 1661 O GLY A 102 7.302 11.655 -1.788 1.00 0.00 O ATOM 0 H GLY A 102 5.147 11.175 -3.052 1.00 0.00 H new ATOM 0 HA2 GLY A 102 4.708 11.223 -0.119 1.00 0.00 H new ATOM 0 HA3 GLY A 102 5.043 9.725 -0.965 1.00 0.00 H new ATOM 1665 N GLU A 103 7.296 10.652 0.229 1.00 0.00 N ATOM 1666 CA GLU A 103 8.723 10.843 0.464 1.00 0.00 C ATOM 1667 C GLU A 103 9.296 9.657 1.233 1.00 0.00 C ATOM 1668 O GLU A 103 8.564 8.940 1.915 1.00 0.00 O ATOM 1669 CB GLU A 103 8.967 12.138 1.241 1.00 0.00 C ATOM 1670 CG GLU A 103 8.352 12.137 2.631 1.00 0.00 C ATOM 1671 CD GLU A 103 7.056 12.920 2.697 1.00 0.00 C ATOM 1672 OE1 GLU A 103 6.168 12.670 1.854 1.00 0.00 O ATOM 1673 OE2 GLU A 103 6.928 13.784 3.590 1.00 0.00 O ATOM 0 H GLU A 103 6.808 10.172 0.985 1.00 0.00 H new ATOM 0 HA GLU A 103 9.225 10.913 -0.501 1.00 0.00 H new ATOM 0 HB2 GLU A 103 10.041 12.303 1.328 1.00 0.00 H new ATOM 0 HB3 GLU A 103 8.561 12.975 0.673 1.00 0.00 H new ATOM 0 HG2 GLU A 103 8.167 11.109 2.941 1.00 0.00 H new ATOM 0 HG3 GLU A 103 9.064 12.560 3.339 1.00 0.00 H new ATOM 1680 N TRP A 104 10.606 9.446 1.123 1.00 0.00 N ATOM 1681 CA TRP A 104 11.248 8.332 1.819 1.00 0.00 C ATOM 1682 C TRP A 104 11.268 8.591 3.323 1.00 0.00 C ATOM 1683 O TRP A 104 12.033 9.423 3.810 1.00 0.00 O ATOM 1684 CB TRP A 104 12.683 8.113 1.303 1.00 0.00 C ATOM 1685 CG TRP A 104 12.880 8.493 -0.135 1.00 0.00 C ATOM 1686 CD1 TRP A 104 11.944 8.465 -1.130 1.00 0.00 C ATOM 1687 CD2 TRP A 104 14.092 8.960 -0.739 1.00 0.00 C ATOM 1688 NE1 TRP A 104 12.500 8.885 -2.314 1.00 0.00 N ATOM 1689 CE2 TRP A 104 13.817 9.194 -2.101 1.00 0.00 C ATOM 1690 CE3 TRP A 104 15.382 9.203 -0.262 1.00 0.00 C ATOM 1691 CZ2 TRP A 104 14.786 9.660 -2.986 1.00 0.00 C ATOM 1692 CZ3 TRP A 104 16.343 9.666 -1.142 1.00 0.00 C ATOM 1693 CH2 TRP A 104 16.040 9.889 -2.490 1.00 0.00 C ATOM 0 H TRP A 104 11.237 10.023 0.567 1.00 0.00 H new ATOM 0 HA TRP A 104 10.670 7.430 1.620 1.00 0.00 H new ATOM 0 HB2 TRP A 104 13.372 8.692 1.919 1.00 0.00 H new ATOM 0 HB3 TRP A 104 12.947 7.063 1.430 1.00 0.00 H new ATOM 0 HD1 TRP A 104 10.916 8.157 -1.004 1.00 0.00 H new ATOM 0 HE1 TRP A 104 12.011 8.955 -3.207 1.00 0.00 H new ATOM 0 HE3 TRP A 104 15.625 9.032 0.776 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 14.556 9.834 -4.027 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 17.343 9.859 -0.783 1.00 0.00 H new ATOM 0 HH2 TRP A 104 16.813 10.250 -3.153 1.00 0.00 H new ATOM 1704 N MET A 105 10.419 7.871 4.052 1.00 0.00 N ATOM 1705 CA MET A 105 10.335 8.019 5.502 1.00 0.00 C ATOM 1706 C MET A 105 10.655 6.705 6.203 1.00 0.00 C ATOM 1707 O MET A 105 10.626 5.640 5.589 1.00 0.00 O ATOM 1708 CB MET A 105 8.943 8.503 5.916 1.00 0.00 C ATOM 1709 CG MET A 105 8.348 9.543 4.978 1.00 0.00 C ATOM 1710 SD MET A 105 6.789 9.009 4.242 1.00 0.00 S ATOM 1711 CE MET A 105 5.814 8.690 5.709 1.00 0.00 C ATOM 0 H MET A 105 9.779 7.179 3.662 1.00 0.00 H new ATOM 0 HA MET A 105 11.072 8.763 5.804 1.00 0.00 H new ATOM 0 HB2 MET A 105 8.271 7.646 5.966 1.00 0.00 H new ATOM 0 HB3 MET A 105 8.999 8.923 6.920 1.00 0.00 H new ATOM 0 HG2 MET A 105 8.187 10.471 5.527 1.00 0.00 H new ATOM 0 HG3 MET A 105 9.063 9.762 4.185 1.00 0.00 H new ATOM 0 HE1 MET A 105 4.754 8.735 5.458 1.00 0.00 H new ATOM 0 HE2 MET A 105 6.053 7.700 6.097 1.00 0.00 H new ATOM 0 HE3 MET A 105 6.040 9.440 6.466 1.00 0.00 H new ATOM 1721 N SER A 106 10.949 6.788 7.496 1.00 0.00 N ATOM 1722 CA SER A 106 11.267 5.602 8.283 1.00 0.00 C ATOM 1723 C SER A 106 9.997 4.836 8.646 1.00 0.00 C ATOM 1724 O SER A 106 9.150 5.336 9.386 1.00 0.00 O ATOM 1725 CB SER A 106 12.021 5.994 9.554 1.00 0.00 C ATOM 1726 OG SER A 106 12.847 4.934 10.005 1.00 0.00 O ATOM 0 H SER A 106 10.974 7.662 8.021 1.00 0.00 H new ATOM 0 HA SER A 106 11.902 4.954 7.679 1.00 0.00 H new ATOM 0 HB2 SER A 106 12.630 6.877 9.361 1.00 0.00 H new ATOM 0 HB3 SER A 106 11.309 6.262 10.335 1.00 0.00 H new ATOM 0 HG SER A 106 12.650 4.124 9.490 1.00 0.00 H new ATOM 1732 N LEU A 107 9.873 3.622 8.120 1.00 0.00 N ATOM 1733 CA LEU A 107 8.708 2.786 8.388 1.00 0.00 C ATOM 1734 C LEU A 107 8.822 2.097 9.744 1.00 0.00 C ATOM 1735 O LEU A 107 7.824 1.657 10.313 1.00 0.00 O ATOM 1736 CB LEU A 107 8.544 1.740 7.285 1.00 0.00 C ATOM 1737 CG LEU A 107 7.113 1.248 7.058 1.00 0.00 C ATOM 1738 CD1 LEU A 107 6.661 0.367 8.213 1.00 0.00 C ATOM 1739 CD2 LEU A 107 6.164 2.424 6.879 1.00 0.00 C ATOM 0 H LEU A 107 10.566 3.195 7.505 1.00 0.00 H new ATOM 0 HA LEU A 107 7.830 3.431 8.406 1.00 0.00 H new ATOM 0 HB2 LEU A 107 8.919 2.159 6.351 1.00 0.00 H new ATOM 0 HB3 LEU A 107 9.172 0.882 7.524 1.00 0.00 H new ATOM 0 HG LEU A 107 7.096 0.653 6.145 1.00 0.00 H new ATOM 0 HD11 LEU A 107 5.641 0.027 8.034 1.00 0.00 H new ATOM 0 HD12 LEU A 107 7.322 -0.496 8.293 1.00 0.00 H new ATOM 0 HD13 LEU A 107 6.695 0.938 9.141 1.00 0.00 H new ATOM 0 HD21 LEU A 107 5.152 2.053 6.719 1.00 0.00 H new ATOM 0 HD22 LEU A 107 6.185 3.048 7.773 1.00 0.00 H new ATOM 0 HD23 LEU A 107 6.475 3.014 6.017 1.00 0.00 H new ATOM 1751 N VAL A 108 10.045 2.006 10.260 1.00 0.00 N ATOM 1752 CA VAL A 108 10.288 1.369 11.550 1.00 0.00 C ATOM 1753 C VAL A 108 9.399 1.960 12.644 1.00 0.00 C ATOM 1754 O VAL A 108 9.183 1.333 13.681 1.00 0.00 O ATOM 1755 CB VAL A 108 11.764 1.502 11.971 1.00 0.00 C ATOM 1756 CG1 VAL A 108 12.146 2.965 12.138 1.00 0.00 C ATOM 1757 CG2 VAL A 108 12.030 0.724 13.250 1.00 0.00 C ATOM 0 H VAL A 108 10.883 2.366 9.804 1.00 0.00 H new ATOM 0 HA VAL A 108 10.044 0.314 11.428 1.00 0.00 H new ATOM 0 HB VAL A 108 12.384 1.078 11.181 1.00 0.00 H new ATOM 0 HG11 VAL A 108 13.192 3.036 12.435 1.00 0.00 H new ATOM 0 HG12 VAL A 108 12.001 3.489 11.193 1.00 0.00 H new ATOM 0 HG13 VAL A 108 11.519 3.419 12.905 1.00 0.00 H new ATOM 0 HG21 VAL A 108 13.078 0.831 13.530 1.00 0.00 H new ATOM 0 HG22 VAL A 108 11.399 1.112 14.050 1.00 0.00 H new ATOM 0 HG23 VAL A 108 11.804 -0.330 13.089 1.00 0.00 H new ATOM 1767 N GLY A 109 8.890 3.168 12.412 1.00 0.00 N ATOM 1768 CA GLY A 109 8.039 3.810 13.395 1.00 0.00 C ATOM 1769 C GLY A 109 6.724 4.292 12.811 1.00 0.00 C ATOM 1770 O GLY A 109 6.281 5.403 13.102 1.00 0.00 O ATOM 0 H GLY A 109 9.052 3.710 11.563 1.00 0.00 H new ATOM 0 HA2 GLY A 109 7.836 3.110 14.205 1.00 0.00 H new ATOM 0 HA3 GLY A 109 8.570 4.657 13.830 1.00 0.00 H new ATOM 1774 N LEU A 110 6.093 3.452 11.995 1.00 0.00 N ATOM 1775 CA LEU A 110 4.813 3.805 11.385 1.00 0.00 C ATOM 1776 C LEU A 110 3.758 4.009 12.465 1.00 0.00 C ATOM 1777 O LEU A 110 3.836 3.406 13.536 1.00 0.00 O ATOM 1778 CB LEU A 110 4.365 2.714 10.411 1.00 0.00 C ATOM 1779 CG LEU A 110 3.121 3.054 9.590 1.00 0.00 C ATOM 1780 CD1 LEU A 110 3.230 2.475 8.188 1.00 0.00 C ATOM 1781 CD2 LEU A 110 1.869 2.542 10.284 1.00 0.00 C ATOM 0 H LEU A 110 6.443 2.528 11.742 1.00 0.00 H new ATOM 0 HA LEU A 110 4.937 4.735 10.830 1.00 0.00 H new ATOM 0 HB2 LEU A 110 5.186 2.499 9.727 1.00 0.00 H new ATOM 0 HB3 LEU A 110 4.172 1.801 10.975 1.00 0.00 H new ATOM 0 HG LEU A 110 3.050 4.139 9.507 1.00 0.00 H new ATOM 0 HD11 LEU A 110 2.335 2.728 7.619 1.00 0.00 H new ATOM 0 HD12 LEU A 110 4.106 2.891 7.690 1.00 0.00 H new ATOM 0 HD13 LEU A 110 3.327 1.391 8.249 1.00 0.00 H new ATOM 0 HD21 LEU A 110 0.993 2.793 9.686 1.00 0.00 H new ATOM 0 HD22 LEU A 110 1.933 1.460 10.398 1.00 0.00 H new ATOM 0 HD23 LEU A 110 1.782 3.006 11.267 1.00 0.00 H new ATOM 1793 N ASN A 111 2.785 4.876 12.200 1.00 0.00 N ATOM 1794 CA ASN A 111 1.746 5.157 13.180 1.00 0.00 C ATOM 1795 C ASN A 111 0.346 4.881 12.652 1.00 0.00 C ATOM 1796 O ASN A 111 -0.033 5.345 11.576 1.00 0.00 O ATOM 1797 CB ASN A 111 1.848 6.608 13.647 1.00 0.00 C ATOM 1798 CG ASN A 111 2.190 6.723 15.119 1.00 0.00 C ATOM 1799 OD1 ASN A 111 3.319 7.053 15.482 1.00 0.00 O ATOM 1800 ND2 ASN A 111 1.213 6.451 15.976 1.00 0.00 N ATOM 0 H ASN A 111 2.696 5.390 11.324 1.00 0.00 H new ATOM 0 HA ASN A 111 1.910 4.481 14.019 1.00 0.00 H new ATOM 0 HB2 ASN A 111 2.609 7.122 13.060 1.00 0.00 H new ATOM 0 HB3 ASN A 111 0.902 7.115 13.457 1.00 0.00 H new ATOM 0 HD21 ASN A 111 1.383 6.512 16.980 1.00 0.00 H new ATOM 0 HD22 ASN A 111 0.292 6.181 15.631 1.00 0.00 H new ATOM 1807 N ALA A 112 -0.425 4.141 13.444 1.00 0.00 N ATOM 1808 CA ALA A 112 -1.799 3.818 13.098 1.00 0.00 C ATOM 1809 C ALA A 112 -2.690 5.057 13.236 1.00 0.00 C ATOM 1810 O ALA A 112 -3.822 5.082 12.755 1.00 0.00 O ATOM 1811 CB ALA A 112 -2.323 2.686 13.973 1.00 0.00 C ATOM 0 H ALA A 112 -0.115 3.753 14.335 1.00 0.00 H new ATOM 0 HA ALA A 112 -1.822 3.487 12.060 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -3.353 2.460 13.697 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -1.706 1.799 13.829 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -2.285 2.988 15.020 1.00 0.00 H new ATOM 1817 N ASP A 113 -2.175 6.081 13.920 1.00 0.00 N ATOM 1818 CA ASP A 113 -2.921 7.318 14.133 1.00 0.00 C ATOM 1819 C ASP A 113 -2.899 8.214 12.893 1.00 0.00 C ATOM 1820 O ASP A 113 -3.939 8.700 12.453 1.00 0.00 O ATOM 1821 CB ASP A 113 -2.348 8.079 15.331 1.00 0.00 C ATOM 1822 CG ASP A 113 -3.198 9.273 15.717 1.00 0.00 C ATOM 1823 OD1 ASP A 113 -3.568 10.055 14.816 1.00 0.00 O ATOM 1824 OD2 ASP A 113 -3.494 9.427 16.920 1.00 0.00 O ATOM 0 H ASP A 113 -1.243 6.076 14.335 1.00 0.00 H new ATOM 0 HA ASP A 113 -3.958 7.046 14.333 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -2.267 7.403 16.182 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -1.339 8.416 15.095 1.00 0.00 H new ATOM 1829 N ASP A 114 -1.706 8.437 12.337 1.00 0.00 N ATOM 1830 CA ASP A 114 -1.563 9.286 11.153 1.00 0.00 C ATOM 1831 C ASP A 114 -2.222 8.645 9.939 1.00 0.00 C ATOM 1832 O ASP A 114 -2.818 9.331 9.111 1.00 0.00 O ATOM 1833 CB ASP A 114 -0.088 9.587 10.838 1.00 0.00 C ATOM 1834 CG ASP A 114 0.895 8.876 11.751 1.00 0.00 C ATOM 1835 OD1 ASP A 114 0.990 9.261 12.935 1.00 0.00 O ATOM 1836 OD2 ASP A 114 1.569 7.937 11.279 1.00 0.00 O ATOM 0 H ASP A 114 -0.831 8.045 12.685 1.00 0.00 H new ATOM 0 HA ASP A 114 -2.064 10.227 11.379 1.00 0.00 H new ATOM 0 HB2 ASP A 114 0.118 9.302 9.806 1.00 0.00 H new ATOM 0 HB3 ASP A 114 0.077 10.662 10.911 1.00 0.00 H new ATOM 1841 N PHE A 115 -2.110 7.328 9.838 1.00 0.00 N ATOM 1842 CA PHE A 115 -2.697 6.594 8.724 1.00 0.00 C ATOM 1843 C PHE A 115 -4.193 6.367 8.971 1.00 0.00 C ATOM 1844 O PHE A 115 -4.699 6.677 10.051 1.00 0.00 O ATOM 1845 CB PHE A 115 -1.954 5.259 8.538 1.00 0.00 C ATOM 1846 CG PHE A 115 -2.695 4.063 9.056 1.00 0.00 C ATOM 1847 CD1 PHE A 115 -3.253 4.092 10.314 1.00 0.00 C ATOM 1848 CD2 PHE A 115 -2.834 2.921 8.288 1.00 0.00 C ATOM 1849 CE1 PHE A 115 -3.939 3.006 10.811 1.00 0.00 C ATOM 1850 CE2 PHE A 115 -3.520 1.828 8.776 1.00 0.00 C ATOM 1851 CZ PHE A 115 -4.072 1.872 10.041 1.00 0.00 C ATOM 0 H PHE A 115 -1.618 6.745 10.514 1.00 0.00 H new ATOM 0 HA PHE A 115 -2.594 7.176 7.808 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -1.751 5.114 7.477 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -0.989 5.320 9.042 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -3.151 4.980 10.921 1.00 0.00 H new ATOM 0 HD2 PHE A 115 -2.402 2.885 7.299 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -4.371 3.044 11.800 1.00 0.00 H new ATOM 0 HE2 PHE A 115 -3.625 0.940 8.170 1.00 0.00 H new ATOM 0 HZ PHE A 115 -4.608 1.017 10.426 1.00 0.00 H new ATOM 1861 N PRO A 116 -4.923 5.812 7.987 1.00 0.00 N ATOM 1862 CA PRO A 116 -6.358 5.543 8.138 1.00 0.00 C ATOM 1863 C PRO A 116 -6.617 4.384 9.104 1.00 0.00 C ATOM 1864 O PRO A 116 -6.045 3.307 8.951 1.00 0.00 O ATOM 1865 CB PRO A 116 -6.801 5.173 6.723 1.00 0.00 C ATOM 1866 CG PRO A 116 -5.573 4.641 6.066 1.00 0.00 C ATOM 1867 CD PRO A 116 -4.416 5.394 6.667 1.00 0.00 C ATOM 0 HA PRO A 116 -6.899 6.394 8.553 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -7.595 4.427 6.740 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -7.190 6.041 6.191 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -5.472 3.570 6.239 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -5.614 4.787 4.987 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -3.531 4.764 6.758 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -4.135 6.251 6.056 1.00 0.00 H new ATOM 1875 N PRO A 117 -7.480 4.591 10.118 1.00 0.00 N ATOM 1876 CA PRO A 117 -7.796 3.553 11.112 1.00 0.00 C ATOM 1877 C PRO A 117 -8.478 2.328 10.506 1.00 0.00 C ATOM 1878 O PRO A 117 -8.561 1.278 11.143 1.00 0.00 O ATOM 1879 CB PRO A 117 -8.744 4.262 12.086 1.00 0.00 C ATOM 1880 CG PRO A 117 -9.296 5.413 11.319 1.00 0.00 C ATOM 1881 CD PRO A 117 -8.205 5.844 10.384 1.00 0.00 C ATOM 0 HA PRO A 117 -6.891 3.163 11.577 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -9.538 3.594 12.421 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -8.214 4.599 12.977 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -10.191 5.122 10.768 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -9.583 6.226 11.986 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -8.607 6.279 9.469 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -7.559 6.595 10.838 1.00 0.00 H new ATOM 1889 N ALA A 118 -8.969 2.466 9.280 1.00 0.00 N ATOM 1890 CA ALA A 118 -9.647 1.366 8.601 1.00 0.00 C ATOM 1891 C ALA A 118 -8.673 0.278 8.160 1.00 0.00 C ATOM 1892 O ALA A 118 -9.087 -0.791 7.713 1.00 0.00 O ATOM 1893 CB ALA A 118 -10.433 1.888 7.408 1.00 0.00 C ATOM 0 H ALA A 118 -8.911 3.327 8.736 1.00 0.00 H new ATOM 0 HA ALA A 118 -10.336 0.915 9.316 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -10.934 1.057 6.911 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -11.177 2.608 7.749 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -9.753 2.373 6.708 1.00 0.00 H new ATOM 1899 N ASN A 119 -7.382 0.562 8.267 1.00 0.00 N ATOM 1900 CA ASN A 119 -6.355 -0.387 7.859 1.00 0.00 C ATOM 1901 C ASN A 119 -5.444 -0.757 9.031 1.00 0.00 C ATOM 1902 O ASN A 119 -4.256 -1.020 8.843 1.00 0.00 O ATOM 1903 CB ASN A 119 -5.535 0.235 6.732 1.00 0.00 C ATOM 1904 CG ASN A 119 -6.010 -0.188 5.355 1.00 0.00 C ATOM 1905 OD1 ASN A 119 -5.212 -0.571 4.500 1.00 0.00 O ATOM 1906 ND2 ASN A 119 -7.316 -0.111 5.128 1.00 0.00 N ATOM 0 H ASN A 119 -7.021 1.443 8.633 1.00 0.00 H new ATOM 0 HA ASN A 119 -6.834 -1.303 7.514 1.00 0.00 H new ATOM 0 HB2 ASN A 119 -5.584 1.321 6.810 1.00 0.00 H new ATOM 0 HB3 ASN A 119 -4.489 -0.046 6.852 1.00 0.00 H new ATOM 0 HD21 ASN A 119 -7.692 -0.375 4.217 1.00 0.00 H new ATOM 0 HD22 ASN A 119 -7.943 0.212 5.864 1.00 0.00 H new ATOM 1913 N GLU A 120 -6.001 -0.760 10.239 1.00 0.00 N ATOM 1914 CA GLU A 120 -5.226 -1.078 11.439 1.00 0.00 C ATOM 1915 C GLU A 120 -4.937 -2.574 11.568 1.00 0.00 C ATOM 1916 O GLU A 120 -3.813 -2.959 11.877 1.00 0.00 O ATOM 1917 CB GLU A 120 -5.949 -0.569 12.689 1.00 0.00 C ATOM 1918 CG GLU A 120 -5.190 0.523 13.425 1.00 0.00 C ATOM 1919 CD GLU A 120 -6.083 1.335 14.344 1.00 0.00 C ATOM 1920 OE1 GLU A 120 -6.994 2.020 13.834 1.00 0.00 O ATOM 1921 OE2 GLU A 120 -5.871 1.285 15.573 1.00 0.00 O ATOM 0 H GLU A 120 -6.983 -0.547 10.415 1.00 0.00 H new ATOM 0 HA GLU A 120 -4.266 -0.572 11.344 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -6.930 -0.189 12.403 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -6.117 -1.405 13.368 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -4.387 0.072 14.009 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -4.722 1.188 12.699 1.00 0.00 H new ATOM 1928 N PRO A 121 -5.937 -3.444 11.343 1.00 0.00 N ATOM 1929 CA PRO A 121 -5.751 -4.897 11.452 1.00 0.00 C ATOM 1930 C PRO A 121 -4.467 -5.376 10.782 1.00 0.00 C ATOM 1931 O PRO A 121 -3.802 -6.288 11.275 1.00 0.00 O ATOM 1932 CB PRO A 121 -6.976 -5.453 10.732 1.00 0.00 C ATOM 1933 CG PRO A 121 -8.031 -4.423 10.944 1.00 0.00 C ATOM 1934 CD PRO A 121 -7.323 -3.093 10.974 1.00 0.00 C ATOM 0 HA PRO A 121 -5.659 -5.224 12.488 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -6.778 -5.606 9.671 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -7.274 -6.418 11.143 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -8.770 -4.452 10.143 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -8.566 -4.600 11.877 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -7.366 -2.594 10.006 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -7.772 -2.416 11.701 1.00 0.00 H new ATOM 1942 N VAL A 122 -4.117 -4.749 9.668 1.00 0.00 N ATOM 1943 CA VAL A 122 -2.906 -5.100 8.942 1.00 0.00 C ATOM 1944 C VAL A 122 -1.690 -4.516 9.641 1.00 0.00 C ATOM 1945 O VAL A 122 -0.673 -5.189 9.815 1.00 0.00 O ATOM 1946 CB VAL A 122 -2.938 -4.587 7.491 1.00 0.00 C ATOM 1947 CG1 VAL A 122 -1.851 -5.259 6.668 1.00 0.00 C ATOM 1948 CG2 VAL A 122 -4.306 -4.810 6.865 1.00 0.00 C ATOM 0 H VAL A 122 -4.656 -3.993 9.247 1.00 0.00 H new ATOM 0 HA VAL A 122 -2.846 -6.188 8.923 1.00 0.00 H new ATOM 0 HB VAL A 122 -2.748 -3.514 7.503 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -1.887 -4.886 5.644 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -0.876 -5.036 7.102 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -2.010 -6.337 6.667 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -4.302 -4.439 5.840 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -4.537 -5.875 6.864 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -5.061 -4.276 7.441 1.00 0.00 H new ATOM 1958 N ILE A 123 -1.807 -3.256 10.043 1.00 0.00 N ATOM 1959 CA ILE A 123 -0.724 -2.572 10.728 1.00 0.00 C ATOM 1960 C ILE A 123 -0.496 -3.164 12.110 1.00 0.00 C ATOM 1961 O ILE A 123 0.623 -3.187 12.600 1.00 0.00 O ATOM 1962 CB ILE A 123 -0.997 -1.064 10.865 1.00 0.00 C ATOM 1963 CG1 ILE A 123 -1.211 -0.438 9.488 1.00 0.00 C ATOM 1964 CG2 ILE A 123 0.157 -0.382 11.586 1.00 0.00 C ATOM 1965 CD1 ILE A 123 0.079 -0.142 8.755 1.00 0.00 C ATOM 0 H ILE A 123 -2.644 -2.689 9.905 1.00 0.00 H new ATOM 0 HA ILE A 123 0.170 -2.711 10.120 1.00 0.00 H new ATOM 0 HB ILE A 123 -1.904 -0.925 11.454 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -1.818 -1.110 8.882 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -1.776 0.487 9.602 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -0.050 0.684 11.676 1.00 0.00 H new ATOM 0 HG22 ILE A 123 0.271 -0.815 12.580 1.00 0.00 H new ATOM 0 HG23 ILE A 123 1.077 -0.527 11.019 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -0.147 0.301 7.785 1.00 0.00 H new ATOM 0 HD12 ILE A 123 0.679 0.554 9.341 1.00 0.00 H new ATOM 0 HD13 ILE A 123 0.636 -1.068 8.610 1.00 0.00 H new ATOM 1977 N ALA A 124 -1.558 -3.651 12.736 1.00 0.00 N ATOM 1978 CA ALA A 124 -1.439 -4.247 14.059 1.00 0.00 C ATOM 1979 C ALA A 124 -0.391 -5.351 14.044 1.00 0.00 C ATOM 1980 O ALA A 124 0.240 -5.642 15.062 1.00 0.00 O ATOM 1981 CB ALA A 124 -2.782 -4.790 14.521 1.00 0.00 C ATOM 0 H ALA A 124 -2.504 -3.646 12.354 1.00 0.00 H new ATOM 0 HA ALA A 124 -1.123 -3.477 14.762 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -2.675 -5.232 15.512 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -3.508 -3.978 14.563 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -3.128 -5.550 13.820 1.00 0.00 H new ATOM 1987 N LYS A 125 -0.208 -5.961 12.876 1.00 0.00 N ATOM 1988 CA LYS A 125 0.770 -7.034 12.717 1.00 0.00 C ATOM 1989 C LYS A 125 2.190 -6.484 12.553 1.00 0.00 C ATOM 1990 O LYS A 125 3.118 -6.934 13.226 1.00 0.00 O ATOM 1991 CB LYS A 125 0.408 -7.904 11.512 1.00 0.00 C ATOM 1992 CG LYS A 125 -1.000 -8.475 11.573 1.00 0.00 C ATOM 1993 CD LYS A 125 -1.078 -9.664 12.518 1.00 0.00 C ATOM 1994 CE LYS A 125 -1.406 -9.227 13.937 1.00 0.00 C ATOM 1995 NZ LYS A 125 -2.854 -9.388 14.247 1.00 0.00 N ATOM 0 H LYS A 125 -0.723 -5.731 12.026 1.00 0.00 H new ATOM 0 HA LYS A 125 0.746 -7.639 13.623 1.00 0.00 H new ATOM 0 HB2 LYS A 125 0.512 -7.312 10.603 1.00 0.00 H new ATOM 0 HB3 LYS A 125 1.121 -8.725 11.440 1.00 0.00 H new ATOM 0 HG2 LYS A 125 -1.694 -7.701 11.902 1.00 0.00 H new ATOM 0 HG3 LYS A 125 -1.313 -8.781 10.575 1.00 0.00 H new ATOM 0 HD2 LYS A 125 -1.839 -10.361 12.166 1.00 0.00 H new ATOM 0 HD3 LYS A 125 -0.128 -10.199 12.511 1.00 0.00 H new ATOM 0 HE2 LYS A 125 -0.816 -9.812 14.643 1.00 0.00 H new ATOM 0 HE3 LYS A 125 -1.120 -8.184 14.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 -3.036 -9.079 15.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 -3.416 -8.810 13.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 -3.122 -10.388 14.144 1.00 0.00 H new ATOM 2009 N LEU A 126 2.355 -5.520 11.649 1.00 0.00 N ATOM 2010 CA LEU A 126 3.665 -4.921 11.389 1.00 0.00 C ATOM 2011 C LEU A 126 4.044 -3.910 12.466 1.00 0.00 C ATOM 2012 O LEU A 126 5.222 -3.720 12.768 1.00 0.00 O ATOM 2013 CB LEU A 126 3.672 -4.238 10.019 1.00 0.00 C ATOM 2014 CG LEU A 126 4.981 -4.363 9.236 1.00 0.00 C ATOM 2015 CD1 LEU A 126 5.409 -5.820 9.128 1.00 0.00 C ATOM 2016 CD2 LEU A 126 4.832 -3.743 7.854 1.00 0.00 C ATOM 0 H LEU A 126 1.598 -5.136 11.083 1.00 0.00 H new ATOM 0 HA LEU A 126 4.402 -5.724 11.402 1.00 0.00 H new ATOM 0 HB2 LEU A 126 2.866 -4.658 9.417 1.00 0.00 H new ATOM 0 HB3 LEU A 126 3.449 -3.180 10.157 1.00 0.00 H new ATOM 0 HG LEU A 126 5.758 -3.822 9.776 1.00 0.00 H new ATOM 0 HD11 LEU A 126 6.342 -5.885 8.568 1.00 0.00 H new ATOM 0 HD12 LEU A 126 5.557 -6.231 10.127 1.00 0.00 H new ATOM 0 HD13 LEU A 126 4.636 -6.389 8.612 1.00 0.00 H new ATOM 0 HD21 LEU A 126 5.771 -3.839 7.309 1.00 0.00 H new ATOM 0 HD22 LEU A 126 4.041 -4.257 7.308 1.00 0.00 H new ATOM 0 HD23 LEU A 126 4.577 -2.688 7.954 1.00 0.00 H new ATOM 2028 N LYS A 127 3.038 -3.262 13.038 1.00 0.00 N ATOM 2029 CA LYS A 127 3.251 -2.264 14.080 1.00 0.00 C ATOM 2030 C LYS A 127 4.082 -2.834 15.216 1.00 0.00 C ATOM 2031 O LYS A 127 4.998 -2.184 15.721 1.00 0.00 O ATOM 2032 CB LYS A 127 1.913 -1.787 14.617 1.00 0.00 C ATOM 2033 CG LYS A 127 2.017 -0.592 15.547 1.00 0.00 C ATOM 2034 CD LYS A 127 0.722 0.202 15.583 1.00 0.00 C ATOM 2035 CE LYS A 127 -0.325 -0.477 16.452 1.00 0.00 C ATOM 2036 NZ LYS A 127 -1.145 0.509 17.207 1.00 0.00 N ATOM 0 H LYS A 127 2.058 -3.411 12.796 1.00 0.00 H new ATOM 0 HA LYS A 127 3.792 -1.424 13.644 1.00 0.00 H new ATOM 0 HB2 LYS A 127 1.267 -1.528 13.778 1.00 0.00 H new ATOM 0 HB3 LYS A 127 1.432 -2.608 15.148 1.00 0.00 H new ATOM 0 HG2 LYS A 127 2.264 -0.933 16.552 1.00 0.00 H new ATOM 0 HG3 LYS A 127 2.832 0.054 15.221 1.00 0.00 H new ATOM 0 HD2 LYS A 127 0.919 1.204 15.965 1.00 0.00 H new ATOM 0 HD3 LYS A 127 0.336 0.317 14.570 1.00 0.00 H new ATOM 0 HE2 LYS A 127 -0.976 -1.087 15.826 1.00 0.00 H new ATOM 0 HE3 LYS A 127 0.167 -1.152 17.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 -1.846 0.006 17.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 -0.527 1.074 17.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 -1.635 1.137 16.539 1.00 0.00 H new ATOM 2050 N ARG A 128 3.767 -4.065 15.597 1.00 0.00 N ATOM 2051 CA ARG A 128 4.497 -4.740 16.656 1.00 0.00 C ATOM 2052 C ARG A 128 5.899 -5.099 16.171 1.00 0.00 C ATOM 2053 O ARG A 128 6.741 -5.547 16.950 1.00 0.00 O ATOM 2054 CB ARG A 128 3.747 -5.999 17.096 1.00 0.00 C ATOM 2055 CG ARG A 128 4.498 -6.830 18.125 1.00 0.00 C ATOM 2056 CD ARG A 128 3.633 -7.952 18.678 1.00 0.00 C ATOM 2057 NE ARG A 128 4.275 -9.257 18.541 1.00 0.00 N ATOM 2058 CZ ARG A 128 3.630 -10.416 18.649 1.00 0.00 C ATOM 2059 NH1 ARG A 128 2.324 -10.436 18.894 1.00 0.00 N ATOM 2060 NH2 ARG A 128 4.289 -11.557 18.511 1.00 0.00 N ATOM 0 H ARG A 128 3.011 -4.614 15.187 1.00 0.00 H new ATOM 0 HA ARG A 128 4.581 -4.071 17.512 1.00 0.00 H new ATOM 0 HB2 ARG A 128 2.781 -5.710 17.511 1.00 0.00 H new ATOM 0 HB3 ARG A 128 3.546 -6.616 16.220 1.00 0.00 H new ATOM 0 HG2 ARG A 128 5.394 -7.251 17.669 1.00 0.00 H new ATOM 0 HG3 ARG A 128 4.828 -6.188 18.942 1.00 0.00 H new ATOM 0 HD2 ARG A 128 3.421 -7.761 19.730 1.00 0.00 H new ATOM 0 HD3 ARG A 128 2.676 -7.962 18.157 1.00 0.00 H new ATOM 0 HE ARG A 128 5.277 -9.281 18.351 1.00 0.00 H new ATOM 0 HH11 ARG A 128 1.812 -9.560 19.000 1.00 0.00 H new ATOM 0 HH12 ARG A 128 1.834 -11.327 18.976 1.00 0.00 H new ATOM 0 HH21 ARG A 128 5.291 -11.547 18.322 1.00 0.00 H new ATOM 0 HH22 ARG A 128 3.794 -12.445 18.594 1.00 0.00 H new ATOM 2074 N LEU A 129 6.141 -4.892 14.876 1.00 0.00 N ATOM 2075 CA LEU A 129 7.438 -5.184 14.276 1.00 0.00 C ATOM 2076 C LEU A 129 7.946 -6.562 14.696 1.00 0.00 C ATOM 2077 O LEU A 129 8.445 -7.328 13.873 1.00 0.00 O ATOM 2078 CB LEU A 129 8.453 -4.111 14.671 1.00 0.00 C ATOM 2079 CG LEU A 129 7.910 -2.678 14.685 1.00 0.00 C ATOM 2080 CD1 LEU A 129 7.706 -2.198 16.114 1.00 0.00 C ATOM 2081 CD2 LEU A 129 8.847 -1.741 13.937 1.00 0.00 C ATOM 0 H LEU A 129 5.451 -4.522 14.222 1.00 0.00 H new ATOM 0 HA LEU A 129 7.315 -5.184 13.193 1.00 0.00 H new ATOM 0 HB2 LEU A 129 8.840 -4.346 15.662 1.00 0.00 H new ATOM 0 HB3 LEU A 129 9.295 -4.157 13.981 1.00 0.00 H new ATOM 0 HG LEU A 129 6.945 -2.674 14.179 1.00 0.00 H new ATOM 0 HD11 LEU A 129 7.320 -1.179 16.104 1.00 0.00 H new ATOM 0 HD12 LEU A 129 6.994 -2.851 16.619 1.00 0.00 H new ATOM 0 HD13 LEU A 129 8.658 -2.220 16.645 1.00 0.00 H new ATOM 0 HD21 LEU A 129 8.443 -0.729 13.959 1.00 0.00 H new ATOM 0 HD22 LEU A 129 9.828 -1.751 14.413 1.00 0.00 H new ATOM 0 HD23 LEU A 129 8.942 -2.071 12.903 1.00 0.00 H new