USER MOD reduce.3.24.130724 H: found=0, std=0, add=857, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 857 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 32 GLN : amide:sc= 0.056 X(o=0.11,f=-0.1) USER MOD Set 1.2: A 88 SER OG : rot 180:sc= 0.051 USER MOD Single : A 1 MET CE :methyl -136:sc= -0.701 (180deg=-1.52) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot -160:sc= -0.542 USER MOD Single : A 4 GLN : amide:sc= -0.194 X(o=-0.19,f=0) USER MOD Single : A 8 GLN : amide:sc= -0.116 X(o=-0.12,f=-0.52) USER MOD Single : A 13 LYS NZ :NH3+ 150:sc= 1.21 (180deg=0.276) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot -132:sc= 0.09 USER MOD Single : A 18 TYR OH : rot 100:sc= 0.243 USER MOD Single : A 21 GLN : amide:sc= -0.266 X(o=-0.27,f=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -0.0567 X(o=-0.057,f=-0.057) USER MOD Single : A 28 LYS NZ :NH3+ 144:sc= 0.276 (180deg=-0.396) USER MOD Single : A 34 MET CE :methyl -172:sc= -0.0176 (180deg=-0.14) USER MOD Single : A 36 LYS NZ :NH3+ 140:sc= -0.915 (180deg=-3.06!) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 GLN :FLIP amide:sc= -0.0359 F(o=-1.4,f=-0.036) USER MOD Single : A 42 SER OG : rot -35:sc= 0.407 USER MOD Single : A 45 MET CE :methyl 172:sc= -0.175 (180deg=-0.333) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 TYR OH : rot 3:sc= 0.396 USER MOD Single : A 51 GLN : amide:sc= -0.558 K(o=-0.56,f=-7.6!) USER MOD Single : A 53 HIS : no HD1:sc= 0.552 K(o=0.55,f=-2!) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 69 GLN :FLIP amide:sc= -1.2 F(o=-3.8!,f=-1.2) USER MOD Single : A 71 LYS NZ :NH3+ 179:sc= 0.625 (180deg=0.624) USER MOD Single : A 72 THR OG1 : rot 84:sc= 1.09 USER MOD Single : A 75 THR OG1 : rot 67:sc= 1.23 USER MOD Single : A 76 GLN :FLIP amide:sc= -1.01 F(o=-2.1!,f=-1) USER MOD Single : A 77 THR OG1 : rot 106:sc= 0.0617 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ -142:sc= 0.948 (180deg=-0.00126) USER MOD Single : A 98 SER OG : rot -22:sc= 0.14 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -11.288 0.133 2.043 1.00 25.23 N ATOM 2 CA MET A 1 -10.527 0.035 0.780 1.00 41.41 C ATOM 3 C MET A 1 -10.735 -1.340 0.129 1.00 42.21 C ATOM 4 O MET A 1 -10.744 -2.364 0.820 1.00 12.32 O ATOM 5 CB MET A 1 -9.021 0.273 1.027 1.00 15.23 C ATOM 6 CG MET A 1 -8.142 0.231 -0.235 1.00 75.42 C ATOM 7 SD MET A 1 -6.387 0.241 0.156 1.00 73.10 S ATOM 8 CE MET A 1 -6.212 1.825 0.955 1.00 74.00 C ATOM 0 H1 MET A 1 -11.135 1.069 2.469 1.00 25.23 H new ATOM 0 H2 MET A 1 -12.301 0.002 1.849 1.00 25.23 H new ATOM 0 H3 MET A 1 -10.964 -0.604 2.702 1.00 25.23 H new ATOM 0 HA MET A 1 -10.898 0.806 0.105 1.00 41.41 H new ATOM 0 HB2 MET A 1 -8.896 1.244 1.507 1.00 15.23 H new ATOM 0 HB3 MET A 1 -8.660 -0.479 1.729 1.00 15.23 H new ATOM 0 HG2 MET A 1 -8.379 -0.664 -0.810 1.00 75.42 H new ATOM 0 HG3 MET A 1 -8.376 1.088 -0.867 1.00 75.42 H new ATOM 0 HE1 MET A 1 -5.316 2.323 0.584 1.00 74.00 H new ATOM 0 HE2 MET A 1 -7.085 2.440 0.738 1.00 74.00 H new ATOM 0 HE3 MET A 1 -6.128 1.682 2.032 1.00 74.00 H new ATOM 20 N THR A 2 -10.914 -1.337 -1.201 1.00 71.20 N ATOM 21 CA THR A 2 -10.915 -2.538 -2.049 1.00 15.11 C ATOM 22 C THR A 2 -9.604 -2.592 -2.865 1.00 34.23 C ATOM 23 O THR A 2 -8.847 -1.609 -2.892 1.00 30.40 O ATOM 24 CB THR A 2 -12.135 -2.503 -3.026 1.00 61.34 C ATOM 25 OG1 THR A 2 -12.066 -1.314 -3.832 1.00 52.45 O ATOM 26 CG2 THR A 2 -13.478 -2.527 -2.273 1.00 3.23 C ATOM 0 H THR A 2 -11.066 -0.478 -1.729 1.00 71.20 H new ATOM 0 HA THR A 2 -10.991 -3.422 -1.416 1.00 15.11 H new ATOM 0 HB THR A 2 -12.086 -3.394 -3.651 1.00 61.34 H new ATOM 0 HG1 THR A 2 -12.951 -1.119 -4.204 1.00 52.45 H new ATOM 0 HG21 THR A 2 -14.298 -2.501 -2.991 1.00 3.23 H new ATOM 0 HG22 THR A 2 -13.545 -3.438 -1.678 1.00 3.23 H new ATOM 0 HG23 THR A 2 -13.543 -1.659 -1.617 1.00 3.23 H new ATOM 34 N GLY A 3 -9.345 -3.742 -3.521 1.00 22.31 N ATOM 35 CA GLY A 3 -8.208 -3.895 -4.445 1.00 42.05 C ATOM 36 C GLY A 3 -8.307 -2.961 -5.653 1.00 71.32 C ATOM 37 O GLY A 3 -7.297 -2.686 -6.305 1.00 1.10 O ATOM 0 H GLY A 3 -9.914 -4.583 -3.425 1.00 22.31 H new ATOM 0 HA2 GLY A 3 -7.279 -3.695 -3.910 1.00 42.05 H new ATOM 0 HA3 GLY A 3 -8.161 -4.928 -4.791 1.00 42.05 H new ATOM 41 N GLN A 4 -9.543 -2.493 -5.941 1.00 54.03 N ATOM 42 CA GLN A 4 -9.826 -1.461 -6.953 1.00 3.14 C ATOM 43 C GLN A 4 -9.260 -0.110 -6.500 1.00 60.22 C ATOM 44 O GLN A 4 -8.464 0.508 -7.218 1.00 75.20 O ATOM 45 CB GLN A 4 -11.367 -1.353 -7.181 1.00 44.45 C ATOM 46 CG GLN A 4 -11.829 -0.186 -8.097 1.00 42.20 C ATOM 47 CD GLN A 4 -11.222 -0.188 -9.512 1.00 13.14 C ATOM 48 OE1 GLN A 4 -11.006 0.868 -10.103 1.00 61.44 O ATOM 49 NE2 GLN A 4 -10.985 -1.357 -10.083 1.00 54.32 N ATOM 0 H GLN A 4 -10.381 -2.830 -5.467 1.00 54.03 H new ATOM 0 HA GLN A 4 -9.348 -1.741 -7.892 1.00 3.14 H new ATOM 0 HB2 GLN A 4 -11.719 -2.290 -7.611 1.00 44.45 H new ATOM 0 HB3 GLN A 4 -11.853 -1.245 -6.211 1.00 44.45 H new ATOM 0 HG2 GLN A 4 -12.915 -0.221 -8.184 1.00 42.20 H new ATOM 0 HG3 GLN A 4 -11.578 0.757 -7.612 1.00 42.20 H new ATOM 0 HE21 GLN A 4 -11.172 -2.221 -9.573 1.00 54.32 H new ATOM 0 HE22 GLN A 4 -10.615 -1.395 -11.033 1.00 54.32 H new ATOM 58 N GLU A 5 -9.691 0.316 -5.296 1.00 5.11 N ATOM 59 CA GLU A 5 -9.347 1.627 -4.725 1.00 13.05 C ATOM 60 C GLU A 5 -7.842 1.756 -4.495 1.00 21.51 C ATOM 61 O GLU A 5 -7.279 2.808 -4.768 1.00 13.24 O ATOM 62 CB GLU A 5 -10.105 1.862 -3.395 1.00 13.11 C ATOM 63 CG GLU A 5 -11.632 1.961 -3.540 1.00 3.14 C ATOM 64 CD GLU A 5 -12.325 2.134 -2.183 1.00 34.10 C ATOM 65 OE1 GLU A 5 -12.464 3.284 -1.717 1.00 51.33 O ATOM 66 OE2 GLU A 5 -12.695 1.114 -1.561 1.00 70.24 O ATOM 0 H GLU A 5 -10.291 -0.245 -4.692 1.00 5.11 H new ATOM 0 HA GLU A 5 -9.650 2.387 -5.445 1.00 13.05 H new ATOM 0 HB2 GLU A 5 -9.870 1.048 -2.709 1.00 13.11 H new ATOM 0 HB3 GLU A 5 -9.736 2.780 -2.939 1.00 13.11 H new ATOM 0 HG2 GLU A 5 -11.882 2.803 -4.185 1.00 3.14 H new ATOM 0 HG3 GLU A 5 -12.009 1.063 -4.028 1.00 3.14 H new ATOM 73 N LEU A 6 -7.213 0.666 -4.007 1.00 35.32 N ATOM 74 CA LEU A 6 -5.775 0.640 -3.700 1.00 60.10 C ATOM 75 C LEU A 6 -4.941 0.738 -4.985 1.00 33.52 C ATOM 76 O LEU A 6 -3.968 1.491 -5.030 1.00 14.31 O ATOM 77 CB LEU A 6 -5.408 -0.639 -2.913 1.00 41.21 C ATOM 78 CG LEU A 6 -3.917 -0.764 -2.437 1.00 1.03 C ATOM 79 CD1 LEU A 6 -3.453 0.471 -1.622 1.00 25.41 C ATOM 80 CD2 LEU A 6 -3.718 -2.056 -1.633 1.00 41.51 C ATOM 0 H LEU A 6 -7.689 -0.216 -3.817 1.00 35.32 H new ATOM 0 HA LEU A 6 -5.546 1.505 -3.077 1.00 60.10 H new ATOM 0 HB2 LEU A 6 -6.052 -0.697 -2.036 1.00 41.21 H new ATOM 0 HB3 LEU A 6 -5.641 -1.502 -3.537 1.00 41.21 H new ATOM 0 HG LEU A 6 -3.294 -0.805 -3.330 1.00 1.03 H new ATOM 0 HD11 LEU A 6 -2.416 0.336 -1.316 1.00 25.41 H new ATOM 0 HD12 LEU A 6 -3.536 1.366 -2.239 1.00 25.41 H new ATOM 0 HD13 LEU A 6 -4.081 0.580 -0.738 1.00 25.41 H new ATOM 0 HD21 LEU A 6 -2.679 -2.127 -1.310 1.00 41.51 H new ATOM 0 HD22 LEU A 6 -4.369 -2.045 -0.759 1.00 41.51 H new ATOM 0 HD23 LEU A 6 -3.964 -2.915 -2.258 1.00 41.51 H new ATOM 92 N ARG A 7 -5.352 -0.013 -6.029 1.00 64.32 N ATOM 93 CA ARG A 7 -4.692 0.001 -7.343 1.00 44.44 C ATOM 94 C ARG A 7 -4.703 1.416 -7.929 1.00 45.02 C ATOM 95 O ARG A 7 -3.660 1.964 -8.305 1.00 54.41 O ATOM 96 CB ARG A 7 -5.410 -0.971 -8.314 1.00 72.54 C ATOM 97 CG ARG A 7 -4.734 -1.083 -9.693 1.00 65.15 C ATOM 98 CD ARG A 7 -5.479 -2.023 -10.640 1.00 51.13 C ATOM 99 NE ARG A 7 -4.768 -2.163 -11.921 1.00 61.23 N ATOM 100 CZ ARG A 7 -4.335 -3.324 -12.439 1.00 42.43 C ATOM 101 NH1 ARG A 7 -4.543 -4.468 -11.796 1.00 44.41 N ATOM 102 NH2 ARG A 7 -3.702 -3.327 -13.600 1.00 23.32 N ATOM 0 H ARG A 7 -6.151 -0.645 -5.980 1.00 64.32 H new ATOM 0 HA ARG A 7 -3.659 -0.322 -7.213 1.00 44.44 H new ATOM 0 HB2 ARG A 7 -5.451 -1.960 -7.858 1.00 72.54 H new ATOM 0 HB3 ARG A 7 -6.439 -0.639 -8.450 1.00 72.54 H new ATOM 0 HG2 ARG A 7 -4.672 -0.093 -10.144 1.00 65.15 H new ATOM 0 HG3 ARG A 7 -3.712 -1.439 -9.564 1.00 65.15 H new ATOM 0 HD2 ARG A 7 -5.588 -3.002 -10.173 1.00 51.13 H new ATOM 0 HD3 ARG A 7 -6.484 -1.641 -10.819 1.00 51.13 H new ATOM 0 HE ARG A 7 -4.590 -1.313 -12.456 1.00 61.23 H new ATOM 0 HH11 ARG A 7 -5.035 -4.469 -10.902 1.00 44.41 H new ATOM 0 HH12 ARG A 7 -4.211 -5.346 -12.196 1.00 44.41 H new ATOM 0 HH21 ARG A 7 -3.545 -2.450 -14.097 1.00 23.32 H new ATOM 0 HH22 ARG A 7 -3.371 -4.206 -13.998 1.00 23.32 H new ATOM 116 N GLN A 8 -5.907 1.992 -7.968 1.00 55.11 N ATOM 117 CA GLN A 8 -6.152 3.337 -8.476 1.00 52.45 C ATOM 118 C GLN A 8 -5.570 4.415 -7.557 1.00 60.10 C ATOM 119 O GLN A 8 -5.350 5.521 -8.004 1.00 54.41 O ATOM 120 CB GLN A 8 -7.676 3.546 -8.712 1.00 52.41 C ATOM 121 CG GLN A 8 -8.179 2.917 -10.025 1.00 52.11 C ATOM 122 CD GLN A 8 -7.626 3.627 -11.274 1.00 24.55 C ATOM 123 OE1 GLN A 8 -7.436 4.848 -11.288 1.00 41.43 O ATOM 124 NE2 GLN A 8 -7.313 2.866 -12.305 1.00 71.50 N ATOM 0 H GLN A 8 -6.752 1.525 -7.640 1.00 55.11 H new ATOM 0 HA GLN A 8 -5.635 3.438 -9.430 1.00 52.45 H new ATOM 0 HB2 GLN A 8 -8.229 3.117 -7.876 1.00 52.41 H new ATOM 0 HB3 GLN A 8 -7.892 4.614 -8.722 1.00 52.41 H new ATOM 0 HG2 GLN A 8 -7.892 1.866 -10.053 1.00 52.11 H new ATOM 0 HG3 GLN A 8 -9.268 2.951 -10.045 1.00 52.11 H new ATOM 0 HE21 GLN A 8 -7.481 1.861 -12.266 1.00 71.50 H new ATOM 0 HE22 GLN A 8 -6.903 3.283 -13.141 1.00 71.50 H new ATOM 133 N LEU A 9 -5.298 4.089 -6.287 1.00 1.22 N ATOM 134 CA LEU A 9 -4.682 5.040 -5.338 1.00 11.32 C ATOM 135 C LEU A 9 -3.187 5.242 -5.670 1.00 61.50 C ATOM 136 O LEU A 9 -2.597 6.266 -5.317 1.00 14.24 O ATOM 137 CB LEU A 9 -4.867 4.536 -3.887 1.00 2.04 C ATOM 138 CG LEU A 9 -4.527 5.541 -2.749 1.00 24.33 C ATOM 139 CD1 LEU A 9 -5.386 6.825 -2.850 1.00 4.13 C ATOM 140 CD2 LEU A 9 -4.673 4.864 -1.374 1.00 31.22 C ATOM 0 H LEU A 9 -5.494 3.171 -5.887 1.00 1.22 H new ATOM 0 HA LEU A 9 -5.179 6.006 -5.431 1.00 11.32 H new ATOM 0 HB2 LEU A 9 -5.904 4.222 -3.765 1.00 2.04 H new ATOM 0 HB3 LEU A 9 -4.248 3.649 -3.754 1.00 2.04 H new ATOM 0 HG LEU A 9 -3.487 5.848 -2.864 1.00 24.33 H new ATOM 0 HD11 LEU A 9 -5.122 7.504 -2.039 1.00 4.13 H new ATOM 0 HD12 LEU A 9 -5.200 7.313 -3.807 1.00 4.13 H new ATOM 0 HD13 LEU A 9 -6.441 6.563 -2.775 1.00 4.13 H new ATOM 0 HD21 LEU A 9 -4.432 5.580 -0.588 1.00 31.22 H new ATOM 0 HD22 LEU A 9 -5.698 4.517 -1.246 1.00 31.22 H new ATOM 0 HD23 LEU A 9 -3.992 4.015 -1.312 1.00 31.22 H new ATOM 152 N LEU A 10 -2.593 4.241 -6.344 1.00 74.23 N ATOM 153 CA LEU A 10 -1.197 4.284 -6.817 1.00 42.33 C ATOM 154 C LEU A 10 -1.141 4.872 -8.248 1.00 42.25 C ATOM 155 O LEU A 10 -0.193 5.588 -8.607 1.00 54.25 O ATOM 156 CB LEU A 10 -0.608 2.844 -6.786 1.00 33.54 C ATOM 157 CG LEU A 10 -0.860 2.039 -5.467 1.00 4.20 C ATOM 158 CD1 LEU A 10 -0.356 0.598 -5.577 1.00 64.30 C ATOM 159 CD2 LEU A 10 -0.262 2.743 -4.230 1.00 35.50 C ATOM 0 H LEU A 10 -3.072 3.372 -6.578 1.00 74.23 H new ATOM 0 HA LEU A 10 -0.603 4.925 -6.166 1.00 42.33 H new ATOM 0 HB2 LEU A 10 -1.027 2.281 -7.620 1.00 33.54 H new ATOM 0 HB3 LEU A 10 0.467 2.907 -6.952 1.00 33.54 H new ATOM 0 HG LEU A 10 -1.940 2.004 -5.328 1.00 4.20 H new ATOM 0 HD11 LEU A 10 -0.549 0.073 -4.642 1.00 64.30 H new ATOM 0 HD12 LEU A 10 -0.875 0.092 -6.391 1.00 64.30 H new ATOM 0 HD13 LEU A 10 0.716 0.602 -5.776 1.00 64.30 H new ATOM 0 HD21 LEU A 10 -0.462 2.147 -3.340 1.00 35.50 H new ATOM 0 HD22 LEU A 10 0.815 2.852 -4.359 1.00 35.50 H new ATOM 0 HD23 LEU A 10 -0.716 3.728 -4.117 1.00 35.50 H new ATOM 171 N LEU A 11 -2.178 4.552 -9.054 1.00 11.41 N ATOM 172 CA LEU A 11 -2.289 4.988 -10.461 1.00 41.41 C ATOM 173 C LEU A 11 -2.673 6.476 -10.557 1.00 0.42 C ATOM 174 O LEU A 11 -1.924 7.266 -11.121 1.00 54.12 O ATOM 175 CB LEU A 11 -3.319 4.106 -11.214 1.00 4.35 C ATOM 176 CG LEU A 11 -2.892 2.625 -11.449 1.00 60.30 C ATOM 177 CD1 LEU A 11 -4.035 1.807 -12.066 1.00 43.44 C ATOM 178 CD2 LEU A 11 -1.621 2.546 -12.321 1.00 12.14 C ATOM 0 H LEU A 11 -2.964 3.981 -8.744 1.00 11.41 H new ATOM 0 HA LEU A 11 -1.313 4.869 -10.932 1.00 41.41 H new ATOM 0 HB2 LEU A 11 -4.254 4.111 -10.654 1.00 4.35 H new ATOM 0 HB3 LEU A 11 -3.525 4.564 -12.181 1.00 4.35 H new ATOM 0 HG LEU A 11 -2.660 2.189 -10.477 1.00 60.30 H new ATOM 0 HD11 LEU A 11 -3.706 0.779 -12.218 1.00 43.44 H new ATOM 0 HD12 LEU A 11 -4.894 1.818 -11.395 1.00 43.44 H new ATOM 0 HD13 LEU A 11 -4.318 2.242 -13.024 1.00 43.44 H new ATOM 0 HD21 LEU A 11 -1.346 1.502 -12.469 1.00 12.14 H new ATOM 0 HD22 LEU A 11 -1.814 3.011 -13.288 1.00 12.14 H new ATOM 0 HD23 LEU A 11 -0.805 3.069 -11.823 1.00 12.14 H new ATOM 190 N ASP A 12 -3.856 6.835 -10.013 1.00 52.24 N ATOM 191 CA ASP A 12 -4.337 8.246 -9.902 1.00 30.13 C ATOM 192 C ASP A 12 -3.238 9.204 -9.382 1.00 44.51 C ATOM 193 O ASP A 12 -3.055 10.305 -9.918 1.00 10.31 O ATOM 194 CB ASP A 12 -5.567 8.306 -8.946 1.00 71.52 C ATOM 195 CG ASP A 12 -6.187 9.702 -8.784 1.00 23.43 C ATOM 196 OD1 ASP A 12 -6.906 10.147 -9.700 1.00 23.23 O ATOM 197 OD2 ASP A 12 -5.964 10.360 -7.744 1.00 52.40 O ATOM 0 H ASP A 12 -4.515 6.155 -9.633 1.00 52.24 H new ATOM 0 HA ASP A 12 -4.615 8.574 -10.904 1.00 30.13 H new ATOM 0 HB2 ASP A 12 -6.332 7.624 -9.318 1.00 71.52 H new ATOM 0 HB3 ASP A 12 -5.265 7.941 -7.964 1.00 71.52 H new ATOM 202 N LYS A 13 -2.516 8.741 -8.352 1.00 20.32 N ATOM 203 CA LYS A 13 -1.507 9.528 -7.642 1.00 60.44 C ATOM 204 C LYS A 13 -0.197 9.663 -8.449 1.00 10.43 C ATOM 205 O LYS A 13 0.199 10.769 -8.821 1.00 52.05 O ATOM 206 CB LYS A 13 -1.223 8.875 -6.273 1.00 64.30 C ATOM 207 CG LYS A 13 -0.230 9.634 -5.385 1.00 0.25 C ATOM 208 CD LYS A 13 -0.755 10.989 -4.877 1.00 54.02 C ATOM 209 CE LYS A 13 0.323 11.758 -4.102 1.00 11.42 C ATOM 210 NZ LYS A 13 -0.220 12.985 -3.480 1.00 1.13 N ATOM 0 H LYS A 13 -2.621 7.795 -7.986 1.00 20.32 H new ATOM 0 HA LYS A 13 -1.902 10.534 -7.503 1.00 60.44 H new ATOM 0 HB2 LYS A 13 -2.165 8.773 -5.734 1.00 64.30 H new ATOM 0 HB3 LYS A 13 -0.841 7.868 -6.440 1.00 64.30 H new ATOM 0 HG2 LYS A 13 0.026 9.011 -4.528 1.00 0.25 H new ATOM 0 HG3 LYS A 13 0.690 9.799 -5.945 1.00 0.25 H new ATOM 0 HD2 LYS A 13 -1.094 11.588 -5.722 1.00 54.02 H new ATOM 0 HD3 LYS A 13 -1.620 10.827 -4.234 1.00 54.02 H new ATOM 0 HE2 LYS A 13 0.745 11.115 -3.330 1.00 11.42 H new ATOM 0 HE3 LYS A 13 1.137 12.022 -4.777 1.00 11.42 H new ATOM 0 HZ1 LYS A 13 0.309 13.197 -2.610 1.00 1.13 H new ATOM 0 HZ2 LYS A 13 -0.128 13.781 -4.143 1.00 1.13 H new ATOM 0 HZ3 LYS A 13 -1.224 12.842 -3.249 1.00 1.13 H new ATOM 224 N TRP A 14 0.469 8.523 -8.704 1.00 64.11 N ATOM 225 CA TRP A 14 1.859 8.496 -9.228 1.00 12.20 C ATOM 226 C TRP A 14 1.928 8.065 -10.700 1.00 41.30 C ATOM 227 O TRP A 14 2.906 8.373 -11.392 1.00 43.31 O ATOM 228 CB TRP A 14 2.716 7.564 -8.343 1.00 75.05 C ATOM 229 CG TRP A 14 2.827 8.023 -6.902 1.00 12.22 C ATOM 230 CD1 TRP A 14 3.242 9.247 -6.475 1.00 73.21 C ATOM 231 CD2 TRP A 14 2.513 7.282 -5.708 1.00 10.51 C ATOM 232 NE1 TRP A 14 3.236 9.309 -5.110 1.00 65.52 N ATOM 233 CE2 TRP A 14 2.789 8.124 -4.610 1.00 42.03 C ATOM 234 CE3 TRP A 14 2.035 6.004 -5.460 1.00 75.02 C ATOM 235 CZ2 TRP A 14 2.604 7.727 -3.291 1.00 70.23 C ATOM 236 CZ3 TRP A 14 1.848 5.612 -4.147 1.00 31.01 C ATOM 237 CH2 TRP A 14 2.133 6.468 -3.077 1.00 61.01 C ATOM 0 H TRP A 14 0.068 7.597 -8.556 1.00 64.11 H new ATOM 0 HA TRP A 14 2.253 9.512 -9.189 1.00 12.20 H new ATOM 0 HB2 TRP A 14 2.287 6.562 -8.364 1.00 75.05 H new ATOM 0 HB3 TRP A 14 3.716 7.491 -8.770 1.00 75.05 H new ATOM 0 HD1 TRP A 14 3.536 10.058 -7.126 1.00 73.21 H new ATOM 0 HE1 TRP A 14 3.521 10.115 -4.554 1.00 65.52 H new ATOM 0 HE3 TRP A 14 1.814 5.330 -6.274 1.00 75.02 H new ATOM 0 HZ2 TRP A 14 2.825 8.391 -2.469 1.00 70.23 H new ATOM 0 HZ3 TRP A 14 1.473 4.620 -3.942 1.00 31.01 H new ATOM 0 HH2 TRP A 14 1.977 6.124 -2.065 1.00 61.01 H new ATOM 248 N GLY A 15 0.902 7.340 -11.167 1.00 1.44 N ATOM 249 CA GLY A 15 0.801 6.932 -12.579 1.00 5.33 C ATOM 250 C GLY A 15 1.236 5.500 -12.844 1.00 24.32 C ATOM 251 O GLY A 15 1.119 5.019 -13.974 1.00 43.33 O ATOM 0 H GLY A 15 0.126 7.022 -10.586 1.00 1.44 H new ATOM 0 HA2 GLY A 15 -0.231 7.054 -12.908 1.00 5.33 H new ATOM 0 HA3 GLY A 15 1.410 7.603 -13.184 1.00 5.33 H new ATOM 255 N TYR A 16 1.726 4.804 -11.804 1.00 62.33 N ATOM 256 CA TYR A 16 2.332 3.461 -11.946 1.00 65.42 C ATOM 257 C TYR A 16 1.677 2.475 -10.987 1.00 44.54 C ATOM 258 O TYR A 16 1.229 2.848 -9.901 1.00 31.11 O ATOM 259 CB TYR A 16 3.861 3.498 -11.698 1.00 63.23 C ATOM 260 CG TYR A 16 4.628 4.354 -12.705 1.00 51.12 C ATOM 261 CD1 TYR A 16 4.883 3.872 -13.989 1.00 64.23 C ATOM 262 CD2 TYR A 16 5.084 5.640 -12.384 1.00 31.02 C ATOM 263 CE1 TYR A 16 5.559 4.634 -14.915 1.00 35.30 C ATOM 264 CE2 TYR A 16 5.765 6.407 -13.311 1.00 61.51 C ATOM 265 CZ TYR A 16 5.999 5.900 -14.574 1.00 32.30 C ATOM 266 OH TYR A 16 6.679 6.656 -15.503 1.00 23.32 O ATOM 0 H TYR A 16 1.715 5.151 -10.845 1.00 62.33 H new ATOM 0 HA TYR A 16 2.161 3.132 -12.971 1.00 65.42 H new ATOM 0 HB2 TYR A 16 4.048 3.879 -10.694 1.00 63.23 H new ATOM 0 HB3 TYR A 16 4.250 2.480 -11.730 1.00 63.23 H new ATOM 0 HD1 TYR A 16 4.544 2.883 -14.261 1.00 64.23 H new ATOM 0 HD2 TYR A 16 4.900 6.038 -11.397 1.00 31.02 H new ATOM 0 HE1 TYR A 16 5.745 4.244 -15.905 1.00 35.30 H new ATOM 0 HE2 TYR A 16 6.112 7.396 -13.049 1.00 61.51 H new ATOM 0 HH TYR A 16 6.919 7.521 -15.109 1.00 23.32 H new ATOM 276 N SER A 17 1.635 1.216 -11.417 1.00 63.42 N ATOM 277 CA SER A 17 1.039 0.112 -10.675 1.00 44.54 C ATOM 278 C SER A 17 2.062 -0.488 -9.695 1.00 44.23 C ATOM 279 O SER A 17 2.508 -1.634 -9.863 1.00 4.02 O ATOM 280 CB SER A 17 0.528 -0.934 -11.691 1.00 21.33 C ATOM 281 OG SER A 17 1.557 -1.291 -12.607 1.00 31.45 O ATOM 0 H SER A 17 2.025 0.930 -12.315 1.00 63.42 H new ATOM 0 HA SER A 17 0.198 0.462 -10.076 1.00 44.54 H new ATOM 0 HB2 SER A 17 0.181 -1.822 -11.163 1.00 21.33 H new ATOM 0 HB3 SER A 17 -0.327 -0.532 -12.235 1.00 21.33 H new ATOM 0 HG SER A 17 1.208 -1.254 -13.522 1.00 31.45 H new ATOM 287 N TYR A 18 2.439 0.301 -8.669 1.00 64.41 N ATOM 288 CA TYR A 18 3.407 -0.131 -7.647 1.00 71.21 C ATOM 289 C TYR A 18 2.841 -1.274 -6.796 1.00 33.13 C ATOM 290 O TYR A 18 1.626 -1.398 -6.642 1.00 74.13 O ATOM 291 CB TYR A 18 3.808 1.033 -6.716 1.00 62.31 C ATOM 292 CG TYR A 18 4.500 2.209 -7.411 1.00 43.32 C ATOM 293 CD1 TYR A 18 5.842 2.136 -7.799 1.00 41.22 C ATOM 294 CD2 TYR A 18 3.819 3.401 -7.657 1.00 30.41 C ATOM 295 CE1 TYR A 18 6.475 3.206 -8.402 1.00 33.43 C ATOM 296 CE2 TYR A 18 4.446 4.462 -8.261 1.00 34.42 C ATOM 297 CZ TYR A 18 5.773 4.368 -8.634 1.00 41.40 C ATOM 298 OH TYR A 18 6.393 5.446 -9.233 1.00 33.22 O ATOM 0 H TYR A 18 2.084 1.247 -8.528 1.00 64.41 H new ATOM 0 HA TYR A 18 4.291 -0.479 -8.182 1.00 71.21 H new ATOM 0 HB2 TYR A 18 2.913 1.402 -6.215 1.00 62.31 H new ATOM 0 HB3 TYR A 18 4.471 0.647 -5.942 1.00 62.31 H new ATOM 0 HD1 TYR A 18 6.395 1.225 -7.624 1.00 41.22 H new ATOM 0 HD2 TYR A 18 2.782 3.491 -7.368 1.00 30.41 H new ATOM 0 HE1 TYR A 18 7.513 3.132 -8.689 1.00 33.43 H new ATOM 0 HE2 TYR A 18 3.899 5.375 -8.446 1.00 34.42 H new ATOM 0 HH TYR A 18 6.153 5.475 -10.183 1.00 33.22 H new ATOM 308 N ASP A 19 3.719 -2.115 -6.261 1.00 32.43 N ATOM 309 CA ASP A 19 3.331 -3.117 -5.253 1.00 64.44 C ATOM 310 C ASP A 19 3.519 -2.508 -3.856 1.00 50.52 C ATOM 311 O ASP A 19 4.499 -1.807 -3.599 1.00 0.44 O ATOM 312 CB ASP A 19 4.142 -4.428 -5.411 1.00 2.55 C ATOM 313 CG ASP A 19 5.656 -4.273 -5.161 1.00 13.43 C ATOM 314 OD1 ASP A 19 6.341 -3.600 -5.964 1.00 74.21 O ATOM 315 OD2 ASP A 19 6.176 -4.849 -4.178 1.00 64.43 O ATOM 0 H ASP A 19 4.709 -2.129 -6.504 1.00 32.43 H new ATOM 0 HA ASP A 19 2.284 -3.383 -5.395 1.00 64.44 H new ATOM 0 HB2 ASP A 19 3.746 -5.172 -4.720 1.00 2.55 H new ATOM 0 HB3 ASP A 19 3.990 -4.816 -6.418 1.00 2.55 H new ATOM 320 N VAL A 20 2.534 -2.734 -2.981 1.00 43.34 N ATOM 321 CA VAL A 20 2.568 -2.287 -1.575 1.00 21.44 C ATOM 322 C VAL A 20 2.835 -3.508 -0.675 1.00 64.40 C ATOM 323 O VAL A 20 2.304 -4.597 -0.931 1.00 64.42 O ATOM 324 CB VAL A 20 1.218 -1.572 -1.175 1.00 11.52 C ATOM 325 CG1 VAL A 20 1.023 -0.259 -1.970 1.00 15.02 C ATOM 326 CG2 VAL A 20 0.002 -2.512 -1.366 1.00 43.21 C ATOM 0 H VAL A 20 1.681 -3.236 -3.226 1.00 43.34 H new ATOM 0 HA VAL A 20 3.367 -1.558 -1.444 1.00 21.44 H new ATOM 0 HB VAL A 20 1.285 -1.321 -0.116 1.00 11.52 H new ATOM 0 HG11 VAL A 20 0.085 0.210 -1.673 1.00 15.02 H new ATOM 0 HG12 VAL A 20 1.850 0.419 -1.761 1.00 15.02 H new ATOM 0 HG13 VAL A 20 0.996 -0.480 -3.037 1.00 15.02 H new ATOM 0 HG21 VAL A 20 -0.911 -1.989 -1.082 1.00 43.21 H new ATOM 0 HG22 VAL A 20 -0.064 -2.814 -2.411 1.00 43.21 H new ATOM 0 HG23 VAL A 20 0.123 -3.396 -0.740 1.00 43.21 H new ATOM 336 N GLN A 21 3.673 -3.341 0.365 1.00 24.15 N ATOM 337 CA GLN A 21 4.056 -4.447 1.266 1.00 20.45 C ATOM 338 C GLN A 21 3.936 -4.021 2.734 1.00 4.33 C ATOM 339 O GLN A 21 4.331 -2.910 3.104 1.00 31.33 O ATOM 340 CB GLN A 21 5.495 -4.945 0.963 1.00 12.43 C ATOM 341 CG GLN A 21 5.940 -6.148 1.836 1.00 73.42 C ATOM 342 CD GLN A 21 7.321 -6.725 1.511 1.00 72.42 C ATOM 343 OE1 GLN A 21 7.554 -7.929 1.666 1.00 63.31 O ATOM 344 NE2 GLN A 21 8.255 -5.887 1.092 1.00 70.44 N ATOM 0 H GLN A 21 4.100 -2.446 0.604 1.00 24.15 H new ATOM 0 HA GLN A 21 3.367 -5.273 1.088 1.00 20.45 H new ATOM 0 HB2 GLN A 21 5.557 -5.228 -0.088 1.00 12.43 H new ATOM 0 HB3 GLN A 21 6.193 -4.122 1.113 1.00 12.43 H new ATOM 0 HG2 GLN A 21 5.932 -5.838 2.881 1.00 73.42 H new ATOM 0 HG3 GLN A 21 5.201 -6.942 1.733 1.00 73.42 H new ATOM 0 HE21 GLN A 21 8.036 -4.898 0.972 1.00 70.44 H new ATOM 0 HE22 GLN A 21 9.194 -6.230 0.889 1.00 70.44 H new ATOM 353 N PHE A 22 3.367 -4.924 3.554 1.00 61.14 N ATOM 354 CA PHE A 22 3.265 -4.757 5.004 1.00 10.34 C ATOM 355 C PHE A 22 4.655 -4.857 5.648 1.00 65.44 C ATOM 356 O PHE A 22 5.339 -5.881 5.530 1.00 31.41 O ATOM 357 CB PHE A 22 2.311 -5.814 5.612 1.00 32.41 C ATOM 358 CG PHE A 22 0.849 -5.580 5.253 1.00 11.35 C ATOM 359 CD1 PHE A 22 0.165 -4.476 5.774 1.00 54.05 C ATOM 360 CD2 PHE A 22 0.155 -6.447 4.408 1.00 41.31 C ATOM 361 CE1 PHE A 22 -1.155 -4.247 5.459 1.00 13.42 C ATOM 362 CE2 PHE A 22 -1.166 -6.212 4.099 1.00 75.30 C ATOM 363 CZ PHE A 22 -1.819 -5.113 4.625 1.00 74.31 C ATOM 0 H PHE A 22 2.962 -5.798 3.218 1.00 61.14 H new ATOM 0 HA PHE A 22 2.853 -3.769 5.209 1.00 10.34 H new ATOM 0 HB2 PHE A 22 2.609 -6.804 5.267 1.00 32.41 H new ATOM 0 HB3 PHE A 22 2.417 -5.809 6.697 1.00 32.41 H new ATOM 0 HD1 PHE A 22 0.681 -3.793 6.433 1.00 54.05 H new ATOM 0 HD2 PHE A 22 0.658 -7.308 3.993 1.00 41.31 H new ATOM 0 HE1 PHE A 22 -1.668 -3.388 5.867 1.00 13.42 H new ATOM 0 HE2 PHE A 22 -1.694 -6.889 3.443 1.00 75.30 H new ATOM 0 HZ PHE A 22 -2.855 -4.935 4.379 1.00 74.31 H new ATOM 373 N ARG A 23 5.059 -3.770 6.304 1.00 64.12 N ATOM 374 CA ARG A 23 6.318 -3.676 7.035 1.00 21.20 C ATOM 375 C ARG A 23 6.022 -3.793 8.533 1.00 60.02 C ATOM 376 O ARG A 23 5.510 -2.855 9.156 1.00 2.05 O ATOM 377 CB ARG A 23 7.041 -2.343 6.743 1.00 32.55 C ATOM 378 CG ARG A 23 8.436 -2.233 7.393 1.00 60.04 C ATOM 379 CD ARG A 23 9.444 -3.225 6.791 1.00 1.42 C ATOM 380 NE ARG A 23 10.766 -3.137 7.428 1.00 62.33 N ATOM 381 CZ ARG A 23 11.749 -4.037 7.276 1.00 52.15 C ATOM 382 NH1 ARG A 23 11.579 -5.119 6.519 1.00 2.30 N ATOM 383 NH2 ARG A 23 12.907 -3.846 7.879 1.00 42.22 N ATOM 0 H ARG A 23 4.507 -2.913 6.342 1.00 64.12 H new ATOM 0 HA ARG A 23 6.975 -4.484 6.713 1.00 21.20 H new ATOM 0 HB2 ARG A 23 7.143 -2.225 5.664 1.00 32.55 H new ATOM 0 HB3 ARG A 23 6.420 -1.519 7.096 1.00 32.55 H new ATOM 0 HG2 ARG A 23 8.812 -1.217 7.269 1.00 60.04 H new ATOM 0 HG3 ARG A 23 8.350 -2.413 8.465 1.00 60.04 H new ATOM 0 HD2 ARG A 23 9.059 -4.239 6.898 1.00 1.42 H new ATOM 0 HD3 ARG A 23 9.545 -3.033 5.723 1.00 1.42 H new ATOM 0 HE ARG A 23 10.949 -2.333 8.029 1.00 62.33 H new ATOM 0 HH11 ARG A 23 10.690 -5.274 6.043 1.00 2.30 H new ATOM 0 HH12 ARG A 23 12.338 -5.793 6.415 1.00 2.30 H new ATOM 0 HH21 ARG A 23 13.051 -3.018 8.457 1.00 42.22 H new ATOM 0 HH22 ARG A 23 13.658 -4.527 7.767 1.00 42.22 H new ATOM 397 N ARG A 24 6.325 -4.964 9.080 1.00 14.15 N ATOM 398 CA ARG A 24 6.117 -5.282 10.498 1.00 10.44 C ATOM 399 C ARG A 24 7.464 -5.168 11.206 1.00 5.32 C ATOM 400 O ARG A 24 8.336 -6.018 11.018 1.00 53.24 O ATOM 401 CB ARG A 24 5.536 -6.714 10.670 1.00 3.15 C ATOM 402 CG ARG A 24 4.144 -6.922 10.036 1.00 24.35 C ATOM 403 CD ARG A 24 3.566 -8.320 10.323 1.00 23.13 C ATOM 404 NE ARG A 24 3.415 -8.571 11.771 1.00 52.53 N ATOM 405 CZ ARG A 24 3.201 -9.772 12.334 1.00 61.31 C ATOM 406 NH1 ARG A 24 3.107 -10.873 11.597 1.00 54.12 N ATOM 407 NH2 ARG A 24 3.094 -9.866 13.644 1.00 24.32 N ATOM 0 H ARG A 24 6.729 -5.735 8.548 1.00 14.15 H new ATOM 0 HA ARG A 24 5.398 -4.586 10.930 1.00 10.44 H new ATOM 0 HB2 ARG A 24 6.231 -7.429 10.231 1.00 3.15 H new ATOM 0 HB3 ARG A 24 5.474 -6.942 11.734 1.00 3.15 H new ATOM 0 HG2 ARG A 24 3.459 -6.164 10.416 1.00 24.35 H new ATOM 0 HG3 ARG A 24 4.214 -6.776 8.958 1.00 24.35 H new ATOM 0 HD2 ARG A 24 2.596 -8.418 9.835 1.00 23.13 H new ATOM 0 HD3 ARG A 24 4.219 -9.078 9.890 1.00 23.13 H new ATOM 0 HE ARG A 24 3.478 -7.766 12.395 1.00 52.53 H new ATOM 0 HH11 ARG A 24 3.198 -10.817 10.583 1.00 54.12 H new ATOM 0 HH12 ARG A 24 2.944 -11.775 12.045 1.00 54.12 H new ATOM 0 HH21 ARG A 24 3.174 -9.030 14.223 1.00 24.32 H new ATOM 0 HH22 ARG A 24 2.931 -10.774 14.079 1.00 24.32 H new ATOM 421 N THR A 25 7.658 -4.072 11.953 1.00 2.33 N ATOM 422 CA THR A 25 8.895 -3.821 12.700 1.00 53.05 C ATOM 423 C THR A 25 8.600 -3.079 14.018 1.00 2.34 C ATOM 424 O THR A 25 7.837 -2.102 14.027 1.00 10.43 O ATOM 425 CB THR A 25 9.938 -3.037 11.832 1.00 41.04 C ATOM 426 OG1 THR A 25 11.104 -2.724 12.611 1.00 4.14 O ATOM 427 CG2 THR A 25 9.360 -1.750 11.205 1.00 30.32 C ATOM 0 H THR A 25 6.960 -3.335 12.055 1.00 2.33 H new ATOM 0 HA THR A 25 9.335 -4.787 12.948 1.00 53.05 H new ATOM 0 HB THR A 25 10.211 -3.696 11.008 1.00 41.04 H new ATOM 0 HG1 THR A 25 11.747 -2.236 12.056 1.00 4.14 H new ATOM 0 HG21 THR A 25 10.132 -1.254 10.617 1.00 30.32 H new ATOM 0 HG22 THR A 25 8.520 -2.005 10.560 1.00 30.32 H new ATOM 0 HG23 THR A 25 9.020 -1.081 11.996 1.00 30.32 H new ATOM 435 N GLN A 26 9.206 -3.581 15.126 1.00 70.24 N ATOM 436 CA GLN A 26 9.134 -2.981 16.484 1.00 24.31 C ATOM 437 C GLN A 26 7.682 -2.897 17.012 1.00 73.11 C ATOM 438 O GLN A 26 7.326 -1.968 17.750 1.00 62.54 O ATOM 439 CB GLN A 26 9.844 -1.592 16.496 1.00 33.05 C ATOM 440 CG GLN A 26 11.341 -1.631 16.115 1.00 10.01 C ATOM 441 CD GLN A 26 12.176 -2.524 17.043 1.00 71.41 C ATOM 442 OE1 GLN A 26 12.367 -3.716 16.785 1.00 21.20 O ATOM 443 NE2 GLN A 26 12.666 -1.960 18.133 1.00 72.32 N ATOM 0 H GLN A 26 9.769 -4.431 15.099 1.00 70.24 H new ATOM 0 HA GLN A 26 9.664 -3.640 17.172 1.00 24.31 H new ATOM 0 HB2 GLN A 26 9.324 -0.927 15.806 1.00 33.05 H new ATOM 0 HB3 GLN A 26 9.747 -1.158 17.491 1.00 33.05 H new ATOM 0 HG2 GLN A 26 11.440 -1.989 15.090 1.00 10.01 H new ATOM 0 HG3 GLN A 26 11.742 -0.618 16.138 1.00 10.01 H new ATOM 0 HE21 GLN A 26 12.491 -0.972 18.319 1.00 72.32 H new ATOM 0 HE22 GLN A 26 13.219 -2.512 18.788 1.00 72.32 H new ATOM 452 N GLY A 27 6.859 -3.898 16.629 1.00 43.41 N ATOM 453 CA GLY A 27 5.454 -3.988 17.056 1.00 30.52 C ATOM 454 C GLY A 27 4.533 -3.030 16.310 1.00 54.30 C ATOM 455 O GLY A 27 3.351 -2.903 16.656 1.00 42.23 O ATOM 0 H GLY A 27 7.152 -4.660 16.018 1.00 43.41 H new ATOM 0 HA2 GLY A 27 5.101 -5.009 16.908 1.00 30.52 H new ATOM 0 HA3 GLY A 27 5.393 -3.781 18.124 1.00 30.52 H new ATOM 459 N LYS A 28 5.081 -2.365 15.280 1.00 13.04 N ATOM 460 CA LYS A 28 4.366 -1.358 14.464 1.00 35.22 C ATOM 461 C LYS A 28 4.193 -1.876 13.031 1.00 0.42 C ATOM 462 O LYS A 28 4.947 -2.750 12.583 1.00 13.04 O ATOM 463 CB LYS A 28 5.180 -0.042 14.473 1.00 35.35 C ATOM 464 CG LYS A 28 5.395 0.547 15.885 1.00 52.30 C ATOM 465 CD LYS A 28 6.572 1.542 15.963 1.00 13.04 C ATOM 466 CE LYS A 28 6.791 2.067 17.393 1.00 50.53 C ATOM 467 NZ LYS A 28 6.896 0.958 18.383 1.00 62.32 N ATOM 0 H LYS A 28 6.046 -2.510 14.983 1.00 13.04 H new ATOM 0 HA LYS A 28 3.376 -1.173 14.881 1.00 35.22 H new ATOM 0 HB2 LYS A 28 6.151 -0.223 14.013 1.00 35.35 H new ATOM 0 HB3 LYS A 28 4.668 0.696 13.856 1.00 35.35 H new ATOM 0 HG2 LYS A 28 4.482 1.050 16.203 1.00 52.30 H new ATOM 0 HG3 LYS A 28 5.571 -0.268 16.587 1.00 52.30 H new ATOM 0 HD2 LYS A 28 7.482 1.055 15.613 1.00 13.04 H new ATOM 0 HD3 LYS A 28 6.382 2.381 15.294 1.00 13.04 H new ATOM 0 HE2 LYS A 28 7.700 2.668 17.424 1.00 50.53 H new ATOM 0 HE3 LYS A 28 5.965 2.723 17.669 1.00 50.53 H new ATOM 0 HZ1 LYS A 28 7.590 1.211 19.115 1.00 62.32 H new ATOM 0 HZ2 LYS A 28 5.968 0.799 18.825 1.00 62.32 H new ATOM 0 HZ3 LYS A 28 7.203 0.090 17.900 1.00 62.32 H new ATOM 481 N ILE A 29 3.209 -1.315 12.309 1.00 0.34 N ATOM 482 CA ILE A 29 2.888 -1.711 10.930 1.00 54.21 C ATOM 483 C ILE A 29 2.882 -0.469 10.004 1.00 55.10 C ATOM 484 O ILE A 29 2.286 0.570 10.318 1.00 14.25 O ATOM 485 CB ILE A 29 1.520 -2.500 10.863 1.00 54.01 C ATOM 486 CG1 ILE A 29 1.199 -2.995 9.411 1.00 52.31 C ATOM 487 CG2 ILE A 29 0.357 -1.666 11.446 1.00 11.03 C ATOM 488 CD1 ILE A 29 2.231 -3.945 8.827 1.00 1.43 C ATOM 0 H ILE A 29 2.612 -0.570 12.668 1.00 0.34 H new ATOM 0 HA ILE A 29 3.662 -2.391 10.576 1.00 54.21 H new ATOM 0 HB ILE A 29 1.633 -3.388 11.485 1.00 54.01 H new ATOM 0 HG12 ILE A 29 0.229 -3.491 9.416 1.00 52.31 H new ATOM 0 HG13 ILE A 29 1.110 -2.128 8.756 1.00 52.31 H new ATOM 0 HG21 ILE A 29 -0.568 -2.239 11.384 1.00 11.03 H new ATOM 0 HG22 ILE A 29 0.567 -1.428 12.489 1.00 11.03 H new ATOM 0 HG23 ILE A 29 0.251 -0.742 10.877 1.00 11.03 H new ATOM 0 HD11 ILE A 29 1.929 -4.237 7.821 1.00 1.43 H new ATOM 0 HD12 ILE A 29 3.200 -3.448 8.785 1.00 1.43 H new ATOM 0 HD13 ILE A 29 2.305 -4.833 9.455 1.00 1.43 H new ATOM 500 N PHE A 30 3.602 -0.590 8.882 1.00 23.02 N ATOM 501 CA PHE A 30 3.767 0.469 7.880 1.00 64.44 C ATOM 502 C PHE A 30 3.522 -0.145 6.503 1.00 3.20 C ATOM 503 O PHE A 30 4.189 -1.110 6.156 1.00 21.54 O ATOM 504 CB PHE A 30 5.212 1.049 7.925 1.00 12.15 C ATOM 505 CG PHE A 30 5.668 1.500 9.312 1.00 4.44 C ATOM 506 CD1 PHE A 30 5.372 2.776 9.784 1.00 24.24 C ATOM 507 CD2 PHE A 30 6.384 0.635 10.152 1.00 53.12 C ATOM 508 CE1 PHE A 30 5.772 3.175 11.043 1.00 42.31 C ATOM 509 CE2 PHE A 30 6.783 1.040 11.411 1.00 72.34 C ATOM 510 CZ PHE A 30 6.476 2.310 11.856 1.00 74.10 C ATOM 0 H PHE A 30 4.098 -1.448 8.640 1.00 23.02 H new ATOM 0 HA PHE A 30 3.064 1.276 8.084 1.00 64.44 H new ATOM 0 HB2 PHE A 30 5.905 0.293 7.556 1.00 12.15 H new ATOM 0 HB3 PHE A 30 5.272 1.897 7.243 1.00 12.15 H new ATOM 0 HD1 PHE A 30 4.822 3.462 9.157 1.00 24.24 H new ATOM 0 HD2 PHE A 30 6.627 -0.360 9.810 1.00 53.12 H new ATOM 0 HE1 PHE A 30 5.533 4.168 11.394 1.00 42.31 H new ATOM 0 HE2 PHE A 30 7.335 0.363 12.047 1.00 72.34 H new ATOM 0 HZ PHE A 30 6.787 2.627 12.841 1.00 74.10 H new ATOM 520 N LEU A 31 2.602 0.407 5.699 1.00 33.11 N ATOM 521 CA LEU A 31 2.379 -0.111 4.342 1.00 21.23 C ATOM 522 C LEU A 31 3.330 0.628 3.388 1.00 14.04 C ATOM 523 O LEU A 31 3.059 1.751 2.966 1.00 71.15 O ATOM 524 CB LEU A 31 0.903 0.059 3.892 1.00 11.31 C ATOM 525 CG LEU A 31 0.566 -0.599 2.510 1.00 11.21 C ATOM 526 CD1 LEU A 31 0.738 -2.131 2.563 1.00 53.45 C ATOM 527 CD2 LEU A 31 -0.839 -0.208 2.018 1.00 21.53 C ATOM 0 H LEU A 31 2.011 1.197 5.958 1.00 33.11 H new ATOM 0 HA LEU A 31 2.583 -1.182 4.328 1.00 21.23 H new ATOM 0 HB2 LEU A 31 0.252 -0.371 4.653 1.00 11.31 H new ATOM 0 HB3 LEU A 31 0.672 1.123 3.840 1.00 11.31 H new ATOM 0 HG LEU A 31 1.280 -0.210 1.784 1.00 11.21 H new ATOM 0 HD11 LEU A 31 0.497 -2.558 1.590 1.00 53.45 H new ATOM 0 HD12 LEU A 31 1.769 -2.373 2.820 1.00 53.45 H new ATOM 0 HD13 LEU A 31 0.069 -2.546 3.317 1.00 53.45 H new ATOM 0 HD21 LEU A 31 -1.034 -0.685 1.057 1.00 21.53 H new ATOM 0 HD22 LEU A 31 -1.583 -0.537 2.744 1.00 21.53 H new ATOM 0 HD23 LEU A 31 -0.896 0.875 1.904 1.00 21.53 H new ATOM 539 N GLN A 32 4.467 -0.007 3.077 1.00 23.14 N ATOM 540 CA GLN A 32 5.509 0.603 2.248 1.00 24.21 C ATOM 541 C GLN A 32 5.209 0.355 0.771 1.00 42.21 C ATOM 542 O GLN A 32 5.310 -0.783 0.287 1.00 71.40 O ATOM 543 CB GLN A 32 6.911 0.059 2.625 1.00 11.33 C ATOM 544 CG GLN A 32 7.309 0.322 4.094 1.00 61.32 C ATOM 545 CD GLN A 32 8.787 0.055 4.409 1.00 64.12 C ATOM 546 OE1 GLN A 32 9.429 -0.797 3.795 1.00 50.03 O ATOM 547 NE2 GLN A 32 9.333 0.778 5.379 1.00 71.33 N ATOM 0 H GLN A 32 4.688 -0.952 3.392 1.00 23.14 H new ATOM 0 HA GLN A 32 5.513 1.678 2.430 1.00 24.21 H new ATOM 0 HB2 GLN A 32 6.936 -1.015 2.439 1.00 11.33 H new ATOM 0 HB3 GLN A 32 7.655 0.513 1.970 1.00 11.33 H new ATOM 0 HG2 GLN A 32 7.080 1.359 4.340 1.00 61.32 H new ATOM 0 HG3 GLN A 32 6.694 -0.303 4.742 1.00 61.32 H new ATOM 0 HE21 GLN A 32 8.775 1.477 5.870 1.00 71.33 H new ATOM 0 HE22 GLN A 32 10.310 0.635 5.634 1.00 71.33 H new ATOM 556 N VAL A 33 4.773 1.427 0.086 1.00 40.03 N ATOM 557 CA VAL A 33 4.626 1.440 -1.364 1.00 0.42 C ATOM 558 C VAL A 33 6.025 1.335 -1.980 1.00 2.23 C ATOM 559 O VAL A 33 6.809 2.300 -1.933 1.00 52.50 O ATOM 560 CB VAL A 33 3.919 2.739 -1.894 1.00 44.43 C ATOM 561 CG1 VAL A 33 3.664 2.636 -3.419 1.00 51.13 C ATOM 562 CG2 VAL A 33 2.610 3.032 -1.123 1.00 52.32 C ATOM 0 H VAL A 33 4.514 2.307 0.532 1.00 40.03 H new ATOM 0 HA VAL A 33 3.994 0.600 -1.650 1.00 0.42 H new ATOM 0 HB VAL A 33 4.589 3.580 -1.717 1.00 44.43 H new ATOM 0 HG11 VAL A 33 3.174 3.545 -3.768 1.00 51.13 H new ATOM 0 HG12 VAL A 33 4.614 2.513 -3.939 1.00 51.13 H new ATOM 0 HG13 VAL A 33 3.025 1.777 -3.624 1.00 51.13 H new ATOM 0 HG21 VAL A 33 2.150 3.938 -1.518 1.00 52.32 H new ATOM 0 HG22 VAL A 33 1.923 2.194 -1.242 1.00 52.32 H new ATOM 0 HG23 VAL A 33 2.834 3.170 -0.065 1.00 52.32 H new ATOM 572 N MET A 34 6.344 0.145 -2.499 1.00 22.33 N ATOM 573 CA MET A 34 7.673 -0.176 -3.015 1.00 33.41 C ATOM 574 C MET A 34 7.973 0.591 -4.308 1.00 13.21 C ATOM 575 O MET A 34 7.069 1.058 -5.004 1.00 73.24 O ATOM 576 CB MET A 34 7.814 -1.706 -3.247 1.00 2.44 C ATOM 577 CG MET A 34 7.534 -2.567 -1.995 1.00 51.33 C ATOM 578 SD MET A 34 8.509 -2.068 -0.552 1.00 62.01 S ATOM 579 CE MET A 34 10.191 -2.209 -1.152 1.00 14.04 C ATOM 0 H MET A 34 5.680 -0.626 -2.572 1.00 22.33 H new ATOM 0 HA MET A 34 8.402 0.134 -2.266 1.00 33.41 H new ATOM 0 HB2 MET A 34 7.130 -2.006 -4.040 1.00 2.44 H new ATOM 0 HB3 MET A 34 8.823 -1.917 -3.600 1.00 2.44 H new ATOM 0 HG2 MET A 34 6.474 -2.504 -1.748 1.00 51.33 H new ATOM 0 HG3 MET A 34 7.746 -3.611 -2.225 1.00 51.33 H new ATOM 0 HE1 MET A 34 10.886 -2.069 -0.324 1.00 14.04 H new ATOM 0 HE2 MET A 34 10.340 -3.197 -1.588 1.00 14.04 H new ATOM 0 HE3 MET A 34 10.372 -1.447 -1.910 1.00 14.04 H new ATOM 589 N TRP A 35 9.266 0.662 -4.621 1.00 60.34 N ATOM 590 CA TRP A 35 9.812 1.396 -5.781 1.00 62.53 C ATOM 591 C TRP A 35 9.650 0.627 -7.115 1.00 12.45 C ATOM 592 O TRP A 35 10.131 1.074 -8.164 1.00 61.32 O ATOM 593 CB TRP A 35 11.302 1.713 -5.503 1.00 52.51 C ATOM 594 CG TRP A 35 12.134 0.548 -4.987 1.00 43.40 C ATOM 595 CD1 TRP A 35 12.703 -0.467 -5.710 1.00 30.31 C ATOM 596 CD2 TRP A 35 12.493 0.297 -3.618 1.00 21.23 C ATOM 597 NE1 TRP A 35 13.414 -1.299 -4.883 1.00 74.21 N ATOM 598 CE2 TRP A 35 13.295 -0.854 -3.595 1.00 41.01 C ATOM 599 CE3 TRP A 35 12.220 0.947 -2.420 1.00 31.23 C ATOM 600 CZ2 TRP A 35 13.827 -1.368 -2.419 1.00 42.54 C ATOM 601 CZ3 TRP A 35 12.744 0.436 -1.247 1.00 15.35 C ATOM 602 CH2 TRP A 35 13.540 -0.713 -1.255 1.00 72.34 C ATOM 0 H TRP A 35 9.988 0.202 -4.066 1.00 60.34 H new ATOM 0 HA TRP A 35 9.242 2.317 -5.901 1.00 62.53 H new ATOM 0 HB2 TRP A 35 11.755 2.081 -6.424 1.00 52.51 H new ATOM 0 HB3 TRP A 35 11.354 2.524 -4.776 1.00 52.51 H new ATOM 0 HD1 TRP A 35 12.606 -0.594 -6.778 1.00 30.31 H new ATOM 0 HE1 TRP A 35 13.945 -2.117 -5.180 1.00 74.21 H new ATOM 0 HE3 TRP A 35 11.608 1.837 -2.406 1.00 31.23 H new ATOM 0 HZ2 TRP A 35 14.445 -2.254 -2.425 1.00 42.54 H new ATOM 0 HZ3 TRP A 35 12.535 0.932 -0.311 1.00 15.35 H new ATOM 0 HH2 TRP A 35 13.936 -1.090 -0.323 1.00 72.34 H new ATOM 613 N LYS A 36 8.967 -0.523 -7.058 1.00 42.30 N ATOM 614 CA LYS A 36 8.763 -1.418 -8.201 1.00 50.43 C ATOM 615 C LYS A 36 7.293 -1.391 -8.607 1.00 32.45 C ATOM 616 O LYS A 36 6.416 -1.178 -7.766 1.00 21.12 O ATOM 617 CB LYS A 36 9.187 -2.845 -7.804 1.00 63.11 C ATOM 618 CG LYS A 36 10.652 -2.951 -7.324 1.00 64.21 C ATOM 619 CD LYS A 36 10.986 -4.300 -6.643 1.00 35.41 C ATOM 620 CE LYS A 36 10.210 -4.534 -5.319 1.00 22.54 C ATOM 621 NZ LYS A 36 8.808 -4.994 -5.523 1.00 71.35 N ATOM 0 H LYS A 36 8.533 -0.863 -6.200 1.00 42.30 H new ATOM 0 HA LYS A 36 9.366 -1.091 -9.048 1.00 50.43 H new ATOM 0 HB2 LYS A 36 8.529 -3.202 -7.012 1.00 63.11 H new ATOM 0 HB3 LYS A 36 9.046 -3.507 -8.659 1.00 63.11 H new ATOM 0 HG2 LYS A 36 11.316 -2.810 -8.177 1.00 64.21 H new ATOM 0 HG3 LYS A 36 10.856 -2.140 -6.624 1.00 64.21 H new ATOM 0 HD2 LYS A 36 10.762 -5.112 -7.335 1.00 35.41 H new ATOM 0 HD3 LYS A 36 12.056 -4.340 -6.440 1.00 35.41 H new ATOM 0 HE2 LYS A 36 10.743 -5.273 -4.721 1.00 22.54 H new ATOM 0 HE3 LYS A 36 10.200 -3.607 -4.745 1.00 22.54 H new ATOM 0 HZ1 LYS A 36 8.576 -5.723 -4.818 1.00 71.35 H new ATOM 0 HZ2 LYS A 36 8.159 -4.188 -5.415 1.00 71.35 H new ATOM 0 HZ3 LYS A 36 8.709 -5.393 -6.478 1.00 71.35 H new ATOM 635 N TYR A 37 7.040 -1.615 -9.896 1.00 22.42 N ATOM 636 CA TYR A 37 5.685 -1.612 -10.463 1.00 54.53 C ATOM 637 C TYR A 37 5.513 -2.779 -11.442 1.00 61.22 C ATOM 638 O TYR A 37 6.500 -3.349 -11.921 1.00 40.23 O ATOM 639 CB TYR A 37 5.360 -0.235 -11.128 1.00 33.05 C ATOM 640 CG TYR A 37 6.499 0.396 -11.959 1.00 3.21 C ATOM 641 CD1 TYR A 37 6.799 -0.060 -13.234 1.00 63.55 C ATOM 642 CD2 TYR A 37 7.270 1.449 -11.458 1.00 70.00 C ATOM 643 CE1 TYR A 37 7.806 0.504 -13.989 1.00 50.11 C ATOM 644 CE2 TYR A 37 8.283 2.019 -12.211 1.00 72.05 C ATOM 645 CZ TYR A 37 8.548 1.535 -13.476 1.00 1.23 C ATOM 646 OH TYR A 37 9.549 2.091 -14.233 1.00 13.03 O ATOM 0 H TYR A 37 7.770 -1.805 -10.582 1.00 22.42 H new ATOM 0 HA TYR A 37 4.967 -1.752 -9.655 1.00 54.53 H new ATOM 0 HB2 TYR A 37 4.491 -0.361 -11.774 1.00 33.05 H new ATOM 0 HB3 TYR A 37 5.075 0.467 -10.345 1.00 33.05 H new ATOM 0 HD1 TYR A 37 6.229 -0.879 -13.647 1.00 63.55 H new ATOM 0 HD2 TYR A 37 7.072 1.825 -10.465 1.00 70.00 H new ATOM 0 HE1 TYR A 37 8.009 0.133 -14.983 1.00 50.11 H new ATOM 0 HE2 TYR A 37 8.862 2.838 -11.810 1.00 72.05 H new ATOM 0 HH TYR A 37 9.980 2.811 -13.727 1.00 13.03 H new ATOM 656 N LEU A 38 4.239 -3.108 -11.738 1.00 15.10 N ATOM 657 CA LEU A 38 3.866 -4.267 -12.583 1.00 4.24 C ATOM 658 C LEU A 38 4.299 -4.060 -14.046 1.00 13.22 C ATOM 659 O LEU A 38 4.474 -5.031 -14.790 1.00 62.43 O ATOM 660 CB LEU A 38 2.334 -4.533 -12.495 1.00 12.54 C ATOM 661 CG LEU A 38 1.806 -5.814 -13.235 1.00 14.23 C ATOM 662 CD1 LEU A 38 2.358 -7.116 -12.605 1.00 63.12 C ATOM 663 CD2 LEU A 38 0.267 -5.825 -13.297 1.00 2.13 C ATOM 0 H LEU A 38 3.436 -2.578 -11.398 1.00 15.10 H new ATOM 0 HA LEU A 38 4.395 -5.141 -12.204 1.00 4.24 H new ATOM 0 HB2 LEU A 38 2.060 -4.608 -11.443 1.00 12.54 H new ATOM 0 HB3 LEU A 38 1.812 -3.665 -12.899 1.00 12.54 H new ATOM 0 HG LEU A 38 2.180 -5.774 -14.258 1.00 14.23 H new ATOM 0 HD11 LEU A 38 1.967 -7.977 -13.148 1.00 63.12 H new ATOM 0 HD12 LEU A 38 3.447 -7.115 -12.662 1.00 63.12 H new ATOM 0 HD13 LEU A 38 2.049 -7.175 -11.561 1.00 63.12 H new ATOM 0 HD21 LEU A 38 -0.070 -6.723 -13.815 1.00 2.13 H new ATOM 0 HD22 LEU A 38 -0.138 -5.816 -12.285 1.00 2.13 H new ATOM 0 HD23 LEU A 38 -0.082 -4.944 -13.835 1.00 2.13 H new ATOM 675 N GLU A 39 4.504 -2.782 -14.437 1.00 32.11 N ATOM 676 CA GLU A 39 4.945 -2.412 -15.799 1.00 23.01 C ATOM 677 C GLU A 39 6.369 -2.953 -16.093 1.00 21.45 C ATOM 678 O GLU A 39 6.784 -3.030 -17.257 1.00 41.24 O ATOM 679 CB GLU A 39 4.905 -0.868 -15.986 1.00 55.02 C ATOM 680 CG GLU A 39 3.649 -0.153 -15.438 1.00 4.25 C ATOM 681 CD GLU A 39 2.345 -0.622 -16.097 1.00 40.43 C ATOM 682 OE1 GLU A 39 1.993 -0.095 -17.176 1.00 52.03 O ATOM 683 OE2 GLU A 39 1.670 -1.521 -15.547 1.00 54.24 O ATOM 0 H GLU A 39 4.369 -1.982 -13.819 1.00 32.11 H new ATOM 0 HA GLU A 39 4.255 -2.869 -16.509 1.00 23.01 H new ATOM 0 HB2 GLU A 39 5.783 -0.440 -15.502 1.00 55.02 H new ATOM 0 HB3 GLU A 39 4.989 -0.648 -17.050 1.00 55.02 H new ATOM 0 HG2 GLU A 39 3.585 -0.320 -14.363 1.00 4.25 H new ATOM 0 HG3 GLU A 39 3.757 0.921 -15.588 1.00 4.25 H new ATOM 690 N GLN A 40 7.117 -3.300 -15.017 1.00 24.41 N ATOM 691 CA GLN A 40 8.403 -4.003 -15.125 1.00 41.35 C ATOM 692 C GLN A 40 8.172 -5.448 -15.589 1.00 13.34 C ATOM 693 O GLN A 40 7.375 -6.168 -14.986 1.00 2.52 O ATOM 694 CB GLN A 40 9.157 -4.001 -13.767 1.00 65.25 C ATOM 695 CG GLN A 40 9.561 -2.598 -13.278 1.00 15.30 C ATOM 696 CD GLN A 40 10.270 -2.585 -11.918 1.00 3.34 C ATOM 697 OE1 GLN A 40 9.893 -3.487 -11.017 1.00 0.21 O flip ATOM 698 NE2 GLN A 40 11.128 -1.741 -11.664 1.00 3.42 N flip ATOM 0 H GLN A 40 6.840 -3.098 -14.056 1.00 24.41 H new ATOM 0 HA GLN A 40 9.016 -3.479 -15.858 1.00 41.35 H new ATOM 0 HB2 GLN A 40 8.526 -4.470 -13.012 1.00 65.25 H new ATOM 0 HB3 GLN A 40 10.053 -4.614 -13.860 1.00 65.25 H new ATOM 0 HG2 GLN A 40 10.216 -2.141 -14.020 1.00 15.30 H new ATOM 0 HG3 GLN A 40 8.668 -1.976 -13.215 1.00 15.30 H new ATOM 0 HE21 GLN A 40 11.399 -1.060 -12.373 1.00 3.42 H new ATOM 0 HE22 GLN A 40 11.568 -1.722 -10.744 1.00 3.42 H new ATOM 707 N ALA A 41 8.863 -5.850 -16.671 1.00 65.31 N ATOM 708 CA ALA A 41 8.842 -7.247 -17.168 1.00 32.14 C ATOM 709 C ALA A 41 9.622 -8.174 -16.208 1.00 14.32 C ATOM 710 O ALA A 41 9.367 -9.382 -16.152 1.00 45.13 O ATOM 711 CB ALA A 41 9.421 -7.321 -18.596 1.00 35.12 C ATOM 0 H ALA A 41 9.449 -5.225 -17.225 1.00 65.31 H new ATOM 0 HA ALA A 41 7.807 -7.588 -17.203 1.00 32.14 H new ATOM 0 HB1 ALA A 41 9.398 -8.353 -18.945 1.00 35.12 H new ATOM 0 HB2 ALA A 41 8.824 -6.699 -19.263 1.00 35.12 H new ATOM 0 HB3 ALA A 41 10.450 -6.963 -18.590 1.00 35.12 H new ATOM 717 N SER A 42 10.560 -7.569 -15.442 1.00 62.10 N ATOM 718 CA SER A 42 11.398 -8.272 -14.446 1.00 44.33 C ATOM 719 C SER A 42 10.629 -8.536 -13.121 1.00 41.24 C ATOM 720 O SER A 42 11.200 -9.078 -12.161 1.00 62.35 O ATOM 721 CB SER A 42 12.679 -7.438 -14.184 1.00 62.53 C ATOM 722 OG SER A 42 13.605 -8.142 -13.375 1.00 44.23 O ATOM 0 H SER A 42 10.757 -6.570 -15.500 1.00 62.10 H new ATOM 0 HA SER A 42 11.670 -9.248 -14.849 1.00 44.33 H new ATOM 0 HB2 SER A 42 13.147 -7.181 -15.134 1.00 62.53 H new ATOM 0 HB3 SER A 42 12.410 -6.500 -13.698 1.00 62.53 H new ATOM 0 HG SER A 42 13.120 -8.689 -12.723 1.00 44.23 H new ATOM 728 N PHE A 43 9.336 -8.155 -13.081 1.00 25.22 N ATOM 729 CA PHE A 43 8.457 -8.380 -11.920 1.00 2.41 C ATOM 730 C PHE A 43 8.118 -9.895 -11.819 1.00 62.31 C ATOM 731 O PHE A 43 7.545 -10.445 -12.764 1.00 32.35 O ATOM 732 CB PHE A 43 7.164 -7.513 -12.057 1.00 55.14 C ATOM 733 CG PHE A 43 6.563 -7.053 -10.729 1.00 12.13 C ATOM 734 CD1 PHE A 43 7.108 -5.956 -10.059 1.00 4.11 C ATOM 735 CD2 PHE A 43 5.463 -7.697 -10.153 1.00 31.33 C ATOM 736 CE1 PHE A 43 6.575 -5.523 -8.864 1.00 14.33 C ATOM 737 CE2 PHE A 43 4.939 -7.260 -8.956 1.00 1.44 C ATOM 738 CZ PHE A 43 5.493 -6.176 -8.315 1.00 30.31 C ATOM 0 H PHE A 43 8.873 -7.681 -13.856 1.00 25.22 H new ATOM 0 HA PHE A 43 8.964 -8.079 -11.003 1.00 2.41 H new ATOM 0 HB2 PHE A 43 7.393 -6.635 -12.661 1.00 55.14 H new ATOM 0 HB3 PHE A 43 6.414 -8.087 -12.601 1.00 55.14 H new ATOM 0 HD1 PHE A 43 7.957 -5.441 -10.482 1.00 4.11 H new ATOM 0 HD2 PHE A 43 5.020 -8.546 -10.652 1.00 31.33 H new ATOM 0 HE1 PHE A 43 7.006 -4.672 -8.358 1.00 14.33 H new ATOM 0 HE2 PHE A 43 4.092 -7.769 -8.520 1.00 1.44 H new ATOM 0 HZ PHE A 43 5.078 -5.836 -7.378 1.00 30.31 H new ATOM 748 N PRO A 44 8.481 -10.600 -10.685 1.00 33.23 N ATOM 749 CA PRO A 44 8.330 -12.081 -10.567 1.00 32.13 C ATOM 750 C PRO A 44 6.882 -12.531 -10.253 1.00 73.14 C ATOM 751 O PRO A 44 6.612 -13.729 -10.106 1.00 14.34 O ATOM 752 CB PRO A 44 9.301 -12.416 -9.408 1.00 22.25 C ATOM 753 CG PRO A 44 9.242 -11.213 -8.507 1.00 2.11 C ATOM 754 CD PRO A 44 9.050 -10.015 -9.432 1.00 23.45 C ATOM 0 HA PRO A 44 8.551 -12.600 -11.500 1.00 32.13 H new ATOM 0 HB2 PRO A 44 8.995 -13.321 -8.883 1.00 22.25 H new ATOM 0 HB3 PRO A 44 10.313 -12.588 -9.775 1.00 22.25 H new ATOM 0 HG2 PRO A 44 8.419 -11.295 -7.797 1.00 2.11 H new ATOM 0 HG3 PRO A 44 10.158 -11.115 -7.924 1.00 2.11 H new ATOM 0 HD2 PRO A 44 8.375 -9.279 -8.995 1.00 23.45 H new ATOM 0 HD3 PRO A 44 9.995 -9.506 -9.624 1.00 23.45 H new ATOM 762 N MET A 45 5.969 -11.557 -10.145 1.00 32.10 N ATOM 763 CA MET A 45 4.543 -11.788 -9.897 1.00 52.34 C ATOM 764 C MET A 45 3.764 -11.516 -11.189 1.00 20.03 C ATOM 765 O MET A 45 4.035 -10.522 -11.875 1.00 53.42 O ATOM 766 CB MET A 45 4.046 -10.860 -8.758 1.00 1.25 C ATOM 767 CG MET A 45 4.702 -11.110 -7.389 1.00 22.44 C ATOM 768 SD MET A 45 4.385 -9.783 -6.200 1.00 70.22 S ATOM 769 CE MET A 45 2.605 -9.595 -6.315 1.00 51.21 C ATOM 0 H MET A 45 6.207 -10.569 -10.229 1.00 32.10 H new ATOM 0 HA MET A 45 4.383 -12.821 -9.590 1.00 52.34 H new ATOM 0 HB2 MET A 45 4.226 -9.825 -9.048 1.00 1.25 H new ATOM 0 HB3 MET A 45 2.967 -10.980 -8.656 1.00 1.25 H new ATOM 0 HG2 MET A 45 4.333 -12.051 -6.982 1.00 22.44 H new ATOM 0 HG3 MET A 45 5.778 -11.221 -7.523 1.00 22.44 H new ATOM 0 HE1 MET A 45 2.260 -8.914 -5.537 1.00 51.21 H new ATOM 0 HE2 MET A 45 2.344 -9.191 -7.293 1.00 51.21 H new ATOM 0 HE3 MET A 45 2.127 -10.566 -6.185 1.00 51.21 H new ATOM 779 N ASN A 46 2.815 -12.407 -11.521 1.00 42.41 N ATOM 780 CA ASN A 46 1.901 -12.219 -12.665 1.00 45.42 C ATOM 781 C ASN A 46 0.903 -11.080 -12.367 1.00 41.15 C ATOM 782 O ASN A 46 0.828 -10.588 -11.233 1.00 23.41 O ATOM 783 CB ASN A 46 1.136 -13.536 -12.991 1.00 5.02 C ATOM 784 CG ASN A 46 2.044 -14.731 -13.321 1.00 44.11 C ATOM 785 OD1 ASN A 46 3.182 -14.575 -13.765 1.00 22.14 O ATOM 786 ND2 ASN A 46 1.527 -15.934 -13.146 1.00 45.14 N ATOM 0 H ASN A 46 2.658 -13.275 -11.008 1.00 42.41 H new ATOM 0 HA ASN A 46 2.497 -11.949 -13.537 1.00 45.42 H new ATOM 0 HB2 ASN A 46 0.507 -13.797 -12.140 1.00 5.02 H new ATOM 0 HB3 ASN A 46 0.471 -13.356 -13.836 1.00 5.02 H new ATOM 0 HD21 ASN A 46 2.073 -16.763 -13.380 1.00 45.14 H new ATOM 0 HD22 ASN A 46 0.582 -16.034 -12.776 1.00 45.14 H new ATOM 793 N GLU A 47 0.125 -10.685 -13.388 1.00 60.50 N ATOM 794 CA GLU A 47 -0.854 -9.589 -13.277 1.00 71.43 C ATOM 795 C GLU A 47 -1.950 -9.935 -12.252 1.00 2.53 C ATOM 796 O GLU A 47 -2.363 -9.071 -11.467 1.00 11.31 O ATOM 797 CB GLU A 47 -1.473 -9.275 -14.658 1.00 11.42 C ATOM 798 CG GLU A 47 -0.429 -8.912 -15.735 1.00 22.11 C ATOM 799 CD GLU A 47 -1.058 -8.494 -17.072 1.00 34.41 C ATOM 800 OE1 GLU A 47 -1.413 -9.380 -17.877 1.00 61.51 O ATOM 801 OE2 GLU A 47 -1.211 -7.279 -17.319 1.00 53.01 O ATOM 0 H GLU A 47 0.156 -11.115 -14.312 1.00 60.50 H new ATOM 0 HA GLU A 47 -0.333 -8.699 -12.924 1.00 71.43 H new ATOM 0 HB2 GLU A 47 -2.045 -10.139 -14.995 1.00 11.42 H new ATOM 0 HB3 GLU A 47 -2.176 -8.449 -14.552 1.00 11.42 H new ATOM 0 HG2 GLU A 47 0.197 -8.099 -15.366 1.00 22.11 H new ATOM 0 HG3 GLU A 47 0.225 -9.768 -15.901 1.00 22.11 H new ATOM 808 N THR A 48 -2.392 -11.212 -12.262 1.00 42.21 N ATOM 809 CA THR A 48 -3.380 -11.724 -11.309 1.00 52.34 C ATOM 810 C THR A 48 -2.803 -11.667 -9.876 1.00 72.42 C ATOM 811 O THR A 48 -3.471 -11.191 -8.967 1.00 41.52 O ATOM 812 CB THR A 48 -3.826 -13.191 -11.656 1.00 43.02 C ATOM 813 OG1 THR A 48 -4.184 -13.280 -13.049 1.00 55.51 O ATOM 814 CG2 THR A 48 -5.030 -13.641 -10.794 1.00 64.41 C ATOM 0 H THR A 48 -2.070 -11.909 -12.933 1.00 42.21 H new ATOM 0 HA THR A 48 -4.265 -11.091 -11.374 1.00 52.34 H new ATOM 0 HB THR A 48 -2.984 -13.849 -11.442 1.00 43.02 H new ATOM 0 HG1 THR A 48 -4.459 -14.197 -13.258 1.00 55.51 H new ATOM 0 HG21 THR A 48 -5.309 -14.660 -11.063 1.00 64.41 H new ATOM 0 HG22 THR A 48 -4.756 -13.606 -9.740 1.00 64.41 H new ATOM 0 HG23 THR A 48 -5.874 -12.975 -10.972 1.00 64.41 H new ATOM 822 N GLU A 49 -1.526 -12.103 -9.718 1.00 61.33 N ATOM 823 CA GLU A 49 -0.832 -12.139 -8.406 1.00 43.43 C ATOM 824 C GLU A 49 -0.722 -10.732 -7.803 1.00 61.32 C ATOM 825 O GLU A 49 -0.872 -10.559 -6.596 1.00 55.51 O ATOM 826 CB GLU A 49 0.587 -12.763 -8.554 1.00 42.20 C ATOM 827 CG GLU A 49 0.599 -14.160 -9.202 1.00 21.31 C ATOM 828 CD GLU A 49 -0.329 -15.164 -8.494 1.00 64.41 C ATOM 829 OE1 GLU A 49 0.046 -15.682 -7.420 1.00 42.53 O ATOM 830 OE2 GLU A 49 -1.433 -15.435 -9.013 1.00 41.00 O ATOM 0 H GLU A 49 -0.952 -12.437 -10.492 1.00 61.33 H new ATOM 0 HA GLU A 49 -1.424 -12.759 -7.733 1.00 43.43 H new ATOM 0 HB2 GLU A 49 1.206 -12.093 -9.151 1.00 42.20 H new ATOM 0 HB3 GLU A 49 1.047 -12.828 -7.568 1.00 42.20 H new ATOM 0 HG2 GLU A 49 0.299 -14.072 -10.246 1.00 21.31 H new ATOM 0 HG3 GLU A 49 1.617 -14.548 -9.194 1.00 21.31 H new ATOM 837 N TYR A 50 -0.454 -9.747 -8.683 1.00 32.43 N ATOM 838 CA TYR A 50 -0.364 -8.331 -8.321 1.00 24.43 C ATOM 839 C TYR A 50 -1.719 -7.813 -7.795 1.00 74.21 C ATOM 840 O TYR A 50 -1.776 -7.190 -6.730 1.00 12.43 O ATOM 841 CB TYR A 50 0.123 -7.493 -9.543 1.00 73.53 C ATOM 842 CG TYR A 50 -0.006 -5.978 -9.334 1.00 70.25 C ATOM 843 CD1 TYR A 50 0.820 -5.310 -8.426 1.00 22.41 C ATOM 844 CD2 TYR A 50 -0.988 -5.235 -10.003 1.00 63.10 C ATOM 845 CE1 TYR A 50 0.664 -3.967 -8.190 1.00 4.10 C ATOM 846 CE2 TYR A 50 -1.130 -3.890 -9.781 1.00 34.02 C ATOM 847 CZ TYR A 50 -0.311 -3.260 -8.869 1.00 34.55 C ATOM 848 OH TYR A 50 -0.497 -1.920 -8.604 1.00 23.01 O ATOM 0 H TYR A 50 -0.293 -9.921 -9.675 1.00 32.43 H new ATOM 0 HA TYR A 50 0.366 -8.222 -7.519 1.00 24.43 H new ATOM 0 HB2 TYR A 50 1.165 -7.736 -9.749 1.00 73.53 H new ATOM 0 HB3 TYR A 50 -0.451 -7.781 -10.424 1.00 73.53 H new ATOM 0 HD1 TYR A 50 1.591 -5.857 -7.904 1.00 22.41 H new ATOM 0 HD2 TYR A 50 -1.643 -5.730 -10.705 1.00 63.10 H new ATOM 0 HE1 TYR A 50 1.300 -3.464 -7.477 1.00 4.10 H new ATOM 0 HE2 TYR A 50 -1.879 -3.327 -10.318 1.00 34.02 H new ATOM 0 HH TYR A 50 0.166 -1.621 -7.947 1.00 23.01 H new ATOM 858 N GLN A 51 -2.794 -8.085 -8.557 1.00 54.13 N ATOM 859 CA GLN A 51 -4.143 -7.583 -8.247 1.00 0.41 C ATOM 860 C GLN A 51 -4.700 -8.231 -6.963 1.00 31.25 C ATOM 861 O GLN A 51 -5.331 -7.554 -6.142 1.00 51.55 O ATOM 862 CB GLN A 51 -5.095 -7.801 -9.460 1.00 71.43 C ATOM 863 CG GLN A 51 -6.541 -7.294 -9.238 1.00 15.01 C ATOM 864 CD GLN A 51 -6.627 -5.806 -8.840 1.00 50.02 C ATOM 865 OE1 GLN A 51 -5.825 -4.979 -9.273 1.00 53.42 O ATOM 866 NE2 GLN A 51 -7.580 -5.466 -7.985 1.00 22.10 N ATOM 0 H GLN A 51 -2.752 -8.656 -9.401 1.00 54.13 H new ATOM 0 HA GLN A 51 -4.076 -6.511 -8.060 1.00 0.41 H new ATOM 0 HB2 GLN A 51 -4.676 -7.296 -10.330 1.00 71.43 H new ATOM 0 HB3 GLN A 51 -5.128 -8.865 -9.694 1.00 71.43 H new ATOM 0 HG2 GLN A 51 -7.114 -7.449 -10.152 1.00 15.01 H new ATOM 0 HG3 GLN A 51 -7.011 -7.896 -8.460 1.00 15.01 H new ATOM 0 HE21 GLN A 51 -8.232 -6.171 -7.641 1.00 22.10 H new ATOM 0 HE22 GLN A 51 -7.662 -4.499 -7.670 1.00 22.10 H new ATOM 875 N GLU A 52 -4.435 -9.534 -6.794 1.00 22.21 N ATOM 876 CA GLU A 52 -4.851 -10.290 -5.607 1.00 10.14 C ATOM 877 C GLU A 52 -3.995 -9.919 -4.390 1.00 75.40 C ATOM 878 O GLU A 52 -4.433 -10.104 -3.251 1.00 50.12 O ATOM 879 CB GLU A 52 -4.780 -11.812 -5.884 1.00 12.21 C ATOM 880 CG GLU A 52 -5.678 -12.294 -7.043 1.00 23.03 C ATOM 881 CD GLU A 52 -7.168 -11.950 -6.850 1.00 61.02 C ATOM 882 OE1 GLU A 52 -7.892 -12.745 -6.215 1.00 55.55 O ATOM 883 OE2 GLU A 52 -7.626 -10.883 -7.331 1.00 74.23 O ATOM 0 H GLU A 52 -3.925 -10.093 -7.478 1.00 22.21 H new ATOM 0 HA GLU A 52 -5.884 -10.027 -5.381 1.00 10.14 H new ATOM 0 HB2 GLU A 52 -3.747 -12.080 -6.106 1.00 12.21 H new ATOM 0 HB3 GLU A 52 -5.061 -12.347 -4.977 1.00 12.21 H new ATOM 0 HG2 GLU A 52 -5.328 -11.847 -7.974 1.00 23.03 H new ATOM 0 HG3 GLU A 52 -5.573 -13.374 -7.148 1.00 23.03 H new ATOM 890 N HIS A 53 -2.758 -9.420 -4.642 1.00 71.21 N ATOM 891 CA HIS A 53 -1.881 -8.898 -3.585 1.00 4.43 C ATOM 892 C HIS A 53 -2.505 -7.620 -3.022 1.00 13.32 C ATOM 893 O HIS A 53 -2.599 -7.472 -1.811 1.00 43.30 O ATOM 894 CB HIS A 53 -0.445 -8.624 -4.113 1.00 44.35 C ATOM 895 CG HIS A 53 0.551 -8.256 -3.045 1.00 61.43 C ATOM 896 ND1 HIS A 53 1.217 -9.201 -2.296 1.00 72.21 N ATOM 897 CD2 HIS A 53 0.966 -7.053 -2.574 1.00 15.32 C ATOM 898 CE1 HIS A 53 1.999 -8.597 -1.428 1.00 41.23 C ATOM 899 NE2 HIS A 53 1.869 -7.299 -1.578 1.00 63.52 N ATOM 0 H HIS A 53 -2.352 -9.372 -5.576 1.00 71.21 H new ATOM 0 HA HIS A 53 -1.789 -9.646 -2.798 1.00 4.43 H new ATOM 0 HB2 HIS A 53 -0.088 -9.511 -4.636 1.00 44.35 H new ATOM 0 HB3 HIS A 53 -0.488 -7.818 -4.846 1.00 44.35 H new ATOM 0 HD2 HIS A 53 0.643 -6.083 -2.921 1.00 15.32 H new ATOM 0 HE1 HIS A 53 2.641 -9.087 -0.711 1.00 41.23 H new ATOM 0 HE2 HIS A 53 2.363 -6.588 -1.038 1.00 63.52 H new ATOM 908 N LEU A 54 -2.949 -6.721 -3.931 1.00 23.02 N ATOM 909 CA LEU A 54 -3.608 -5.452 -3.560 1.00 70.44 C ATOM 910 C LEU A 54 -4.942 -5.706 -2.846 1.00 42.35 C ATOM 911 O LEU A 54 -5.309 -4.969 -1.933 1.00 21.51 O ATOM 912 CB LEU A 54 -3.868 -4.576 -4.806 1.00 54.33 C ATOM 913 CG LEU A 54 -2.621 -4.126 -5.615 1.00 63.32 C ATOM 914 CD1 LEU A 54 -3.056 -3.238 -6.779 1.00 40.10 C ATOM 915 CD2 LEU A 54 -1.563 -3.415 -4.733 1.00 23.10 C ATOM 0 H LEU A 54 -2.860 -6.856 -4.938 1.00 23.02 H new ATOM 0 HA LEU A 54 -2.932 -4.929 -2.883 1.00 70.44 H new ATOM 0 HB2 LEU A 54 -4.528 -5.126 -5.477 1.00 54.33 H new ATOM 0 HB3 LEU A 54 -4.407 -3.684 -4.488 1.00 54.33 H new ATOM 0 HG LEU A 54 -2.138 -5.021 -6.006 1.00 63.32 H new ATOM 0 HD11 LEU A 54 -2.179 -2.924 -7.345 1.00 40.10 H new ATOM 0 HD12 LEU A 54 -3.728 -3.796 -7.431 1.00 40.10 H new ATOM 0 HD13 LEU A 54 -3.573 -2.359 -6.393 1.00 40.10 H new ATOM 0 HD21 LEU A 54 -0.713 -3.122 -5.349 1.00 23.10 H new ATOM 0 HD22 LEU A 54 -2.005 -2.528 -4.279 1.00 23.10 H new ATOM 0 HD23 LEU A 54 -1.226 -4.094 -3.950 1.00 23.10 H new ATOM 927 N ASP A 55 -5.661 -6.747 -3.301 1.00 62.24 N ATOM 928 CA ASP A 55 -6.969 -7.124 -2.751 1.00 45.13 C ATOM 929 C ASP A 55 -6.788 -7.677 -1.326 1.00 54.52 C ATOM 930 O ASP A 55 -7.577 -7.367 -0.424 1.00 52.45 O ATOM 931 CB ASP A 55 -7.651 -8.177 -3.673 1.00 74.13 C ATOM 932 CG ASP A 55 -9.162 -8.328 -3.404 1.00 22.14 C ATOM 933 OD1 ASP A 55 -9.554 -9.110 -2.513 1.00 72.00 O ATOM 934 OD2 ASP A 55 -9.962 -7.658 -4.087 1.00 10.44 O ATOM 0 H ASP A 55 -5.348 -7.350 -4.062 1.00 62.24 H new ATOM 0 HA ASP A 55 -7.613 -6.245 -2.705 1.00 45.13 H new ATOM 0 HB2 ASP A 55 -7.500 -7.892 -4.714 1.00 74.13 H new ATOM 0 HB3 ASP A 55 -7.165 -9.143 -3.533 1.00 74.13 H new ATOM 939 N SER A 56 -5.719 -8.479 -1.149 1.00 10.01 N ATOM 940 CA SER A 56 -5.378 -9.103 0.137 1.00 72.24 C ATOM 941 C SER A 56 -4.863 -8.056 1.143 1.00 74.12 C ATOM 942 O SER A 56 -5.160 -8.141 2.345 1.00 15.51 O ATOM 943 CB SER A 56 -4.330 -10.223 -0.070 1.00 41.14 C ATOM 944 OG SER A 56 -4.145 -10.979 1.114 1.00 15.41 O ATOM 0 H SER A 56 -5.068 -8.710 -1.899 1.00 10.01 H new ATOM 0 HA SER A 56 -6.284 -9.546 0.551 1.00 72.24 H new ATOM 0 HB2 SER A 56 -4.652 -10.881 -0.878 1.00 41.14 H new ATOM 0 HB3 SER A 56 -3.380 -9.784 -0.376 1.00 41.14 H new ATOM 0 HG SER A 56 -3.479 -11.680 0.954 1.00 15.41 H new ATOM 950 N VAL A 57 -4.093 -7.070 0.628 1.00 12.52 N ATOM 951 CA VAL A 57 -3.598 -5.938 1.419 1.00 33.43 C ATOM 952 C VAL A 57 -4.788 -5.105 1.915 1.00 51.41 C ATOM 953 O VAL A 57 -4.918 -4.873 3.112 1.00 62.01 O ATOM 954 CB VAL A 57 -2.571 -5.044 0.599 1.00 2.13 C ATOM 955 CG1 VAL A 57 -2.305 -3.691 1.297 1.00 44.43 C ATOM 956 CG2 VAL A 57 -1.223 -5.788 0.376 1.00 41.32 C ATOM 0 H VAL A 57 -3.802 -7.044 -0.349 1.00 12.52 H new ATOM 0 HA VAL A 57 -3.051 -6.329 2.277 1.00 33.43 H new ATOM 0 HB VAL A 57 -3.032 -4.850 -0.369 1.00 2.13 H new ATOM 0 HG11 VAL A 57 -1.598 -3.109 0.705 1.00 44.43 H new ATOM 0 HG12 VAL A 57 -3.241 -3.140 1.390 1.00 44.43 H new ATOM 0 HG13 VAL A 57 -1.888 -3.869 2.288 1.00 44.43 H new ATOM 0 HG21 VAL A 57 -0.544 -5.149 -0.188 1.00 41.32 H new ATOM 0 HG22 VAL A 57 -0.777 -6.030 1.341 1.00 41.32 H new ATOM 0 HG23 VAL A 57 -1.403 -6.707 -0.181 1.00 41.32 H new ATOM 966 N ALA A 58 -5.674 -4.725 0.975 1.00 12.35 N ATOM 967 CA ALA A 58 -6.871 -3.904 1.245 1.00 45.12 C ATOM 968 C ALA A 58 -7.847 -4.607 2.210 1.00 65.12 C ATOM 969 O ALA A 58 -8.590 -3.938 2.946 1.00 11.01 O ATOM 970 CB ALA A 58 -7.561 -3.555 -0.078 1.00 30.44 C ATOM 0 H ALA A 58 -5.578 -4.983 -0.007 1.00 12.35 H new ATOM 0 HA ALA A 58 -6.552 -2.985 1.737 1.00 45.12 H new ATOM 0 HB1 ALA A 58 -8.445 -2.949 0.121 1.00 30.44 H new ATOM 0 HB2 ALA A 58 -6.872 -2.995 -0.711 1.00 30.44 H new ATOM 0 HB3 ALA A 58 -7.857 -4.472 -0.587 1.00 30.44 H new ATOM 976 N ASN A 59 -7.828 -5.961 2.191 1.00 53.53 N ATOM 977 CA ASN A 59 -8.620 -6.803 3.109 1.00 24.54 C ATOM 978 C ASN A 59 -8.093 -6.640 4.549 1.00 3.43 C ATOM 979 O ASN A 59 -8.876 -6.432 5.482 1.00 51.20 O ATOM 980 CB ASN A 59 -8.559 -8.299 2.683 1.00 52.05 C ATOM 981 CG ASN A 59 -9.514 -9.208 3.475 1.00 41.25 C ATOM 982 OD1 ASN A 59 -10.642 -8.825 3.792 1.00 24.15 O ATOM 983 ND2 ASN A 59 -9.068 -10.399 3.832 1.00 21.43 N ATOM 0 H ASN A 59 -7.260 -6.498 1.536 1.00 53.53 H new ATOM 0 HA ASN A 59 -9.660 -6.480 3.066 1.00 24.54 H new ATOM 0 HB2 ASN A 59 -8.796 -8.375 1.622 1.00 52.05 H new ATOM 0 HB3 ASN A 59 -7.539 -8.662 2.809 1.00 52.05 H new ATOM 0 HD21 ASN A 59 -9.660 -11.022 4.381 1.00 21.43 H new ATOM 0 HD22 ASN A 59 -8.131 -10.696 3.559 1.00 21.43 H new ATOM 990 N TYR A 60 -6.751 -6.729 4.706 1.00 42.41 N ATOM 991 CA TYR A 60 -6.075 -6.511 6.000 1.00 44.15 C ATOM 992 C TYR A 60 -6.275 -5.070 6.488 1.00 72.24 C ATOM 993 O TYR A 60 -6.496 -4.848 7.669 1.00 51.31 O ATOM 994 CB TYR A 60 -4.557 -6.833 5.914 1.00 43.24 C ATOM 995 CG TYR A 60 -4.196 -8.301 6.138 1.00 21.21 C ATOM 996 CD1 TYR A 60 -4.490 -8.910 7.358 1.00 24.22 C ATOM 997 CD2 TYR A 60 -3.544 -9.065 5.162 1.00 31.32 C ATOM 998 CE1 TYR A 60 -4.154 -10.222 7.606 1.00 23.30 C ATOM 999 CE2 TYR A 60 -3.210 -10.387 5.401 1.00 13.42 C ATOM 1000 CZ TYR A 60 -3.516 -10.962 6.630 1.00 63.53 C ATOM 1001 OH TYR A 60 -3.168 -12.270 6.891 1.00 51.02 O ATOM 0 H TYR A 60 -6.113 -6.953 3.942 1.00 42.41 H new ATOM 0 HA TYR A 60 -6.529 -7.194 6.718 1.00 44.15 H new ATOM 0 HB2 TYR A 60 -4.191 -6.530 4.933 1.00 43.24 H new ATOM 0 HB3 TYR A 60 -4.030 -6.228 6.652 1.00 43.24 H new ATOM 0 HD1 TYR A 60 -4.992 -8.340 8.125 1.00 24.22 H new ATOM 0 HD2 TYR A 60 -3.299 -8.617 4.210 1.00 31.32 H new ATOM 0 HE1 TYR A 60 -4.388 -10.671 8.560 1.00 23.30 H new ATOM 0 HE2 TYR A 60 -2.715 -10.969 4.638 1.00 13.42 H new ATOM 0 HH TYR A 60 -2.728 -12.655 6.104 1.00 51.02 H new ATOM 1011 N LEU A 61 -6.208 -4.106 5.556 1.00 3.42 N ATOM 1012 CA LEU A 61 -6.381 -2.675 5.858 1.00 52.15 C ATOM 1013 C LEU A 61 -7.800 -2.396 6.400 1.00 74.13 C ATOM 1014 O LEU A 61 -7.993 -1.504 7.229 1.00 54.52 O ATOM 1015 CB LEU A 61 -6.093 -1.830 4.593 1.00 60.03 C ATOM 1016 CG LEU A 61 -4.636 -1.874 4.039 1.00 33.35 C ATOM 1017 CD1 LEU A 61 -4.508 -1.051 2.743 1.00 32.13 C ATOM 1018 CD2 LEU A 61 -3.609 -1.415 5.099 1.00 34.43 C ATOM 0 H LEU A 61 -6.032 -4.297 4.570 1.00 3.42 H new ATOM 0 HA LEU A 61 -5.670 -2.392 6.634 1.00 52.15 H new ATOM 0 HB2 LEU A 61 -6.768 -2.159 3.803 1.00 60.03 H new ATOM 0 HB3 LEU A 61 -6.342 -0.792 4.813 1.00 60.03 H new ATOM 0 HG LEU A 61 -4.410 -2.913 3.798 1.00 33.35 H new ATOM 0 HD11 LEU A 61 -3.481 -1.100 2.380 1.00 32.13 H new ATOM 0 HD12 LEU A 61 -5.180 -1.457 1.987 1.00 32.13 H new ATOM 0 HD13 LEU A 61 -4.772 -0.013 2.944 1.00 32.13 H new ATOM 0 HD21 LEU A 61 -2.605 -1.459 4.676 1.00 34.43 H new ATOM 0 HD22 LEU A 61 -3.831 -0.391 5.401 1.00 34.43 H new ATOM 0 HD23 LEU A 61 -3.666 -2.070 5.968 1.00 34.43 H new ATOM 1030 N HIS A 62 -8.780 -3.174 5.906 1.00 1.12 N ATOM 1031 CA HIS A 62 -10.170 -3.146 6.397 1.00 75.03 C ATOM 1032 C HIS A 62 -10.269 -3.788 7.799 1.00 13.51 C ATOM 1033 O HIS A 62 -10.966 -3.269 8.686 1.00 13.21 O ATOM 1034 CB HIS A 62 -11.097 -3.887 5.393 1.00 61.31 C ATOM 1035 CG HIS A 62 -12.522 -4.053 5.863 1.00 1.30 C ATOM 1036 ND1 HIS A 62 -13.030 -5.254 6.316 1.00 60.10 N ATOM 1037 CD2 HIS A 62 -13.541 -3.168 5.960 1.00 45.14 C ATOM 1038 CE1 HIS A 62 -14.286 -5.095 6.664 1.00 0.04 C ATOM 1039 NE2 HIS A 62 -14.619 -3.839 6.464 1.00 11.22 N ATOM 0 H HIS A 62 -8.629 -3.843 5.151 1.00 1.12 H new ATOM 0 HA HIS A 62 -10.492 -2.108 6.479 1.00 75.03 H new ATOM 0 HB2 HIS A 62 -11.100 -3.341 4.450 1.00 61.31 H new ATOM 0 HB3 HIS A 62 -10.678 -4.872 5.190 1.00 61.31 H new ATOM 0 HD2 HIS A 62 -13.508 -2.123 5.689 1.00 45.14 H new ATOM 0 HE1 HIS A 62 -14.936 -5.866 7.050 1.00 0.04 H new ATOM 0 HE2 HIS A 62 -15.534 -3.431 6.654 1.00 11.22 H new ATOM 1048 N ALA A 63 -9.549 -4.910 7.981 1.00 31.21 N ATOM 1049 CA ALA A 63 -9.585 -5.712 9.221 1.00 55.34 C ATOM 1050 C ALA A 63 -8.924 -4.974 10.399 1.00 65.32 C ATOM 1051 O ALA A 63 -9.353 -5.109 11.546 1.00 33.51 O ATOM 1052 CB ALA A 63 -8.887 -7.065 8.990 1.00 63.14 C ATOM 0 H ALA A 63 -8.923 -5.289 7.270 1.00 31.21 H new ATOM 0 HA ALA A 63 -10.631 -5.878 9.479 1.00 55.34 H new ATOM 0 HB1 ALA A 63 -8.917 -7.651 9.908 1.00 63.14 H new ATOM 0 HB2 ALA A 63 -9.399 -7.608 8.196 1.00 63.14 H new ATOM 0 HB3 ALA A 63 -7.850 -6.895 8.702 1.00 63.14 H new ATOM 1058 N LEU A 64 -7.872 -4.201 10.084 1.00 3.33 N ATOM 1059 CA LEU A 64 -7.052 -3.490 11.081 1.00 44.04 C ATOM 1060 C LEU A 64 -7.545 -2.039 11.278 1.00 33.52 C ATOM 1061 O LEU A 64 -7.332 -1.444 12.338 1.00 20.44 O ATOM 1062 CB LEU A 64 -5.563 -3.499 10.635 1.00 13.32 C ATOM 1063 CG LEU A 64 -4.915 -4.903 10.364 1.00 33.52 C ATOM 1064 CD1 LEU A 64 -3.446 -4.766 9.898 1.00 53.33 C ATOM 1065 CD2 LEU A 64 -5.036 -5.829 11.592 1.00 4.24 C ATOM 0 H LEU A 64 -7.564 -4.050 9.124 1.00 3.33 H new ATOM 0 HA LEU A 64 -7.146 -4.006 12.037 1.00 44.04 H new ATOM 0 HB2 LEU A 64 -5.477 -2.904 9.726 1.00 13.32 H new ATOM 0 HB3 LEU A 64 -4.975 -2.996 11.403 1.00 13.32 H new ATOM 0 HG LEU A 64 -5.473 -5.369 9.552 1.00 33.52 H new ATOM 0 HD11 LEU A 64 -3.027 -5.756 9.719 1.00 53.33 H new ATOM 0 HD12 LEU A 64 -3.409 -4.185 8.977 1.00 53.33 H new ATOM 0 HD13 LEU A 64 -2.865 -4.260 10.669 1.00 53.33 H new ATOM 0 HD21 LEU A 64 -4.577 -6.792 11.368 1.00 4.24 H new ATOM 0 HD22 LEU A 64 -4.528 -5.374 12.442 1.00 4.24 H new ATOM 0 HD23 LEU A 64 -6.088 -5.976 11.834 1.00 4.24 H new ATOM 1077 N GLY A 65 -8.209 -1.494 10.245 1.00 53.02 N ATOM 1078 CA GLY A 65 -8.639 -0.092 10.234 1.00 51.04 C ATOM 1079 C GLY A 65 -7.568 0.850 9.685 1.00 10.43 C ATOM 1080 O GLY A 65 -7.608 2.062 9.932 1.00 13.52 O ATOM 0 H GLY A 65 -8.460 -2.011 9.402 1.00 53.02 H new ATOM 0 HA2 GLY A 65 -9.543 0.002 9.632 1.00 51.04 H new ATOM 0 HA3 GLY A 65 -8.899 0.212 11.248 1.00 51.04 H new ATOM 1084 N GLY A 66 -6.617 0.279 8.921 1.00 43.43 N ATOM 1085 CA GLY A 66 -5.509 1.034 8.328 1.00 33.34 C ATOM 1086 C GLY A 66 -5.777 1.486 6.898 1.00 24.33 C ATOM 1087 O GLY A 66 -4.904 2.093 6.280 1.00 3.33 O ATOM 0 H GLY A 66 -6.600 -0.717 8.701 1.00 43.43 H new ATOM 0 HA2 GLY A 66 -5.305 1.909 8.945 1.00 33.34 H new ATOM 0 HA3 GLY A 66 -4.610 0.417 8.343 1.00 33.34 H new ATOM 1091 N ALA A 67 -6.987 1.207 6.376 1.00 53.54 N ATOM 1092 CA ALA A 67 -7.351 1.521 4.981 1.00 35.21 C ATOM 1093 C ALA A 67 -7.479 3.032 4.755 1.00 41.34 C ATOM 1094 O ALA A 67 -6.895 3.578 3.812 1.00 61.32 O ATOM 1095 CB ALA A 67 -8.648 0.799 4.603 1.00 12.33 C ATOM 0 H ALA A 67 -7.735 0.760 6.906 1.00 53.54 H new ATOM 0 HA ALA A 67 -6.549 1.167 4.334 1.00 35.21 H new ATOM 0 HB1 ALA A 67 -8.909 1.036 3.572 1.00 12.33 H new ATOM 0 HB2 ALA A 67 -8.508 -0.277 4.703 1.00 12.33 H new ATOM 0 HB3 ALA A 67 -9.451 1.123 5.265 1.00 12.33 H new ATOM 1101 N VAL A 68 -8.254 3.688 5.631 1.00 5.51 N ATOM 1102 CA VAL A 68 -8.443 5.148 5.605 1.00 23.05 C ATOM 1103 C VAL A 68 -7.106 5.860 5.928 1.00 71.34 C ATOM 1104 O VAL A 68 -6.861 6.964 5.449 1.00 11.20 O ATOM 1105 CB VAL A 68 -9.581 5.586 6.609 1.00 34.11 C ATOM 1106 CG1 VAL A 68 -9.862 7.109 6.548 1.00 10.23 C ATOM 1107 CG2 VAL A 68 -10.881 4.788 6.349 1.00 63.13 C ATOM 0 H VAL A 68 -8.768 3.222 6.378 1.00 5.51 H new ATOM 0 HA VAL A 68 -8.758 5.444 4.604 1.00 23.05 H new ATOM 0 HB VAL A 68 -9.222 5.360 7.613 1.00 34.11 H new ATOM 0 HG11 VAL A 68 -10.652 7.362 7.256 1.00 10.23 H new ATOM 0 HG12 VAL A 68 -8.955 7.657 6.805 1.00 10.23 H new ATOM 0 HG13 VAL A 68 -10.177 7.381 5.541 1.00 10.23 H new ATOM 0 HG21 VAL A 68 -11.650 5.107 7.052 1.00 63.13 H new ATOM 0 HG22 VAL A 68 -11.223 4.971 5.330 1.00 63.13 H new ATOM 0 HG23 VAL A 68 -10.687 3.724 6.481 1.00 63.13 H new ATOM 1117 N GLN A 69 -6.228 5.185 6.717 1.00 12.51 N ATOM 1118 CA GLN A 69 -4.866 5.684 7.030 1.00 42.21 C ATOM 1119 C GLN A 69 -4.009 5.795 5.755 1.00 5.11 C ATOM 1120 O GLN A 69 -3.323 6.806 5.558 1.00 13.11 O ATOM 1121 CB GLN A 69 -4.160 4.765 8.069 1.00 64.24 C ATOM 1122 CG GLN A 69 -4.868 4.698 9.437 1.00 61.44 C ATOM 1123 CD GLN A 69 -4.889 6.039 10.185 1.00 64.20 C ATOM 1124 OE1 GLN A 69 -5.908 6.253 10.995 1.00 11.52 O flip ATOM 1125 NE2 GLN A 69 -3.989 6.868 10.049 1.00 25.14 N flip ATOM 0 H GLN A 69 -6.444 4.287 7.150 1.00 12.51 H new ATOM 0 HA GLN A 69 -4.973 6.679 7.462 1.00 42.21 H new ATOM 0 HB2 GLN A 69 -4.091 3.758 7.659 1.00 64.24 H new ATOM 0 HB3 GLN A 69 -3.140 5.120 8.217 1.00 64.24 H new ATOM 0 HG2 GLN A 69 -5.893 4.358 9.290 1.00 61.44 H new ATOM 0 HG3 GLN A 69 -4.371 3.953 10.058 1.00 61.44 H new ATOM 0 HE21 GLN A 69 -3.212 6.678 9.416 1.00 25.14 H new ATOM 0 HE22 GLN A 69 -4.020 7.745 10.569 1.00 25.14 H new ATOM 1134 N VAL A 70 -4.067 4.747 4.903 1.00 34.44 N ATOM 1135 CA VAL A 70 -3.340 4.698 3.617 1.00 41.53 C ATOM 1136 C VAL A 70 -3.842 5.794 2.667 1.00 23.45 C ATOM 1137 O VAL A 70 -3.042 6.560 2.118 1.00 43.15 O ATOM 1138 CB VAL A 70 -3.473 3.288 2.926 1.00 3.11 C ATOM 1139 CG1 VAL A 70 -2.804 3.247 1.525 1.00 2.41 C ATOM 1140 CG2 VAL A 70 -2.889 2.181 3.824 1.00 71.41 C ATOM 0 H VAL A 70 -4.620 3.911 5.089 1.00 34.44 H new ATOM 0 HA VAL A 70 -2.286 4.870 3.836 1.00 41.53 H new ATOM 0 HB VAL A 70 -4.539 3.110 2.784 1.00 3.11 H new ATOM 0 HG11 VAL A 70 -2.925 2.253 1.093 1.00 2.41 H new ATOM 0 HG12 VAL A 70 -3.275 3.985 0.875 1.00 2.41 H new ATOM 0 HG13 VAL A 70 -1.742 3.474 1.622 1.00 2.41 H new ATOM 0 HG21 VAL A 70 -2.992 1.217 3.326 1.00 71.41 H new ATOM 0 HG22 VAL A 70 -1.834 2.382 4.010 1.00 71.41 H new ATOM 0 HG23 VAL A 70 -3.427 2.160 4.772 1.00 71.41 H new ATOM 1150 N LYS A 71 -5.175 5.868 2.510 1.00 14.14 N ATOM 1151 CA LYS A 71 -5.825 6.805 1.585 1.00 20.13 C ATOM 1152 C LYS A 71 -5.544 8.268 1.973 1.00 42.45 C ATOM 1153 O LYS A 71 -5.166 9.072 1.116 1.00 71.12 O ATOM 1154 CB LYS A 71 -7.348 6.506 1.505 1.00 31.33 C ATOM 1155 CG LYS A 71 -7.683 5.125 0.888 1.00 0.15 C ATOM 1156 CD LYS A 71 -9.186 4.931 0.583 1.00 51.21 C ATOM 1157 CE LYS A 71 -9.705 5.906 -0.493 1.00 33.24 C ATOM 1158 NZ LYS A 71 -11.158 5.738 -0.749 1.00 34.23 N ATOM 0 H LYS A 71 -5.830 5.278 3.023 1.00 14.14 H new ATOM 0 HA LYS A 71 -5.401 6.662 0.591 1.00 20.13 H new ATOM 0 HB2 LYS A 71 -7.772 6.558 2.508 1.00 31.33 H new ATOM 0 HB3 LYS A 71 -7.831 7.284 0.914 1.00 31.33 H new ATOM 0 HG2 LYS A 71 -7.115 5.001 -0.034 1.00 0.15 H new ATOM 0 HG3 LYS A 71 -7.356 4.342 1.572 1.00 0.15 H new ATOM 0 HD2 LYS A 71 -9.356 3.907 0.252 1.00 51.21 H new ATOM 0 HD3 LYS A 71 -9.759 5.069 1.500 1.00 51.21 H new ATOM 0 HE2 LYS A 71 -9.510 6.931 -0.177 1.00 33.24 H new ATOM 0 HE3 LYS A 71 -9.154 5.748 -1.420 1.00 33.24 H new ATOM 0 HZ1 LYS A 71 -11.466 6.425 -1.467 1.00 34.23 H new ATOM 0 HZ2 LYS A 71 -11.341 4.773 -1.092 1.00 34.23 H new ATOM 0 HZ3 LYS A 71 -11.687 5.898 0.132 1.00 34.23 H new ATOM 1172 N THR A 72 -5.680 8.571 3.280 1.00 4.10 N ATOM 1173 CA THR A 72 -5.442 9.918 3.833 1.00 74.13 C ATOM 1174 C THR A 72 -3.969 10.324 3.671 1.00 53.24 C ATOM 1175 O THR A 72 -3.682 11.449 3.255 1.00 43.40 O ATOM 1176 CB THR A 72 -5.855 9.993 5.345 1.00 15.23 C ATOM 1177 OG1 THR A 72 -7.254 9.685 5.470 1.00 34.51 O ATOM 1178 CG2 THR A 72 -5.586 11.373 5.977 1.00 10.43 C ATOM 0 H THR A 72 -5.959 7.886 3.983 1.00 4.10 H new ATOM 0 HA THR A 72 -6.063 10.616 3.271 1.00 74.13 H new ATOM 0 HB THR A 72 -5.242 9.268 5.880 1.00 15.23 H new ATOM 0 HG1 THR A 72 -7.374 8.713 5.500 1.00 34.51 H new ATOM 0 HG21 THR A 72 -5.893 11.360 7.023 1.00 10.43 H new ATOM 0 HG22 THR A 72 -4.522 11.601 5.914 1.00 10.43 H new ATOM 0 HG23 THR A 72 -6.153 12.135 5.442 1.00 10.43 H new ATOM 1186 N PHE A 73 -3.048 9.386 3.986 1.00 43.23 N ATOM 1187 CA PHE A 73 -1.600 9.634 3.926 1.00 31.43 C ATOM 1188 C PHE A 73 -1.169 9.970 2.488 1.00 32.41 C ATOM 1189 O PHE A 73 -0.475 10.952 2.279 1.00 73.11 O ATOM 1190 CB PHE A 73 -0.806 8.414 4.465 1.00 53.13 C ATOM 1191 CG PHE A 73 0.711 8.625 4.537 1.00 74.43 C ATOM 1192 CD1 PHE A 73 1.285 9.310 5.606 1.00 21.30 C ATOM 1193 CD2 PHE A 73 1.562 8.140 3.539 1.00 14.32 C ATOM 1194 CE1 PHE A 73 2.656 9.503 5.671 1.00 20.33 C ATOM 1195 CE2 PHE A 73 2.927 8.332 3.610 1.00 0.24 C ATOM 1196 CZ PHE A 73 3.473 9.014 4.674 1.00 63.12 C ATOM 0 H PHE A 73 -3.291 8.442 4.287 1.00 43.23 H new ATOM 0 HA PHE A 73 -1.375 10.490 4.562 1.00 31.43 H new ATOM 0 HB2 PHE A 73 -1.174 8.168 5.461 1.00 53.13 H new ATOM 0 HB3 PHE A 73 -1.011 7.553 3.828 1.00 53.13 H new ATOM 0 HD1 PHE A 73 0.654 9.695 6.393 1.00 21.30 H new ATOM 0 HD2 PHE A 73 1.144 7.606 2.698 1.00 14.32 H new ATOM 0 HE1 PHE A 73 3.085 10.038 6.505 1.00 20.33 H new ATOM 0 HE2 PHE A 73 3.567 7.947 2.830 1.00 0.24 H new ATOM 0 HZ PHE A 73 4.541 9.166 4.728 1.00 63.12 H new ATOM 1206 N ILE A 74 -1.631 9.159 1.512 1.00 54.51 N ATOM 1207 CA ILE A 74 -1.295 9.324 0.080 1.00 21.42 C ATOM 1208 C ILE A 74 -1.909 10.630 -0.495 1.00 35.21 C ATOM 1209 O ILE A 74 -1.328 11.244 -1.403 1.00 43.53 O ATOM 1210 CB ILE A 74 -1.708 8.030 -0.749 1.00 14.42 C ATOM 1211 CG1 ILE A 74 -0.811 6.811 -0.315 1.00 53.01 C ATOM 1212 CG2 ILE A 74 -1.638 8.253 -2.281 1.00 44.25 C ATOM 1213 CD1 ILE A 74 -1.005 5.527 -1.115 1.00 0.54 C ATOM 0 H ILE A 74 -2.249 8.369 1.695 1.00 54.51 H new ATOM 0 HA ILE A 74 -0.214 9.427 -0.014 1.00 21.42 H new ATOM 0 HB ILE A 74 -2.751 7.812 -0.520 1.00 14.42 H new ATOM 0 HG12 ILE A 74 0.235 7.109 -0.390 1.00 53.01 H new ATOM 0 HG13 ILE A 74 -1.007 6.596 0.735 1.00 53.01 H new ATOM 0 HG21 ILE A 74 -1.930 7.338 -2.796 1.00 44.25 H new ATOM 0 HG22 ILE A 74 -2.315 9.059 -2.563 1.00 44.25 H new ATOM 0 HG23 ILE A 74 -0.619 8.519 -2.564 1.00 44.25 H new ATOM 0 HD11 ILE A 74 -0.338 4.755 -0.731 1.00 0.54 H new ATOM 0 HD12 ILE A 74 -2.038 5.193 -1.022 1.00 0.54 H new ATOM 0 HD13 ILE A 74 -0.777 5.714 -2.164 1.00 0.54 H new ATOM 1225 N THR A 75 -3.055 11.074 0.065 1.00 22.10 N ATOM 1226 CA THR A 75 -3.661 12.374 -0.298 1.00 73.11 C ATOM 1227 C THR A 75 -2.764 13.546 0.183 1.00 50.23 C ATOM 1228 O THR A 75 -2.592 14.547 -0.532 1.00 42.34 O ATOM 1229 CB THR A 75 -5.104 12.519 0.299 1.00 60.44 C ATOM 1230 OG1 THR A 75 -5.903 11.390 -0.083 1.00 12.31 O ATOM 1231 CG2 THR A 75 -5.810 13.811 -0.167 1.00 14.32 C ATOM 0 H THR A 75 -3.578 10.553 0.769 1.00 22.10 H new ATOM 0 HA THR A 75 -3.739 12.410 -1.385 1.00 73.11 H new ATOM 0 HB THR A 75 -4.997 12.568 1.383 1.00 60.44 H new ATOM 0 HG1 THR A 75 -5.553 10.581 0.346 1.00 12.31 H new ATOM 0 HG21 THR A 75 -6.805 13.862 0.275 1.00 14.32 H new ATOM 0 HG22 THR A 75 -5.228 14.677 0.148 1.00 14.32 H new ATOM 0 HG23 THR A 75 -5.896 13.807 -1.254 1.00 14.32 H new ATOM 1239 N GLN A 76 -2.179 13.389 1.388 1.00 64.11 N ATOM 1240 CA GLN A 76 -1.350 14.429 2.035 1.00 64.24 C ATOM 1241 C GLN A 76 0.063 14.477 1.420 1.00 14.23 C ATOM 1242 O GLN A 76 0.448 15.492 0.821 1.00 61.41 O ATOM 1243 CB GLN A 76 -1.280 14.172 3.566 1.00 50.24 C ATOM 1244 CG GLN A 76 -2.639 14.238 4.282 1.00 3.13 C ATOM 1245 CD GLN A 76 -2.517 13.925 5.769 1.00 24.20 C ATOM 1246 OE1 GLN A 76 -2.563 12.650 6.125 1.00 40.33 O flip ATOM 1247 NE2 GLN A 76 -2.354 14.823 6.594 1.00 10.54 N flip ATOM 0 H GLN A 76 -2.268 12.537 1.941 1.00 64.11 H new ATOM 0 HA GLN A 76 -1.815 15.400 1.862 1.00 64.24 H new ATOM 0 HB2 GLN A 76 -0.839 13.190 3.738 1.00 50.24 H new ATOM 0 HB3 GLN A 76 -0.610 14.905 4.015 1.00 50.24 H new ATOM 0 HG2 GLN A 76 -3.068 15.232 4.155 1.00 3.13 H new ATOM 0 HG3 GLN A 76 -3.328 13.532 3.818 1.00 3.13 H new ATOM 0 HE21 GLN A 76 -2.323 15.796 6.289 1.00 10.54 H new ATOM 0 HE22 GLN A 76 -2.250 14.595 7.583 1.00 10.54 H new ATOM 1256 N THR A 77 0.822 13.370 1.565 1.00 72.35 N ATOM 1257 CA THR A 77 2.185 13.249 1.028 1.00 62.11 C ATOM 1258 C THR A 77 2.165 13.360 -0.511 1.00 45.44 C ATOM 1259 O THR A 77 1.267 12.829 -1.175 1.00 22.45 O ATOM 1260 CB THR A 77 2.902 11.913 1.466 1.00 2.14 C ATOM 1261 OG1 THR A 77 4.302 12.006 1.162 1.00 43.34 O ATOM 1262 CG2 THR A 77 2.343 10.645 0.777 1.00 74.03 C ATOM 0 H THR A 77 0.502 12.537 2.059 1.00 72.35 H new ATOM 0 HA THR A 77 2.763 14.072 1.449 1.00 62.11 H new ATOM 0 HB THR A 77 2.719 11.808 2.535 1.00 2.14 H new ATOM 0 HG1 THR A 77 4.808 12.143 1.990 1.00 43.34 H new ATOM 0 HG21 THR A 77 2.887 9.769 1.130 1.00 74.03 H new ATOM 0 HG22 THR A 77 1.285 10.536 1.018 1.00 74.03 H new ATOM 0 HG23 THR A 77 2.462 10.735 -0.303 1.00 74.03 H new ATOM 1270 N LYS A 78 3.129 14.108 -1.058 1.00 61.42 N ATOM 1271 CA LYS A 78 3.315 14.259 -2.514 1.00 31.02 C ATOM 1272 C LYS A 78 4.642 13.601 -2.943 1.00 70.04 C ATOM 1273 O LYS A 78 5.111 13.797 -4.074 1.00 14.15 O ATOM 1274 CB LYS A 78 3.243 15.767 -2.897 1.00 12.15 C ATOM 1275 CG LYS A 78 1.934 16.458 -2.430 1.00 55.34 C ATOM 1276 CD LYS A 78 1.778 17.925 -2.914 1.00 2.20 C ATOM 1277 CE LYS A 78 1.596 18.056 -4.440 1.00 63.21 C ATOM 1278 NZ LYS A 78 1.212 19.438 -4.841 1.00 10.02 N ATOM 0 H LYS A 78 3.808 14.630 -0.504 1.00 61.42 H new ATOM 0 HA LYS A 78 2.516 13.749 -3.051 1.00 31.02 H new ATOM 0 HB2 LYS A 78 4.096 16.287 -2.460 1.00 12.15 H new ATOM 0 HB3 LYS A 78 3.331 15.864 -3.979 1.00 12.15 H new ATOM 0 HG2 LYS A 78 1.083 15.878 -2.787 1.00 55.34 H new ATOM 0 HG3 LYS A 78 1.897 16.441 -1.341 1.00 55.34 H new ATOM 0 HD2 LYS A 78 0.920 18.374 -2.414 1.00 2.20 H new ATOM 0 HD3 LYS A 78 2.657 18.494 -2.611 1.00 2.20 H new ATOM 0 HE2 LYS A 78 2.524 17.778 -4.941 1.00 63.21 H new ATOM 0 HE3 LYS A 78 0.831 17.356 -4.775 1.00 63.21 H new ATOM 0 HZ1 LYS A 78 1.100 19.481 -5.874 1.00 10.02 H new ATOM 0 HZ2 LYS A 78 0.314 19.695 -4.384 1.00 10.02 H new ATOM 0 HZ3 LYS A 78 1.954 20.104 -4.545 1.00 10.02 H new ATOM 1292 N GLU A 79 5.205 12.775 -2.024 1.00 54.11 N ATOM 1293 CA GLU A 79 6.439 11.997 -2.245 1.00 33.12 C ATOM 1294 C GLU A 79 6.155 10.805 -3.169 1.00 43.44 C ATOM 1295 O GLU A 79 5.049 10.248 -3.152 1.00 3.21 O ATOM 1296 CB GLU A 79 6.994 11.487 -0.891 1.00 53.45 C ATOM 1297 CG GLU A 79 7.427 12.599 0.083 1.00 54.10 C ATOM 1298 CD GLU A 79 7.777 12.063 1.481 1.00 53.34 C ATOM 1299 OE1 GLU A 79 8.794 11.348 1.612 1.00 73.11 O ATOM 1300 OE2 GLU A 79 7.020 12.325 2.442 1.00 14.21 O ATOM 0 H GLU A 79 4.804 12.633 -1.097 1.00 54.11 H new ATOM 0 HA GLU A 79 7.180 12.643 -2.716 1.00 33.12 H new ATOM 0 HB2 GLU A 79 6.232 10.875 -0.408 1.00 53.45 H new ATOM 0 HB3 GLU A 79 7.848 10.838 -1.084 1.00 53.45 H new ATOM 0 HG2 GLU A 79 8.292 13.120 -0.328 1.00 54.10 H new ATOM 0 HG3 GLU A 79 6.625 13.332 0.170 1.00 54.10 H new ATOM 1307 N ARG A 80 7.172 10.411 -3.954 1.00 75.41 N ATOM 1308 CA ARG A 80 7.069 9.320 -4.940 1.00 63.42 C ATOM 1309 C ARG A 80 8.002 8.147 -4.582 1.00 74.43 C ATOM 1310 O ARG A 80 9.087 8.367 -4.025 1.00 41.34 O ATOM 1311 CB ARG A 80 7.378 9.852 -6.370 1.00 13.24 C ATOM 1312 CG ARG A 80 6.252 10.732 -6.940 1.00 55.13 C ATOM 1313 CD ARG A 80 6.490 11.194 -8.380 1.00 34.30 C ATOM 1314 NE ARG A 80 5.272 11.761 -8.985 1.00 32.22 N ATOM 1315 CZ ARG A 80 5.065 11.916 -10.303 1.00 24.31 C ATOM 1316 NH1 ARG A 80 5.992 11.553 -11.194 1.00 2.10 N ATOM 1317 NH2 ARG A 80 3.918 12.418 -10.727 1.00 23.24 N ATOM 0 H ARG A 80 8.095 10.843 -3.922 1.00 75.41 H new ATOM 0 HA ARG A 80 6.046 8.945 -4.920 1.00 63.42 H new ATOM 0 HB2 ARG A 80 8.304 10.427 -6.346 1.00 13.24 H new ATOM 0 HB3 ARG A 80 7.545 9.007 -7.038 1.00 13.24 H new ATOM 0 HG2 ARG A 80 5.315 10.177 -6.898 1.00 55.13 H new ATOM 0 HG3 ARG A 80 6.132 11.609 -6.303 1.00 55.13 H new ATOM 0 HD2 ARG A 80 7.284 11.941 -8.395 1.00 34.30 H new ATOM 0 HD3 ARG A 80 6.834 10.351 -8.979 1.00 34.30 H new ATOM 0 HE ARG A 80 4.528 12.059 -8.354 1.00 32.22 H new ATOM 0 HH11 ARG A 80 6.874 11.151 -10.877 1.00 2.10 H new ATOM 0 HH12 ARG A 80 5.818 11.678 -12.191 1.00 2.10 H new ATOM 0 HH21 ARG A 80 3.198 12.684 -10.055 1.00 23.24 H new ATOM 0 HH22 ARG A 80 3.753 12.539 -11.726 1.00 23.24 H new ATOM 1331 N PRO A 81 7.571 6.870 -4.875 1.00 33.14 N ATOM 1332 CA PRO A 81 8.434 5.671 -4.740 1.00 45.21 C ATOM 1333 C PRO A 81 9.562 5.676 -5.806 1.00 70.34 C ATOM 1334 O PRO A 81 9.288 5.732 -7.004 1.00 1.21 O ATOM 1335 CB PRO A 81 7.454 4.471 -4.936 1.00 30.32 C ATOM 1336 CG PRO A 81 6.071 5.061 -4.888 1.00 5.42 C ATOM 1337 CD PRO A 81 6.210 6.502 -5.335 1.00 74.03 C ATOM 0 HA PRO A 81 8.947 5.625 -3.779 1.00 45.21 H new ATOM 0 HB2 PRO A 81 7.633 3.971 -5.888 1.00 30.32 H new ATOM 0 HB3 PRO A 81 7.588 3.724 -4.153 1.00 30.32 H new ATOM 0 HG2 PRO A 81 5.392 4.514 -5.542 1.00 5.42 H new ATOM 0 HG3 PRO A 81 5.658 5.004 -3.881 1.00 5.42 H new ATOM 0 HD2 PRO A 81 6.110 6.600 -6.416 1.00 74.03 H new ATOM 0 HD3 PRO A 81 5.447 7.138 -4.886 1.00 74.03 H new ATOM 1345 N ARG A 82 10.816 5.629 -5.346 1.00 50.11 N ATOM 1346 CA ARG A 82 12.019 5.732 -6.202 1.00 44.01 C ATOM 1347 C ARG A 82 13.054 4.716 -5.691 1.00 42.22 C ATOM 1348 O ARG A 82 13.064 4.444 -4.504 1.00 65.14 O ATOM 1349 CB ARG A 82 12.560 7.184 -6.142 1.00 64.44 C ATOM 1350 CG ARG A 82 13.713 7.492 -7.119 1.00 4.13 C ATOM 1351 CD ARG A 82 14.200 8.948 -7.042 1.00 2.33 C ATOM 1352 NE ARG A 82 15.306 9.207 -7.989 1.00 43.52 N ATOM 1353 CZ ARG A 82 15.914 10.397 -8.174 1.00 45.35 C ATOM 1354 NH1 ARG A 82 15.544 11.474 -7.484 1.00 34.20 N ATOM 1355 NH2 ARG A 82 16.901 10.501 -9.055 1.00 63.04 N ATOM 0 H ARG A 82 11.035 5.517 -4.356 1.00 50.11 H new ATOM 0 HA ARG A 82 11.790 5.506 -7.243 1.00 44.01 H new ATOM 0 HB2 ARG A 82 11.738 7.870 -6.346 1.00 64.44 H new ATOM 0 HB3 ARG A 82 12.900 7.387 -5.127 1.00 64.44 H new ATOM 0 HG2 ARG A 82 14.548 6.825 -6.907 1.00 4.13 H new ATOM 0 HG3 ARG A 82 13.385 7.279 -8.136 1.00 4.13 H new ATOM 0 HD2 ARG A 82 13.370 9.621 -7.259 1.00 2.33 H new ATOM 0 HD3 ARG A 82 14.531 9.167 -6.027 1.00 2.33 H new ATOM 0 HE ARG A 82 15.636 8.421 -8.549 1.00 43.52 H new ATOM 0 HH11 ARG A 82 14.789 11.408 -6.802 1.00 34.20 H new ATOM 0 HH12 ARG A 82 16.016 12.365 -7.638 1.00 34.20 H new ATOM 0 HH21 ARG A 82 17.197 9.683 -9.589 1.00 63.04 H new ATOM 0 HH22 ARG A 82 17.364 11.398 -9.199 1.00 63.04 H new ATOM 1369 N LEU A 83 13.900 4.154 -6.591 1.00 22.13 N ATOM 1370 CA LEU A 83 14.783 2.982 -6.294 1.00 12.14 C ATOM 1371 C LEU A 83 15.564 3.123 -4.955 1.00 50.42 C ATOM 1372 O LEU A 83 16.340 4.066 -4.781 1.00 64.33 O ATOM 1373 CB LEU A 83 15.776 2.759 -7.472 1.00 4.10 C ATOM 1374 CG LEU A 83 16.647 1.452 -7.425 1.00 64.41 C ATOM 1375 CD1 LEU A 83 15.772 0.183 -7.452 1.00 41.34 C ATOM 1376 CD2 LEU A 83 17.689 1.431 -8.569 1.00 11.20 C ATOM 0 H LEU A 83 13.994 4.497 -7.547 1.00 22.13 H new ATOM 0 HA LEU A 83 14.131 2.116 -6.182 1.00 12.14 H new ATOM 0 HB2 LEU A 83 15.206 2.754 -8.401 1.00 4.10 H new ATOM 0 HB3 LEU A 83 16.449 3.615 -7.516 1.00 4.10 H new ATOM 0 HG LEU A 83 17.187 1.458 -6.478 1.00 64.41 H new ATOM 0 HD11 LEU A 83 16.410 -0.700 -7.418 1.00 41.34 H new ATOM 0 HD12 LEU A 83 15.106 0.182 -6.590 1.00 41.34 H new ATOM 0 HD13 LEU A 83 15.181 0.168 -8.367 1.00 41.34 H new ATOM 0 HD21 LEU A 83 18.276 0.515 -8.510 1.00 11.20 H new ATOM 0 HD22 LEU A 83 17.176 1.471 -9.530 1.00 11.20 H new ATOM 0 HD23 LEU A 83 18.350 2.292 -8.475 1.00 11.20 H new ATOM 1388 N GLY A 84 15.305 2.186 -4.011 1.00 45.53 N ATOM 1389 CA GLY A 84 15.953 2.172 -2.681 1.00 41.13 C ATOM 1390 C GLY A 84 15.160 2.912 -1.594 1.00 20.22 C ATOM 1391 O GLY A 84 15.452 2.767 -0.398 1.00 71.32 O ATOM 0 H GLY A 84 14.643 1.422 -4.151 1.00 45.53 H new ATOM 0 HA2 GLY A 84 16.099 1.138 -2.370 1.00 41.13 H new ATOM 0 HA3 GLY A 84 16.942 2.622 -2.765 1.00 41.13 H new ATOM 1395 N LYS A 85 14.156 3.697 -2.023 1.00 2.01 N ATOM 1396 CA LYS A 85 13.353 4.606 -1.166 1.00 32.22 C ATOM 1397 C LYS A 85 11.837 4.315 -1.338 1.00 51.41 C ATOM 1398 O LYS A 85 11.247 4.669 -2.367 1.00 22.13 O ATOM 1399 CB LYS A 85 13.681 6.076 -1.559 1.00 62.14 C ATOM 1400 CG LYS A 85 15.164 6.476 -1.334 1.00 54.02 C ATOM 1401 CD LYS A 85 15.556 7.806 -2.018 1.00 72.41 C ATOM 1402 CE LYS A 85 15.554 7.713 -3.555 1.00 52.34 C ATOM 1403 NZ LYS A 85 16.534 6.707 -4.045 1.00 31.21 N ATOM 0 H LYS A 85 13.868 3.722 -3.001 1.00 2.01 H new ATOM 0 HA LYS A 85 13.603 4.444 -0.118 1.00 32.22 H new ATOM 0 HB2 LYS A 85 13.431 6.224 -2.610 1.00 62.14 H new ATOM 0 HB3 LYS A 85 13.044 6.746 -0.982 1.00 62.14 H new ATOM 0 HG2 LYS A 85 15.351 6.559 -0.263 1.00 54.02 H new ATOM 0 HG3 LYS A 85 15.807 5.680 -1.710 1.00 54.02 H new ATOM 0 HD2 LYS A 85 14.863 8.587 -1.705 1.00 72.41 H new ATOM 0 HD3 LYS A 85 16.548 8.105 -1.678 1.00 72.41 H new ATOM 0 HE2 LYS A 85 14.555 7.448 -3.903 1.00 52.34 H new ATOM 0 HE3 LYS A 85 15.791 8.689 -3.979 1.00 52.34 H new ATOM 0 HZ1 LYS A 85 16.985 7.057 -4.914 1.00 31.21 H new ATOM 0 HZ2 LYS A 85 17.260 6.547 -3.318 1.00 31.21 H new ATOM 0 HZ3 LYS A 85 16.043 5.813 -4.246 1.00 31.21 H new ATOM 1417 N ALA A 86 11.224 3.651 -0.344 1.00 35.34 N ATOM 1418 CA ALA A 86 9.784 3.288 -0.367 1.00 45.42 C ATOM 1419 C ALA A 86 8.945 4.320 0.412 1.00 71.42 C ATOM 1420 O ALA A 86 9.399 4.833 1.444 1.00 5.15 O ATOM 1421 CB ALA A 86 9.581 1.884 0.232 1.00 32.40 C ATOM 0 H ALA A 86 11.707 3.347 0.502 1.00 35.34 H new ATOM 0 HA ALA A 86 9.449 3.286 -1.404 1.00 45.42 H new ATOM 0 HB1 ALA A 86 8.522 1.629 0.210 1.00 32.40 H new ATOM 0 HB2 ALA A 86 10.142 1.155 -0.352 1.00 32.40 H new ATOM 0 HB3 ALA A 86 9.935 1.873 1.263 1.00 32.40 H new ATOM 1427 N VAL A 87 7.725 4.610 -0.089 1.00 11.14 N ATOM 1428 CA VAL A 87 6.755 5.477 0.610 1.00 43.45 C ATOM 1429 C VAL A 87 6.125 4.675 1.770 1.00 45.53 C ATOM 1430 O VAL A 87 5.139 3.947 1.590 1.00 52.14 O ATOM 1431 CB VAL A 87 5.643 6.045 -0.363 1.00 45.34 C ATOM 1432 CG1 VAL A 87 4.609 6.937 0.386 1.00 61.11 C ATOM 1433 CG2 VAL A 87 6.288 6.823 -1.538 1.00 23.41 C ATOM 0 H VAL A 87 7.388 4.252 -0.983 1.00 11.14 H new ATOM 0 HA VAL A 87 7.283 6.347 1.002 1.00 43.45 H new ATOM 0 HB VAL A 87 5.100 5.190 -0.766 1.00 45.34 H new ATOM 0 HG11 VAL A 87 3.865 7.304 -0.321 1.00 61.11 H new ATOM 0 HG12 VAL A 87 4.115 6.350 1.160 1.00 61.11 H new ATOM 0 HG13 VAL A 87 5.122 7.782 0.845 1.00 61.11 H new ATOM 0 HG21 VAL A 87 5.506 7.205 -2.194 1.00 23.41 H new ATOM 0 HG22 VAL A 87 6.871 7.656 -1.146 1.00 23.41 H new ATOM 0 HG23 VAL A 87 6.941 6.156 -2.101 1.00 23.41 H new ATOM 1443 N SER A 88 6.762 4.779 2.944 1.00 41.40 N ATOM 1444 CA SER A 88 6.364 4.052 4.151 1.00 74.23 C ATOM 1445 C SER A 88 5.172 4.757 4.806 1.00 22.31 C ATOM 1446 O SER A 88 5.322 5.855 5.355 1.00 43.21 O ATOM 1447 CB SER A 88 7.566 3.955 5.117 1.00 71.44 C ATOM 1448 OG SER A 88 7.269 3.138 6.235 1.00 11.02 O ATOM 0 H SER A 88 7.577 5.377 3.081 1.00 41.40 H new ATOM 0 HA SER A 88 6.056 3.039 3.892 1.00 74.23 H new ATOM 0 HB2 SER A 88 8.428 3.549 4.587 1.00 71.44 H new ATOM 0 HB3 SER A 88 7.842 4.953 5.457 1.00 71.44 H new ATOM 0 HG SER A 88 8.050 3.096 6.826 1.00 11.02 H new ATOM 1454 N ILE A 89 3.986 4.132 4.703 1.00 2.11 N ATOM 1455 CA ILE A 89 2.729 4.686 5.221 1.00 11.45 C ATOM 1456 C ILE A 89 2.505 4.224 6.679 1.00 41.14 C ATOM 1457 O ILE A 89 2.209 3.047 6.896 1.00 52.32 O ATOM 1458 CB ILE A 89 1.525 4.223 4.325 1.00 53.12 C ATOM 1459 CG1 ILE A 89 1.759 4.643 2.839 1.00 65.20 C ATOM 1460 CG2 ILE A 89 0.175 4.751 4.866 1.00 52.04 C ATOM 1461 CD1 ILE A 89 0.744 4.086 1.867 1.00 5.33 C ATOM 0 H ILE A 89 3.875 3.223 4.255 1.00 2.11 H new ATOM 0 HA ILE A 89 2.791 5.774 5.199 1.00 11.45 H new ATOM 0 HB ILE A 89 1.472 3.135 4.363 1.00 53.12 H new ATOM 0 HG12 ILE A 89 1.747 5.731 2.775 1.00 65.20 H new ATOM 0 HG13 ILE A 89 2.753 4.317 2.534 1.00 65.20 H new ATOM 0 HG21 ILE A 89 -0.634 4.410 4.220 1.00 52.04 H new ATOM 0 HG22 ILE A 89 0.016 4.375 5.876 1.00 52.04 H new ATOM 0 HG23 ILE A 89 0.191 5.841 4.883 1.00 52.04 H new ATOM 0 HD11 ILE A 89 0.981 4.426 0.859 1.00 5.33 H new ATOM 0 HD12 ILE A 89 0.770 2.997 1.898 1.00 5.33 H new ATOM 0 HD13 ILE A 89 -0.252 4.433 2.143 1.00 5.33 H new ATOM 1473 N PRO A 90 2.661 5.131 7.700 1.00 40.13 N ATOM 1474 CA PRO A 90 2.361 4.798 9.112 1.00 20.22 C ATOM 1475 C PRO A 90 0.852 4.582 9.310 1.00 2.02 C ATOM 1476 O PRO A 90 0.057 5.510 9.125 1.00 24.33 O ATOM 1477 CB PRO A 90 2.881 6.039 9.905 1.00 35.02 C ATOM 1478 CG PRO A 90 3.750 6.786 8.931 1.00 72.23 C ATOM 1479 CD PRO A 90 3.129 6.528 7.581 1.00 25.21 C ATOM 0 HA PRO A 90 2.831 3.873 9.445 1.00 20.22 H new ATOM 0 HB2 PRO A 90 2.055 6.659 10.254 1.00 35.02 H new ATOM 0 HB3 PRO A 90 3.446 5.736 10.786 1.00 35.02 H new ATOM 0 HG2 PRO A 90 3.773 7.852 9.158 1.00 72.23 H new ATOM 0 HG3 PRO A 90 4.780 6.430 8.967 1.00 72.23 H new ATOM 0 HD2 PRO A 90 2.307 7.214 7.376 1.00 25.21 H new ATOM 0 HD3 PRO A 90 3.852 6.645 6.774 1.00 25.21 H new ATOM 1487 N LEU A 91 0.468 3.347 9.655 1.00 52.10 N ATOM 1488 CA LEU A 91 -0.925 3.000 9.934 1.00 61.51 C ATOM 1489 C LEU A 91 -1.221 3.276 11.409 1.00 15.42 C ATOM 1490 O LEU A 91 -0.714 2.556 12.284 1.00 71.23 O ATOM 1491 CB LEU A 91 -1.188 1.505 9.591 1.00 12.31 C ATOM 1492 CG LEU A 91 -0.826 1.054 8.138 1.00 32.54 C ATOM 1493 CD1 LEU A 91 -1.195 -0.425 7.912 1.00 35.12 C ATOM 1494 CD2 LEU A 91 -1.491 1.970 7.087 1.00 10.14 C ATOM 0 H LEU A 91 1.115 2.564 9.748 1.00 52.10 H new ATOM 0 HA LEU A 91 -1.585 3.608 9.315 1.00 61.51 H new ATOM 0 HB2 LEU A 91 -0.624 0.889 10.291 1.00 12.31 H new ATOM 0 HB3 LEU A 91 -2.244 1.295 9.761 1.00 12.31 H new ATOM 0 HG LEU A 91 0.253 1.148 8.016 1.00 32.54 H new ATOM 0 HD11 LEU A 91 -0.933 -0.714 6.894 1.00 35.12 H new ATOM 0 HD12 LEU A 91 -0.647 -1.049 8.618 1.00 35.12 H new ATOM 0 HD13 LEU A 91 -2.266 -0.560 8.063 1.00 35.12 H new ATOM 0 HD21 LEU A 91 -1.221 1.632 6.087 1.00 10.14 H new ATOM 0 HD22 LEU A 91 -2.574 1.931 7.203 1.00 10.14 H new ATOM 0 HD23 LEU A 91 -1.148 2.995 7.228 1.00 10.14 H new ATOM 1506 N ASP A 92 -1.996 4.344 11.693 1.00 72.52 N ATOM 1507 CA ASP A 92 -2.461 4.616 13.060 1.00 34.33 C ATOM 1508 C ASP A 92 -3.525 3.584 13.414 1.00 2.33 C ATOM 1509 O ASP A 92 -4.687 3.705 13.019 1.00 15.34 O ATOM 1510 CB ASP A 92 -3.026 6.049 13.264 1.00 52.45 C ATOM 1511 CG ASP A 92 -3.450 6.305 14.736 1.00 70.10 C ATOM 1512 OD1 ASP A 92 -4.612 5.999 15.120 1.00 42.33 O ATOM 1513 OD2 ASP A 92 -2.616 6.786 15.533 1.00 4.21 O ATOM 0 H ASP A 92 -2.308 5.023 10.998 1.00 72.52 H new ATOM 0 HA ASP A 92 -1.595 4.546 13.718 1.00 34.33 H new ATOM 0 HB2 ASP A 92 -2.273 6.780 12.972 1.00 52.45 H new ATOM 0 HB3 ASP A 92 -3.885 6.197 12.609 1.00 52.45 H new ATOM 1518 N LEU A 93 -3.089 2.529 14.085 1.00 25.55 N ATOM 1519 CA LEU A 93 -3.976 1.564 14.725 1.00 0.24 C ATOM 1520 C LEU A 93 -3.911 1.785 16.243 1.00 33.21 C ATOM 1521 O LEU A 93 -4.303 0.925 17.021 1.00 14.12 O ATOM 1522 CB LEU A 93 -3.578 0.117 14.320 1.00 34.02 C ATOM 1523 CG LEU A 93 -3.395 -0.144 12.786 1.00 63.32 C ATOM 1524 CD1 LEU A 93 -3.085 -1.625 12.511 1.00 20.15 C ATOM 1525 CD2 LEU A 93 -4.618 0.339 11.969 1.00 32.33 C ATOM 0 H LEU A 93 -2.099 2.315 14.203 1.00 25.55 H new ATOM 0 HA LEU A 93 -5.005 1.706 14.396 1.00 0.24 H new ATOM 0 HB2 LEU A 93 -2.646 -0.136 14.825 1.00 34.02 H new ATOM 0 HB3 LEU A 93 -4.340 -0.566 14.696 1.00 34.02 H new ATOM 0 HG LEU A 93 -2.539 0.444 12.455 1.00 63.32 H new ATOM 0 HD11 LEU A 93 -2.963 -1.778 11.439 1.00 20.15 H new ATOM 0 HD12 LEU A 93 -2.166 -1.906 13.025 1.00 20.15 H new ATOM 0 HD13 LEU A 93 -3.907 -2.242 12.874 1.00 20.15 H new ATOM 0 HD21 LEU A 93 -4.450 0.139 10.911 1.00 32.33 H new ATOM 0 HD22 LEU A 93 -5.510 -0.192 12.301 1.00 32.33 H new ATOM 0 HD23 LEU A 93 -4.756 1.410 12.119 1.00 32.33 H new ATOM 1537 N GLY A 94 -3.406 2.970 16.653 1.00 23.43 N ATOM 1538 CA GLY A 94 -3.404 3.360 18.049 1.00 52.13 C ATOM 1539 C GLY A 94 -4.816 3.609 18.542 1.00 64.25 C ATOM 1540 O GLY A 94 -5.214 3.090 19.589 1.00 74.14 O ATOM 0 H GLY A 94 -2.998 3.661 16.024 1.00 23.43 H new ATOM 0 HA2 GLY A 94 -2.937 2.578 18.649 1.00 52.13 H new ATOM 0 HA3 GLY A 94 -2.805 4.261 18.178 1.00 52.13 H new ATOM 1544 N GLU A 95 -5.568 4.426 17.783 1.00 73.13 N ATOM 1545 CA GLU A 95 -6.984 4.694 18.048 1.00 50.34 C ATOM 1546 C GLU A 95 -7.901 3.806 17.178 1.00 65.23 C ATOM 1547 O GLU A 95 -8.926 3.310 17.658 1.00 15.21 O ATOM 1548 CB GLU A 95 -7.272 6.200 17.826 1.00 13.31 C ATOM 1549 CG GLU A 95 -6.409 7.144 18.708 1.00 25.15 C ATOM 1550 CD GLU A 95 -6.522 6.840 20.220 1.00 11.14 C ATOM 1551 OE1 GLU A 95 -7.553 7.196 20.837 1.00 51.03 O ATOM 1552 OE2 GLU A 95 -5.591 6.230 20.793 1.00 51.13 O ATOM 0 H GLU A 95 -5.205 4.918 16.967 1.00 73.13 H new ATOM 0 HA GLU A 95 -7.203 4.443 19.086 1.00 50.34 H new ATOM 0 HB2 GLU A 95 -7.100 6.442 16.777 1.00 13.31 H new ATOM 0 HB3 GLU A 95 -8.326 6.392 18.029 1.00 13.31 H new ATOM 0 HG2 GLU A 95 -5.365 7.060 18.405 1.00 25.15 H new ATOM 0 HG3 GLU A 95 -6.712 8.176 18.528 1.00 25.15 H new ATOM 1559 N ARG A 96 -7.514 3.597 15.895 1.00 44.35 N ATOM 1560 CA ARG A 96 -8.378 2.923 14.882 1.00 24.21 C ATOM 1561 C ARG A 96 -8.493 1.404 15.083 1.00 31.03 C ATOM 1562 O ARG A 96 -9.351 0.771 14.455 1.00 52.30 O ATOM 1563 CB ARG A 96 -7.877 3.220 13.446 1.00 72.13 C ATOM 1564 CG ARG A 96 -7.973 4.703 13.038 1.00 3.21 C ATOM 1565 CD ARG A 96 -9.420 5.234 13.029 1.00 13.21 C ATOM 1566 NE ARG A 96 -9.485 6.666 12.688 1.00 0.23 N ATOM 1567 CZ ARG A 96 -10.615 7.385 12.564 1.00 10.35 C ATOM 1568 NH1 ARG A 96 -11.815 6.824 12.744 1.00 13.15 N ATOM 1569 NH2 ARG A 96 -10.536 8.671 12.261 1.00 44.04 N ATOM 0 H ARG A 96 -6.606 3.886 15.532 1.00 44.35 H new ATOM 0 HA ARG A 96 -9.375 3.339 15.023 1.00 24.21 H new ATOM 0 HB2 ARG A 96 -6.839 2.898 13.361 1.00 72.13 H new ATOM 0 HB3 ARG A 96 -8.455 2.623 12.741 1.00 72.13 H new ATOM 0 HG2 ARG A 96 -7.376 5.302 13.726 1.00 3.21 H new ATOM 0 HG3 ARG A 96 -7.539 4.830 12.046 1.00 3.21 H new ATOM 0 HD2 ARG A 96 -10.010 4.664 12.311 1.00 13.21 H new ATOM 0 HD3 ARG A 96 -9.870 5.075 14.009 1.00 13.21 H new ATOM 0 HE ARG A 96 -8.601 7.151 12.533 1.00 0.23 H new ATOM 0 HH11 ARG A 96 -11.885 5.834 12.980 1.00 13.15 H new ATOM 0 HH12 ARG A 96 -12.661 7.386 12.646 1.00 13.15 H new ATOM 0 HH21 ARG A 96 -9.624 9.108 12.124 1.00 44.04 H new ATOM 0 HH22 ARG A 96 -11.387 9.225 12.165 1.00 44.04 H new ATOM 1583 N ALA A 97 -7.639 0.813 15.937 1.00 13.13 N ATOM 1584 CA ALA A 97 -7.718 -0.631 16.234 1.00 65.25 C ATOM 1585 C ALA A 97 -8.910 -0.962 17.144 1.00 41.14 C ATOM 1586 O ALA A 97 -9.338 -2.116 17.208 1.00 50.23 O ATOM 1587 CB ALA A 97 -6.413 -1.154 16.853 1.00 72.23 C ATOM 0 H ALA A 97 -6.894 1.305 16.430 1.00 13.13 H new ATOM 0 HA ALA A 97 -7.870 -1.137 15.281 1.00 65.25 H new ATOM 0 HB1 ALA A 97 -6.509 -2.220 17.058 1.00 72.23 H new ATOM 0 HB2 ALA A 97 -5.590 -0.991 16.158 1.00 72.23 H new ATOM 0 HB3 ALA A 97 -6.213 -0.622 17.783 1.00 72.23 H new ATOM 1593 N SER A 98 -9.471 0.063 17.813 1.00 51.34 N ATOM 1594 CA SER A 98 -10.524 -0.124 18.827 1.00 23.15 C ATOM 1595 C SER A 98 -11.868 -0.603 18.216 1.00 42.33 C ATOM 1596 O SER A 98 -12.785 -0.984 18.955 1.00 42.33 O ATOM 1597 CB SER A 98 -10.691 1.188 19.637 1.00 2.34 C ATOM 1598 OG SER A 98 -11.541 1.026 20.762 1.00 72.42 O ATOM 0 H SER A 98 -9.209 1.038 17.667 1.00 51.34 H new ATOM 0 HA SER A 98 -10.212 -0.923 19.500 1.00 23.15 H new ATOM 0 HB2 SER A 98 -9.712 1.532 19.971 1.00 2.34 H new ATOM 0 HB3 SER A 98 -11.097 1.963 18.987 1.00 2.34 H new ATOM 0 HG SER A 98 -12.121 0.248 20.625 1.00 72.42 H new ATOM 1604 N GLU A 99 -11.978 -0.596 16.867 1.00 3.32 N ATOM 1605 CA GLU A 99 -13.149 -1.153 16.164 1.00 21.32 C ATOM 1606 C GLU A 99 -13.166 -2.703 16.277 1.00 35.34 C ATOM 1607 O GLU A 99 -14.221 -3.305 16.524 1.00 13.32 O ATOM 1608 CB GLU A 99 -13.168 -0.702 14.676 1.00 41.53 C ATOM 1609 CG GLU A 99 -11.935 -1.134 13.853 1.00 4.33 C ATOM 1610 CD GLU A 99 -12.007 -0.713 12.382 1.00 61.53 C ATOM 1611 OE1 GLU A 99 -12.606 -1.449 11.573 1.00 43.43 O ATOM 1612 OE2 GLU A 99 -11.495 0.370 12.028 1.00 74.23 O ATOM 0 H GLU A 99 -11.267 -0.209 16.246 1.00 3.32 H new ATOM 0 HA GLU A 99 -14.050 -0.768 16.641 1.00 21.32 H new ATOM 0 HB2 GLU A 99 -14.063 -1.103 14.201 1.00 41.53 H new ATOM 0 HB3 GLU A 99 -13.248 0.384 14.641 1.00 41.53 H new ATOM 0 HG2 GLU A 99 -11.039 -0.705 14.302 1.00 4.33 H new ATOM 0 HG3 GLU A 99 -11.832 -2.218 13.908 1.00 4.33 H new ATOM 1619 N TRP A 100 -11.984 -3.338 16.116 1.00 3.51 N ATOM 1620 CA TRP A 100 -11.854 -4.816 16.074 1.00 72.12 C ATOM 1621 C TRP A 100 -11.296 -5.381 17.392 1.00 32.44 C ATOM 1622 O TRP A 100 -11.426 -6.586 17.656 1.00 30.14 O ATOM 1623 CB TRP A 100 -11.005 -5.266 14.853 1.00 24.22 C ATOM 1624 CG TRP A 100 -9.600 -4.704 14.779 1.00 32.01 C ATOM 1625 CD1 TRP A 100 -9.242 -3.444 14.410 1.00 22.12 C ATOM 1626 CD2 TRP A 100 -8.369 -5.400 15.026 1.00 33.45 C ATOM 1627 NE1 TRP A 100 -7.885 -3.308 14.431 1.00 1.10 N ATOM 1628 CE2 TRP A 100 -7.322 -4.487 14.803 1.00 41.15 C ATOM 1629 CE3 TRP A 100 -8.053 -6.696 15.422 1.00 30.50 C ATOM 1630 CZ2 TRP A 100 -5.987 -4.823 14.961 1.00 1.41 C ATOM 1631 CZ3 TRP A 100 -6.723 -7.036 15.576 1.00 4.12 C ATOM 1632 CH2 TRP A 100 -5.703 -6.102 15.348 1.00 0.43 C ATOM 0 H TRP A 100 -11.097 -2.846 16.012 1.00 3.51 H new ATOM 0 HA TRP A 100 -12.855 -5.229 15.953 1.00 72.12 H new ATOM 0 HB2 TRP A 100 -10.940 -6.354 14.862 1.00 24.22 H new ATOM 0 HB3 TRP A 100 -11.536 -4.986 13.943 1.00 24.22 H new ATOM 0 HD1 TRP A 100 -9.935 -2.662 14.139 1.00 22.12 H new ATOM 0 HE1 TRP A 100 -7.374 -2.455 14.203 1.00 1.10 H new ATOM 0 HE3 TRP A 100 -8.832 -7.421 15.605 1.00 30.50 H new ATOM 0 HZ2 TRP A 100 -5.202 -4.102 14.785 1.00 1.41 H new ATOM 0 HZ3 TRP A 100 -6.464 -8.040 15.878 1.00 4.12 H new ATOM 0 HH2 TRP A 100 -4.673 -6.399 15.481 1.00 0.43 H new ATOM 1643 N ILE A 101 -10.669 -4.513 18.216 1.00 73.10 N ATOM 1644 CA ILE A 101 -10.350 -4.840 19.617 1.00 14.01 C ATOM 1645 C ILE A 101 -11.686 -4.822 20.387 1.00 61.25 C ATOM 1646 O ILE A 101 -12.258 -3.752 20.643 1.00 21.45 O ATOM 1647 CB ILE A 101 -9.268 -3.840 20.263 1.00 12.13 C ATOM 1648 CG1 ILE A 101 -7.794 -4.247 19.908 1.00 4.20 C ATOM 1649 CG2 ILE A 101 -9.395 -3.724 21.812 1.00 11.40 C ATOM 1650 CD1 ILE A 101 -7.474 -4.398 18.441 1.00 21.55 C ATOM 0 H ILE A 101 -10.374 -3.579 17.931 1.00 73.10 H new ATOM 0 HA ILE A 101 -9.879 -5.821 19.674 1.00 14.01 H new ATOM 0 HB ILE A 101 -9.491 -2.868 19.822 1.00 12.13 H new ATOM 0 HG12 ILE A 101 -7.122 -3.499 20.329 1.00 4.20 H new ATOM 0 HG13 ILE A 101 -7.571 -5.191 20.405 1.00 4.20 H new ATOM 0 HG21 ILE A 101 -8.638 -3.036 22.189 1.00 11.40 H new ATOM 0 HG22 ILE A 101 -10.386 -3.350 22.069 1.00 11.40 H new ATOM 0 HG23 ILE A 101 -9.249 -4.705 22.264 1.00 11.40 H new ATOM 0 HD11 ILE A 101 -6.428 -4.681 18.324 1.00 21.55 H new ATOM 0 HD12 ILE A 101 -8.109 -5.170 18.008 1.00 21.55 H new ATOM 0 HD13 ILE A 101 -7.653 -3.452 17.930 1.00 21.55 H new ATOM 1662 N ILE A 102 -12.240 -6.023 20.622 1.00 72.14 N ATOM 1663 CA ILE A 102 -13.432 -6.224 21.463 1.00 61.42 C ATOM 1664 C ILE A 102 -13.037 -7.194 22.593 1.00 13.42 C ATOM 1665 O ILE A 102 -13.031 -8.417 22.404 1.00 11.51 O ATOM 1666 CB ILE A 102 -14.657 -6.788 20.633 1.00 41.24 C ATOM 1667 CG1 ILE A 102 -15.013 -5.849 19.422 1.00 10.42 C ATOM 1668 CG2 ILE A 102 -15.894 -7.020 21.542 1.00 0.54 C ATOM 1669 CD1 ILE A 102 -15.414 -4.426 19.794 1.00 73.01 C ATOM 0 H ILE A 102 -11.870 -6.889 20.230 1.00 72.14 H new ATOM 0 HA ILE A 102 -13.761 -5.268 21.870 1.00 61.42 H new ATOM 0 HB ILE A 102 -14.357 -7.753 20.225 1.00 41.24 H new ATOM 0 HG12 ILE A 102 -14.153 -5.803 18.754 1.00 10.42 H new ATOM 0 HG13 ILE A 102 -15.829 -6.303 18.860 1.00 10.42 H new ATOM 0 HG21 ILE A 102 -16.718 -7.407 20.943 1.00 0.54 H new ATOM 0 HG22 ILE A 102 -15.643 -7.739 22.322 1.00 0.54 H new ATOM 0 HG23 ILE A 102 -16.191 -6.077 22.000 1.00 0.54 H new ATOM 0 HD11 ILE A 102 -15.639 -3.863 18.888 1.00 73.01 H new ATOM 0 HD12 ILE A 102 -16.296 -4.452 20.433 1.00 73.01 H new ATOM 0 HD13 ILE A 102 -14.594 -3.944 20.327 1.00 73.01 H new ATOM 1681 N LEU A 103 -12.635 -6.625 23.742 1.00 10.03 N ATOM 1682 CA LEU A 103 -12.164 -7.386 24.911 1.00 12.45 C ATOM 1683 C LEU A 103 -13.361 -7.793 25.793 1.00 63.00 C ATOM 1684 O LEU A 103 -13.935 -6.949 26.499 1.00 34.11 O ATOM 1685 CB LEU A 103 -11.149 -6.521 25.719 1.00 14.10 C ATOM 1686 CG LEU A 103 -9.846 -6.097 24.961 1.00 75.51 C ATOM 1687 CD1 LEU A 103 -8.956 -5.179 25.829 1.00 54.13 C ATOM 1688 CD2 LEU A 103 -9.066 -7.337 24.479 1.00 20.22 C ATOM 0 H LEU A 103 -12.628 -5.615 23.886 1.00 10.03 H new ATOM 0 HA LEU A 103 -11.663 -8.295 24.578 1.00 12.45 H new ATOM 0 HB2 LEU A 103 -11.659 -5.618 26.055 1.00 14.10 H new ATOM 0 HB3 LEU A 103 -10.861 -7.075 26.612 1.00 14.10 H new ATOM 0 HG LEU A 103 -10.144 -5.522 24.084 1.00 75.51 H new ATOM 0 HD11 LEU A 103 -8.061 -4.905 25.270 1.00 54.13 H new ATOM 0 HD12 LEU A 103 -9.510 -4.278 26.091 1.00 54.13 H new ATOM 0 HD13 LEU A 103 -8.668 -5.706 26.739 1.00 54.13 H new ATOM 0 HD21 LEU A 103 -8.165 -7.019 23.955 1.00 20.22 H new ATOM 0 HD22 LEU A 103 -8.790 -7.949 25.337 1.00 20.22 H new ATOM 0 HD23 LEU A 103 -9.692 -7.920 23.803 1.00 20.22 H new ATOM 1700 N GLU A 104 -13.751 -9.082 25.720 1.00 23.34 N ATOM 1701 CA GLU A 104 -14.859 -9.647 26.517 1.00 64.23 C ATOM 1702 C GLU A 104 -14.288 -10.590 27.611 1.00 74.31 C ATOM 1703 O GLU A 104 -13.921 -10.095 28.702 1.00 50.34 O ATOM 1704 CB GLU A 104 -15.866 -10.378 25.575 1.00 31.11 C ATOM 1705 CG GLU A 104 -16.520 -9.474 24.507 1.00 14.11 C ATOM 1706 CD GLU A 104 -17.337 -8.315 25.108 1.00 51.24 C ATOM 1707 OE1 GLU A 104 -18.444 -8.564 25.642 1.00 2.50 O ATOM 1708 OE2 GLU A 104 -16.882 -7.147 25.061 1.00 21.43 O ATOM 0 H GLU A 104 -13.305 -9.762 25.105 1.00 23.34 H new ATOM 0 HA GLU A 104 -15.403 -8.849 27.022 1.00 64.23 H new ATOM 0 HB2 GLU A 104 -15.346 -11.194 25.073 1.00 31.11 H new ATOM 0 HB3 GLU A 104 -16.652 -10.827 26.183 1.00 31.11 H new ATOM 0 HG2 GLU A 104 -15.743 -9.065 23.862 1.00 14.11 H new ATOM 0 HG3 GLU A 104 -17.171 -10.080 23.877 1.00 14.11 H new TER 1715 GLU A 104