USER MOD reduce.3.24.130724 H: found=0, std=0, add=744, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 738 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 84 HIS :FLIP no HD1:sc= -2.59! C(o=-9.4!,f=-7.2!) USER MOD Set 1.2: A 86 MET CE :methyl -132:sc= -4.6! (180deg=-9.7!) USER MOD Set 2.1: A 79 THR OG1 : rot 180:sc=-0.00444 USER MOD Set 2.2: A 82 MET CE :methyl -137:sc= -3.2! (180deg=-6.31!) USER MOD Set 3.1: A 32 ASN : amide:sc= -9.38! C(o=-16!,f=-32!) USER MOD Set 3.2: A 34 MET CE :methyl 166:sc= -6.36! (180deg=-2.88) USER MOD Set 3.3: A 76 MET CE :methyl -144:sc= -0.5 (180deg=-2.08) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.221 USER MOD Single : A 14 MET CE :methyl 158:sc= -1.35 (180deg=-2.02) USER MOD Single : A 15 LYS NZ :NH3+ 165:sc=-0.00854 (180deg=-0.427) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 152:sc= -0.332 (180deg=-1.51!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 180:sc= -1.28 USER MOD Single : A 38 CYS SG : rot 180:sc= -3.32! USER MOD Single : A 43 HIS :FLIP no HD1:sc= -1.28 F(o=-2.5!,f=-1.3) USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.16 USER MOD Single : A 47 GLN : amide:sc= -2.02 X(o=-2,f=-2!) USER MOD Single : A 51 ASN : amide:sc= -0.0796 K(o=-0.08,f=-1.9!) USER MOD Single : A 53 THR OG1 : rot -47:sc= 0.0128 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.167) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= -0.101 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 71 GLN : amide:sc= -0.0251 X(o=-0.025,f=0) USER MOD Single : A 81 LYS NZ :NH3+ 159:sc= 0.453 (180deg=-0.178) USER MOD Single : A 85 HIS : no HD1:sc= -0.329 X(o=-0.33,f=-0.006) USER MOD Single : A 89 HIS : no HD1:sc= -1.1 K(o=-1.1,f=-1.8!) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 ASN : amide:sc= 0.0342 K(o=0.034,f=-0.96) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -0.611 -0.058 -6.929 1.00 0.00 N ATOM 2 CA GLY A 1 -0.381 -1.000 -5.850 1.00 0.00 C ATOM 3 C GLY A 1 0.428 -2.204 -6.293 1.00 0.00 C ATOM 4 O GLY A 1 -0.095 -3.315 -6.377 1.00 0.00 O ATOM 0 H1 GLY A 1 -1.168 0.746 -6.575 1.00 0.00 H new ATOM 0 H2 GLY A 1 0.302 0.285 -7.291 1.00 0.00 H new ATOM 0 H3 GLY A 1 -1.132 -0.529 -7.696 1.00 0.00 H new ATOM 0 HA2 GLY A 1 0.140 -0.495 -5.036 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -1.340 -1.336 -5.455 1.00 0.00 H new ATOM 8 N SER A 2 1.706 -1.982 -6.580 1.00 0.00 N ATOM 9 CA SER A 2 2.587 -3.056 -7.024 1.00 0.00 C ATOM 10 C SER A 2 2.492 -4.258 -6.089 1.00 0.00 C ATOM 11 O SER A 2 3.001 -4.229 -4.969 1.00 0.00 O ATOM 12 CB SER A 2 4.034 -2.563 -7.092 1.00 0.00 C ATOM 13 OG SER A 2 4.233 -1.718 -8.212 1.00 0.00 O ATOM 0 H SER A 2 2.155 -1.069 -6.513 1.00 0.00 H new ATOM 0 HA SER A 2 2.268 -3.365 -8.020 1.00 0.00 H new ATOM 0 HB2 SER A 2 4.281 -2.024 -6.177 1.00 0.00 H new ATOM 0 HB3 SER A 2 4.710 -3.416 -7.152 1.00 0.00 H new ATOM 0 HG SER A 2 5.165 -1.415 -8.232 1.00 0.00 H new ATOM 19 N SER A 3 1.835 -5.314 -6.559 1.00 0.00 N ATOM 20 CA SER A 3 1.668 -6.526 -5.764 1.00 0.00 C ATOM 21 C SER A 3 2.009 -7.765 -6.586 1.00 0.00 C ATOM 22 O SER A 3 2.195 -7.687 -7.799 1.00 0.00 O ATOM 23 CB SER A 3 0.233 -6.625 -5.243 1.00 0.00 C ATOM 24 OG SER A 3 -0.661 -6.999 -6.277 1.00 0.00 O ATOM 0 H SER A 3 1.410 -5.355 -7.485 1.00 0.00 H new ATOM 0 HA SER A 3 2.352 -6.473 -4.917 1.00 0.00 H new ATOM 0 HB2 SER A 3 0.186 -7.356 -4.435 1.00 0.00 H new ATOM 0 HB3 SER A 3 -0.072 -5.666 -4.824 1.00 0.00 H new ATOM 0 HG SER A 3 -1.571 -7.057 -5.918 1.00 0.00 H new ATOM 30 N GLY A 4 2.090 -8.909 -5.914 1.00 0.00 N ATOM 31 CA GLY A 4 2.410 -10.150 -6.596 1.00 0.00 C ATOM 32 C GLY A 4 3.706 -10.064 -7.377 1.00 0.00 C ATOM 33 O GLY A 4 4.725 -9.614 -6.853 1.00 0.00 O ATOM 0 H GLY A 4 1.940 -8.999 -4.909 1.00 0.00 H new ATOM 0 HA2 GLY A 4 2.483 -10.955 -5.864 1.00 0.00 H new ATOM 0 HA3 GLY A 4 1.597 -10.408 -7.274 1.00 0.00 H new ATOM 37 N SER A 5 3.669 -10.499 -8.632 1.00 0.00 N ATOM 38 CA SER A 5 4.851 -10.474 -9.485 1.00 0.00 C ATOM 39 C SER A 5 4.466 -10.225 -10.940 1.00 0.00 C ATOM 40 O SER A 5 3.774 -11.033 -11.558 1.00 0.00 O ATOM 41 CB SER A 5 5.619 -11.792 -9.368 1.00 0.00 C ATOM 42 OG SER A 5 6.991 -11.612 -9.674 1.00 0.00 O ATOM 0 H SER A 5 2.833 -10.873 -9.081 1.00 0.00 H new ATOM 0 HA SER A 5 5.491 -9.657 -9.152 1.00 0.00 H new ATOM 0 HB2 SER A 5 5.517 -12.187 -8.357 1.00 0.00 H new ATOM 0 HB3 SER A 5 5.186 -12.530 -10.044 1.00 0.00 H new ATOM 0 HG SER A 5 7.460 -12.468 -9.590 1.00 0.00 H new ATOM 48 N SER A 6 4.920 -9.098 -11.481 1.00 0.00 N ATOM 49 CA SER A 6 4.620 -8.739 -12.863 1.00 0.00 C ATOM 50 C SER A 6 5.902 -8.610 -13.680 1.00 0.00 C ATOM 51 O SER A 6 6.988 -8.433 -13.129 1.00 0.00 O ATOM 52 CB SER A 6 3.836 -7.427 -12.912 1.00 0.00 C ATOM 53 OG SER A 6 4.665 -6.325 -12.586 1.00 0.00 O ATOM 0 H SER A 6 5.496 -8.419 -10.984 1.00 0.00 H new ATOM 0 HA SER A 6 4.012 -9.533 -13.296 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.416 -7.288 -13.908 1.00 0.00 H new ATOM 0 HB3 SER A 6 2.998 -7.474 -12.216 1.00 0.00 H new ATOM 0 HG SER A 6 4.141 -5.498 -12.626 1.00 0.00 H new ATOM 59 N GLY A 7 5.766 -8.700 -15.000 1.00 0.00 N ATOM 60 CA GLY A 7 6.920 -8.592 -15.873 1.00 0.00 C ATOM 61 C GLY A 7 6.725 -7.561 -16.968 1.00 0.00 C ATOM 62 O GLY A 7 6.684 -7.902 -18.150 1.00 0.00 O ATOM 0 H GLY A 7 4.878 -8.846 -15.480 1.00 0.00 H new ATOM 0 HA2 GLY A 7 7.796 -8.327 -15.281 1.00 0.00 H new ATOM 0 HA3 GLY A 7 7.122 -9.563 -16.325 1.00 0.00 H new ATOM 66 N MET A 8 6.602 -6.298 -16.574 1.00 0.00 N ATOM 67 CA MET A 8 6.409 -5.215 -17.531 1.00 0.00 C ATOM 68 C MET A 8 7.740 -4.557 -17.882 1.00 0.00 C ATOM 69 O MET A 8 8.407 -3.984 -17.020 1.00 0.00 O ATOM 70 CB MET A 8 5.444 -4.171 -16.966 1.00 0.00 C ATOM 71 CG MET A 8 5.108 -3.060 -17.947 1.00 0.00 C ATOM 72 SD MET A 8 4.489 -1.576 -17.131 1.00 0.00 S ATOM 73 CE MET A 8 2.959 -1.311 -18.024 1.00 0.00 C ATOM 0 H MET A 8 6.633 -5.999 -15.599 1.00 0.00 H new ATOM 0 HA MET A 8 5.982 -5.639 -18.440 1.00 0.00 H new ATOM 0 HB2 MET A 8 4.522 -4.667 -16.662 1.00 0.00 H new ATOM 0 HB3 MET A 8 5.881 -3.732 -16.069 1.00 0.00 H new ATOM 0 HG2 MET A 8 5.998 -2.808 -18.524 1.00 0.00 H new ATOM 0 HG3 MET A 8 4.361 -3.419 -18.655 1.00 0.00 H new ATOM 0 HE1 MET A 8 2.458 -0.425 -17.633 1.00 0.00 H new ATOM 0 HE2 MET A 8 3.176 -1.168 -19.083 1.00 0.00 H new ATOM 0 HE3 MET A 8 2.311 -2.178 -17.900 1.00 0.00 H new ATOM 83 N LEU A 9 8.121 -4.643 -19.152 1.00 0.00 N ATOM 84 CA LEU A 9 9.372 -4.056 -19.617 1.00 0.00 C ATOM 85 C LEU A 9 9.108 -2.830 -20.487 1.00 0.00 C ATOM 86 O LEU A 9 8.796 -2.953 -21.671 1.00 0.00 O ATOM 87 CB LEU A 9 10.183 -5.088 -20.403 1.00 0.00 C ATOM 88 CG LEU A 9 10.621 -6.330 -19.626 1.00 0.00 C ATOM 89 CD1 LEU A 9 9.518 -7.377 -19.628 1.00 0.00 C ATOM 90 CD2 LEU A 9 11.903 -6.902 -20.214 1.00 0.00 C ATOM 0 H LEU A 9 7.581 -5.114 -19.878 1.00 0.00 H new ATOM 0 HA LEU A 9 9.944 -3.743 -18.744 1.00 0.00 H new ATOM 0 HB2 LEU A 9 9.591 -5.410 -21.260 1.00 0.00 H new ATOM 0 HB3 LEU A 9 11.073 -4.598 -20.797 1.00 0.00 H new ATOM 0 HG LEU A 9 10.816 -6.040 -18.594 1.00 0.00 H new ATOM 0 HD11 LEU A 9 9.848 -8.254 -19.070 1.00 0.00 H new ATOM 0 HD12 LEU A 9 8.624 -6.965 -19.160 1.00 0.00 H new ATOM 0 HD13 LEU A 9 9.291 -7.664 -20.655 1.00 0.00 H new ATOM 0 HD21 LEU A 9 12.200 -7.785 -19.649 1.00 0.00 H new ATOM 0 HD22 LEU A 9 11.735 -7.177 -21.255 1.00 0.00 H new ATOM 0 HD23 LEU A 9 12.694 -6.154 -20.160 1.00 0.00 H new ATOM 102 N SER A 10 9.239 -1.649 -19.891 1.00 0.00 N ATOM 103 CA SER A 10 9.014 -0.401 -20.611 1.00 0.00 C ATOM 104 C SER A 10 10.329 0.336 -20.844 1.00 0.00 C ATOM 105 O SER A 10 10.819 1.048 -19.968 1.00 0.00 O ATOM 106 CB SER A 10 8.046 0.493 -19.834 1.00 0.00 C ATOM 107 OG SER A 10 7.500 1.500 -20.668 1.00 0.00 O ATOM 0 H SER A 10 9.500 -1.530 -18.912 1.00 0.00 H new ATOM 0 HA SER A 10 8.576 -0.643 -21.580 1.00 0.00 H new ATOM 0 HB2 SER A 10 7.242 -0.113 -19.416 1.00 0.00 H new ATOM 0 HB3 SER A 10 8.566 0.954 -18.995 1.00 0.00 H new ATOM 0 HG SER A 10 6.883 2.057 -20.148 1.00 0.00 H new ATOM 113 N ALA A 11 10.896 0.159 -22.033 1.00 0.00 N ATOM 114 CA ALA A 11 12.154 0.807 -22.384 1.00 0.00 C ATOM 115 C ALA A 11 12.467 0.632 -23.866 1.00 0.00 C ATOM 116 O ALA A 11 12.267 -0.444 -24.430 1.00 0.00 O ATOM 117 CB ALA A 11 13.288 0.253 -21.534 1.00 0.00 C ATOM 0 H ALA A 11 10.504 -0.428 -22.769 1.00 0.00 H new ATOM 0 HA ALA A 11 12.053 1.874 -22.185 1.00 0.00 H new ATOM 0 HB1 ALA A 11 14.221 0.746 -21.807 1.00 0.00 H new ATOM 0 HB2 ALA A 11 13.076 0.435 -20.481 1.00 0.00 H new ATOM 0 HB3 ALA A 11 13.380 -0.820 -21.705 1.00 0.00 H new ATOM 123 N ARG A 12 12.957 1.697 -24.492 1.00 0.00 N ATOM 124 CA ARG A 12 13.296 1.662 -25.910 1.00 0.00 C ATOM 125 C ARG A 12 14.763 2.019 -26.127 1.00 0.00 C ATOM 126 O ARG A 12 15.513 2.223 -25.172 1.00 0.00 O ATOM 127 CB ARG A 12 12.403 2.626 -26.693 1.00 0.00 C ATOM 128 CG ARG A 12 11.110 1.995 -27.185 1.00 0.00 C ATOM 129 CD ARG A 12 10.596 2.684 -28.440 1.00 0.00 C ATOM 130 NE ARG A 12 9.717 3.807 -28.126 1.00 0.00 N ATOM 131 CZ ARG A 12 8.874 4.346 -29.000 1.00 0.00 C ATOM 132 NH1 ARG A 12 8.796 3.867 -30.234 1.00 0.00 N ATOM 133 NH2 ARG A 12 8.106 5.366 -28.640 1.00 0.00 N ATOM 0 H ARG A 12 13.128 2.595 -24.040 1.00 0.00 H new ATOM 0 HA ARG A 12 13.130 0.648 -26.273 1.00 0.00 H new ATOM 0 HB2 ARG A 12 12.163 3.480 -26.060 1.00 0.00 H new ATOM 0 HB3 ARG A 12 12.959 3.009 -27.549 1.00 0.00 H new ATOM 0 HG2 ARG A 12 11.275 0.937 -27.391 1.00 0.00 H new ATOM 0 HG3 ARG A 12 10.354 2.053 -26.401 1.00 0.00 H new ATOM 0 HD2 ARG A 12 11.441 3.039 -29.031 1.00 0.00 H new ATOM 0 HD3 ARG A 12 10.057 1.963 -29.055 1.00 0.00 H new ATOM 0 HE ARG A 12 9.752 4.199 -27.185 1.00 0.00 H new ATOM 0 HH11 ARG A 12 9.384 3.082 -30.515 1.00 0.00 H new ATOM 0 HH12 ARG A 12 8.148 4.283 -30.903 1.00 0.00 H new ATOM 0 HH21 ARG A 12 8.162 5.737 -27.692 1.00 0.00 H new ATOM 0 HH22 ARG A 12 7.459 5.779 -29.312 1.00 0.00 H new ATOM 147 N THR A 13 15.168 2.094 -27.392 1.00 0.00 N ATOM 148 CA THR A 13 16.545 2.425 -27.735 1.00 0.00 C ATOM 149 C THR A 13 17.102 3.495 -26.803 1.00 0.00 C ATOM 150 O THR A 13 16.366 4.352 -26.316 1.00 0.00 O ATOM 151 CB THR A 13 16.658 2.917 -29.190 1.00 0.00 C ATOM 152 OG1 THR A 13 18.006 2.774 -29.652 1.00 0.00 O ATOM 153 CG2 THR A 13 16.230 4.373 -29.303 1.00 0.00 C ATOM 0 H THR A 13 14.561 1.930 -28.195 1.00 0.00 H new ATOM 0 HA THR A 13 17.128 1.511 -27.622 1.00 0.00 H new ATOM 0 HB THR A 13 15.996 2.311 -29.808 1.00 0.00 H new ATOM 0 HG1 THR A 13 18.069 3.087 -30.578 1.00 0.00 H new ATOM 0 HG21 THR A 13 16.318 4.699 -30.339 1.00 0.00 H new ATOM 0 HG22 THR A 13 15.195 4.474 -28.978 1.00 0.00 H new ATOM 0 HG23 THR A 13 16.870 4.990 -28.673 1.00 0.00 H new ATOM 161 N MET A 14 18.408 3.439 -26.560 1.00 0.00 N ATOM 162 CA MET A 14 19.064 4.406 -25.688 1.00 0.00 C ATOM 163 C MET A 14 20.353 4.922 -26.320 1.00 0.00 C ATOM 164 O MET A 14 21.223 5.457 -25.633 1.00 0.00 O ATOM 165 CB MET A 14 19.368 3.774 -24.328 1.00 0.00 C ATOM 166 CG MET A 14 18.382 2.688 -23.929 1.00 0.00 C ATOM 167 SD MET A 14 19.001 1.643 -22.597 1.00 0.00 S ATOM 168 CE MET A 14 19.769 2.866 -21.536 1.00 0.00 C ATOM 0 H MET A 14 19.032 2.735 -26.954 1.00 0.00 H new ATOM 0 HA MET A 14 18.387 5.248 -25.547 1.00 0.00 H new ATOM 0 HB2 MET A 14 20.373 3.351 -24.349 1.00 0.00 H new ATOM 0 HB3 MET A 14 19.366 4.553 -23.566 1.00 0.00 H new ATOM 0 HG2 MET A 14 17.445 3.150 -23.618 1.00 0.00 H new ATOM 0 HG3 MET A 14 18.159 2.069 -24.798 1.00 0.00 H new ATOM 0 HE1 MET A 14 19.847 2.471 -20.523 1.00 0.00 H new ATOM 0 HE2 MET A 14 20.765 3.100 -21.912 1.00 0.00 H new ATOM 0 HE3 MET A 14 19.163 3.772 -21.527 1.00 0.00 H new ATOM 178 N LYS A 15 20.468 4.759 -27.634 1.00 0.00 N ATOM 179 CA LYS A 15 21.649 5.210 -28.360 1.00 0.00 C ATOM 180 C LYS A 15 21.731 6.733 -28.374 1.00 0.00 C ATOM 181 O LYS A 15 22.821 7.304 -28.407 1.00 0.00 O ATOM 182 CB LYS A 15 21.626 4.677 -29.795 1.00 0.00 C ATOM 183 CG LYS A 15 22.275 3.312 -29.948 1.00 0.00 C ATOM 184 CD LYS A 15 21.438 2.220 -29.303 1.00 0.00 C ATOM 185 CE LYS A 15 21.868 0.839 -29.771 1.00 0.00 C ATOM 186 NZ LYS A 15 23.334 0.770 -30.023 1.00 0.00 N ATOM 0 H LYS A 15 19.757 4.318 -28.218 1.00 0.00 H new ATOM 0 HA LYS A 15 22.529 4.821 -27.848 1.00 0.00 H new ATOM 0 HB2 LYS A 15 20.592 4.619 -30.135 1.00 0.00 H new ATOM 0 HB3 LYS A 15 22.136 5.387 -30.446 1.00 0.00 H new ATOM 0 HG2 LYS A 15 22.411 3.090 -31.006 1.00 0.00 H new ATOM 0 HG3 LYS A 15 23.266 3.327 -29.495 1.00 0.00 H new ATOM 0 HD2 LYS A 15 21.529 2.283 -28.219 1.00 0.00 H new ATOM 0 HD3 LYS A 15 20.386 2.376 -29.544 1.00 0.00 H new ATOM 0 HE2 LYS A 15 21.594 0.099 -29.019 1.00 0.00 H new ATOM 0 HE3 LYS A 15 21.330 0.581 -30.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 23.628 -0.225 -30.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 23.556 1.258 -30.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 23.843 1.229 -29.241 1.00 0.00 H new ATOM 200 N GLU A 16 20.572 7.383 -28.348 1.00 0.00 N ATOM 201 CA GLU A 16 20.515 8.840 -28.356 1.00 0.00 C ATOM 202 C GLU A 16 20.283 9.384 -26.949 1.00 0.00 C ATOM 203 O GLU A 16 21.015 10.256 -26.480 1.00 0.00 O ATOM 204 CB GLU A 16 19.404 9.323 -29.291 1.00 0.00 C ATOM 205 CG GLU A 16 18.264 8.331 -29.445 1.00 0.00 C ATOM 206 CD GLU A 16 17.126 8.876 -30.286 1.00 0.00 C ATOM 207 OE1 GLU A 16 17.386 9.300 -31.432 1.00 0.00 O ATOM 208 OE2 GLU A 16 15.976 8.878 -29.800 1.00 0.00 O ATOM 0 H GLU A 16 19.661 6.925 -28.321 1.00 0.00 H new ATOM 0 HA GLU A 16 21.473 9.214 -28.717 1.00 0.00 H new ATOM 0 HB2 GLU A 16 19.006 10.265 -28.913 1.00 0.00 H new ATOM 0 HB3 GLU A 16 19.831 9.529 -30.273 1.00 0.00 H new ATOM 0 HG2 GLU A 16 18.642 7.416 -29.901 1.00 0.00 H new ATOM 0 HG3 GLU A 16 17.886 8.062 -28.459 1.00 0.00 H new ATOM 215 N VAL A 17 19.259 8.863 -26.281 1.00 0.00 N ATOM 216 CA VAL A 17 18.930 9.295 -24.928 1.00 0.00 C ATOM 217 C VAL A 17 19.091 10.803 -24.778 1.00 0.00 C ATOM 218 O VAL A 17 19.314 11.309 -23.677 1.00 0.00 O ATOM 219 CB VAL A 17 19.815 8.589 -23.883 1.00 0.00 C ATOM 220 CG1 VAL A 17 21.229 9.150 -23.914 1.00 0.00 C ATOM 221 CG2 VAL A 17 19.210 8.724 -22.494 1.00 0.00 C ATOM 0 H VAL A 17 18.643 8.141 -26.655 1.00 0.00 H new ATOM 0 HA VAL A 17 17.888 9.025 -24.754 1.00 0.00 H new ATOM 0 HB VAL A 17 19.865 7.529 -24.131 1.00 0.00 H new ATOM 0 HG11 VAL A 17 21.839 8.639 -23.169 1.00 0.00 H new ATOM 0 HG12 VAL A 17 21.660 8.996 -24.903 1.00 0.00 H new ATOM 0 HG13 VAL A 17 21.202 10.217 -23.692 1.00 0.00 H new ATOM 0 HG21 VAL A 17 19.848 8.219 -21.769 1.00 0.00 H new ATOM 0 HG22 VAL A 17 19.128 9.779 -22.234 1.00 0.00 H new ATOM 0 HG23 VAL A 17 18.219 8.270 -22.483 1.00 0.00 H new ATOM 231 N VAL A 18 18.976 11.519 -25.892 1.00 0.00 N ATOM 232 CA VAL A 18 19.107 12.971 -25.885 1.00 0.00 C ATOM 233 C VAL A 18 17.800 13.643 -26.290 1.00 0.00 C ATOM 234 O VAL A 18 17.408 14.659 -25.716 1.00 0.00 O ATOM 235 CB VAL A 18 20.227 13.438 -26.833 1.00 0.00 C ATOM 236 CG1 VAL A 18 21.588 13.013 -26.304 1.00 0.00 C ATOM 237 CG2 VAL A 18 19.998 12.895 -28.236 1.00 0.00 C ATOM 0 H VAL A 18 18.792 11.117 -26.811 1.00 0.00 H new ATOM 0 HA VAL A 18 19.360 13.261 -24.865 1.00 0.00 H new ATOM 0 HB VAL A 18 20.207 14.527 -26.881 1.00 0.00 H new ATOM 0 HG11 VAL A 18 22.366 13.352 -26.988 1.00 0.00 H new ATOM 0 HG12 VAL A 18 21.751 13.455 -25.321 1.00 0.00 H new ATOM 0 HG13 VAL A 18 21.624 11.927 -26.224 1.00 0.00 H new ATOM 0 HG21 VAL A 18 20.799 13.235 -28.893 1.00 0.00 H new ATOM 0 HG22 VAL A 18 19.990 11.805 -28.208 1.00 0.00 H new ATOM 0 HG23 VAL A 18 19.041 13.255 -28.614 1.00 0.00 H new ATOM 247 N TYR A 19 17.129 13.068 -27.282 1.00 0.00 N ATOM 248 CA TYR A 19 15.866 13.613 -27.767 1.00 0.00 C ATOM 249 C TYR A 19 14.694 13.083 -26.947 1.00 0.00 C ATOM 250 O TYR A 19 13.535 13.386 -27.232 1.00 0.00 O ATOM 251 CB TYR A 19 15.669 13.263 -29.243 1.00 0.00 C ATOM 252 CG TYR A 19 16.892 13.520 -30.095 1.00 0.00 C ATOM 253 CD1 TYR A 19 17.183 14.796 -30.560 1.00 0.00 C ATOM 254 CD2 TYR A 19 17.756 12.486 -30.434 1.00 0.00 C ATOM 255 CE1 TYR A 19 18.299 15.035 -31.339 1.00 0.00 C ATOM 256 CE2 TYR A 19 18.874 12.716 -31.211 1.00 0.00 C ATOM 257 CZ TYR A 19 19.142 13.992 -31.661 1.00 0.00 C ATOM 258 OH TYR A 19 20.254 14.225 -32.437 1.00 0.00 O ATOM 0 H TYR A 19 17.438 12.225 -27.766 1.00 0.00 H new ATOM 0 HA TYR A 19 15.902 14.697 -27.659 1.00 0.00 H new ATOM 0 HB2 TYR A 19 15.394 12.211 -29.325 1.00 0.00 H new ATOM 0 HB3 TYR A 19 14.834 13.842 -29.637 1.00 0.00 H new ATOM 0 HD1 TYR A 19 16.526 15.615 -30.308 1.00 0.00 H new ATOM 0 HD2 TYR A 19 17.550 11.485 -30.084 1.00 0.00 H new ATOM 0 HE1 TYR A 19 18.510 16.033 -31.694 1.00 0.00 H new ATOM 0 HE2 TYR A 19 19.535 11.901 -31.465 1.00 0.00 H new ATOM 0 HH TYR A 19 20.742 13.385 -32.570 1.00 0.00 H new ATOM 268 N TRP A 20 15.005 12.291 -25.927 1.00 0.00 N ATOM 269 CA TRP A 20 13.978 11.719 -25.063 1.00 0.00 C ATOM 270 C TRP A 20 13.030 12.799 -24.554 1.00 0.00 C ATOM 271 O TRP A 20 13.212 13.983 -24.841 1.00 0.00 O ATOM 272 CB TRP A 20 14.623 10.991 -23.883 1.00 0.00 C ATOM 273 CG TRP A 20 15.051 9.592 -24.210 1.00 0.00 C ATOM 274 CD1 TRP A 20 14.988 8.980 -25.429 1.00 0.00 C ATOM 275 CD2 TRP A 20 15.607 8.632 -23.305 1.00 0.00 C ATOM 276 NE1 TRP A 20 15.471 7.697 -25.336 1.00 0.00 N ATOM 277 CE2 TRP A 20 15.858 7.460 -24.043 1.00 0.00 C ATOM 278 CE3 TRP A 20 15.919 8.650 -21.943 1.00 0.00 C ATOM 279 CZ2 TRP A 20 16.405 6.318 -23.463 1.00 0.00 C ATOM 280 CZ3 TRP A 20 16.461 7.516 -21.369 1.00 0.00 C ATOM 281 CH2 TRP A 20 16.700 6.363 -22.128 1.00 0.00 C ATOM 0 H TRP A 20 15.959 12.030 -25.678 1.00 0.00 H new ATOM 0 HA TRP A 20 13.401 11.004 -25.650 1.00 0.00 H new ATOM 0 HB2 TRP A 20 15.490 11.559 -23.545 1.00 0.00 H new ATOM 0 HB3 TRP A 20 13.917 10.963 -23.053 1.00 0.00 H new ATOM 0 HD1 TRP A 20 14.614 9.437 -26.333 1.00 0.00 H new ATOM 0 HE1 TRP A 20 15.532 7.029 -26.105 1.00 0.00 H new ATOM 0 HE3 TRP A 20 15.740 9.534 -21.350 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 16.590 5.428 -24.047 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 16.705 7.519 -20.317 1.00 0.00 H new ATOM 0 HH2 TRP A 20 17.125 5.493 -21.650 1.00 0.00 H new ATOM 292 N SER A 21 12.020 12.386 -23.797 1.00 0.00 N ATOM 293 CA SER A 21 11.042 13.319 -23.250 1.00 0.00 C ATOM 294 C SER A 21 11.246 13.503 -21.749 1.00 0.00 C ATOM 295 O SER A 21 11.964 12.745 -21.097 1.00 0.00 O ATOM 296 CB SER A 21 9.621 12.822 -23.526 1.00 0.00 C ATOM 297 OG SER A 21 9.071 13.458 -24.666 1.00 0.00 O ATOM 0 H SER A 21 11.857 11.410 -23.548 1.00 0.00 H new ATOM 0 HA SER A 21 11.184 14.283 -23.739 1.00 0.00 H new ATOM 0 HB2 SER A 21 9.633 11.743 -23.678 1.00 0.00 H new ATOM 0 HB3 SER A 21 8.990 13.015 -22.658 1.00 0.00 H new ATOM 0 HG SER A 21 8.164 13.122 -24.822 1.00 0.00 H new ATOM 303 N PRO A 22 10.600 14.535 -21.187 1.00 0.00 N ATOM 304 CA PRO A 22 10.694 14.844 -19.757 1.00 0.00 C ATOM 305 C PRO A 22 9.990 13.805 -18.892 1.00 0.00 C ATOM 306 O PRO A 22 10.182 13.760 -17.677 1.00 0.00 O ATOM 307 CB PRO A 22 9.994 16.200 -19.641 1.00 0.00 C ATOM 308 CG PRO A 22 9.054 16.242 -20.796 1.00 0.00 C ATOM 309 CD PRO A 22 9.726 15.479 -21.904 1.00 0.00 C ATOM 0 HA PRO A 22 11.727 14.851 -19.408 1.00 0.00 H new ATOM 0 HB2 PRO A 22 9.462 16.291 -18.694 1.00 0.00 H new ATOM 0 HB3 PRO A 22 10.711 17.020 -19.684 1.00 0.00 H new ATOM 0 HG2 PRO A 22 8.096 15.791 -20.536 1.00 0.00 H new ATOM 0 HG3 PRO A 22 8.851 17.270 -21.097 1.00 0.00 H new ATOM 0 HD2 PRO A 22 9.001 14.959 -22.531 1.00 0.00 H new ATOM 0 HD3 PRO A 22 10.297 16.139 -22.557 1.00 0.00 H new ATOM 317 N LYS A 23 9.173 12.969 -19.525 1.00 0.00 N ATOM 318 CA LYS A 23 8.441 11.928 -18.814 1.00 0.00 C ATOM 319 C LYS A 23 9.175 10.593 -18.897 1.00 0.00 C ATOM 320 O LYS A 23 8.993 9.719 -18.049 1.00 0.00 O ATOM 321 CB LYS A 23 7.031 11.784 -19.390 1.00 0.00 C ATOM 322 CG LYS A 23 6.057 12.835 -18.886 1.00 0.00 C ATOM 323 CD LYS A 23 5.623 12.553 -17.457 1.00 0.00 C ATOM 324 CE LYS A 23 4.391 11.661 -17.415 1.00 0.00 C ATOM 325 NZ LYS A 23 4.743 10.222 -17.573 1.00 0.00 N ATOM 0 H LYS A 23 9.001 12.993 -20.530 1.00 0.00 H new ATOM 0 HA LYS A 23 8.371 12.219 -17.766 1.00 0.00 H new ATOM 0 HB2 LYS A 23 7.084 11.842 -20.477 1.00 0.00 H new ATOM 0 HB3 LYS A 23 6.646 10.795 -19.142 1.00 0.00 H new ATOM 0 HG2 LYS A 23 6.523 13.819 -18.938 1.00 0.00 H new ATOM 0 HG3 LYS A 23 5.181 12.862 -19.535 1.00 0.00 H new ATOM 0 HD2 LYS A 23 6.439 12.074 -16.915 1.00 0.00 H new ATOM 0 HD3 LYS A 23 5.411 13.493 -16.948 1.00 0.00 H new ATOM 0 HE2 LYS A 23 3.870 11.806 -16.469 1.00 0.00 H new ATOM 0 HE3 LYS A 23 3.702 11.956 -18.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 4.032 9.636 -17.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 4.764 9.979 -18.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 5.679 10.046 -17.155 1.00 0.00 H new ATOM 339 N LYS A 24 10.005 10.443 -19.924 1.00 0.00 N ATOM 340 CA LYS A 24 10.768 9.216 -20.117 1.00 0.00 C ATOM 341 C LYS A 24 11.996 9.190 -19.213 1.00 0.00 C ATOM 342 O LYS A 24 12.216 8.231 -18.474 1.00 0.00 O ATOM 343 CB LYS A 24 11.197 9.083 -21.580 1.00 0.00 C ATOM 344 CG LYS A 24 12.381 8.154 -21.785 1.00 0.00 C ATOM 345 CD LYS A 24 12.107 6.768 -21.227 1.00 0.00 C ATOM 346 CE LYS A 24 13.318 5.859 -21.371 1.00 0.00 C ATOM 347 NZ LYS A 24 13.052 4.493 -20.840 1.00 0.00 N ATOM 0 H LYS A 24 10.166 11.156 -20.635 1.00 0.00 H new ATOM 0 HA LYS A 24 10.127 8.375 -19.854 1.00 0.00 H new ATOM 0 HB2 LYS A 24 10.353 8.717 -22.165 1.00 0.00 H new ATOM 0 HB3 LYS A 24 11.449 10.070 -21.967 1.00 0.00 H new ATOM 0 HG2 LYS A 24 12.607 8.081 -22.849 1.00 0.00 H new ATOM 0 HG3 LYS A 24 13.262 8.574 -21.300 1.00 0.00 H new ATOM 0 HD2 LYS A 24 11.833 6.846 -20.175 1.00 0.00 H new ATOM 0 HD3 LYS A 24 11.256 6.327 -21.747 1.00 0.00 H new ATOM 0 HE2 LYS A 24 13.599 5.792 -22.422 1.00 0.00 H new ATOM 0 HE3 LYS A 24 14.165 6.296 -20.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 13.901 3.904 -20.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 12.809 4.554 -19.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 12.260 4.066 -21.362 1.00 0.00 H new ATOM 361 N VAL A 25 12.794 10.252 -19.275 1.00 0.00 N ATOM 362 CA VAL A 25 13.999 10.352 -18.460 1.00 0.00 C ATOM 363 C VAL A 25 13.766 9.786 -17.064 1.00 0.00 C ATOM 364 O VAL A 25 14.662 9.188 -16.469 1.00 0.00 O ATOM 365 CB VAL A 25 14.474 11.812 -18.338 1.00 0.00 C ATOM 366 CG1 VAL A 25 15.694 11.903 -17.434 1.00 0.00 C ATOM 367 CG2 VAL A 25 14.774 12.391 -19.712 1.00 0.00 C ATOM 0 H VAL A 25 12.627 11.055 -19.881 1.00 0.00 H new ATOM 0 HA VAL A 25 14.770 9.768 -18.962 1.00 0.00 H new ATOM 0 HB VAL A 25 13.674 12.400 -17.888 1.00 0.00 H new ATOM 0 HG11 VAL A 25 16.015 12.942 -17.360 1.00 0.00 H new ATOM 0 HG12 VAL A 25 15.440 11.530 -16.442 1.00 0.00 H new ATOM 0 HG13 VAL A 25 16.502 11.302 -17.852 1.00 0.00 H new ATOM 0 HG21 VAL A 25 15.108 13.423 -19.607 1.00 0.00 H new ATOM 0 HG22 VAL A 25 15.557 11.803 -20.192 1.00 0.00 H new ATOM 0 HG23 VAL A 25 13.872 12.362 -20.324 1.00 0.00 H new ATOM 377 N ALA A 26 12.557 9.979 -16.547 1.00 0.00 N ATOM 378 CA ALA A 26 12.206 9.485 -15.221 1.00 0.00 C ATOM 379 C ALA A 26 12.087 7.965 -15.215 1.00 0.00 C ATOM 380 O ALA A 26 12.780 7.281 -14.461 1.00 0.00 O ATOM 381 CB ALA A 26 10.906 10.120 -14.749 1.00 0.00 C ATOM 0 H ALA A 26 11.804 10.474 -17.026 1.00 0.00 H new ATOM 0 HA ALA A 26 13.005 9.763 -14.533 1.00 0.00 H new ATOM 0 HB1 ALA A 26 10.656 9.742 -13.758 1.00 0.00 H new ATOM 0 HB2 ALA A 26 11.025 11.203 -14.706 1.00 0.00 H new ATOM 0 HB3 ALA A 26 10.105 9.870 -15.445 1.00 0.00 H new ATOM 387 N ASP A 27 11.205 7.442 -16.059 1.00 0.00 N ATOM 388 CA ASP A 27 10.995 6.002 -16.151 1.00 0.00 C ATOM 389 C ASP A 27 12.326 5.257 -16.135 1.00 0.00 C ATOM 390 O ASP A 27 12.435 4.174 -15.559 1.00 0.00 O ATOM 391 CB ASP A 27 10.219 5.658 -17.424 1.00 0.00 C ATOM 392 CG ASP A 27 8.719 5.676 -17.210 1.00 0.00 C ATOM 393 OD1 ASP A 27 8.245 6.493 -16.393 1.00 0.00 O ATOM 394 OD2 ASP A 27 8.018 4.873 -17.861 1.00 0.00 O ATOM 0 H ASP A 27 10.624 7.994 -16.690 1.00 0.00 H new ATOM 0 HA ASP A 27 10.413 5.689 -15.284 1.00 0.00 H new ATOM 0 HB2 ASP A 27 10.480 6.369 -18.208 1.00 0.00 H new ATOM 0 HB3 ASP A 27 10.521 4.671 -17.775 1.00 0.00 H new ATOM 399 N TRP A 28 13.334 5.843 -16.770 1.00 0.00 N ATOM 400 CA TRP A 28 14.658 5.234 -16.828 1.00 0.00 C ATOM 401 C TRP A 28 15.280 5.149 -15.439 1.00 0.00 C ATOM 402 O TRP A 28 15.911 4.150 -15.090 1.00 0.00 O ATOM 403 CB TRP A 28 15.569 6.035 -17.760 1.00 0.00 C ATOM 404 CG TRP A 28 16.993 5.566 -17.746 1.00 0.00 C ATOM 405 CD1 TRP A 28 17.497 4.458 -18.365 1.00 0.00 C ATOM 406 CD2 TRP A 28 18.094 6.190 -17.078 1.00 0.00 C ATOM 407 NE1 TRP A 28 18.846 4.356 -18.122 1.00 0.00 N ATOM 408 CE2 TRP A 28 19.236 5.407 -17.336 1.00 0.00 C ATOM 409 CE3 TRP A 28 18.227 7.336 -16.288 1.00 0.00 C ATOM 410 CZ2 TRP A 28 20.492 5.734 -16.831 1.00 0.00 C ATOM 411 CZ3 TRP A 28 19.474 7.659 -15.788 1.00 0.00 C ATOM 412 CH2 TRP A 28 20.593 6.861 -16.061 1.00 0.00 C ATOM 0 H TRP A 28 13.260 6.739 -17.252 1.00 0.00 H new ATOM 0 HA TRP A 28 14.549 4.222 -17.219 1.00 0.00 H new ATOM 0 HB2 TRP A 28 15.183 5.971 -18.777 1.00 0.00 H new ATOM 0 HB3 TRP A 28 15.537 7.086 -17.473 1.00 0.00 H new ATOM 0 HD1 TRP A 28 16.920 3.764 -18.958 1.00 0.00 H new ATOM 0 HE1 TRP A 28 19.457 3.617 -18.471 1.00 0.00 H new ATOM 0 HE3 TRP A 28 17.370 7.958 -16.072 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 21.356 5.120 -17.040 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 19.588 8.542 -15.176 1.00 0.00 H new ATOM 0 HH2 TRP A 28 21.554 7.141 -15.656 1.00 0.00 H new ATOM 423 N LEU A 29 15.098 6.201 -14.649 1.00 0.00 N ATOM 424 CA LEU A 29 15.642 6.245 -13.296 1.00 0.00 C ATOM 425 C LEU A 29 15.112 5.086 -12.458 1.00 0.00 C ATOM 426 O LEU A 29 15.878 4.241 -11.992 1.00 0.00 O ATOM 427 CB LEU A 29 15.291 7.575 -12.627 1.00 0.00 C ATOM 428 CG LEU A 29 15.778 8.836 -13.342 1.00 0.00 C ATOM 429 CD1 LEU A 29 15.059 10.064 -12.808 1.00 0.00 C ATOM 430 CD2 LEU A 29 17.284 8.988 -13.189 1.00 0.00 C ATOM 0 H LEU A 29 14.578 7.035 -14.922 1.00 0.00 H new ATOM 0 HA LEU A 29 16.726 6.154 -13.364 1.00 0.00 H new ATOM 0 HB2 LEU A 29 14.207 7.634 -12.528 1.00 0.00 H new ATOM 0 HB3 LEU A 29 15.704 7.571 -11.618 1.00 0.00 H new ATOM 0 HG LEU A 29 15.549 8.740 -14.403 1.00 0.00 H new ATOM 0 HD11 LEU A 29 15.419 10.951 -13.329 1.00 0.00 H new ATOM 0 HD12 LEU A 29 13.987 9.957 -12.971 1.00 0.00 H new ATOM 0 HD13 LEU A 29 15.255 10.165 -11.741 1.00 0.00 H new ATOM 0 HD21 LEU A 29 17.613 9.891 -13.704 1.00 0.00 H new ATOM 0 HD22 LEU A 29 17.537 9.061 -12.131 1.00 0.00 H new ATOM 0 HD23 LEU A 29 17.783 8.121 -13.622 1.00 0.00 H new ATOM 442 N LEU A 30 13.797 5.050 -12.272 1.00 0.00 N ATOM 443 CA LEU A 30 13.164 3.993 -11.492 1.00 0.00 C ATOM 444 C LEU A 30 13.599 2.617 -11.986 1.00 0.00 C ATOM 445 O LEU A 30 13.681 1.666 -11.209 1.00 0.00 O ATOM 446 CB LEU A 30 11.641 4.117 -11.570 1.00 0.00 C ATOM 447 CG LEU A 30 11.074 5.528 -11.415 1.00 0.00 C ATOM 448 CD1 LEU A 30 11.923 6.341 -10.450 1.00 0.00 C ATOM 449 CD2 LEU A 30 10.988 6.221 -12.767 1.00 0.00 C ATOM 0 H LEU A 30 13.149 5.741 -12.651 1.00 0.00 H new ATOM 0 HA LEU A 30 13.479 4.103 -10.454 1.00 0.00 H new ATOM 0 HB2 LEU A 30 11.313 3.719 -12.530 1.00 0.00 H new ATOM 0 HB3 LEU A 30 11.205 3.485 -10.797 1.00 0.00 H new ATOM 0 HG LEU A 30 10.067 5.451 -11.005 1.00 0.00 H new ATOM 0 HD11 LEU A 30 11.504 7.343 -10.352 1.00 0.00 H new ATOM 0 HD12 LEU A 30 11.932 5.854 -9.475 1.00 0.00 H new ATOM 0 HD13 LEU A 30 12.942 6.409 -10.831 1.00 0.00 H new ATOM 0 HD21 LEU A 30 10.582 7.224 -12.636 1.00 0.00 H new ATOM 0 HD22 LEU A 30 11.983 6.287 -13.206 1.00 0.00 H new ATOM 0 HD23 LEU A 30 10.337 5.649 -13.428 1.00 0.00 H new ATOM 461 N GLU A 31 13.878 2.519 -13.282 1.00 0.00 N ATOM 462 CA GLU A 31 14.307 1.260 -13.878 1.00 0.00 C ATOM 463 C GLU A 31 15.610 0.776 -13.248 1.00 0.00 C ATOM 464 O GLU A 31 15.890 -0.422 -13.219 1.00 0.00 O ATOM 465 CB GLU A 31 14.487 1.420 -15.389 1.00 0.00 C ATOM 466 CG GLU A 31 14.692 0.104 -16.120 1.00 0.00 C ATOM 467 CD GLU A 31 13.391 -0.634 -16.369 1.00 0.00 C ATOM 468 OE1 GLU A 31 12.653 -0.882 -15.393 1.00 0.00 O ATOM 469 OE2 GLU A 31 13.111 -0.962 -17.541 1.00 0.00 O ATOM 0 H GLU A 31 13.815 3.297 -13.939 1.00 0.00 H new ATOM 0 HA GLU A 31 13.533 0.516 -13.689 1.00 0.00 H new ATOM 0 HB2 GLU A 31 13.611 1.921 -15.800 1.00 0.00 H new ATOM 0 HB3 GLU A 31 15.343 2.068 -15.578 1.00 0.00 H new ATOM 0 HG2 GLU A 31 15.185 0.295 -17.073 1.00 0.00 H new ATOM 0 HG3 GLU A 31 15.360 -0.531 -15.537 1.00 0.00 H new ATOM 476 N ASN A 32 16.403 1.717 -12.745 1.00 0.00 N ATOM 477 CA ASN A 32 17.677 1.387 -12.117 1.00 0.00 C ATOM 478 C ASN A 32 17.648 1.712 -10.626 1.00 0.00 C ATOM 479 O ASN A 32 18.692 1.820 -9.984 1.00 0.00 O ATOM 480 CB ASN A 32 18.817 2.150 -12.795 1.00 0.00 C ATOM 481 CG ASN A 32 18.334 3.401 -13.503 1.00 0.00 C ATOM 482 OD1 ASN A 32 18.091 4.430 -12.872 1.00 0.00 O ATOM 483 ND2 ASN A 32 18.192 3.317 -14.820 1.00 0.00 N ATOM 0 H ASN A 32 16.186 2.713 -12.760 1.00 0.00 H new ATOM 0 HA ASN A 32 17.846 0.317 -12.235 1.00 0.00 H new ATOM 0 HB2 ASN A 32 19.562 2.423 -12.048 1.00 0.00 H new ATOM 0 HB3 ASN A 32 19.311 1.496 -13.514 1.00 0.00 H new ATOM 0 HD21 ASN A 32 17.870 4.126 -15.351 1.00 0.00 H new ATOM 0 HD22 ASN A 32 18.405 2.443 -15.301 1.00 0.00 H new ATOM 490 N ALA A 33 16.445 1.866 -10.083 1.00 0.00 N ATOM 491 CA ALA A 33 16.280 2.175 -8.668 1.00 0.00 C ATOM 492 C ALA A 33 16.820 3.564 -8.343 1.00 0.00 C ATOM 493 O ALA A 33 17.508 3.753 -7.340 1.00 0.00 O ATOM 494 CB ALA A 33 16.972 1.124 -7.813 1.00 0.00 C ATOM 0 H ALA A 33 15.571 1.782 -10.601 1.00 0.00 H new ATOM 0 HA ALA A 33 15.214 2.166 -8.442 1.00 0.00 H new ATOM 0 HB1 ALA A 33 16.840 1.368 -6.759 1.00 0.00 H new ATOM 0 HB2 ALA A 33 16.537 0.146 -8.016 1.00 0.00 H new ATOM 0 HB3 ALA A 33 18.036 1.104 -8.051 1.00 0.00 H new ATOM 500 N MET A 34 16.505 4.531 -9.198 1.00 0.00 N ATOM 501 CA MET A 34 16.960 5.903 -9.001 1.00 0.00 C ATOM 502 C MET A 34 15.776 6.854 -8.861 1.00 0.00 C ATOM 503 O MET A 34 15.724 7.915 -9.484 1.00 0.00 O ATOM 504 CB MET A 34 17.846 6.341 -10.168 1.00 0.00 C ATOM 505 CG MET A 34 19.128 5.533 -10.295 1.00 0.00 C ATOM 506 SD MET A 34 20.450 6.451 -11.108 1.00 0.00 S ATOM 507 CE MET A 34 20.007 6.230 -12.829 1.00 0.00 C ATOM 0 H MET A 34 15.937 4.391 -10.033 1.00 0.00 H new ATOM 0 HA MET A 34 17.541 5.938 -8.080 1.00 0.00 H new ATOM 0 HB2 MET A 34 17.279 6.256 -11.095 1.00 0.00 H new ATOM 0 HB3 MET A 34 18.100 7.394 -10.045 1.00 0.00 H new ATOM 0 HG2 MET A 34 19.460 5.227 -9.303 1.00 0.00 H new ATOM 0 HG3 MET A 34 18.924 4.622 -10.858 1.00 0.00 H new ATOM 0 HE1 MET A 34 20.571 6.932 -13.443 1.00 0.00 H new ATOM 0 HE2 MET A 34 20.240 5.211 -13.137 1.00 0.00 H new ATOM 0 HE3 MET A 34 18.940 6.412 -12.956 1.00 0.00 H new ATOM 517 N PRO A 35 14.800 6.467 -8.026 1.00 0.00 N ATOM 518 CA PRO A 35 13.598 7.271 -7.786 1.00 0.00 C ATOM 519 C PRO A 35 13.900 8.544 -7.002 1.00 0.00 C ATOM 520 O PRO A 35 13.038 9.410 -6.853 1.00 0.00 O ATOM 521 CB PRO A 35 12.704 6.337 -6.966 1.00 0.00 C ATOM 522 CG PRO A 35 13.649 5.401 -6.295 1.00 0.00 C ATOM 523 CD PRO A 35 14.796 5.215 -7.250 1.00 0.00 C ATOM 0 HA PRO A 35 13.142 7.611 -8.716 1.00 0.00 H new ATOM 0 HB2 PRO A 35 12.113 6.893 -6.238 1.00 0.00 H new ATOM 0 HB3 PRO A 35 12.001 5.801 -7.604 1.00 0.00 H new ATOM 0 HG2 PRO A 35 13.994 5.809 -5.345 1.00 0.00 H new ATOM 0 HG3 PRO A 35 13.166 4.449 -6.076 1.00 0.00 H new ATOM 0 HD2 PRO A 35 15.738 5.066 -6.722 1.00 0.00 H new ATOM 0 HD3 PRO A 35 14.649 4.346 -7.891 1.00 0.00 H new ATOM 531 N GLU A 36 15.128 8.651 -6.504 1.00 0.00 N ATOM 532 CA GLU A 36 15.541 9.818 -5.734 1.00 0.00 C ATOM 533 C GLU A 36 15.974 10.953 -6.657 1.00 0.00 C ATOM 534 O GLU A 36 15.993 12.118 -6.260 1.00 0.00 O ATOM 535 CB GLU A 36 16.684 9.453 -4.785 1.00 0.00 C ATOM 536 CG GLU A 36 17.913 8.908 -5.494 1.00 0.00 C ATOM 537 CD GLU A 36 18.699 7.937 -4.636 1.00 0.00 C ATOM 538 OE1 GLU A 36 18.088 6.987 -4.102 1.00 0.00 O ATOM 539 OE2 GLU A 36 19.926 8.126 -4.498 1.00 0.00 O ATOM 0 H GLU A 36 15.854 7.944 -6.620 1.00 0.00 H new ATOM 0 HA GLU A 36 14.686 10.155 -5.148 1.00 0.00 H new ATOM 0 HB2 GLU A 36 16.967 10.337 -4.213 1.00 0.00 H new ATOM 0 HB3 GLU A 36 16.329 8.711 -4.070 1.00 0.00 H new ATOM 0 HG2 GLU A 36 17.606 8.409 -6.413 1.00 0.00 H new ATOM 0 HG3 GLU A 36 18.559 9.737 -5.782 1.00 0.00 H new ATOM 546 N TYR A 37 16.323 10.604 -7.891 1.00 0.00 N ATOM 547 CA TYR A 37 16.759 11.592 -8.870 1.00 0.00 C ATOM 548 C TYR A 37 15.598 12.031 -9.756 1.00 0.00 C ATOM 549 O TYR A 37 15.710 12.997 -10.513 1.00 0.00 O ATOM 550 CB TYR A 37 17.886 11.021 -9.733 1.00 0.00 C ATOM 551 CG TYR A 37 19.199 10.875 -8.997 1.00 0.00 C ATOM 552 CD1 TYR A 37 19.848 11.984 -8.468 1.00 0.00 C ATOM 553 CD2 TYR A 37 19.788 9.628 -8.829 1.00 0.00 C ATOM 554 CE1 TYR A 37 21.048 11.855 -7.795 1.00 0.00 C ATOM 555 CE2 TYR A 37 20.987 9.490 -8.156 1.00 0.00 C ATOM 556 CZ TYR A 37 21.613 10.606 -7.641 1.00 0.00 C ATOM 557 OH TYR A 37 22.807 10.473 -6.970 1.00 0.00 O ATOM 0 H TYR A 37 16.312 9.644 -8.236 1.00 0.00 H new ATOM 0 HA TYR A 37 17.129 12.463 -8.329 1.00 0.00 H new ATOM 0 HB2 TYR A 37 17.582 10.046 -10.113 1.00 0.00 H new ATOM 0 HB3 TYR A 37 18.034 11.668 -10.597 1.00 0.00 H new ATOM 0 HD1 TYR A 37 19.407 12.963 -8.585 1.00 0.00 H new ATOM 0 HD2 TYR A 37 19.301 8.752 -9.231 1.00 0.00 H new ATOM 0 HE1 TYR A 37 21.541 12.727 -7.392 1.00 0.00 H new ATOM 0 HE2 TYR A 37 21.432 8.513 -8.034 1.00 0.00 H new ATOM 0 HH TYR A 37 23.067 9.528 -6.949 1.00 0.00 H new ATOM 567 N CYS A 38 14.483 11.316 -9.656 1.00 0.00 N ATOM 568 CA CYS A 38 13.299 11.631 -10.448 1.00 0.00 C ATOM 569 C CYS A 38 12.815 13.049 -10.162 1.00 0.00 C ATOM 570 O CYS A 38 12.449 13.786 -11.077 1.00 0.00 O ATOM 571 CB CYS A 38 12.182 10.629 -10.153 1.00 0.00 C ATOM 572 SG CYS A 38 11.029 10.385 -11.524 1.00 0.00 S ATOM 0 H CYS A 38 14.374 10.515 -9.035 1.00 0.00 H new ATOM 0 HA CYS A 38 13.569 11.564 -11.502 1.00 0.00 H new ATOM 0 HB2 CYS A 38 12.629 9.669 -9.893 1.00 0.00 H new ATOM 0 HB3 CYS A 38 11.625 10.969 -9.280 1.00 0.00 H new ATOM 0 HG CYS A 38 10.122 9.519 -11.180 1.00 0.00 H new ATOM 578 N GLU A 39 12.814 13.423 -8.887 1.00 0.00 N ATOM 579 CA GLU A 39 12.374 14.752 -8.481 1.00 0.00 C ATOM 580 C GLU A 39 13.119 15.833 -9.259 1.00 0.00 C ATOM 581 O GLU A 39 12.525 16.645 -9.968 1.00 0.00 O ATOM 582 CB GLU A 39 12.588 14.949 -6.979 1.00 0.00 C ATOM 583 CG GLU A 39 11.365 14.619 -6.141 1.00 0.00 C ATOM 584 CD GLU A 39 11.297 15.431 -4.862 1.00 0.00 C ATOM 585 OE1 GLU A 39 12.320 15.507 -4.152 1.00 0.00 O ATOM 586 OE2 GLU A 39 10.218 15.992 -4.573 1.00 0.00 O ATOM 0 H GLU A 39 13.113 12.824 -8.117 1.00 0.00 H new ATOM 0 HA GLU A 39 11.310 14.837 -8.702 1.00 0.00 H new ATOM 0 HB2 GLU A 39 13.420 14.324 -6.654 1.00 0.00 H new ATOM 0 HB3 GLU A 39 12.876 15.984 -6.794 1.00 0.00 H new ATOM 0 HG2 GLU A 39 10.466 14.800 -6.730 1.00 0.00 H new ATOM 0 HG3 GLU A 39 11.375 13.558 -5.893 1.00 0.00 H new ATOM 593 N PRO A 40 14.454 15.845 -9.123 1.00 0.00 N ATOM 594 CA PRO A 40 15.310 16.820 -9.804 1.00 0.00 C ATOM 595 C PRO A 40 15.367 16.589 -11.310 1.00 0.00 C ATOM 596 O PRO A 40 15.683 17.499 -12.077 1.00 0.00 O ATOM 597 CB PRO A 40 16.685 16.586 -9.175 1.00 0.00 C ATOM 598 CG PRO A 40 16.651 15.172 -8.705 1.00 0.00 C ATOM 599 CD PRO A 40 15.229 14.907 -8.294 1.00 0.00 C ATOM 0 HA PRO A 40 14.940 17.839 -9.686 1.00 0.00 H new ATOM 0 HB2 PRO A 40 17.484 16.743 -9.900 1.00 0.00 H new ATOM 0 HB3 PRO A 40 16.865 17.274 -8.349 1.00 0.00 H new ATOM 0 HG2 PRO A 40 16.962 14.490 -9.496 1.00 0.00 H new ATOM 0 HG3 PRO A 40 17.334 15.022 -7.868 1.00 0.00 H new ATOM 0 HD2 PRO A 40 14.942 13.872 -8.483 1.00 0.00 H new ATOM 0 HD3 PRO A 40 15.077 15.091 -7.230 1.00 0.00 H new ATOM 607 N LEU A 41 15.059 15.366 -11.728 1.00 0.00 N ATOM 608 CA LEU A 41 15.076 15.014 -13.144 1.00 0.00 C ATOM 609 C LEU A 41 13.659 14.927 -13.700 1.00 0.00 C ATOM 610 O LEU A 41 13.443 14.411 -14.796 1.00 0.00 O ATOM 611 CB LEU A 41 15.801 13.683 -13.350 1.00 0.00 C ATOM 612 CG LEU A 41 17.237 13.613 -12.831 1.00 0.00 C ATOM 613 CD1 LEU A 41 17.761 12.187 -12.901 1.00 0.00 C ATOM 614 CD2 LEU A 41 18.136 14.552 -13.621 1.00 0.00 C ATOM 0 H LEU A 41 14.795 14.601 -11.107 1.00 0.00 H new ATOM 0 HA LEU A 41 15.609 15.798 -13.682 1.00 0.00 H new ATOM 0 HB2 LEU A 41 15.222 12.898 -12.864 1.00 0.00 H new ATOM 0 HB3 LEU A 41 15.810 13.459 -14.417 1.00 0.00 H new ATOM 0 HG LEU A 41 17.242 13.929 -11.788 1.00 0.00 H new ATOM 0 HD11 LEU A 41 18.785 12.157 -12.527 1.00 0.00 H new ATOM 0 HD12 LEU A 41 17.133 11.538 -12.291 1.00 0.00 H new ATOM 0 HD13 LEU A 41 17.742 11.843 -13.935 1.00 0.00 H new ATOM 0 HD21 LEU A 41 19.154 14.489 -13.238 1.00 0.00 H new ATOM 0 HD22 LEU A 41 18.126 14.266 -14.673 1.00 0.00 H new ATOM 0 HD23 LEU A 41 17.773 15.575 -13.519 1.00 0.00 H new ATOM 626 N GLU A 42 12.697 15.437 -12.938 1.00 0.00 N ATOM 627 CA GLU A 42 11.300 15.416 -13.356 1.00 0.00 C ATOM 628 C GLU A 42 11.115 16.170 -14.670 1.00 0.00 C ATOM 629 O GLU A 42 10.383 15.726 -15.556 1.00 0.00 O ATOM 630 CB GLU A 42 10.411 16.032 -12.273 1.00 0.00 C ATOM 631 CG GLU A 42 10.745 17.481 -11.963 1.00 0.00 C ATOM 632 CD GLU A 42 10.163 17.944 -10.642 1.00 0.00 C ATOM 633 OE1 GLU A 42 9.579 17.106 -9.924 1.00 0.00 O ATOM 634 OE2 GLU A 42 10.292 19.146 -10.325 1.00 0.00 O ATOM 0 H GLU A 42 12.859 15.870 -12.029 1.00 0.00 H new ATOM 0 HA GLU A 42 11.008 14.377 -13.508 1.00 0.00 H new ATOM 0 HB2 GLU A 42 9.370 15.968 -12.589 1.00 0.00 H new ATOM 0 HB3 GLU A 42 10.504 15.443 -11.360 1.00 0.00 H new ATOM 0 HG2 GLU A 42 11.828 17.604 -11.942 1.00 0.00 H new ATOM 0 HG3 GLU A 42 10.368 18.116 -12.764 1.00 0.00 H new ATOM 641 N HIS A 43 11.783 17.313 -14.790 1.00 0.00 N ATOM 642 CA HIS A 43 11.692 18.129 -15.995 1.00 0.00 C ATOM 643 C HIS A 43 12.988 18.058 -16.798 1.00 0.00 C ATOM 644 O HIS A 43 13.312 18.973 -17.556 1.00 0.00 O ATOM 645 CB HIS A 43 11.383 19.581 -15.632 1.00 0.00 C ATOM 646 CG HIS A 43 10.030 19.770 -15.018 1.00 0.00 C ATOM 647 ND1 HIS A 43 9.669 20.117 -13.760 1.00 0.00 N flip ATOM 648 CD2 HIS A 43 8.855 19.596 -15.718 1.00 0.00 C flip ATOM 649 CE1 HIS A 43 8.296 20.148 -13.725 1.00 0.00 C flip ATOM 650 NE2 HIS A 43 7.830 19.830 -14.919 1.00 0.00 N flip ATOM 0 H HIS A 43 12.393 17.695 -14.067 1.00 0.00 H new ATOM 0 HA HIS A 43 10.882 17.736 -16.609 1.00 0.00 H new ATOM 0 HB2 HIS A 43 12.142 19.943 -14.938 1.00 0.00 H new ATOM 0 HB3 HIS A 43 11.454 20.194 -16.530 1.00 0.00 H new ATOM 0 HD2 HIS A 43 8.784 19.313 -16.758 1.00 0.00 H new ATOM 0 HE1 HIS A 43 7.695 20.393 -12.861 1.00 0.00 H new ATOM 0 HE2 HIS A 43 6.845 19.775 -15.180 1.00 0.00 H new ATOM 658 N PHE A 44 13.726 16.966 -16.625 1.00 0.00 N ATOM 659 CA PHE A 44 14.988 16.777 -17.332 1.00 0.00 C ATOM 660 C PHE A 44 14.779 15.975 -18.613 1.00 0.00 C ATOM 661 O PHE A 44 13.957 15.060 -18.660 1.00 0.00 O ATOM 662 CB PHE A 44 16.000 16.066 -16.430 1.00 0.00 C ATOM 663 CG PHE A 44 16.870 17.007 -15.648 1.00 0.00 C ATOM 664 CD1 PHE A 44 16.309 17.950 -14.801 1.00 0.00 C ATOM 665 CD2 PHE A 44 18.250 16.948 -15.757 1.00 0.00 C ATOM 666 CE1 PHE A 44 17.107 18.817 -14.081 1.00 0.00 C ATOM 667 CE2 PHE A 44 19.054 17.813 -15.038 1.00 0.00 C ATOM 668 CZ PHE A 44 18.482 18.748 -14.198 1.00 0.00 C ATOM 0 H PHE A 44 13.472 16.199 -16.002 1.00 0.00 H new ATOM 0 HA PHE A 44 15.377 17.759 -17.599 1.00 0.00 H new ATOM 0 HB2 PHE A 44 15.464 15.418 -15.736 1.00 0.00 H new ATOM 0 HB3 PHE A 44 16.632 15.423 -17.043 1.00 0.00 H new ATOM 0 HD1 PHE A 44 15.235 18.007 -14.703 1.00 0.00 H new ATOM 0 HD2 PHE A 44 18.703 16.218 -16.411 1.00 0.00 H new ATOM 0 HE1 PHE A 44 16.657 19.549 -13.427 1.00 0.00 H new ATOM 0 HE2 PHE A 44 20.128 17.757 -15.133 1.00 0.00 H new ATOM 0 HZ PHE A 44 19.108 19.424 -13.634 1.00 0.00 H new ATOM 678 N THR A 45 15.530 16.326 -19.653 1.00 0.00 N ATOM 679 CA THR A 45 15.427 15.642 -20.935 1.00 0.00 C ATOM 680 C THR A 45 16.655 14.778 -21.198 1.00 0.00 C ATOM 681 O THR A 45 17.770 15.135 -20.821 1.00 0.00 O ATOM 682 CB THR A 45 15.260 16.643 -22.094 1.00 0.00 C ATOM 683 OG1 THR A 45 16.179 17.731 -21.937 1.00 0.00 O ATOM 684 CG2 THR A 45 13.837 17.179 -22.146 1.00 0.00 C ATOM 0 H THR A 45 16.216 17.080 -19.632 1.00 0.00 H new ATOM 0 HA THR A 45 14.543 15.006 -20.883 1.00 0.00 H new ATOM 0 HB THR A 45 15.469 16.122 -23.028 1.00 0.00 H new ATOM 0 HG1 THR A 45 16.068 18.363 -22.678 1.00 0.00 H new ATOM 0 HG21 THR A 45 13.744 17.884 -22.972 1.00 0.00 H new ATOM 0 HG22 THR A 45 13.142 16.352 -22.294 1.00 0.00 H new ATOM 0 HG23 THR A 45 13.604 17.685 -21.209 1.00 0.00 H new ATOM 692 N GLY A 46 16.442 13.638 -21.849 1.00 0.00 N ATOM 693 CA GLY A 46 17.541 12.739 -22.150 1.00 0.00 C ATOM 694 C GLY A 46 18.839 13.478 -22.410 1.00 0.00 C ATOM 695 O GLY A 46 19.901 13.061 -21.949 1.00 0.00 O ATOM 0 H GLY A 46 15.528 13.321 -22.173 1.00 0.00 H new ATOM 0 HA2 GLY A 46 17.680 12.048 -21.318 1.00 0.00 H new ATOM 0 HA3 GLY A 46 17.287 12.139 -23.024 1.00 0.00 H new ATOM 699 N GLN A 47 18.753 14.578 -23.152 1.00 0.00 N ATOM 700 CA GLN A 47 19.931 15.375 -23.474 1.00 0.00 C ATOM 701 C GLN A 47 20.517 16.013 -22.219 1.00 0.00 C ATOM 702 O GLN A 47 21.729 15.984 -22.003 1.00 0.00 O ATOM 703 CB GLN A 47 19.577 16.459 -24.494 1.00 0.00 C ATOM 704 CG GLN A 47 20.773 17.276 -24.954 1.00 0.00 C ATOM 705 CD GLN A 47 21.524 16.620 -26.095 1.00 0.00 C ATOM 706 OE1 GLN A 47 21.064 16.619 -27.237 1.00 0.00 O ATOM 707 NE2 GLN A 47 22.688 16.057 -25.792 1.00 0.00 N ATOM 0 H GLN A 47 17.881 14.937 -23.541 1.00 0.00 H new ATOM 0 HA GLN A 47 20.680 14.711 -23.905 1.00 0.00 H new ATOM 0 HB2 GLN A 47 19.112 15.991 -25.362 1.00 0.00 H new ATOM 0 HB3 GLN A 47 18.836 17.129 -24.057 1.00 0.00 H new ATOM 0 HG2 GLN A 47 20.435 18.264 -25.267 1.00 0.00 H new ATOM 0 HG3 GLN A 47 21.452 17.423 -24.114 1.00 0.00 H new ATOM 0 HE21 GLN A 47 23.032 16.081 -24.832 1.00 0.00 H new ATOM 0 HE22 GLN A 47 23.238 15.600 -26.519 1.00 0.00 H new ATOM 716 N ASP A 48 19.649 16.590 -21.395 1.00 0.00 N ATOM 717 CA ASP A 48 20.080 17.234 -20.160 1.00 0.00 C ATOM 718 C ASP A 48 20.578 16.202 -19.153 1.00 0.00 C ATOM 719 O ASP A 48 21.528 16.452 -18.409 1.00 0.00 O ATOM 720 CB ASP A 48 18.932 18.043 -19.554 1.00 0.00 C ATOM 721 CG ASP A 48 18.723 19.369 -20.259 1.00 0.00 C ATOM 722 OD1 ASP A 48 19.700 20.137 -20.382 1.00 0.00 O ATOM 723 OD2 ASP A 48 17.582 19.638 -20.689 1.00 0.00 O ATOM 0 H ASP A 48 18.643 16.625 -21.560 1.00 0.00 H new ATOM 0 HA ASP A 48 20.903 17.908 -20.399 1.00 0.00 H new ATOM 0 HB2 ASP A 48 18.013 17.459 -19.605 1.00 0.00 H new ATOM 0 HB3 ASP A 48 19.136 18.224 -18.499 1.00 0.00 H new ATOM 728 N LEU A 49 19.931 15.042 -19.134 1.00 0.00 N ATOM 729 CA LEU A 49 20.307 13.971 -18.218 1.00 0.00 C ATOM 730 C LEU A 49 21.735 13.505 -18.483 1.00 0.00 C ATOM 731 O LEU A 49 22.537 13.374 -17.557 1.00 0.00 O ATOM 732 CB LEU A 49 19.340 12.793 -18.354 1.00 0.00 C ATOM 733 CG LEU A 49 19.779 11.484 -17.697 1.00 0.00 C ATOM 734 CD1 LEU A 49 18.571 10.699 -17.212 1.00 0.00 C ATOM 735 CD2 LEU A 49 20.605 10.651 -18.666 1.00 0.00 C ATOM 0 H LEU A 49 19.143 14.819 -19.743 1.00 0.00 H new ATOM 0 HA LEU A 49 20.254 14.360 -17.201 1.00 0.00 H new ATOM 0 HB2 LEU A 49 18.380 13.086 -17.928 1.00 0.00 H new ATOM 0 HB3 LEU A 49 19.174 12.606 -19.415 1.00 0.00 H new ATOM 0 HG LEU A 49 20.401 11.724 -16.834 1.00 0.00 H new ATOM 0 HD11 LEU A 49 18.903 9.771 -16.747 1.00 0.00 H new ATOM 0 HD12 LEU A 49 18.020 11.293 -16.483 1.00 0.00 H new ATOM 0 HD13 LEU A 49 17.923 10.470 -18.058 1.00 0.00 H new ATOM 0 HD21 LEU A 49 20.909 9.723 -18.181 1.00 0.00 H new ATOM 0 HD22 LEU A 49 20.008 10.421 -19.548 1.00 0.00 H new ATOM 0 HD23 LEU A 49 21.491 11.212 -18.964 1.00 0.00 H new ATOM 747 N ILE A 50 22.046 13.258 -19.751 1.00 0.00 N ATOM 748 CA ILE A 50 23.378 12.811 -20.137 1.00 0.00 C ATOM 749 C ILE A 50 24.412 13.909 -19.916 1.00 0.00 C ATOM 750 O ILE A 50 25.608 13.638 -19.812 1.00 0.00 O ATOM 751 CB ILE A 50 23.419 12.373 -21.613 1.00 0.00 C ATOM 752 CG1 ILE A 50 23.238 13.582 -22.532 1.00 0.00 C ATOM 753 CG2 ILE A 50 22.347 11.328 -21.885 1.00 0.00 C ATOM 754 CD1 ILE A 50 23.986 13.464 -23.841 1.00 0.00 C ATOM 0 H ILE A 50 21.393 13.360 -20.528 1.00 0.00 H new ATOM 0 HA ILE A 50 23.619 11.956 -19.506 1.00 0.00 H new ATOM 0 HB ILE A 50 24.393 11.928 -21.818 1.00 0.00 H new ATOM 0 HG12 ILE A 50 22.176 13.714 -22.740 1.00 0.00 H new ATOM 0 HG13 ILE A 50 23.574 14.478 -22.010 1.00 0.00 H new ATOM 0 HG21 ILE A 50 22.388 11.028 -22.932 1.00 0.00 H new ATOM 0 HG22 ILE A 50 22.518 10.458 -21.251 1.00 0.00 H new ATOM 0 HG23 ILE A 50 21.365 11.748 -21.667 1.00 0.00 H new ATOM 0 HD11 ILE A 50 23.812 14.357 -24.442 1.00 0.00 H new ATOM 0 HD12 ILE A 50 25.053 13.363 -23.643 1.00 0.00 H new ATOM 0 HD13 ILE A 50 23.633 12.587 -24.384 1.00 0.00 H new ATOM 766 N ASN A 51 23.942 15.151 -19.843 1.00 0.00 N ATOM 767 CA ASN A 51 24.827 16.291 -19.634 1.00 0.00 C ATOM 768 C ASN A 51 25.094 16.506 -18.147 1.00 0.00 C ATOM 769 O ASN A 51 25.555 17.572 -17.736 1.00 0.00 O ATOM 770 CB ASN A 51 24.215 17.555 -20.241 1.00 0.00 C ATOM 771 CG ASN A 51 24.405 17.624 -21.744 1.00 0.00 C ATOM 772 OD1 ASN A 51 25.256 16.934 -22.306 1.00 0.00 O ATOM 773 ND2 ASN A 51 23.611 18.460 -22.403 1.00 0.00 N ATOM 0 H ASN A 51 22.954 15.393 -19.925 1.00 0.00 H new ATOM 0 HA ASN A 51 25.775 16.080 -20.129 1.00 0.00 H new ATOM 0 HB2 ASN A 51 23.150 17.587 -20.010 1.00 0.00 H new ATOM 0 HB3 ASN A 51 24.668 18.433 -19.779 1.00 0.00 H new ATOM 0 HD21 ASN A 51 23.693 18.549 -23.416 1.00 0.00 H new ATOM 0 HD22 ASN A 51 22.919 19.013 -21.896 1.00 0.00 H new ATOM 780 N LEU A 52 24.803 15.488 -17.346 1.00 0.00 N ATOM 781 CA LEU A 52 25.013 15.564 -15.904 1.00 0.00 C ATOM 782 C LEU A 52 26.429 15.133 -15.537 1.00 0.00 C ATOM 783 O LEU A 52 26.960 14.169 -16.090 1.00 0.00 O ATOM 784 CB LEU A 52 23.994 14.687 -15.174 1.00 0.00 C ATOM 785 CG LEU A 52 22.558 15.210 -15.142 1.00 0.00 C ATOM 786 CD1 LEU A 52 21.683 14.315 -14.278 1.00 0.00 C ATOM 787 CD2 LEU A 52 22.524 16.644 -14.632 1.00 0.00 C ATOM 0 H LEU A 52 24.421 14.600 -17.670 1.00 0.00 H new ATOM 0 HA LEU A 52 24.878 16.601 -15.595 1.00 0.00 H new ATOM 0 HB2 LEU A 52 23.990 13.703 -15.642 1.00 0.00 H new ATOM 0 HB3 LEU A 52 24.332 14.550 -14.147 1.00 0.00 H new ATOM 0 HG LEU A 52 22.164 15.197 -16.158 1.00 0.00 H new ATOM 0 HD11 LEU A 52 20.664 14.703 -14.267 1.00 0.00 H new ATOM 0 HD12 LEU A 52 21.682 13.304 -14.686 1.00 0.00 H new ATOM 0 HD13 LEU A 52 22.075 14.296 -13.261 1.00 0.00 H new ATOM 0 HD21 LEU A 52 21.494 17.000 -14.616 1.00 0.00 H new ATOM 0 HD22 LEU A 52 22.937 16.682 -13.624 1.00 0.00 H new ATOM 0 HD23 LEU A 52 23.117 17.279 -15.291 1.00 0.00 H new ATOM 799 N THR A 53 27.036 15.851 -14.597 1.00 0.00 N ATOM 800 CA THR A 53 28.389 15.542 -14.153 1.00 0.00 C ATOM 801 C THR A 53 28.494 15.591 -12.633 1.00 0.00 C ATOM 802 O THR A 53 27.588 16.075 -11.955 1.00 0.00 O ATOM 803 CB THR A 53 29.415 16.518 -14.759 1.00 0.00 C ATOM 804 OG1 THR A 53 29.256 17.818 -14.181 1.00 0.00 O ATOM 805 CG2 THR A 53 29.252 16.606 -16.269 1.00 0.00 C ATOM 0 H THR A 53 26.611 16.651 -14.128 1.00 0.00 H new ATOM 0 HA THR A 53 28.612 14.532 -14.497 1.00 0.00 H new ATOM 0 HB THR A 53 30.414 16.143 -14.538 1.00 0.00 H new ATOM 0 HG1 THR A 53 28.306 18.058 -14.173 1.00 0.00 H new ATOM 0 HG21 THR A 53 29.987 17.301 -16.674 1.00 0.00 H new ATOM 0 HG22 THR A 53 29.403 15.620 -16.709 1.00 0.00 H new ATOM 0 HG23 THR A 53 28.249 16.960 -16.507 1.00 0.00 H new ATOM 813 N GLN A 54 29.606 15.089 -12.105 1.00 0.00 N ATOM 814 CA GLN A 54 29.828 15.076 -10.664 1.00 0.00 C ATOM 815 C GLN A 54 29.816 16.493 -10.099 1.00 0.00 C ATOM 816 O GLN A 54 29.497 16.701 -8.929 1.00 0.00 O ATOM 817 CB GLN A 54 31.158 14.395 -10.338 1.00 0.00 C ATOM 818 CG GLN A 54 31.342 14.095 -8.859 1.00 0.00 C ATOM 819 CD GLN A 54 32.706 13.512 -8.547 1.00 0.00 C ATOM 820 OE1 GLN A 54 33.557 14.176 -7.955 1.00 0.00 O ATOM 821 NE2 GLN A 54 32.920 12.263 -8.944 1.00 0.00 N ATOM 0 H GLN A 54 30.366 14.686 -12.653 1.00 0.00 H new ATOM 0 HA GLN A 54 29.017 14.513 -10.201 1.00 0.00 H new ATOM 0 HB2 GLN A 54 31.227 13.464 -10.900 1.00 0.00 H new ATOM 0 HB3 GLN A 54 31.975 15.033 -10.675 1.00 0.00 H new ATOM 0 HG2 GLN A 54 31.203 15.012 -8.286 1.00 0.00 H new ATOM 0 HG3 GLN A 54 30.570 13.397 -8.535 1.00 0.00 H new ATOM 0 HE21 GLN A 54 32.186 11.750 -9.432 1.00 0.00 H new ATOM 0 HE22 GLN A 54 33.819 11.817 -8.761 1.00 0.00 H new ATOM 830 N GLU A 55 30.167 17.462 -10.938 1.00 0.00 N ATOM 831 CA GLU A 55 30.196 18.859 -10.521 1.00 0.00 C ATOM 832 C GLU A 55 28.783 19.424 -10.412 1.00 0.00 C ATOM 833 O GLU A 55 28.578 20.511 -9.871 1.00 0.00 O ATOM 834 CB GLU A 55 31.016 19.693 -11.509 1.00 0.00 C ATOM 835 CG GLU A 55 32.261 18.985 -12.016 1.00 0.00 C ATOM 836 CD GLU A 55 33.214 19.922 -12.732 1.00 0.00 C ATOM 837 OE1 GLU A 55 33.783 20.812 -12.066 1.00 0.00 O ATOM 838 OE2 GLU A 55 33.390 19.766 -13.958 1.00 0.00 O ATOM 0 H GLU A 55 30.435 17.306 -11.910 1.00 0.00 H new ATOM 0 HA GLU A 55 30.665 18.908 -9.538 1.00 0.00 H new ATOM 0 HB2 GLU A 55 30.387 19.957 -12.359 1.00 0.00 H new ATOM 0 HB3 GLU A 55 31.309 20.626 -11.028 1.00 0.00 H new ATOM 0 HG2 GLU A 55 32.777 18.520 -11.176 1.00 0.00 H new ATOM 0 HG3 GLU A 55 31.968 18.183 -12.694 1.00 0.00 H new ATOM 845 N ASP A 56 27.813 18.679 -10.929 1.00 0.00 N ATOM 846 CA ASP A 56 26.418 19.104 -10.890 1.00 0.00 C ATOM 847 C ASP A 56 25.743 18.633 -9.606 1.00 0.00 C ATOM 848 O ASP A 56 24.645 19.077 -9.271 1.00 0.00 O ATOM 849 CB ASP A 56 25.664 18.564 -12.106 1.00 0.00 C ATOM 850 CG ASP A 56 25.875 19.415 -13.343 1.00 0.00 C ATOM 851 OD1 ASP A 56 27.008 19.897 -13.544 1.00 0.00 O ATOM 852 OD2 ASP A 56 24.905 19.599 -14.109 1.00 0.00 O ATOM 0 H ASP A 56 27.966 17.777 -11.380 1.00 0.00 H new ATOM 0 HA ASP A 56 26.394 20.194 -10.913 1.00 0.00 H new ATOM 0 HB2 ASP A 56 25.992 17.545 -12.310 1.00 0.00 H new ATOM 0 HB3 ASP A 56 24.599 18.517 -11.878 1.00 0.00 H new ATOM 857 N PHE A 57 26.406 17.730 -8.891 1.00 0.00 N ATOM 858 CA PHE A 57 25.869 17.197 -7.644 1.00 0.00 C ATOM 859 C PHE A 57 26.218 18.107 -6.470 1.00 0.00 C ATOM 860 O PHE A 57 25.382 18.371 -5.605 1.00 0.00 O ATOM 861 CB PHE A 57 26.410 15.789 -7.392 1.00 0.00 C ATOM 862 CG PHE A 57 25.769 14.737 -8.251 1.00 0.00 C ATOM 863 CD1 PHE A 57 26.133 14.592 -9.580 1.00 0.00 C ATOM 864 CD2 PHE A 57 24.802 13.892 -7.729 1.00 0.00 C ATOM 865 CE1 PHE A 57 25.544 13.625 -10.372 1.00 0.00 C ATOM 866 CE2 PHE A 57 24.210 12.923 -8.517 1.00 0.00 C ATOM 867 CZ PHE A 57 24.582 12.789 -9.840 1.00 0.00 C ATOM 0 H PHE A 57 27.316 17.352 -9.154 1.00 0.00 H new ATOM 0 HA PHE A 57 24.784 17.150 -7.734 1.00 0.00 H new ATOM 0 HB2 PHE A 57 27.486 15.785 -7.569 1.00 0.00 H new ATOM 0 HB3 PHE A 57 26.258 15.533 -6.344 1.00 0.00 H new ATOM 0 HD1 PHE A 57 26.885 15.242 -10.002 1.00 0.00 H new ATOM 0 HD2 PHE A 57 24.508 13.992 -6.695 1.00 0.00 H new ATOM 0 HE1 PHE A 57 25.836 13.523 -11.407 1.00 0.00 H new ATOM 0 HE2 PHE A 57 23.457 12.271 -8.098 1.00 0.00 H new ATOM 0 HZ PHE A 57 24.122 12.032 -10.458 1.00 0.00 H new ATOM 877 N LYS A 58 27.458 18.582 -6.446 1.00 0.00 N ATOM 878 CA LYS A 58 27.920 19.463 -5.379 1.00 0.00 C ATOM 879 C LYS A 58 26.991 20.663 -5.224 1.00 0.00 C ATOM 880 O LYS A 58 27.035 21.369 -4.217 1.00 0.00 O ATOM 881 CB LYS A 58 29.345 19.941 -5.666 1.00 0.00 C ATOM 882 CG LYS A 58 29.665 20.047 -7.147 1.00 0.00 C ATOM 883 CD LYS A 58 30.720 21.107 -7.415 1.00 0.00 C ATOM 884 CE LYS A 58 32.098 20.648 -6.964 1.00 0.00 C ATOM 885 NZ LYS A 58 32.827 19.933 -8.049 1.00 0.00 N ATOM 0 H LYS A 58 28.162 18.372 -7.153 1.00 0.00 H new ATOM 0 HA LYS A 58 27.914 18.898 -4.447 1.00 0.00 H new ATOM 0 HB2 LYS A 58 29.493 20.915 -5.200 1.00 0.00 H new ATOM 0 HB3 LYS A 58 30.051 19.254 -5.199 1.00 0.00 H new ATOM 0 HG2 LYS A 58 30.016 19.082 -7.514 1.00 0.00 H new ATOM 0 HG3 LYS A 58 28.757 20.288 -7.700 1.00 0.00 H new ATOM 0 HD2 LYS A 58 30.743 21.338 -8.480 1.00 0.00 H new ATOM 0 HD3 LYS A 58 30.453 22.027 -6.895 1.00 0.00 H new ATOM 0 HE2 LYS A 58 32.681 21.511 -6.642 1.00 0.00 H new ATOM 0 HE3 LYS A 58 31.997 19.991 -6.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 33.816 19.786 -7.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 32.376 19.012 -8.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 32.798 20.501 -8.919 1.00 0.00 H new ATOM 899 N LYS A 59 26.149 20.887 -6.227 1.00 0.00 N ATOM 900 CA LYS A 59 25.207 22.000 -6.202 1.00 0.00 C ATOM 901 C LYS A 59 23.809 21.538 -6.603 1.00 0.00 C ATOM 902 O LYS A 59 23.626 20.472 -7.191 1.00 0.00 O ATOM 903 CB LYS A 59 25.676 23.114 -7.141 1.00 0.00 C ATOM 904 CG LYS A 59 26.544 22.619 -8.285 1.00 0.00 C ATOM 905 CD LYS A 59 26.786 23.711 -9.314 1.00 0.00 C ATOM 906 CE LYS A 59 27.015 23.130 -10.700 1.00 0.00 C ATOM 907 NZ LYS A 59 26.924 24.171 -11.761 1.00 0.00 N ATOM 0 H LYS A 59 26.100 20.312 -7.068 1.00 0.00 H new ATOM 0 HA LYS A 59 25.166 22.386 -5.183 1.00 0.00 H new ATOM 0 HB2 LYS A 59 24.804 23.623 -7.551 1.00 0.00 H new ATOM 0 HB3 LYS A 59 26.234 23.852 -6.565 1.00 0.00 H new ATOM 0 HG2 LYS A 59 27.499 22.269 -7.893 1.00 0.00 H new ATOM 0 HG3 LYS A 59 26.064 21.766 -8.764 1.00 0.00 H new ATOM 0 HD2 LYS A 59 25.930 24.386 -9.338 1.00 0.00 H new ATOM 0 HD3 LYS A 59 27.652 24.304 -9.020 1.00 0.00 H new ATOM 0 HE2 LYS A 59 27.997 22.658 -10.738 1.00 0.00 H new ATOM 0 HE3 LYS A 59 26.279 22.350 -10.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 27.086 23.734 -12.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 25.979 24.604 -11.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 27.644 24.903 -11.592 1.00 0.00 H new ATOM 921 N PRO A 60 22.799 22.359 -6.280 1.00 0.00 N ATOM 922 CA PRO A 60 21.400 22.057 -6.598 1.00 0.00 C ATOM 923 C PRO A 60 21.117 22.137 -8.094 1.00 0.00 C ATOM 924 O PRO A 60 21.879 22.720 -8.865 1.00 0.00 O ATOM 925 CB PRO A 60 20.623 23.141 -5.848 1.00 0.00 C ATOM 926 CG PRO A 60 21.584 24.272 -5.714 1.00 0.00 C ATOM 927 CD PRO A 60 22.944 23.646 -5.579 1.00 0.00 C ATOM 0 HA PRO A 60 21.126 21.042 -6.310 1.00 0.00 H new ATOM 0 HB2 PRO A 60 19.732 23.442 -6.399 1.00 0.00 H new ATOM 0 HB3 PRO A 60 20.290 22.786 -4.872 1.00 0.00 H new ATOM 0 HG2 PRO A 60 21.540 24.926 -6.585 1.00 0.00 H new ATOM 0 HG3 PRO A 60 21.348 24.884 -4.843 1.00 0.00 H new ATOM 0 HD2 PRO A 60 23.718 24.265 -6.032 1.00 0.00 H new ATOM 0 HD3 PRO A 60 23.220 23.505 -4.534 1.00 0.00 H new ATOM 935 N PRO A 61 19.993 21.538 -8.517 1.00 0.00 N ATOM 936 CA PRO A 61 19.078 20.840 -7.609 1.00 0.00 C ATOM 937 C PRO A 61 19.677 19.549 -7.063 1.00 0.00 C ATOM 938 O PRO A 61 19.526 19.233 -5.882 1.00 0.00 O ATOM 939 CB PRO A 61 17.866 20.536 -8.493 1.00 0.00 C ATOM 940 CG PRO A 61 18.408 20.496 -9.880 1.00 0.00 C ATOM 941 CD PRO A 61 19.530 21.497 -9.914 1.00 0.00 C ATOM 0 HA PRO A 61 18.842 21.438 -6.729 1.00 0.00 H new ATOM 0 HB2 PRO A 61 17.406 19.586 -8.220 1.00 0.00 H new ATOM 0 HB3 PRO A 61 17.099 21.303 -8.390 1.00 0.00 H new ATOM 0 HG2 PRO A 61 18.768 19.498 -10.130 1.00 0.00 H new ATOM 0 HG3 PRO A 61 17.637 20.749 -10.608 1.00 0.00 H new ATOM 0 HD2 PRO A 61 20.325 21.187 -10.592 1.00 0.00 H new ATOM 0 HD3 PRO A 61 19.186 22.475 -10.252 1.00 0.00 H new ATOM 949 N LEU A 62 20.358 18.805 -7.929 1.00 0.00 N ATOM 950 CA LEU A 62 20.982 17.548 -7.532 1.00 0.00 C ATOM 951 C LEU A 62 22.005 17.773 -6.424 1.00 0.00 C ATOM 952 O LEU A 62 23.132 18.195 -6.682 1.00 0.00 O ATOM 953 CB LEU A 62 21.655 16.888 -8.737 1.00 0.00 C ATOM 954 CG LEU A 62 20.767 16.661 -9.961 1.00 0.00 C ATOM 955 CD1 LEU A 62 21.594 16.713 -11.237 1.00 0.00 C ATOM 956 CD2 LEU A 62 20.036 15.332 -9.851 1.00 0.00 C ATOM 0 H LEU A 62 20.492 19.051 -8.910 1.00 0.00 H new ATOM 0 HA LEU A 62 20.202 16.888 -7.152 1.00 0.00 H new ATOM 0 HB2 LEU A 62 22.502 17.504 -9.037 1.00 0.00 H new ATOM 0 HB3 LEU A 62 22.057 15.925 -8.421 1.00 0.00 H new ATOM 0 HG LEU A 62 20.025 17.458 -10.000 1.00 0.00 H new ATOM 0 HD11 LEU A 62 20.946 16.549 -12.098 1.00 0.00 H new ATOM 0 HD12 LEU A 62 22.071 17.690 -11.322 1.00 0.00 H new ATOM 0 HD13 LEU A 62 22.359 15.937 -11.207 1.00 0.00 H new ATOM 0 HD21 LEU A 62 19.409 15.188 -10.731 1.00 0.00 H new ATOM 0 HD22 LEU A 62 20.762 14.522 -9.786 1.00 0.00 H new ATOM 0 HD23 LEU A 62 19.412 15.333 -8.957 1.00 0.00 H new ATOM 968 N TYR A 63 21.605 17.487 -5.190 1.00 0.00 N ATOM 969 CA TYR A 63 22.487 17.658 -4.041 1.00 0.00 C ATOM 970 C TYR A 63 22.154 16.652 -2.944 1.00 0.00 C ATOM 971 O TYR A 63 20.988 16.331 -2.713 1.00 0.00 O ATOM 972 CB TYR A 63 22.375 19.082 -3.494 1.00 0.00 C ATOM 973 CG TYR A 63 23.361 19.384 -2.388 1.00 0.00 C ATOM 974 CD1 TYR A 63 24.716 19.121 -2.548 1.00 0.00 C ATOM 975 CD2 TYR A 63 22.938 19.933 -1.184 1.00 0.00 C ATOM 976 CE1 TYR A 63 25.621 19.395 -1.540 1.00 0.00 C ATOM 977 CE2 TYR A 63 23.836 20.212 -0.171 1.00 0.00 C ATOM 978 CZ TYR A 63 25.176 19.941 -0.354 1.00 0.00 C ATOM 979 OH TYR A 63 26.073 20.215 0.652 1.00 0.00 O ATOM 0 H TYR A 63 20.676 17.136 -4.959 1.00 0.00 H new ATOM 0 HA TYR A 63 23.511 17.482 -4.371 1.00 0.00 H new ATOM 0 HB2 TYR A 63 22.529 19.789 -4.309 1.00 0.00 H new ATOM 0 HB3 TYR A 63 21.363 19.241 -3.121 1.00 0.00 H new ATOM 0 HD1 TYR A 63 25.068 18.695 -3.476 1.00 0.00 H new ATOM 0 HD2 TYR A 63 21.889 20.145 -1.037 1.00 0.00 H new ATOM 0 HE1 TYR A 63 26.671 19.183 -1.680 1.00 0.00 H new ATOM 0 HE2 TYR A 63 23.490 20.640 0.759 1.00 0.00 H new ATOM 0 HH TYR A 63 25.598 20.597 1.419 1.00 0.00 H new ATOM 989 N ARG A 64 23.188 16.157 -2.271 1.00 0.00 N ATOM 990 CA ARG A 64 23.007 15.185 -1.199 1.00 0.00 C ATOM 991 C ARG A 64 21.895 14.198 -1.542 1.00 0.00 C ATOM 992 O ARG A 64 21.233 13.661 -0.654 1.00 0.00 O ATOM 993 CB ARG A 64 22.684 15.898 0.115 1.00 0.00 C ATOM 994 CG ARG A 64 23.600 17.074 0.411 1.00 0.00 C ATOM 995 CD ARG A 64 23.246 17.738 1.733 1.00 0.00 C ATOM 996 NE ARG A 64 23.972 17.147 2.854 1.00 0.00 N ATOM 997 CZ ARG A 64 23.711 17.423 4.127 1.00 0.00 C ATOM 998 NH1 ARG A 64 22.746 18.278 4.438 1.00 0.00 N ATOM 999 NH2 ARG A 64 24.415 16.845 5.091 1.00 0.00 N ATOM 0 H ARG A 64 24.159 16.413 -2.449 1.00 0.00 H new ATOM 0 HA ARG A 64 23.938 14.630 -1.084 1.00 0.00 H new ATOM 0 HB2 ARG A 64 21.653 16.250 0.083 1.00 0.00 H new ATOM 0 HB3 ARG A 64 22.751 15.181 0.933 1.00 0.00 H new ATOM 0 HG2 ARG A 64 24.635 16.732 0.440 1.00 0.00 H new ATOM 0 HG3 ARG A 64 23.528 17.804 -0.395 1.00 0.00 H new ATOM 0 HD2 ARG A 64 23.472 18.803 1.676 1.00 0.00 H new ATOM 0 HD3 ARG A 64 22.174 17.649 1.908 1.00 0.00 H new ATOM 0 HE ARG A 64 24.721 16.486 2.648 1.00 0.00 H new ATOM 0 HH11 ARG A 64 22.203 18.725 3.699 1.00 0.00 H new ATOM 0 HH12 ARG A 64 22.547 18.489 5.416 1.00 0.00 H new ATOM 0 HH21 ARG A 64 25.158 16.187 4.856 1.00 0.00 H new ATOM 0 HH22 ARG A 64 24.213 17.058 6.068 1.00 0.00 H new ATOM 1013 N VAL A 65 21.695 13.965 -2.835 1.00 0.00 N ATOM 1014 CA VAL A 65 20.664 13.042 -3.295 1.00 0.00 C ATOM 1015 C VAL A 65 21.006 11.605 -2.919 1.00 0.00 C ATOM 1016 O VAL A 65 20.154 10.859 -2.437 1.00 0.00 O ATOM 1017 CB VAL A 65 20.473 13.131 -4.821 1.00 0.00 C ATOM 1018 CG1 VAL A 65 19.432 12.124 -5.287 1.00 0.00 C ATOM 1019 CG2 VAL A 65 20.080 14.543 -5.227 1.00 0.00 C ATOM 0 H VAL A 65 22.233 14.403 -3.583 1.00 0.00 H new ATOM 0 HA VAL A 65 19.736 13.332 -2.802 1.00 0.00 H new ATOM 0 HB VAL A 65 21.420 12.889 -5.304 1.00 0.00 H new ATOM 0 HG11 VAL A 65 19.310 12.201 -6.367 1.00 0.00 H new ATOM 0 HG12 VAL A 65 19.759 11.117 -5.029 1.00 0.00 H new ATOM 0 HG13 VAL A 65 18.480 12.332 -4.798 1.00 0.00 H new ATOM 0 HG21 VAL A 65 19.949 14.588 -6.308 1.00 0.00 H new ATOM 0 HG22 VAL A 65 19.145 14.816 -4.737 1.00 0.00 H new ATOM 0 HG23 VAL A 65 20.863 15.239 -4.927 1.00 0.00 H new ATOM 1029 N SER A 66 22.260 11.223 -3.142 1.00 0.00 N ATOM 1030 CA SER A 66 22.714 9.873 -2.830 1.00 0.00 C ATOM 1031 C SER A 66 23.838 9.904 -1.798 1.00 0.00 C ATOM 1032 O SER A 66 24.384 10.963 -1.490 1.00 0.00 O ATOM 1033 CB SER A 66 23.192 9.167 -4.100 1.00 0.00 C ATOM 1034 OG SER A 66 23.822 7.935 -3.792 1.00 0.00 O ATOM 0 H SER A 66 22.979 11.829 -3.537 1.00 0.00 H new ATOM 0 HA SER A 66 21.873 9.321 -2.410 1.00 0.00 H new ATOM 0 HB2 SER A 66 22.345 8.990 -4.762 1.00 0.00 H new ATOM 0 HB3 SER A 66 23.888 9.811 -4.638 1.00 0.00 H new ATOM 0 HG SER A 66 24.117 7.502 -4.620 1.00 0.00 H new ATOM 1040 N SER A 67 24.177 8.733 -1.267 1.00 0.00 N ATOM 1041 CA SER A 67 25.233 8.625 -0.267 1.00 0.00 C ATOM 1042 C SER A 67 26.541 8.169 -0.906 1.00 0.00 C ATOM 1043 O SER A 67 27.583 8.126 -0.252 1.00 0.00 O ATOM 1044 CB SER A 67 24.822 7.646 0.835 1.00 0.00 C ATOM 1045 OG SER A 67 25.048 6.305 0.436 1.00 0.00 O ATOM 0 H SER A 67 23.736 7.847 -1.512 1.00 0.00 H new ATOM 0 HA SER A 67 25.387 9.611 0.171 1.00 0.00 H new ATOM 0 HB2 SER A 67 25.386 7.858 1.743 1.00 0.00 H new ATOM 0 HB3 SER A 67 23.768 7.785 1.074 1.00 0.00 H new ATOM 0 HG SER A 67 24.779 5.699 1.158 1.00 0.00 H new ATOM 1051 N ASP A 68 26.478 7.828 -2.189 1.00 0.00 N ATOM 1052 CA ASP A 68 27.657 7.376 -2.919 1.00 0.00 C ATOM 1053 C ASP A 68 28.267 8.518 -3.727 1.00 0.00 C ATOM 1054 O ASP A 68 28.933 8.290 -4.736 1.00 0.00 O ATOM 1055 CB ASP A 68 27.295 6.215 -3.846 1.00 0.00 C ATOM 1056 CG ASP A 68 27.210 4.892 -3.110 1.00 0.00 C ATOM 1057 OD1 ASP A 68 28.216 4.496 -2.485 1.00 0.00 O ATOM 1058 OD2 ASP A 68 26.139 4.253 -3.160 1.00 0.00 O ATOM 0 H ASP A 68 25.623 7.856 -2.745 1.00 0.00 H new ATOM 0 HA ASP A 68 28.395 7.034 -2.193 1.00 0.00 H new ATOM 0 HB2 ASP A 68 26.339 6.422 -4.327 1.00 0.00 H new ATOM 0 HB3 ASP A 68 28.040 6.140 -4.638 1.00 0.00 H new ATOM 1063 N ASN A 69 28.032 9.746 -3.277 1.00 0.00 N ATOM 1064 CA ASN A 69 28.556 10.923 -3.960 1.00 0.00 C ATOM 1065 C ASN A 69 27.982 11.034 -5.369 1.00 0.00 C ATOM 1066 O ASN A 69 28.682 11.410 -6.308 1.00 0.00 O ATOM 1067 CB ASN A 69 30.083 10.866 -4.022 1.00 0.00 C ATOM 1068 CG ASN A 69 30.713 12.245 -4.051 1.00 0.00 C ATOM 1069 OD1 ASN A 69 30.139 13.190 -4.591 1.00 0.00 O ATOM 1070 ND2 ASN A 69 31.900 12.365 -3.468 1.00 0.00 N ATOM 0 H ASN A 69 27.482 9.952 -2.443 1.00 0.00 H new ATOM 0 HA ASN A 69 28.256 11.805 -3.394 1.00 0.00 H new ATOM 0 HB2 ASN A 69 30.459 10.316 -3.159 1.00 0.00 H new ATOM 0 HB3 ASN A 69 30.387 10.312 -4.910 1.00 0.00 H new ATOM 0 HD21 ASN A 69 32.373 13.269 -3.456 1.00 0.00 H new ATOM 0 HD22 ASN A 69 32.339 11.554 -3.032 1.00 0.00 H new ATOM 1077 N GLY A 70 26.701 10.705 -5.509 1.00 0.00 N ATOM 1078 CA GLY A 70 26.054 10.775 -6.806 1.00 0.00 C ATOM 1079 C GLY A 70 26.745 9.915 -7.845 1.00 0.00 C ATOM 1080 O GLY A 70 26.447 10.010 -9.036 1.00 0.00 O ATOM 0 H GLY A 70 26.100 10.391 -4.747 1.00 0.00 H new ATOM 0 HA2 GLY A 70 25.016 10.458 -6.708 1.00 0.00 H new ATOM 0 HA3 GLY A 70 26.040 11.810 -7.146 1.00 0.00 H new ATOM 1084 N GLN A 71 27.671 9.075 -7.395 1.00 0.00 N ATOM 1085 CA GLN A 71 28.408 8.197 -8.297 1.00 0.00 C ATOM 1086 C GLN A 71 27.462 7.253 -9.032 1.00 0.00 C ATOM 1087 O GLN A 71 27.515 7.135 -10.256 1.00 0.00 O ATOM 1088 CB GLN A 71 29.450 7.391 -7.519 1.00 0.00 C ATOM 1089 CG GLN A 71 30.152 6.335 -8.357 1.00 0.00 C ATOM 1090 CD GLN A 71 31.392 6.869 -9.049 1.00 0.00 C ATOM 1091 OE1 GLN A 71 32.517 6.571 -8.648 1.00 0.00 O ATOM 1092 NE2 GLN A 71 31.191 7.663 -10.094 1.00 0.00 N ATOM 0 H GLN A 71 27.929 8.984 -6.412 1.00 0.00 H new ATOM 0 HA GLN A 71 28.916 8.819 -9.034 1.00 0.00 H new ATOM 0 HB2 GLN A 71 30.195 8.074 -7.111 1.00 0.00 H new ATOM 0 HB3 GLN A 71 28.964 6.907 -6.672 1.00 0.00 H new ATOM 0 HG2 GLN A 71 30.429 5.496 -7.719 1.00 0.00 H new ATOM 0 HG3 GLN A 71 29.459 5.951 -9.106 1.00 0.00 H new ATOM 0 HE21 GLN A 71 30.241 7.883 -10.392 1.00 0.00 H new ATOM 0 HE22 GLN A 71 31.987 8.052 -10.599 1.00 0.00 H new ATOM 1101 N ARG A 72 26.598 6.583 -8.277 1.00 0.00 N ATOM 1102 CA ARG A 72 25.642 5.647 -8.856 1.00 0.00 C ATOM 1103 C ARG A 72 25.056 6.202 -10.151 1.00 0.00 C ATOM 1104 O ARG A 72 25.291 5.662 -11.233 1.00 0.00 O ATOM 1105 CB ARG A 72 24.518 5.351 -7.861 1.00 0.00 C ATOM 1106 CG ARG A 72 23.463 4.399 -8.400 1.00 0.00 C ATOM 1107 CD ARG A 72 22.838 3.573 -7.287 1.00 0.00 C ATOM 1108 NE ARG A 72 23.828 2.757 -6.589 1.00 0.00 N ATOM 1109 CZ ARG A 72 23.513 1.812 -5.710 1.00 0.00 C ATOM 1110 NH1 ARG A 72 22.243 1.565 -5.423 1.00 0.00 N ATOM 1111 NH2 ARG A 72 24.471 1.111 -5.116 1.00 0.00 N ATOM 0 H ARG A 72 26.540 6.671 -7.262 1.00 0.00 H new ATOM 0 HA ARG A 72 26.170 4.721 -9.083 1.00 0.00 H new ATOM 0 HB2 ARG A 72 24.949 4.926 -6.954 1.00 0.00 H new ATOM 0 HB3 ARG A 72 24.039 6.288 -7.578 1.00 0.00 H new ATOM 0 HG2 ARG A 72 22.687 4.967 -8.913 1.00 0.00 H new ATOM 0 HG3 ARG A 72 23.913 3.735 -9.138 1.00 0.00 H new ATOM 0 HD2 ARG A 72 22.348 4.237 -6.575 1.00 0.00 H new ATOM 0 HD3 ARG A 72 22.066 2.927 -7.705 1.00 0.00 H new ATOM 0 HE ARG A 72 24.815 2.922 -6.787 1.00 0.00 H new ATOM 0 HH11 ARG A 72 21.504 2.101 -5.877 1.00 0.00 H new ATOM 0 HH12 ARG A 72 22.005 0.839 -4.748 1.00 0.00 H new ATOM 0 HH21 ARG A 72 25.450 1.298 -5.334 1.00 0.00 H new ATOM 0 HH22 ARG A 72 24.228 0.386 -4.441 1.00 0.00 H new ATOM 1125 N LEU A 73 24.291 7.282 -10.034 1.00 0.00 N ATOM 1126 CA LEU A 73 23.669 7.909 -11.195 1.00 0.00 C ATOM 1127 C LEU A 73 24.679 8.086 -12.324 1.00 0.00 C ATOM 1128 O LEU A 73 24.445 7.655 -13.455 1.00 0.00 O ATOM 1129 CB LEU A 73 23.074 9.264 -10.810 1.00 0.00 C ATOM 1130 CG LEU A 73 22.460 10.076 -11.951 1.00 0.00 C ATOM 1131 CD1 LEU A 73 21.515 9.212 -12.772 1.00 0.00 C ATOM 1132 CD2 LEU A 73 21.732 11.296 -11.405 1.00 0.00 C ATOM 0 H LEU A 73 24.087 7.742 -9.147 1.00 0.00 H new ATOM 0 HA LEU A 73 22.870 7.256 -11.546 1.00 0.00 H new ATOM 0 HB2 LEU A 73 22.306 9.100 -10.054 1.00 0.00 H new ATOM 0 HB3 LEU A 73 23.857 9.863 -10.345 1.00 0.00 H new ATOM 0 HG LEU A 73 23.264 10.419 -12.602 1.00 0.00 H new ATOM 0 HD11 LEU A 73 21.087 9.806 -13.579 1.00 0.00 H new ATOM 0 HD12 LEU A 73 22.065 8.370 -13.193 1.00 0.00 H new ATOM 0 HD13 LEU A 73 20.715 8.839 -12.133 1.00 0.00 H new ATOM 0 HD21 LEU A 73 21.301 11.862 -12.231 1.00 0.00 H new ATOM 0 HD22 LEU A 73 20.937 10.974 -10.732 1.00 0.00 H new ATOM 0 HD23 LEU A 73 22.435 11.926 -10.861 1.00 0.00 H new ATOM 1144 N LEU A 74 25.803 8.721 -12.011 1.00 0.00 N ATOM 1145 CA LEU A 74 26.851 8.954 -12.999 1.00 0.00 C ATOM 1146 C LEU A 74 27.156 7.680 -13.781 1.00 0.00 C ATOM 1147 O LEU A 74 27.056 7.653 -15.008 1.00 0.00 O ATOM 1148 CB LEU A 74 28.121 9.463 -12.315 1.00 0.00 C ATOM 1149 CG LEU A 74 28.022 10.838 -11.655 1.00 0.00 C ATOM 1150 CD1 LEU A 74 29.255 11.113 -10.808 1.00 0.00 C ATOM 1151 CD2 LEU A 74 27.843 11.923 -12.707 1.00 0.00 C ATOM 0 H LEU A 74 26.012 9.084 -11.081 1.00 0.00 H new ATOM 0 HA LEU A 74 26.495 9.711 -13.698 1.00 0.00 H new ATOM 0 HB2 LEU A 74 28.416 8.738 -11.556 1.00 0.00 H new ATOM 0 HB3 LEU A 74 28.921 9.494 -13.055 1.00 0.00 H new ATOM 0 HG LEU A 74 27.149 10.845 -11.003 1.00 0.00 H new ATOM 0 HD11 LEU A 74 29.167 12.096 -10.346 1.00 0.00 H new ATOM 0 HD12 LEU A 74 29.340 10.353 -10.031 1.00 0.00 H new ATOM 0 HD13 LEU A 74 30.143 11.087 -11.439 1.00 0.00 H new ATOM 0 HD21 LEU A 74 27.774 12.895 -12.219 1.00 0.00 H new ATOM 0 HD22 LEU A 74 28.696 11.917 -13.385 1.00 0.00 H new ATOM 0 HD23 LEU A 74 26.930 11.735 -13.272 1.00 0.00 H new ATOM 1163 N ASP A 75 27.526 6.626 -13.062 1.00 0.00 N ATOM 1164 CA ASP A 75 27.842 5.347 -13.687 1.00 0.00 C ATOM 1165 C ASP A 75 26.668 4.847 -14.524 1.00 0.00 C ATOM 1166 O ASP A 75 26.855 4.129 -15.506 1.00 0.00 O ATOM 1167 CB ASP A 75 28.203 4.310 -12.623 1.00 0.00 C ATOM 1168 CG ASP A 75 29.694 4.254 -12.352 1.00 0.00 C ATOM 1169 OD1 ASP A 75 30.439 3.778 -13.234 1.00 0.00 O ATOM 1170 OD2 ASP A 75 30.116 4.684 -11.258 1.00 0.00 O ATOM 0 H ASP A 75 27.614 6.632 -12.046 1.00 0.00 H new ATOM 0 HA ASP A 75 28.699 5.494 -14.345 1.00 0.00 H new ATOM 0 HB2 ASP A 75 27.677 4.545 -11.698 1.00 0.00 H new ATOM 0 HB3 ASP A 75 27.858 3.328 -12.945 1.00 0.00 H new ATOM 1175 N MET A 76 25.459 5.231 -14.128 1.00 0.00 N ATOM 1176 CA MET A 76 24.256 4.821 -14.842 1.00 0.00 C ATOM 1177 C MET A 76 24.081 5.632 -16.122 1.00 0.00 C ATOM 1178 O MET A 76 23.502 5.152 -17.098 1.00 0.00 O ATOM 1179 CB MET A 76 23.025 4.987 -13.948 1.00 0.00 C ATOM 1180 CG MET A 76 22.861 3.872 -12.928 1.00 0.00 C ATOM 1181 SD MET A 76 22.834 2.236 -13.685 1.00 0.00 S ATOM 1182 CE MET A 76 21.544 2.450 -14.909 1.00 0.00 C ATOM 0 H MET A 76 25.287 5.825 -13.317 1.00 0.00 H new ATOM 0 HA MET A 76 24.363 3.770 -15.110 1.00 0.00 H new ATOM 0 HB2 MET A 76 23.092 5.941 -13.424 1.00 0.00 H new ATOM 0 HB3 MET A 76 22.134 5.029 -14.574 1.00 0.00 H new ATOM 0 HG2 MET A 76 23.677 3.921 -12.207 1.00 0.00 H new ATOM 0 HG3 MET A 76 21.936 4.026 -12.373 1.00 0.00 H new ATOM 0 HE1 MET A 76 20.972 1.526 -15.000 1.00 0.00 H new ATOM 0 HE2 MET A 76 20.881 3.258 -14.601 1.00 0.00 H new ATOM 0 HE3 MET A 76 21.993 2.696 -15.871 1.00 0.00 H new ATOM 1192 N ILE A 77 24.584 6.861 -16.112 1.00 0.00 N ATOM 1193 CA ILE A 77 24.484 7.737 -17.273 1.00 0.00 C ATOM 1194 C ILE A 77 25.647 7.512 -18.234 1.00 0.00 C ATOM 1195 O ILE A 77 25.488 7.608 -19.450 1.00 0.00 O ATOM 1196 CB ILE A 77 24.455 9.220 -16.859 1.00 0.00 C ATOM 1197 CG1 ILE A 77 23.335 9.467 -15.846 1.00 0.00 C ATOM 1198 CG2 ILE A 77 24.275 10.108 -18.082 1.00 0.00 C ATOM 1199 CD1 ILE A 77 23.390 10.837 -15.207 1.00 0.00 C ATOM 0 H ILE A 77 25.065 7.273 -15.313 1.00 0.00 H new ATOM 0 HA ILE A 77 23.548 7.490 -17.774 1.00 0.00 H new ATOM 0 HB ILE A 77 25.406 9.470 -16.389 1.00 0.00 H new ATOM 0 HG12 ILE A 77 22.373 9.345 -16.343 1.00 0.00 H new ATOM 0 HG13 ILE A 77 23.388 8.708 -15.065 1.00 0.00 H new ATOM 0 HG21 ILE A 77 24.256 11.153 -17.773 1.00 0.00 H new ATOM 0 HG22 ILE A 77 25.103 9.948 -18.773 1.00 0.00 H new ATOM 0 HG23 ILE A 77 23.336 9.859 -18.577 1.00 0.00 H new ATOM 0 HD11 ILE A 77 22.567 10.942 -14.500 1.00 0.00 H new ATOM 0 HD12 ILE A 77 24.337 10.955 -14.681 1.00 0.00 H new ATOM 0 HD13 ILE A 77 23.306 11.602 -15.979 1.00 0.00 H new ATOM 1211 N GLU A 78 26.817 7.210 -17.678 1.00 0.00 N ATOM 1212 CA GLU A 78 28.006 6.969 -18.486 1.00 0.00 C ATOM 1213 C GLU A 78 27.707 5.985 -19.614 1.00 0.00 C ATOM 1214 O GLU A 78 28.257 6.093 -20.710 1.00 0.00 O ATOM 1215 CB GLU A 78 29.142 6.432 -17.613 1.00 0.00 C ATOM 1216 CG GLU A 78 30.525 6.831 -18.101 1.00 0.00 C ATOM 1217 CD GLU A 78 31.602 5.857 -17.663 1.00 0.00 C ATOM 1218 OE1 GLU A 78 31.680 4.757 -18.248 1.00 0.00 O ATOM 1219 OE2 GLU A 78 32.366 6.195 -16.734 1.00 0.00 O ATOM 0 H GLU A 78 26.966 7.127 -16.672 1.00 0.00 H new ATOM 0 HA GLU A 78 28.313 7.917 -18.927 1.00 0.00 H new ATOM 0 HB2 GLU A 78 29.007 6.793 -16.593 1.00 0.00 H new ATOM 0 HB3 GLU A 78 29.078 5.344 -17.577 1.00 0.00 H new ATOM 0 HG2 GLU A 78 30.518 6.894 -19.189 1.00 0.00 H new ATOM 0 HG3 GLU A 78 30.766 7.826 -17.726 1.00 0.00 H new ATOM 1226 N THR A 79 26.832 5.023 -19.336 1.00 0.00 N ATOM 1227 CA THR A 79 26.461 4.019 -20.325 1.00 0.00 C ATOM 1228 C THR A 79 25.498 4.594 -21.357 1.00 0.00 C ATOM 1229 O THR A 79 25.390 4.083 -22.473 1.00 0.00 O ATOM 1230 CB THR A 79 25.810 2.791 -19.661 1.00 0.00 C ATOM 1231 OG1 THR A 79 25.946 1.646 -20.510 1.00 0.00 O ATOM 1232 CG2 THR A 79 24.337 3.046 -19.376 1.00 0.00 C ATOM 0 H THR A 79 26.367 4.918 -18.434 1.00 0.00 H new ATOM 0 HA THR A 79 27.380 3.710 -20.822 1.00 0.00 H new ATOM 0 HB THR A 79 26.319 2.604 -18.715 1.00 0.00 H new ATOM 0 HG1 THR A 79 25.531 0.869 -20.080 1.00 0.00 H new ATOM 0 HG21 THR A 79 23.899 2.165 -18.907 1.00 0.00 H new ATOM 0 HG22 THR A 79 24.239 3.900 -18.706 1.00 0.00 H new ATOM 0 HG23 THR A 79 23.817 3.256 -20.310 1.00 0.00 H new ATOM 1240 N LEU A 80 24.800 5.660 -20.980 1.00 0.00 N ATOM 1241 CA LEU A 80 23.846 6.306 -21.874 1.00 0.00 C ATOM 1242 C LEU A 80 24.567 7.098 -22.960 1.00 0.00 C ATOM 1243 O LEU A 80 24.046 7.280 -24.061 1.00 0.00 O ATOM 1244 CB LEU A 80 22.920 7.231 -21.082 1.00 0.00 C ATOM 1245 CG LEU A 80 22.066 6.562 -20.004 1.00 0.00 C ATOM 1246 CD1 LEU A 80 20.988 7.515 -19.511 1.00 0.00 C ATOM 1247 CD2 LEU A 80 21.444 5.279 -20.536 1.00 0.00 C ATOM 0 H LEU A 80 24.877 6.095 -20.061 1.00 0.00 H new ATOM 0 HA LEU A 80 23.250 5.528 -22.352 1.00 0.00 H new ATOM 0 HB2 LEU A 80 23.528 8.003 -20.609 1.00 0.00 H new ATOM 0 HB3 LEU A 80 22.255 7.734 -21.784 1.00 0.00 H new ATOM 0 HG LEU A 80 22.710 6.307 -19.162 1.00 0.00 H new ATOM 0 HD11 LEU A 80 20.390 7.022 -18.744 1.00 0.00 H new ATOM 0 HD12 LEU A 80 21.455 8.406 -19.091 1.00 0.00 H new ATOM 0 HD13 LEU A 80 20.346 7.801 -20.344 1.00 0.00 H new ATOM 0 HD21 LEU A 80 20.840 4.817 -19.755 1.00 0.00 H new ATOM 0 HD22 LEU A 80 20.813 5.509 -21.395 1.00 0.00 H new ATOM 0 HD23 LEU A 80 22.233 4.591 -20.840 1.00 0.00 H new ATOM 1259 N LYS A 81 25.770 7.566 -22.644 1.00 0.00 N ATOM 1260 CA LYS A 81 26.565 8.337 -23.592 1.00 0.00 C ATOM 1261 C LYS A 81 27.347 7.415 -24.523 1.00 0.00 C ATOM 1262 O LYS A 81 27.204 7.483 -25.743 1.00 0.00 O ATOM 1263 CB LYS A 81 27.529 9.263 -22.847 1.00 0.00 C ATOM 1264 CG LYS A 81 26.865 10.509 -22.288 1.00 0.00 C ATOM 1265 CD LYS A 81 26.411 10.304 -20.853 1.00 0.00 C ATOM 1266 CE LYS A 81 27.536 10.580 -19.867 1.00 0.00 C ATOM 1267 NZ LYS A 81 28.045 11.974 -19.984 1.00 0.00 N ATOM 0 H LYS A 81 26.216 7.424 -21.738 1.00 0.00 H new ATOM 0 HA LYS A 81 25.884 8.939 -24.193 1.00 0.00 H new ATOM 0 HB2 LYS A 81 27.992 8.710 -22.029 1.00 0.00 H new ATOM 0 HB3 LYS A 81 28.330 9.561 -23.524 1.00 0.00 H new ATOM 0 HG2 LYS A 81 27.562 11.345 -22.334 1.00 0.00 H new ATOM 0 HG3 LYS A 81 26.008 10.774 -22.907 1.00 0.00 H new ATOM 0 HD2 LYS A 81 25.569 10.962 -20.639 1.00 0.00 H new ATOM 0 HD3 LYS A 81 26.057 9.281 -20.725 1.00 0.00 H new ATOM 0 HE2 LYS A 81 27.180 10.407 -18.851 1.00 0.00 H new ATOM 0 HE3 LYS A 81 28.352 9.879 -20.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 28.532 12.241 -19.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 28.710 12.035 -20.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 27.248 12.622 -20.148 1.00 0.00 H new ATOM 1281 N MET A 82 28.171 6.552 -23.938 1.00 0.00 N ATOM 1282 CA MET A 82 28.974 5.616 -24.715 1.00 0.00 C ATOM 1283 C MET A 82 28.225 5.165 -25.965 1.00 0.00 C ATOM 1284 O MET A 82 28.831 4.922 -27.009 1.00 0.00 O ATOM 1285 CB MET A 82 29.346 4.400 -23.864 1.00 0.00 C ATOM 1286 CG MET A 82 28.252 3.347 -23.797 1.00 0.00 C ATOM 1287 SD MET A 82 28.823 1.797 -23.075 1.00 0.00 S ATOM 1288 CE MET A 82 29.245 2.331 -21.418 1.00 0.00 C ATOM 0 H MET A 82 28.300 6.482 -22.929 1.00 0.00 H new ATOM 0 HA MET A 82 29.886 6.128 -25.023 1.00 0.00 H new ATOM 0 HB2 MET A 82 30.251 3.947 -24.269 1.00 0.00 H new ATOM 0 HB3 MET A 82 29.581 4.733 -22.853 1.00 0.00 H new ATOM 0 HG2 MET A 82 27.418 3.732 -23.209 1.00 0.00 H new ATOM 0 HG3 MET A 82 27.873 3.158 -24.801 1.00 0.00 H new ATOM 0 HE1 MET A 82 30.192 1.880 -21.121 1.00 0.00 H new ATOM 0 HE2 MET A 82 29.338 3.417 -21.398 1.00 0.00 H new ATOM 0 HE3 MET A 82 28.462 2.021 -20.725 1.00 0.00 H new ATOM 1298 N GLU A 83 26.905 5.056 -25.852 1.00 0.00 N ATOM 1299 CA GLU A 83 26.075 4.633 -26.974 1.00 0.00 C ATOM 1300 C GLU A 83 26.028 5.711 -28.053 1.00 0.00 C ATOM 1301 O GLU A 83 26.481 5.500 -29.178 1.00 0.00 O ATOM 1302 CB GLU A 83 24.657 4.313 -26.496 1.00 0.00 C ATOM 1303 CG GLU A 83 24.598 3.803 -25.066 1.00 0.00 C ATOM 1304 CD GLU A 83 23.444 2.847 -24.835 1.00 0.00 C ATOM 1305 OE1 GLU A 83 22.299 3.201 -25.187 1.00 0.00 O ATOM 1306 OE2 GLU A 83 23.685 1.744 -24.301 1.00 0.00 O ATOM 0 H GLU A 83 26.388 5.255 -24.996 1.00 0.00 H new ATOM 0 HA GLU A 83 26.518 3.734 -27.402 1.00 0.00 H new ATOM 0 HB2 GLU A 83 24.044 5.210 -26.579 1.00 0.00 H new ATOM 0 HB3 GLU A 83 24.219 3.566 -27.158 1.00 0.00 H new ATOM 0 HG2 GLU A 83 25.535 3.301 -24.824 1.00 0.00 H new ATOM 0 HG3 GLU A 83 24.505 4.650 -24.386 1.00 0.00 H new ATOM 1313 N HIS A 84 25.476 6.868 -27.701 1.00 0.00 N ATOM 1314 CA HIS A 84 25.370 7.981 -28.638 1.00 0.00 C ATOM 1315 C HIS A 84 26.702 8.229 -29.341 1.00 0.00 C ATOM 1316 O HIS A 84 27.760 7.845 -28.841 1.00 0.00 O ATOM 1317 CB HIS A 84 24.921 9.248 -27.910 1.00 0.00 C ATOM 1318 CG HIS A 84 24.793 10.441 -28.806 1.00 0.00 C ATOM 1319 ND1 HIS A 84 25.736 11.240 -29.357 1.00 0.00 N flip ATOM 1320 CD2 HIS A 84 23.578 10.935 -29.232 1.00 0.00 C flip ATOM 1321 CE1 HIS A 84 25.081 12.192 -30.099 1.00 0.00 C flip ATOM 1322 NE2 HIS A 84 23.779 11.986 -30.007 1.00 0.00 N flip ATOM 0 H HIS A 84 25.095 7.059 -26.774 1.00 0.00 H new ATOM 0 HA HIS A 84 24.625 7.720 -29.390 1.00 0.00 H new ATOM 0 HB2 HIS A 84 23.961 9.060 -27.430 1.00 0.00 H new ATOM 0 HB3 HIS A 84 25.635 9.474 -27.118 1.00 0.00 H new ATOM 0 HD2 HIS A 84 22.613 10.526 -28.973 1.00 0.00 H new ATOM 0 HE1 HIS A 84 25.553 12.981 -30.666 1.00 0.00 H new ATOM 0 HE2 HIS A 84 23.053 12.543 -30.457 1.00 0.00 H new ATOM 1330 N HIS A 85 26.642 8.871 -30.503 1.00 0.00 N ATOM 1331 CA HIS A 85 27.843 9.170 -31.274 1.00 0.00 C ATOM 1332 C HIS A 85 28.624 10.318 -30.641 1.00 0.00 C ATOM 1333 O HIS A 85 28.626 11.436 -31.155 1.00 0.00 O ATOM 1334 CB HIS A 85 27.475 9.521 -32.716 1.00 0.00 C ATOM 1335 CG HIS A 85 26.660 8.467 -33.399 1.00 0.00 C ATOM 1336 ND1 HIS A 85 27.145 7.692 -34.431 1.00 0.00 N ATOM 1337 CD2 HIS A 85 25.386 8.061 -33.193 1.00 0.00 C ATOM 1338 CE1 HIS A 85 26.204 6.855 -34.831 1.00 0.00 C ATOM 1339 NE2 HIS A 85 25.126 7.059 -34.095 1.00 0.00 N ATOM 0 H HIS A 85 25.775 9.194 -30.931 1.00 0.00 H new ATOM 0 HA HIS A 85 28.475 8.282 -31.275 1.00 0.00 H new ATOM 0 HB2 HIS A 85 26.920 10.459 -32.723 1.00 0.00 H new ATOM 0 HB3 HIS A 85 28.389 9.688 -33.285 1.00 0.00 H new ATOM 0 HD2 HIS A 85 24.701 8.452 -32.456 1.00 0.00 H new ATOM 0 HE1 HIS A 85 26.300 6.128 -35.624 1.00 0.00 H new ATOM 0 HE2 HIS A 85 24.244 6.554 -34.183 1.00 0.00 H new ATOM 1347 N MET A 86 29.283 10.034 -29.523 1.00 0.00 N ATOM 1348 CA MET A 86 30.068 11.043 -28.821 1.00 0.00 C ATOM 1349 C MET A 86 31.556 10.717 -28.884 1.00 0.00 C ATOM 1350 O MET A 86 31.940 9.555 -29.020 1.00 0.00 O ATOM 1351 CB MET A 86 29.618 11.146 -27.362 1.00 0.00 C ATOM 1352 CG MET A 86 28.164 11.561 -27.202 1.00 0.00 C ATOM 1353 SD MET A 86 27.831 12.320 -25.601 1.00 0.00 S ATOM 1354 CE MET A 86 26.072 12.633 -25.735 1.00 0.00 C ATOM 0 H MET A 86 29.289 9.114 -29.083 1.00 0.00 H new ATOM 0 HA MET A 86 29.904 12.001 -29.313 1.00 0.00 H new ATOM 0 HB2 MET A 86 29.768 10.182 -26.875 1.00 0.00 H new ATOM 0 HB3 MET A 86 30.252 11.866 -26.845 1.00 0.00 H new ATOM 0 HG2 MET A 86 27.901 12.262 -27.994 1.00 0.00 H new ATOM 0 HG3 MET A 86 27.525 10.687 -27.325 1.00 0.00 H new ATOM 0 HE1 MET A 86 25.860 13.657 -25.427 1.00 0.00 H new ATOM 0 HE2 MET A 86 25.755 12.492 -26.768 1.00 0.00 H new ATOM 0 HE3 MET A 86 25.529 11.941 -25.091 1.00 0.00 H new ATOM 1364 N GLU A 87 32.389 11.748 -28.786 1.00 0.00 N ATOM 1365 CA GLU A 87 33.835 11.569 -28.834 1.00 0.00 C ATOM 1366 C GLU A 87 34.417 11.464 -27.428 1.00 0.00 C ATOM 1367 O GLU A 87 34.867 12.455 -26.855 1.00 0.00 O ATOM 1368 CB GLU A 87 34.491 12.731 -29.584 1.00 0.00 C ATOM 1369 CG GLU A 87 34.232 12.713 -31.081 1.00 0.00 C ATOM 1370 CD GLU A 87 35.023 13.773 -31.822 1.00 0.00 C ATOM 1371 OE1 GLU A 87 34.777 14.973 -31.585 1.00 0.00 O ATOM 1372 OE2 GLU A 87 35.890 13.400 -32.641 1.00 0.00 O ATOM 0 H GLU A 87 32.087 12.716 -28.673 1.00 0.00 H new ATOM 0 HA GLU A 87 34.043 10.640 -29.365 1.00 0.00 H new ATOM 0 HB2 GLU A 87 34.125 13.671 -29.172 1.00 0.00 H new ATOM 0 HB3 GLU A 87 35.567 12.704 -29.410 1.00 0.00 H new ATOM 0 HG2 GLU A 87 34.487 11.731 -31.478 1.00 0.00 H new ATOM 0 HG3 GLU A 87 33.168 12.865 -31.264 1.00 0.00 H new ATOM 1379 N ALA A 88 34.404 10.254 -26.877 1.00 0.00 N ATOM 1380 CA ALA A 88 34.931 10.018 -25.539 1.00 0.00 C ATOM 1381 C ALA A 88 36.397 10.428 -25.446 1.00 0.00 C ATOM 1382 O ALA A 88 36.772 11.239 -24.599 1.00 0.00 O ATOM 1383 CB ALA A 88 34.765 8.554 -25.157 1.00 0.00 C ATOM 0 H ALA A 88 34.034 9.422 -27.337 1.00 0.00 H new ATOM 0 HA ALA A 88 34.364 10.632 -24.839 1.00 0.00 H new ATOM 0 HB1 ALA A 88 35.163 8.392 -24.155 1.00 0.00 H new ATOM 0 HB2 ALA A 88 33.707 8.291 -25.174 1.00 0.00 H new ATOM 0 HB3 ALA A 88 35.306 7.929 -25.868 1.00 0.00 H new ATOM 1389 N HIS A 89 37.222 9.861 -26.321 1.00 0.00 N ATOM 1390 CA HIS A 89 38.647 10.169 -26.337 1.00 0.00 C ATOM 1391 C HIS A 89 38.916 11.461 -27.103 1.00 0.00 C ATOM 1392 O HIS A 89 39.880 11.557 -27.862 1.00 0.00 O ATOM 1393 CB HIS A 89 39.432 9.018 -26.967 1.00 0.00 C ATOM 1394 CG HIS A 89 39.446 9.051 -28.464 1.00 0.00 C ATOM 1395 ND1 HIS A 89 40.562 9.392 -29.199 1.00 0.00 N ATOM 1396 CD2 HIS A 89 38.473 8.781 -29.365 1.00 0.00 C ATOM 1397 CE1 HIS A 89 40.274 9.332 -30.486 1.00 0.00 C ATOM 1398 NE2 HIS A 89 39.012 8.964 -30.615 1.00 0.00 N ATOM 0 H HIS A 89 36.928 9.186 -27.027 1.00 0.00 H new ATOM 0 HA HIS A 89 38.975 10.303 -25.306 1.00 0.00 H new ATOM 0 HB2 HIS A 89 40.459 9.046 -26.602 1.00 0.00 H new ATOM 0 HB3 HIS A 89 39.002 8.072 -26.637 1.00 0.00 H new ATOM 0 HD2 HIS A 89 37.461 8.478 -29.142 1.00 0.00 H new ATOM 0 HE1 HIS A 89 40.955 9.547 -31.296 1.00 0.00 H new ATOM 0 HE2 HIS A 89 38.518 8.837 -31.498 1.00 0.00 H new ATOM 1406 N LYS A 90 38.056 12.453 -26.899 1.00 0.00 N ATOM 1407 CA LYS A 90 38.199 13.741 -27.569 1.00 0.00 C ATOM 1408 C LYS A 90 39.615 14.284 -27.407 1.00 0.00 C ATOM 1409 O LYS A 90 40.296 14.570 -28.390 1.00 0.00 O ATOM 1410 CB LYS A 90 37.189 14.745 -27.009 1.00 0.00 C ATOM 1411 CG LYS A 90 37.038 15.994 -27.860 1.00 0.00 C ATOM 1412 CD LYS A 90 38.035 17.067 -27.456 1.00 0.00 C ATOM 1413 CE LYS A 90 37.625 17.749 -26.159 1.00 0.00 C ATOM 1414 NZ LYS A 90 38.414 18.987 -25.910 1.00 0.00 N ATOM 0 H LYS A 90 37.252 12.390 -26.275 1.00 0.00 H new ATOM 0 HA LYS A 90 38.005 13.594 -28.631 1.00 0.00 H new ATOM 0 HB2 LYS A 90 36.218 14.258 -26.917 1.00 0.00 H new ATOM 0 HB3 LYS A 90 37.496 15.035 -26.004 1.00 0.00 H new ATOM 0 HG2 LYS A 90 37.181 15.740 -28.910 1.00 0.00 H new ATOM 0 HG3 LYS A 90 36.024 16.382 -27.762 1.00 0.00 H new ATOM 0 HD2 LYS A 90 39.023 16.621 -27.338 1.00 0.00 H new ATOM 0 HD3 LYS A 90 38.113 17.810 -28.250 1.00 0.00 H new ATOM 0 HE2 LYS A 90 36.564 17.996 -26.198 1.00 0.00 H new ATOM 0 HE3 LYS A 90 37.761 17.058 -25.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 38.105 19.422 -25.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 39.424 18.748 -25.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 38.265 19.657 -26.691 1.00 0.00 H new ATOM 1428 N ASN A 91 40.052 14.422 -26.159 1.00 0.00 N ATOM 1429 CA ASN A 91 41.387 14.930 -25.869 1.00 0.00 C ATOM 1430 C ASN A 91 42.370 13.784 -25.651 1.00 0.00 C ATOM 1431 O ASN A 91 41.971 12.660 -25.348 1.00 0.00 O ATOM 1432 CB ASN A 91 41.355 15.831 -24.633 1.00 0.00 C ATOM 1433 CG ASN A 91 41.077 15.056 -23.359 1.00 0.00 C ATOM 1434 OD1 ASN A 91 39.954 14.610 -23.124 1.00 0.00 O ATOM 1435 ND2 ASN A 91 42.101 14.894 -22.530 1.00 0.00 N ATOM 0 H ASN A 91 39.501 14.189 -25.333 1.00 0.00 H new ATOM 0 HA ASN A 91 41.721 15.513 -26.727 1.00 0.00 H new ATOM 0 HB2 ASN A 91 42.310 16.348 -24.539 1.00 0.00 H new ATOM 0 HB3 ASN A 91 40.590 16.596 -24.764 1.00 0.00 H new ATOM 0 HD21 ASN A 91 41.974 14.382 -21.657 1.00 0.00 H new ATOM 0 HD22 ASN A 91 43.015 15.281 -22.766 1.00 0.00 H new ATOM 1442 N SER A 92 43.657 14.078 -25.807 1.00 0.00 N ATOM 1443 CA SER A 92 44.698 13.071 -25.631 1.00 0.00 C ATOM 1444 C SER A 92 44.474 12.277 -24.347 1.00 0.00 C ATOM 1445 O SER A 92 44.322 12.849 -23.269 1.00 0.00 O ATOM 1446 CB SER A 92 46.077 13.733 -25.601 1.00 0.00 C ATOM 1447 OG SER A 92 46.272 14.556 -26.737 1.00 0.00 O ATOM 0 H SER A 92 44.004 15.005 -26.055 1.00 0.00 H new ATOM 0 HA SER A 92 44.651 12.383 -26.476 1.00 0.00 H new ATOM 0 HB2 SER A 92 46.178 14.329 -24.694 1.00 0.00 H new ATOM 0 HB3 SER A 92 46.851 12.966 -25.566 1.00 0.00 H new ATOM 0 HG SER A 92 47.160 14.969 -26.693 1.00 0.00 H new ATOM 1453 N GLY A 93 44.455 10.954 -24.473 1.00 0.00 N ATOM 1454 CA GLY A 93 44.249 10.101 -23.316 1.00 0.00 C ATOM 1455 C GLY A 93 43.404 8.884 -23.636 1.00 0.00 C ATOM 1456 O GLY A 93 42.239 8.792 -23.248 1.00 0.00 O ATOM 0 H GLY A 93 44.578 10.457 -25.355 1.00 0.00 H new ATOM 0 HA2 GLY A 93 45.216 9.777 -22.931 1.00 0.00 H new ATOM 0 HA3 GLY A 93 43.767 10.676 -22.525 1.00 0.00 H new ATOM 1460 N PRO A 94 43.994 7.923 -24.362 1.00 0.00 N ATOM 1461 CA PRO A 94 43.306 6.689 -24.750 1.00 0.00 C ATOM 1462 C PRO A 94 43.049 5.769 -23.561 1.00 0.00 C ATOM 1463 O PRO A 94 42.420 4.720 -23.699 1.00 0.00 O ATOM 1464 CB PRO A 94 44.280 6.033 -25.733 1.00 0.00 C ATOM 1465 CG PRO A 94 45.617 6.567 -25.352 1.00 0.00 C ATOM 1466 CD PRO A 94 45.380 7.967 -24.859 1.00 0.00 C ATOM 0 HA PRO A 94 42.321 6.888 -25.173 1.00 0.00 H new ATOM 0 HB2 PRO A 94 44.250 4.946 -25.654 1.00 0.00 H new ATOM 0 HB3 PRO A 94 44.032 6.285 -26.764 1.00 0.00 H new ATOM 0 HG2 PRO A 94 46.076 5.953 -24.577 1.00 0.00 H new ATOM 0 HG3 PRO A 94 46.296 6.564 -26.205 1.00 0.00 H new ATOM 0 HD2 PRO A 94 46.081 8.240 -24.070 1.00 0.00 H new ATOM 0 HD3 PRO A 94 45.498 8.700 -25.657 1.00 0.00 H new ATOM 1474 N SER A 95 43.540 6.170 -22.392 1.00 0.00 N ATOM 1475 CA SER A 95 43.366 5.380 -21.179 1.00 0.00 C ATOM 1476 C SER A 95 41.887 5.239 -20.830 1.00 0.00 C ATOM 1477 O SER A 95 41.252 6.190 -20.374 1.00 0.00 O ATOM 1478 CB SER A 95 44.117 6.026 -20.013 1.00 0.00 C ATOM 1479 OG SER A 95 45.519 5.939 -20.199 1.00 0.00 O ATOM 0 H SER A 95 44.061 7.037 -22.260 1.00 0.00 H new ATOM 0 HA SER A 95 43.775 4.386 -21.360 1.00 0.00 H new ATOM 0 HB2 SER A 95 43.823 7.072 -19.922 1.00 0.00 H new ATOM 0 HB3 SER A 95 43.839 5.534 -19.081 1.00 0.00 H new ATOM 0 HG SER A 95 45.976 6.360 -19.442 1.00 0.00 H new ATOM 1485 N SER A 96 41.345 4.045 -21.049 1.00 0.00 N ATOM 1486 CA SER A 96 39.940 3.779 -20.763 1.00 0.00 C ATOM 1487 C SER A 96 39.795 2.919 -19.511 1.00 0.00 C ATOM 1488 O SER A 96 39.936 1.698 -19.564 1.00 0.00 O ATOM 1489 CB SER A 96 39.278 3.084 -21.954 1.00 0.00 C ATOM 1490 OG SER A 96 37.872 3.259 -21.929 1.00 0.00 O ATOM 0 H SER A 96 41.858 3.247 -21.424 1.00 0.00 H new ATOM 0 HA SER A 96 39.443 4.733 -20.587 1.00 0.00 H new ATOM 0 HB2 SER A 96 39.681 3.486 -22.884 1.00 0.00 H new ATOM 0 HB3 SER A 96 39.516 2.020 -21.937 1.00 0.00 H new ATOM 0 HG SER A 96 37.472 2.807 -22.701 1.00 0.00 H new ATOM 1496 N GLY A 97 39.511 3.567 -18.385 1.00 0.00 N ATOM 1497 CA GLY A 97 39.350 2.847 -17.135 1.00 0.00 C ATOM 1498 C GLY A 97 39.242 3.774 -15.942 1.00 0.00 C ATOM 1499 O GLY A 97 39.584 4.953 -16.030 1.00 0.00 O ATOM 0 H GLY A 97 39.390 4.577 -18.316 1.00 0.00 H new ATOM 0 HA2 GLY A 97 38.456 2.225 -17.190 1.00 0.00 H new ATOM 0 HA3 GLY A 97 40.197 2.176 -16.994 1.00 0.00 H new TER 1503 GLY A 97