USER MOD reduce.3.24.130724 H: found=0, std=0, add=687, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 684 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 48 THR OG1 : rot 130:sc= -1.33 USER MOD Set 1.2: A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -122:sc= 0.0859 (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 12 TYR OH : rot 180:sc= -0.0351 USER MOD Single : A 14 ASN : amide:sc= -0.1 K(o=-0.1,f=-1.9!) USER MOD Single : A 15 SER OG : rot 180:sc= -0.083 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -0.421 X(o=-0.42,f=-0.027) USER MOD Single : A 26 MET CE :methyl -172:sc= 0 (180deg=-0.0297) USER MOD Single : A 27 HIS : no HD1:sc= -0.0167 X(o=-0.017,f=0) USER MOD Single : A 28 CYS SG : rot -5:sc= 0.0375 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.448 X(o=-0.45,f=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= -0.155 K(o=-0.15,f=-2.2!) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 46 MET CE :methyl -119:sc= -1.42 (180deg=-2.9!) USER MOD Single : A 57 TYR OH : rot 180:sc= -0.0387 USER MOD Single : A 66 ASN : amide:sc= -4.95 K(o=-4.9,f=-8.8!) USER MOD Single : A 69 CYS SG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ -157:sc= -0.176 (180deg=-0.833) USER MOD Single : A 76 ASN : amide:sc= -0.273 X(o=-0.27,f=-0.27) USER MOD Single : A 78 LYS NZ :NH3+ -147:sc= -0.232 (180deg=-1.49!) USER MOD Single : A 79 THR OG1 : rot -53:sc= 0.372 USER MOD Single : A 80 MET CE :methyl -172:sc= 0 (180deg=-0.0459) USER MOD Single : A 84 SER OG : rot 42:sc= 0.676 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -18.039 10.151 -6.698 1.00 0.00 N ATOM 2 CA GLY A 1 -16.599 10.328 -6.738 1.00 0.00 C ATOM 3 C GLY A 1 -16.172 11.387 -7.734 1.00 0.00 C ATOM 4 O GLY A 1 -17.011 12.061 -8.332 1.00 0.00 O ATOM 0 H1 GLY A 1 -18.383 10.322 -5.732 1.00 0.00 H new ATOM 0 H2 GLY A 1 -18.490 10.824 -7.350 1.00 0.00 H new ATOM 0 H3 GLY A 1 -18.277 9.180 -6.984 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -16.242 10.603 -5.745 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -16.127 9.380 -6.996 1.00 0.00 H new ATOM 8 N SER A 2 -14.864 11.537 -7.913 1.00 0.00 N ATOM 9 CA SER A 2 -14.327 12.526 -8.840 1.00 0.00 C ATOM 10 C SER A 2 -14.483 12.059 -10.284 1.00 0.00 C ATOM 11 O SER A 2 -14.943 10.946 -10.542 1.00 0.00 O ATOM 12 CB SER A 2 -12.851 12.793 -8.535 1.00 0.00 C ATOM 13 OG SER A 2 -12.675 13.212 -7.193 1.00 0.00 O ATOM 0 H SER A 2 -14.156 10.986 -7.428 1.00 0.00 H new ATOM 0 HA SER A 2 -14.890 13.450 -8.713 1.00 0.00 H new ATOM 0 HB2 SER A 2 -12.270 11.889 -8.716 1.00 0.00 H new ATOM 0 HB3 SER A 2 -12.469 13.558 -9.211 1.00 0.00 H new ATOM 0 HG SER A 2 -11.724 13.374 -7.023 1.00 0.00 H new ATOM 19 N SER A 3 -14.098 12.918 -11.222 1.00 0.00 N ATOM 20 CA SER A 3 -14.198 12.596 -12.641 1.00 0.00 C ATOM 21 C SER A 3 -12.961 11.841 -13.116 1.00 0.00 C ATOM 22 O SER A 3 -11.841 12.344 -13.029 1.00 0.00 O ATOM 23 CB SER A 3 -14.377 13.874 -13.464 1.00 0.00 C ATOM 24 OG SER A 3 -15.660 14.438 -13.257 1.00 0.00 O ATOM 0 H SER A 3 -13.714 13.842 -11.025 1.00 0.00 H new ATOM 0 HA SER A 3 -15.069 11.956 -12.782 1.00 0.00 H new ATOM 0 HB2 SER A 3 -13.610 14.598 -13.189 1.00 0.00 H new ATOM 0 HB3 SER A 3 -14.241 13.651 -14.522 1.00 0.00 H new ATOM 0 HG SER A 3 -15.749 15.254 -13.792 1.00 0.00 H new ATOM 30 N GLY A 4 -13.172 10.628 -13.618 1.00 0.00 N ATOM 31 CA GLY A 4 -12.065 9.822 -14.099 1.00 0.00 C ATOM 32 C GLY A 4 -12.319 8.336 -13.942 1.00 0.00 C ATOM 33 O GLY A 4 -12.660 7.869 -12.855 1.00 0.00 O ATOM 0 H GLY A 4 -14.089 10.189 -13.700 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -11.885 10.048 -15.150 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -11.160 10.092 -13.555 1.00 0.00 H new ATOM 37 N SER A 5 -12.155 7.590 -15.030 1.00 0.00 N ATOM 38 CA SER A 5 -12.374 6.149 -15.010 1.00 0.00 C ATOM 39 C SER A 5 -11.934 5.551 -13.677 1.00 0.00 C ATOM 40 O SER A 5 -10.842 5.838 -13.186 1.00 0.00 O ATOM 41 CB SER A 5 -11.615 5.480 -16.157 1.00 0.00 C ATOM 42 OG SER A 5 -12.137 4.191 -16.431 1.00 0.00 O ATOM 0 H SER A 5 -11.871 7.960 -15.937 1.00 0.00 H new ATOM 0 HA SER A 5 -13.441 5.967 -15.136 1.00 0.00 H new ATOM 0 HB2 SER A 5 -11.681 6.100 -17.051 1.00 0.00 H new ATOM 0 HB3 SER A 5 -10.558 5.401 -15.901 1.00 0.00 H new ATOM 0 HG SER A 5 -11.636 3.785 -17.169 1.00 0.00 H new ATOM 48 N SER A 6 -12.792 4.718 -13.097 1.00 0.00 N ATOM 49 CA SER A 6 -12.494 4.082 -11.819 1.00 0.00 C ATOM 50 C SER A 6 -11.963 2.667 -12.027 1.00 0.00 C ATOM 51 O SER A 6 -12.732 1.713 -12.135 1.00 0.00 O ATOM 52 CB SER A 6 -13.746 4.045 -10.940 1.00 0.00 C ATOM 53 OG SER A 6 -14.324 5.333 -10.821 1.00 0.00 O ATOM 0 H SER A 6 -13.699 4.468 -13.492 1.00 0.00 H new ATOM 0 HA SER A 6 -11.725 4.670 -11.319 1.00 0.00 H new ATOM 0 HB2 SER A 6 -14.473 3.355 -11.367 1.00 0.00 H new ATOM 0 HB3 SER A 6 -13.489 3.666 -9.951 1.00 0.00 H new ATOM 0 HG SER A 6 -15.123 5.282 -10.256 1.00 0.00 H new ATOM 59 N GLY A 7 -10.640 2.540 -12.082 1.00 0.00 N ATOM 60 CA GLY A 7 -10.027 1.239 -12.277 1.00 0.00 C ATOM 61 C GLY A 7 -9.162 0.824 -11.104 1.00 0.00 C ATOM 62 O GLY A 7 -9.247 -0.309 -10.632 1.00 0.00 O ATOM 0 H GLY A 7 -9.982 3.315 -11.995 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -10.807 0.493 -12.431 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -9.421 1.259 -13.183 1.00 0.00 H new ATOM 66 N MET A 8 -8.325 1.743 -10.634 1.00 0.00 N ATOM 67 CA MET A 8 -7.440 1.466 -9.508 1.00 0.00 C ATOM 68 C MET A 8 -8.241 1.084 -8.268 1.00 0.00 C ATOM 69 O MET A 8 -8.302 -0.088 -7.894 1.00 0.00 O ATOM 70 CB MET A 8 -6.564 2.684 -9.209 1.00 0.00 C ATOM 71 CG MET A 8 -5.217 2.652 -9.913 1.00 0.00 C ATOM 72 SD MET A 8 -4.475 4.287 -10.068 1.00 0.00 S ATOM 73 CE MET A 8 -3.458 4.339 -8.594 1.00 0.00 C ATOM 0 H MET A 8 -8.241 2.685 -11.015 1.00 0.00 H new ATOM 0 HA MET A 8 -6.801 0.626 -9.779 1.00 0.00 H new ATOM 0 HB2 MET A 8 -7.098 3.587 -9.505 1.00 0.00 H new ATOM 0 HB3 MET A 8 -6.401 2.749 -8.133 1.00 0.00 H new ATOM 0 HG2 MET A 8 -4.539 2.000 -9.362 1.00 0.00 H new ATOM 0 HG3 MET A 8 -5.340 2.218 -10.905 1.00 0.00 H new ATOM 0 HE1 MET A 8 -2.933 5.293 -8.548 1.00 0.00 H new ATOM 0 HE2 MET A 8 -4.089 4.229 -7.712 1.00 0.00 H new ATOM 0 HE3 MET A 8 -2.732 3.527 -8.624 1.00 0.00 H new ATOM 83 N ILE A 9 -8.853 2.079 -7.634 1.00 0.00 N ATOM 84 CA ILE A 9 -9.650 1.845 -6.437 1.00 0.00 C ATOM 85 C ILE A 9 -10.617 0.684 -6.638 1.00 0.00 C ATOM 86 O ILE A 9 -10.704 -0.217 -5.804 1.00 0.00 O ATOM 87 CB ILE A 9 -10.449 3.101 -6.039 1.00 0.00 C ATOM 88 CG1 ILE A 9 -9.500 4.268 -5.759 1.00 0.00 C ATOM 89 CG2 ILE A 9 -11.316 2.813 -4.822 1.00 0.00 C ATOM 90 CD1 ILE A 9 -9.157 5.076 -6.991 1.00 0.00 C ATOM 0 H ILE A 9 -8.812 3.054 -7.930 1.00 0.00 H new ATOM 0 HA ILE A 9 -8.952 1.599 -5.637 1.00 0.00 H new ATOM 0 HB ILE A 9 -11.100 3.378 -6.868 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -9.954 4.926 -5.018 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -8.580 3.881 -5.320 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -11.874 3.710 -4.553 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -12.013 2.008 -5.054 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -10.683 2.515 -3.986 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -8.481 5.886 -6.718 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -8.674 4.432 -7.726 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -10.069 5.493 -7.418 1.00 0.00 H new ATOM 102 N ALA A 10 -11.342 0.710 -7.752 1.00 0.00 N ATOM 103 CA ALA A 10 -12.300 -0.342 -8.065 1.00 0.00 C ATOM 104 C ALA A 10 -11.634 -1.714 -8.051 1.00 0.00 C ATOM 105 O ALA A 10 -12.056 -2.612 -7.324 1.00 0.00 O ATOM 106 CB ALA A 10 -12.947 -0.082 -9.418 1.00 0.00 C ATOM 0 H ALA A 10 -11.283 1.449 -8.453 1.00 0.00 H new ATOM 0 HA ALA A 10 -13.073 -0.334 -7.297 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -13.660 -0.876 -9.639 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -13.466 0.876 -9.395 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -12.178 -0.060 -10.191 1.00 0.00 H new ATOM 112 N ALA A 11 -10.590 -1.868 -8.859 1.00 0.00 N ATOM 113 CA ALA A 11 -9.865 -3.130 -8.938 1.00 0.00 C ATOM 114 C ALA A 11 -9.358 -3.558 -7.565 1.00 0.00 C ATOM 115 O ALA A 11 -9.690 -4.640 -7.080 1.00 0.00 O ATOM 116 CB ALA A 11 -8.706 -3.012 -9.917 1.00 0.00 C ATOM 0 H ALA A 11 -10.228 -1.134 -9.468 1.00 0.00 H new ATOM 0 HA ALA A 11 -10.554 -3.895 -9.297 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -8.173 -3.962 -9.966 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -9.089 -2.759 -10.906 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -8.024 -2.230 -9.581 1.00 0.00 H new ATOM 122 N TYR A 12 -8.552 -2.704 -6.944 1.00 0.00 N ATOM 123 CA TYR A 12 -7.997 -2.996 -5.628 1.00 0.00 C ATOM 124 C TYR A 12 -9.101 -3.355 -4.639 1.00 0.00 C ATOM 125 O TYR A 12 -8.941 -4.253 -3.813 1.00 0.00 O ATOM 126 CB TYR A 12 -7.202 -1.797 -5.109 1.00 0.00 C ATOM 127 CG TYR A 12 -5.918 -1.548 -5.868 1.00 0.00 C ATOM 128 CD1 TYR A 12 -4.923 -2.516 -5.926 1.00 0.00 C ATOM 129 CD2 TYR A 12 -5.700 -0.344 -6.527 1.00 0.00 C ATOM 130 CE1 TYR A 12 -3.748 -2.292 -6.617 1.00 0.00 C ATOM 131 CE2 TYR A 12 -4.528 -0.113 -7.222 1.00 0.00 C ATOM 132 CZ TYR A 12 -3.555 -1.089 -7.263 1.00 0.00 C ATOM 133 OH TYR A 12 -2.387 -0.863 -7.954 1.00 0.00 O ATOM 0 H TYR A 12 -8.268 -1.804 -7.331 1.00 0.00 H new ATOM 0 HA TYR A 12 -7.329 -3.852 -5.725 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -7.827 -0.905 -5.166 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -6.967 -1.955 -4.056 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -5.071 -3.460 -5.422 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -6.459 0.424 -6.495 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -2.984 -3.055 -6.651 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -4.375 0.827 -7.731 1.00 0.00 H new ATOM 0 HH TYR A 12 -2.410 0.032 -8.352 1.00 0.00 H new ATOM 143 N GLU A 13 -10.222 -2.647 -4.730 1.00 0.00 N ATOM 144 CA GLU A 13 -11.354 -2.890 -3.843 1.00 0.00 C ATOM 145 C GLU A 13 -11.979 -4.254 -4.121 1.00 0.00 C ATOM 146 O GLU A 13 -12.347 -4.979 -3.198 1.00 0.00 O ATOM 147 CB GLU A 13 -12.405 -1.791 -4.008 1.00 0.00 C ATOM 148 CG GLU A 13 -12.139 -0.561 -3.157 1.00 0.00 C ATOM 149 CD GLU A 13 -13.325 0.383 -3.108 1.00 0.00 C ATOM 150 OE1 GLU A 13 -14.301 0.072 -2.394 1.00 0.00 O ATOM 151 OE2 GLU A 13 -13.276 1.432 -3.783 1.00 0.00 O ATOM 0 H GLU A 13 -10.371 -1.900 -5.409 1.00 0.00 H new ATOM 0 HA GLU A 13 -10.988 -2.880 -2.816 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -12.447 -1.495 -5.056 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -13.384 -2.195 -3.751 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -11.886 -0.873 -2.144 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -11.273 -0.030 -3.553 1.00 0.00 H new ATOM 158 N ASN A 14 -12.097 -4.595 -5.400 1.00 0.00 N ATOM 159 CA ASN A 14 -12.679 -5.871 -5.800 1.00 0.00 C ATOM 160 C ASN A 14 -11.827 -7.036 -5.307 1.00 0.00 C ATOM 161 O ASN A 14 -12.348 -8.016 -4.772 1.00 0.00 O ATOM 162 CB ASN A 14 -12.819 -5.936 -7.323 1.00 0.00 C ATOM 163 CG ASN A 14 -13.896 -6.908 -7.763 1.00 0.00 C ATOM 164 OD1 ASN A 14 -14.794 -7.247 -6.993 1.00 0.00 O ATOM 165 ND2 ASN A 14 -13.810 -7.361 -9.009 1.00 0.00 N ATOM 0 H ASN A 14 -11.797 -4.006 -6.177 1.00 0.00 H new ATOM 0 HA ASN A 14 -13.667 -5.949 -5.347 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -13.051 -4.943 -7.707 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -11.866 -6.232 -7.761 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -14.506 -8.017 -9.362 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -13.048 -7.052 -9.612 1.00 0.00 H new ATOM 172 N SER A 15 -10.516 -6.922 -5.488 1.00 0.00 N ATOM 173 CA SER A 15 -9.592 -7.967 -5.064 1.00 0.00 C ATOM 174 C SER A 15 -9.696 -8.208 -3.561 1.00 0.00 C ATOM 175 O SER A 15 -10.454 -7.534 -2.864 1.00 0.00 O ATOM 176 CB SER A 15 -8.156 -7.589 -5.433 1.00 0.00 C ATOM 177 OG SER A 15 -7.281 -8.691 -5.273 1.00 0.00 O ATOM 0 H SER A 15 -10.069 -6.116 -5.926 1.00 0.00 H new ATOM 0 HA SER A 15 -9.862 -8.887 -5.582 1.00 0.00 H new ATOM 0 HB2 SER A 15 -8.122 -7.241 -6.465 1.00 0.00 H new ATOM 0 HB3 SER A 15 -7.822 -6.762 -4.807 1.00 0.00 H new ATOM 0 HG SER A 15 -6.370 -8.424 -5.517 1.00 0.00 H new ATOM 183 N LYS A 16 -8.929 -9.174 -3.069 1.00 0.00 N ATOM 184 CA LYS A 16 -8.932 -9.505 -1.649 1.00 0.00 C ATOM 185 C LYS A 16 -7.511 -9.549 -1.097 1.00 0.00 C ATOM 186 O LYS A 16 -6.550 -9.253 -1.807 1.00 0.00 O ATOM 187 CB LYS A 16 -9.621 -10.853 -1.419 1.00 0.00 C ATOM 188 CG LYS A 16 -11.103 -10.843 -1.754 1.00 0.00 C ATOM 189 CD LYS A 16 -11.843 -11.961 -1.040 1.00 0.00 C ATOM 190 CE LYS A 16 -12.192 -11.576 0.389 1.00 0.00 C ATOM 191 NZ LYS A 16 -12.688 -12.741 1.173 1.00 0.00 N ATOM 0 H LYS A 16 -8.297 -9.742 -3.633 1.00 0.00 H new ATOM 0 HA LYS A 16 -9.484 -8.727 -1.122 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -9.125 -11.613 -2.023 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -9.495 -11.143 -0.376 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -11.534 -9.882 -1.473 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -11.234 -10.948 -2.831 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -12.755 -12.201 -1.586 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -11.228 -12.861 -1.035 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -11.312 -11.158 0.878 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -12.952 -10.795 0.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -12.915 -12.437 2.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -13.543 -13.125 0.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -11.953 -13.476 1.205 1.00 0.00 H new ATOM 205 N TRP A 17 -7.385 -9.921 0.172 1.00 0.00 N ATOM 206 CA TRP A 17 -6.080 -10.005 0.818 1.00 0.00 C ATOM 207 C TRP A 17 -5.259 -11.153 0.240 1.00 0.00 C ATOM 208 O TRP A 17 -5.807 -12.083 -0.350 1.00 0.00 O ATOM 209 CB TRP A 17 -6.246 -10.189 2.327 1.00 0.00 C ATOM 210 CG TRP A 17 -4.962 -10.044 3.088 1.00 0.00 C ATOM 211 CD1 TRP A 17 -4.428 -8.888 3.580 1.00 0.00 C ATOM 212 CD2 TRP A 17 -4.052 -11.092 3.440 1.00 0.00 C ATOM 213 NE1 TRP A 17 -3.240 -9.154 4.218 1.00 0.00 N ATOM 214 CE2 TRP A 17 -2.988 -10.499 4.147 1.00 0.00 C ATOM 215 CE3 TRP A 17 -4.034 -12.473 3.230 1.00 0.00 C ATOM 216 CZ2 TRP A 17 -1.918 -11.241 4.641 1.00 0.00 C ATOM 217 CZ3 TRP A 17 -2.972 -13.208 3.721 1.00 0.00 C ATOM 218 CH2 TRP A 17 -1.926 -12.591 4.420 1.00 0.00 C ATOM 0 H TRP A 17 -8.170 -10.169 0.774 1.00 0.00 H new ATOM 0 HA TRP A 17 -5.548 -9.072 0.629 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -6.964 -9.458 2.698 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -6.666 -11.176 2.521 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -4.873 -7.909 3.482 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -2.643 -8.462 4.671 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -4.836 -12.958 2.693 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -1.110 -10.767 5.180 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -2.948 -14.276 3.563 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -1.110 -13.193 4.792 1.00 0.00 H new ATOM 229 N GLU A 18 -3.943 -11.081 0.414 1.00 0.00 N ATOM 230 CA GLU A 18 -3.048 -12.115 -0.091 1.00 0.00 C ATOM 231 C GLU A 18 -1.668 -12.001 0.549 1.00 0.00 C ATOM 232 O GLU A 18 -1.122 -10.910 0.716 1.00 0.00 O ATOM 233 CB GLU A 18 -2.926 -12.016 -1.613 1.00 0.00 C ATOM 234 CG GLU A 18 -2.098 -13.130 -2.231 1.00 0.00 C ATOM 235 CD GLU A 18 -2.894 -14.405 -2.433 1.00 0.00 C ATOM 236 OE1 GLU A 18 -3.863 -14.626 -1.677 1.00 0.00 O ATOM 237 OE2 GLU A 18 -2.547 -15.182 -3.347 1.00 0.00 O ATOM 0 H GLU A 18 -3.473 -10.317 0.901 1.00 0.00 H new ATOM 0 HA GLU A 18 -3.471 -13.085 0.170 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -3.924 -12.031 -2.051 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -2.479 -11.056 -1.872 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -1.705 -12.796 -3.191 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.241 -13.339 -1.591 1.00 0.00 H new ATOM 244 N PRO A 19 -1.090 -13.154 0.918 1.00 0.00 N ATOM 245 CA PRO A 19 0.233 -13.210 1.546 1.00 0.00 C ATOM 246 C PRO A 19 1.352 -12.846 0.575 1.00 0.00 C ATOM 247 O PRO A 19 1.800 -13.680 -0.212 1.00 0.00 O ATOM 248 CB PRO A 19 0.357 -14.673 1.980 1.00 0.00 C ATOM 249 CG PRO A 19 -0.542 -15.420 1.057 1.00 0.00 C ATOM 250 CD PRO A 19 -1.684 -14.491 0.749 1.00 0.00 C ATOM 0 HA PRO A 19 0.326 -12.498 2.366 1.00 0.00 H new ATOM 0 HB2 PRO A 19 1.386 -15.024 1.900 1.00 0.00 H new ATOM 0 HB3 PRO A 19 0.055 -14.805 3.019 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -0.016 -15.707 0.147 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -0.901 -16.339 1.520 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -2.061 -14.639 -0.263 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -2.523 -14.647 1.427 1.00 0.00 H new ATOM 258 N VAL A 20 1.799 -11.596 0.637 1.00 0.00 N ATOM 259 CA VAL A 20 2.866 -11.122 -0.235 1.00 0.00 C ATOM 260 C VAL A 20 3.962 -10.426 0.565 1.00 0.00 C ATOM 261 O VAL A 20 3.774 -9.315 1.061 1.00 0.00 O ATOM 262 CB VAL A 20 2.329 -10.150 -1.303 1.00 0.00 C ATOM 263 CG1 VAL A 20 1.487 -9.060 -0.657 1.00 0.00 C ATOM 264 CG2 VAL A 20 3.476 -9.547 -2.099 1.00 0.00 C ATOM 0 H VAL A 20 1.438 -10.893 1.282 1.00 0.00 H new ATOM 0 HA VAL A 20 3.283 -11.999 -0.730 1.00 0.00 H new ATOM 0 HB VAL A 20 1.693 -10.708 -1.991 1.00 0.00 H new ATOM 0 HG11 VAL A 20 1.116 -8.383 -1.426 1.00 0.00 H new ATOM 0 HG12 VAL A 20 0.644 -9.513 -0.135 1.00 0.00 H new ATOM 0 HG13 VAL A 20 2.097 -8.502 0.054 1.00 0.00 H new ATOM 0 HG21 VAL A 20 3.078 -8.863 -2.849 1.00 0.00 H new ATOM 0 HG22 VAL A 20 4.139 -9.003 -1.426 1.00 0.00 H new ATOM 0 HG23 VAL A 20 4.034 -10.343 -2.593 1.00 0.00 H new ATOM 274 N LYS A 21 5.108 -11.086 0.686 1.00 0.00 N ATOM 275 CA LYS A 21 6.237 -10.532 1.424 1.00 0.00 C ATOM 276 C LYS A 21 6.698 -9.216 0.805 1.00 0.00 C ATOM 277 O LYS A 21 7.203 -9.191 -0.317 1.00 0.00 O ATOM 278 CB LYS A 21 7.396 -11.530 1.449 1.00 0.00 C ATOM 279 CG LYS A 21 8.285 -11.399 2.674 1.00 0.00 C ATOM 280 CD LYS A 21 9.673 -11.963 2.419 1.00 0.00 C ATOM 281 CE LYS A 21 9.714 -13.467 2.646 1.00 0.00 C ATOM 282 NZ LYS A 21 11.049 -14.041 2.319 1.00 0.00 N ATOM 0 H LYS A 21 5.280 -12.007 0.282 1.00 0.00 H new ATOM 0 HA LYS A 21 5.911 -10.338 2.446 1.00 0.00 H new ATOM 0 HB2 LYS A 21 6.994 -12.542 1.409 1.00 0.00 H new ATOM 0 HB3 LYS A 21 8.002 -11.392 0.554 1.00 0.00 H new ATOM 0 HG2 LYS A 21 8.364 -10.349 2.957 1.00 0.00 H new ATOM 0 HG3 LYS A 21 7.828 -11.922 3.514 1.00 0.00 H new ATOM 0 HD2 LYS A 21 9.975 -11.740 1.396 1.00 0.00 H new ATOM 0 HD3 LYS A 21 10.392 -11.475 3.077 1.00 0.00 H new ATOM 0 HE2 LYS A 21 9.470 -13.684 3.686 1.00 0.00 H new ATOM 0 HE3 LYS A 21 8.952 -13.948 2.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 11.036 -15.067 2.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 11.271 -13.856 1.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 11.773 -13.601 2.922 1.00 0.00 H new ATOM 296 N TRP A 22 6.523 -8.127 1.544 1.00 0.00 N ATOM 297 CA TRP A 22 6.923 -6.808 1.067 1.00 0.00 C ATOM 298 C TRP A 22 8.432 -6.623 1.182 1.00 0.00 C ATOM 299 O TRP A 22 8.982 -6.602 2.283 1.00 0.00 O ATOM 300 CB TRP A 22 6.201 -5.716 1.859 1.00 0.00 C ATOM 301 CG TRP A 22 4.725 -5.675 1.604 1.00 0.00 C ATOM 302 CD1 TRP A 22 3.730 -5.932 2.504 1.00 0.00 C ATOM 303 CD2 TRP A 22 4.078 -5.360 0.367 1.00 0.00 C ATOM 304 NE1 TRP A 22 2.504 -5.796 1.900 1.00 0.00 N ATOM 305 CE2 TRP A 22 2.689 -5.445 0.589 1.00 0.00 C ATOM 306 CE3 TRP A 22 4.535 -5.012 -0.907 1.00 0.00 C ATOM 307 CZ2 TRP A 22 1.758 -5.195 -0.415 1.00 0.00 C ATOM 308 CZ3 TRP A 22 3.610 -4.766 -1.903 1.00 0.00 C ATOM 309 CH2 TRP A 22 2.234 -4.857 -1.653 1.00 0.00 C ATOM 0 H TRP A 22 6.107 -8.131 2.475 1.00 0.00 H new ATOM 0 HA TRP A 22 6.645 -6.729 0.016 1.00 0.00 H new ATOM 0 HB2 TRP A 22 6.374 -5.874 2.923 1.00 0.00 H new ATOM 0 HB3 TRP A 22 6.633 -4.748 1.606 1.00 0.00 H new ATOM 0 HD1 TRP A 22 3.885 -6.202 3.538 1.00 0.00 H new ATOM 0 HE1 TRP A 22 1.601 -5.934 2.354 1.00 0.00 H new ATOM 0 HE3 TRP A 22 5.593 -4.937 -1.109 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 0.697 -5.265 -0.224 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 3.953 -4.499 -2.892 1.00 0.00 H new ATOM 0 HH2 TRP A 22 1.536 -4.657 -2.452 1.00 0.00 H new ATOM 320 N GLU A 23 9.096 -6.488 0.038 1.00 0.00 N ATOM 321 CA GLU A 23 10.543 -6.305 0.012 1.00 0.00 C ATOM 322 C GLU A 23 10.905 -4.824 0.083 1.00 0.00 C ATOM 323 O GLU A 23 10.087 -3.959 -0.224 1.00 0.00 O ATOM 324 CB GLU A 23 11.135 -6.925 -1.255 1.00 0.00 C ATOM 325 CG GLU A 23 10.877 -8.418 -1.380 1.00 0.00 C ATOM 326 CD GLU A 23 11.589 -9.036 -2.567 1.00 0.00 C ATOM 327 OE1 GLU A 23 11.358 -8.572 -3.704 1.00 0.00 O ATOM 328 OE2 GLU A 23 12.377 -9.982 -2.360 1.00 0.00 O ATOM 0 H GLU A 23 8.656 -6.502 -0.882 1.00 0.00 H new ATOM 0 HA GLU A 23 10.963 -6.807 0.884 1.00 0.00 H new ATOM 0 HB2 GLU A 23 10.719 -6.419 -2.126 1.00 0.00 H new ATOM 0 HB3 GLU A 23 12.211 -6.748 -1.268 1.00 0.00 H new ATOM 0 HG2 GLU A 23 11.202 -8.917 -0.467 1.00 0.00 H new ATOM 0 HG3 GLU A 23 9.805 -8.591 -1.474 1.00 0.00 H new ATOM 335 N ASN A 24 12.138 -4.542 0.492 1.00 0.00 N ATOM 336 CA ASN A 24 12.609 -3.166 0.605 1.00 0.00 C ATOM 337 C ASN A 24 12.706 -2.510 -0.768 1.00 0.00 C ATOM 338 O ASN A 24 12.959 -3.178 -1.771 1.00 0.00 O ATOM 339 CB ASN A 24 13.972 -3.128 1.299 1.00 0.00 C ATOM 340 CG ASN A 24 13.851 -3.087 2.810 1.00 0.00 C ATOM 341 OD1 ASN A 24 13.316 -4.009 3.426 1.00 0.00 O ATOM 342 ND2 ASN A 24 14.349 -2.015 3.415 1.00 0.00 N ATOM 0 H ASN A 24 12.828 -5.247 0.750 1.00 0.00 H new ATOM 0 HA ASN A 24 11.888 -2.609 1.203 1.00 0.00 H new ATOM 0 HB2 ASN A 24 14.550 -4.005 1.007 1.00 0.00 H new ATOM 0 HB3 ASN A 24 14.526 -2.254 0.958 1.00 0.00 H new ATOM 0 HD21 ASN A 24 14.297 -1.932 4.430 1.00 0.00 H new ATOM 0 HD22 ASN A 24 14.784 -1.275 2.864 1.00 0.00 H new ATOM 349 N ASP A 25 12.504 -1.197 -0.806 1.00 0.00 N ATOM 350 CA ASP A 25 12.571 -0.449 -2.056 1.00 0.00 C ATOM 351 C ASP A 25 11.549 -0.975 -3.059 1.00 0.00 C ATOM 352 O ASP A 25 11.883 -1.259 -4.209 1.00 0.00 O ATOM 353 CB ASP A 25 13.977 -0.531 -2.650 1.00 0.00 C ATOM 354 CG ASP A 25 15.056 -0.233 -1.628 1.00 0.00 C ATOM 355 OD1 ASP A 25 15.271 0.958 -1.323 1.00 0.00 O ATOM 356 OD2 ASP A 25 15.687 -1.192 -1.133 1.00 0.00 O ATOM 0 H ASP A 25 12.293 -0.629 0.014 1.00 0.00 H new ATOM 0 HA ASP A 25 12.338 0.594 -1.840 1.00 0.00 H new ATOM 0 HB2 ASP A 25 14.136 -1.527 -3.062 1.00 0.00 H new ATOM 0 HB3 ASP A 25 14.060 0.173 -3.478 1.00 0.00 H new ATOM 361 N MET A 26 10.303 -1.104 -2.615 1.00 0.00 N ATOM 362 CA MET A 26 9.233 -1.597 -3.475 1.00 0.00 C ATOM 363 C MET A 26 8.115 -0.567 -3.595 1.00 0.00 C ATOM 364 O MET A 26 8.073 0.410 -2.846 1.00 0.00 O ATOM 365 CB MET A 26 8.674 -2.912 -2.927 1.00 0.00 C ATOM 366 CG MET A 26 9.384 -4.144 -3.463 1.00 0.00 C ATOM 367 SD MET A 26 8.648 -4.762 -4.988 1.00 0.00 S ATOM 368 CE MET A 26 7.204 -5.607 -4.348 1.00 0.00 C ATOM 0 H MET A 26 10.009 -0.874 -1.666 1.00 0.00 H new ATOM 0 HA MET A 26 9.649 -1.773 -4.467 1.00 0.00 H new ATOM 0 HB2 MET A 26 8.749 -2.904 -1.840 1.00 0.00 H new ATOM 0 HB3 MET A 26 7.614 -2.977 -3.173 1.00 0.00 H new ATOM 0 HG2 MET A 26 10.433 -3.905 -3.641 1.00 0.00 H new ATOM 0 HG3 MET A 26 9.360 -4.930 -2.708 1.00 0.00 H new ATOM 0 HE1 MET A 26 6.721 -6.162 -5.152 1.00 0.00 H new ATOM 0 HE2 MET A 26 7.506 -6.298 -3.560 1.00 0.00 H new ATOM 0 HE3 MET A 26 6.505 -4.876 -3.941 1.00 0.00 H new ATOM 378 N HIS A 27 7.210 -0.790 -4.543 1.00 0.00 N ATOM 379 CA HIS A 27 6.091 0.120 -4.761 1.00 0.00 C ATOM 380 C HIS A 27 4.761 -0.589 -4.523 1.00 0.00 C ATOM 381 O HIS A 27 4.540 -1.696 -5.015 1.00 0.00 O ATOM 382 CB HIS A 27 6.135 0.685 -6.181 1.00 0.00 C ATOM 383 CG HIS A 27 7.298 1.595 -6.428 1.00 0.00 C ATOM 384 ND1 HIS A 27 7.705 1.970 -7.691 1.00 0.00 N ATOM 385 CD2 HIS A 27 8.143 2.206 -5.565 1.00 0.00 C ATOM 386 CE1 HIS A 27 8.750 2.772 -7.594 1.00 0.00 C ATOM 387 NE2 HIS A 27 9.036 2.932 -6.314 1.00 0.00 N ATOM 0 H HIS A 27 7.230 -1.593 -5.172 1.00 0.00 H new ATOM 0 HA HIS A 27 6.177 0.941 -4.049 1.00 0.00 H new ATOM 0 HB2 HIS A 27 6.174 -0.141 -6.891 1.00 0.00 H new ATOM 0 HB3 HIS A 27 5.211 1.229 -6.375 1.00 0.00 H new ATOM 0 HD2 HIS A 27 8.119 2.136 -4.488 1.00 0.00 H new ATOM 0 HE1 HIS A 27 9.281 3.221 -8.421 1.00 0.00 H new ATOM 0 HE2 HIS A 27 9.796 3.502 -5.943 1.00 0.00 H new ATOM 395 N CYS A 28 3.880 0.056 -3.767 1.00 0.00 N ATOM 396 CA CYS A 28 2.572 -0.513 -3.463 1.00 0.00 C ATOM 397 C CYS A 28 1.547 0.586 -3.202 1.00 0.00 C ATOM 398 O CYS A 28 1.898 1.760 -3.087 1.00 0.00 O ATOM 399 CB CYS A 28 2.665 -1.438 -2.248 1.00 0.00 C ATOM 400 SG CYS A 28 3.608 -0.751 -0.867 1.00 0.00 S ATOM 0 H CYS A 28 4.047 0.973 -3.353 1.00 0.00 H new ATOM 0 HA CYS A 28 2.246 -1.091 -4.328 1.00 0.00 H new ATOM 0 HB2 CYS A 28 1.657 -1.672 -1.905 1.00 0.00 H new ATOM 0 HB3 CYS A 28 3.123 -2.378 -2.555 1.00 0.00 H new ATOM 0 HG CYS A 28 4.132 0.384 -1.222 1.00 0.00 H new ATOM 406 N ALA A 29 0.280 0.198 -3.112 1.00 0.00 N ATOM 407 CA ALA A 29 -0.796 1.150 -2.865 1.00 0.00 C ATOM 408 C ALA A 29 -1.393 0.955 -1.475 1.00 0.00 C ATOM 409 O ALA A 29 -2.005 -0.074 -1.190 1.00 0.00 O ATOM 410 CB ALA A 29 -1.875 1.016 -3.929 1.00 0.00 C ATOM 0 H ALA A 29 -0.027 -0.770 -3.206 1.00 0.00 H new ATOM 0 HA ALA A 29 -0.377 2.155 -2.914 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -2.672 1.733 -3.731 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -1.444 1.213 -4.911 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -2.283 0.005 -3.908 1.00 0.00 H new ATOM 416 N VAL A 30 -1.211 1.951 -0.613 1.00 0.00 N ATOM 417 CA VAL A 30 -1.733 1.889 0.747 1.00 0.00 C ATOM 418 C VAL A 30 -3.138 2.475 0.824 1.00 0.00 C ATOM 419 O VAL A 30 -3.448 3.464 0.159 1.00 0.00 O ATOM 420 CB VAL A 30 -0.820 2.642 1.733 1.00 0.00 C ATOM 421 CG1 VAL A 30 -0.334 3.947 1.121 1.00 0.00 C ATOM 422 CG2 VAL A 30 -1.548 2.896 3.044 1.00 0.00 C ATOM 0 H VAL A 30 -0.706 2.810 -0.833 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.766 0.836 1.025 1.00 0.00 H new ATOM 0 HB VAL A 30 0.051 2.021 1.942 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.310 4.465 1.832 1.00 0.00 H new ATOM 0 HG12 VAL A 30 0.227 3.735 0.211 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.190 4.577 0.881 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -0.889 3.429 3.729 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -2.438 3.497 2.856 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.840 1.944 3.488 1.00 0.00 H new ATOM 432 N LYS A 31 -3.986 1.859 1.641 1.00 0.00 N ATOM 433 CA LYS A 31 -5.359 2.320 1.808 1.00 0.00 C ATOM 434 C LYS A 31 -5.491 3.203 3.045 1.00 0.00 C ATOM 435 O LYS A 31 -5.114 2.803 4.147 1.00 0.00 O ATOM 436 CB LYS A 31 -6.310 1.125 1.917 1.00 0.00 C ATOM 437 CG LYS A 31 -7.752 1.518 2.187 1.00 0.00 C ATOM 438 CD LYS A 31 -8.662 0.302 2.236 1.00 0.00 C ATOM 439 CE LYS A 31 -9.866 0.543 3.133 1.00 0.00 C ATOM 440 NZ LYS A 31 -11.010 1.129 2.381 1.00 0.00 N ATOM 0 H LYS A 31 -3.746 1.039 2.198 1.00 0.00 H new ATOM 0 HA LYS A 31 -5.626 2.911 0.932 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -6.266 0.551 0.992 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -5.965 0.469 2.716 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -7.812 2.057 3.133 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -8.096 2.200 1.409 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -9.000 0.059 1.229 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -8.102 -0.559 2.601 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -10.174 -0.399 3.587 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -9.585 1.212 3.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -11.811 1.278 3.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -10.724 2.040 1.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -11.295 0.479 1.621 1.00 0.00 H new ATOM 454 N ILE A 32 -6.029 4.403 2.855 1.00 0.00 N ATOM 455 CA ILE A 32 -6.212 5.340 3.956 1.00 0.00 C ATOM 456 C ILE A 32 -7.435 4.976 4.791 1.00 0.00 C ATOM 457 O ILE A 32 -8.445 4.516 4.259 1.00 0.00 O ATOM 458 CB ILE A 32 -6.364 6.785 3.446 1.00 0.00 C ATOM 459 CG1 ILE A 32 -5.329 7.077 2.358 1.00 0.00 C ATOM 460 CG2 ILE A 32 -6.223 7.770 4.597 1.00 0.00 C ATOM 461 CD1 ILE A 32 -5.644 8.309 1.539 1.00 0.00 C ATOM 0 H ILE A 32 -6.346 4.749 1.949 1.00 0.00 H new ATOM 0 HA ILE A 32 -5.319 5.275 4.577 1.00 0.00 H new ATOM 0 HB ILE A 32 -7.358 6.900 3.015 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -4.351 7.200 2.822 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -5.260 6.216 1.693 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -6.333 8.787 4.221 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -6.995 7.573 5.341 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -5.240 7.656 5.055 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -4.868 8.454 0.787 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -6.608 8.181 1.046 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -5.684 9.180 2.193 1.00 0.00 H new ATOM 473 N GLN A 33 -7.336 5.186 6.099 1.00 0.00 N ATOM 474 CA GLN A 33 -8.436 4.881 7.007 1.00 0.00 C ATOM 475 C GLN A 33 -9.539 5.928 6.897 1.00 0.00 C ATOM 476 O GLN A 33 -10.590 5.677 6.306 1.00 0.00 O ATOM 477 CB GLN A 33 -7.929 4.806 8.448 1.00 0.00 C ATOM 478 CG GLN A 33 -7.202 3.511 8.771 1.00 0.00 C ATOM 479 CD GLN A 33 -8.145 2.401 9.193 1.00 0.00 C ATOM 480 OE1 GLN A 33 -8.285 2.108 10.381 1.00 0.00 O ATOM 481 NE2 GLN A 33 -8.798 1.777 8.220 1.00 0.00 N ATOM 0 H GLN A 33 -6.506 5.566 6.554 1.00 0.00 H new ATOM 0 HA GLN A 33 -8.850 3.913 6.724 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -7.258 5.645 8.632 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -8.774 4.918 9.128 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -6.636 3.189 7.897 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -6.481 3.693 9.568 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -8.651 2.053 7.249 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -9.446 1.022 8.443 1.00 0.00 H new ATOM 490 N ASP A 34 -9.294 7.101 7.469 1.00 0.00 N ATOM 491 CA ASP A 34 -10.267 8.187 7.435 1.00 0.00 C ATOM 492 C ASP A 34 -10.572 8.598 5.998 1.00 0.00 C ATOM 493 O ASP A 34 -11.722 8.860 5.647 1.00 0.00 O ATOM 494 CB ASP A 34 -9.748 9.390 8.224 1.00 0.00 C ATOM 495 CG ASP A 34 -8.668 10.149 7.478 1.00 0.00 C ATOM 496 OD1 ASP A 34 -9.013 11.071 6.710 1.00 0.00 O ATOM 497 OD2 ASP A 34 -7.477 9.820 7.662 1.00 0.00 O ATOM 0 H ASP A 34 -8.430 7.325 7.962 1.00 0.00 H new ATOM 0 HA ASP A 34 -11.189 7.831 7.895 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -10.577 10.063 8.441 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -9.354 9.050 9.182 1.00 0.00 H new ATOM 502 N LYS A 35 -9.533 8.653 5.171 1.00 0.00 N ATOM 503 CA LYS A 35 -9.688 9.032 3.771 1.00 0.00 C ATOM 504 C LYS A 35 -10.096 7.831 2.924 1.00 0.00 C ATOM 505 O LYS A 35 -9.749 6.693 3.237 1.00 0.00 O ATOM 506 CB LYS A 35 -8.385 9.629 3.236 1.00 0.00 C ATOM 507 CG LYS A 35 -8.594 10.674 2.154 1.00 0.00 C ATOM 508 CD LYS A 35 -8.711 12.070 2.742 1.00 0.00 C ATOM 509 CE LYS A 35 -7.345 12.712 2.927 1.00 0.00 C ATOM 510 NZ LYS A 35 -7.389 13.836 3.904 1.00 0.00 N ATOM 0 H LYS A 35 -8.574 8.440 5.446 1.00 0.00 H new ATOM 0 HA LYS A 35 -10.476 9.782 3.708 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -7.835 10.079 4.063 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -7.763 8.826 2.839 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -7.761 10.643 1.451 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -9.496 10.439 1.590 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -9.321 12.692 2.087 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -9.224 12.020 3.702 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -6.634 11.960 3.270 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -6.983 13.079 1.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -6.439 14.248 4.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -8.049 14.565 3.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -7.710 13.481 4.827 1.00 0.00 H new ATOM 524 N ASN A 36 -10.833 8.093 1.850 1.00 0.00 N ATOM 525 CA ASN A 36 -11.287 7.032 0.957 1.00 0.00 C ATOM 526 C ASN A 36 -10.549 7.092 -0.377 1.00 0.00 C ATOM 527 O ASN A 36 -11.125 6.812 -1.428 1.00 0.00 O ATOM 528 CB ASN A 36 -12.795 7.143 0.725 1.00 0.00 C ATOM 529 CG ASN A 36 -13.599 6.440 1.801 1.00 0.00 C ATOM 530 OD1 ASN A 36 -13.044 5.743 2.651 1.00 0.00 O ATOM 531 ND2 ASN A 36 -14.914 6.621 1.770 1.00 0.00 N ATOM 0 H ASN A 36 -11.129 9.030 1.576 1.00 0.00 H new ATOM 0 HA ASN A 36 -11.069 6.074 1.430 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -13.078 8.195 0.693 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -13.043 6.716 -0.247 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -15.507 6.174 2.469 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -15.331 7.207 1.047 1.00 0.00 H new ATOM 538 N GLN A 37 -9.273 7.459 -0.326 1.00 0.00 N ATOM 539 CA GLN A 37 -8.457 7.555 -1.531 1.00 0.00 C ATOM 540 C GLN A 37 -7.231 6.653 -1.432 1.00 0.00 C ATOM 541 O GLN A 37 -6.538 6.641 -0.414 1.00 0.00 O ATOM 542 CB GLN A 37 -8.022 9.003 -1.763 1.00 0.00 C ATOM 543 CG GLN A 37 -7.819 9.350 -3.229 1.00 0.00 C ATOM 544 CD GLN A 37 -8.024 10.824 -3.514 1.00 0.00 C ATOM 545 OE1 GLN A 37 -9.156 11.306 -3.573 1.00 0.00 O ATOM 546 NE2 GLN A 37 -6.927 11.551 -3.693 1.00 0.00 N ATOM 0 H GLN A 37 -8.782 7.695 0.536 1.00 0.00 H new ATOM 0 HA GLN A 37 -9.061 7.224 -2.376 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -8.773 9.671 -1.341 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -7.093 9.185 -1.223 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -6.812 9.062 -3.530 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -8.512 8.767 -3.836 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -6.009 11.111 -3.635 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -7.003 12.549 -3.888 1.00 0.00 H new ATOM 555 N TRP A 38 -6.970 5.900 -2.494 1.00 0.00 N ATOM 556 CA TRP A 38 -5.827 4.994 -2.526 1.00 0.00 C ATOM 557 C TRP A 38 -4.556 5.736 -2.924 1.00 0.00 C ATOM 558 O TRP A 38 -4.488 6.339 -3.996 1.00 0.00 O ATOM 559 CB TRP A 38 -6.089 3.845 -3.501 1.00 0.00 C ATOM 560 CG TRP A 38 -6.977 2.777 -2.936 1.00 0.00 C ATOM 561 CD1 TRP A 38 -8.342 2.745 -2.968 1.00 0.00 C ATOM 562 CD2 TRP A 38 -6.561 1.590 -2.254 1.00 0.00 C ATOM 563 NE1 TRP A 38 -8.799 1.608 -2.347 1.00 0.00 N ATOM 564 CE2 TRP A 38 -7.727 0.882 -1.901 1.00 0.00 C ATOM 565 CE3 TRP A 38 -5.318 1.053 -1.908 1.00 0.00 C ATOM 566 CZ2 TRP A 38 -7.684 -0.331 -1.219 1.00 0.00 C ATOM 567 CZ3 TRP A 38 -5.276 -0.151 -1.231 1.00 0.00 C ATOM 568 CH2 TRP A 38 -6.453 -0.832 -0.893 1.00 0.00 C ATOM 0 H TRP A 38 -7.534 5.898 -3.344 1.00 0.00 H new ATOM 0 HA TRP A 38 -5.689 4.587 -1.524 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -6.544 4.244 -4.408 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -5.137 3.400 -3.791 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -8.969 3.502 -3.415 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -9.779 1.347 -2.236 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -4.406 1.570 -2.165 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -8.590 -0.858 -0.957 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -4.320 -0.574 -0.958 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -6.387 -1.771 -0.364 1.00 0.00 H new ATOM 579 N ARG A 39 -3.551 5.687 -2.056 1.00 0.00 N ATOM 580 CA ARG A 39 -2.282 6.356 -2.318 1.00 0.00 C ATOM 581 C ARG A 39 -1.182 5.339 -2.609 1.00 0.00 C ATOM 582 O ARG A 39 -1.435 4.136 -2.669 1.00 0.00 O ATOM 583 CB ARG A 39 -1.885 7.227 -1.125 1.00 0.00 C ATOM 584 CG ARG A 39 -2.776 8.443 -0.935 1.00 0.00 C ATOM 585 CD ARG A 39 -2.218 9.661 -1.654 1.00 0.00 C ATOM 586 NE ARG A 39 -2.659 9.726 -3.044 1.00 0.00 N ATOM 587 CZ ARG A 39 -1.990 9.181 -4.054 1.00 0.00 C ATOM 588 NH1 ARG A 39 -0.855 8.534 -3.829 1.00 0.00 N ATOM 589 NH2 ARG A 39 -2.456 9.282 -5.292 1.00 0.00 N ATOM 0 H ARG A 39 -3.591 5.191 -1.165 1.00 0.00 H new ATOM 0 HA ARG A 39 -2.408 6.990 -3.196 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -1.913 6.622 -0.219 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -0.855 7.559 -1.255 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -3.776 8.225 -1.310 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -2.874 8.661 0.129 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -2.531 10.565 -1.132 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -1.129 9.634 -1.620 1.00 0.00 H new ATOM 0 HE ARG A 39 -3.529 10.217 -3.251 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -0.493 8.454 -2.879 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -0.343 8.116 -4.606 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -3.329 9.779 -5.469 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -1.941 8.863 -6.066 1.00 0.00 H new ATOM 603 N ARG A 40 0.039 5.832 -2.789 1.00 0.00 N ATOM 604 CA ARG A 40 1.177 4.967 -3.075 1.00 0.00 C ATOM 605 C ARG A 40 2.250 5.107 -1.999 1.00 0.00 C ATOM 606 O ARG A 40 2.465 6.191 -1.459 1.00 0.00 O ATOM 607 CB ARG A 40 1.768 5.303 -4.446 1.00 0.00 C ATOM 608 CG ARG A 40 1.085 4.582 -5.597 1.00 0.00 C ATOM 609 CD ARG A 40 1.555 5.111 -6.943 1.00 0.00 C ATOM 610 NE ARG A 40 0.628 4.770 -8.019 1.00 0.00 N ATOM 611 CZ ARG A 40 0.972 4.731 -9.301 1.00 0.00 C ATOM 612 NH1 ARG A 40 2.216 5.010 -9.665 1.00 0.00 N ATOM 613 NH2 ARG A 40 0.072 4.412 -10.222 1.00 0.00 N ATOM 0 H ARG A 40 0.265 6.825 -2.742 1.00 0.00 H new ATOM 0 HA ARG A 40 0.825 3.935 -3.081 1.00 0.00 H new ATOM 0 HB2 ARG A 40 1.697 6.378 -4.609 1.00 0.00 H new ATOM 0 HB3 ARG A 40 2.828 5.049 -4.447 1.00 0.00 H new ATOM 0 HG2 ARG A 40 1.292 3.514 -5.532 1.00 0.00 H new ATOM 0 HG3 ARG A 40 0.005 4.703 -5.514 1.00 0.00 H new ATOM 0 HD2 ARG A 40 1.665 6.194 -6.889 1.00 0.00 H new ATOM 0 HD3 ARG A 40 2.540 4.702 -7.170 1.00 0.00 H new ATOM 0 HE ARG A 40 -0.337 4.550 -7.772 1.00 0.00 H new ATOM 0 HH11 ARG A 40 2.911 5.255 -8.960 1.00 0.00 H new ATOM 0 HH12 ARG A 40 2.478 4.979 -10.650 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -0.886 4.196 -9.946 1.00 0.00 H new ATOM 0 HH22 ARG A 40 0.338 4.383 -11.206 1.00 0.00 H new ATOM 627 N GLY A 41 2.921 4.000 -1.693 1.00 0.00 N ATOM 628 CA GLY A 41 3.963 4.020 -0.683 1.00 0.00 C ATOM 629 C GLY A 41 5.157 3.169 -1.064 1.00 0.00 C ATOM 630 O GLY A 41 5.025 2.210 -1.825 1.00 0.00 O ATOM 0 H GLY A 41 2.761 3.091 -2.126 1.00 0.00 H new ATOM 0 HA2 GLY A 41 4.290 5.048 -0.523 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.554 3.664 0.263 1.00 0.00 H new ATOM 634 N GLN A 42 6.325 3.520 -0.536 1.00 0.00 N ATOM 635 CA GLN A 42 7.548 2.781 -0.829 1.00 0.00 C ATOM 636 C GLN A 42 7.979 1.944 0.371 1.00 0.00 C ATOM 637 O GLN A 42 8.308 2.482 1.429 1.00 0.00 O ATOM 638 CB GLN A 42 8.669 3.744 -1.223 1.00 0.00 C ATOM 639 CG GLN A 42 9.969 3.047 -1.591 1.00 0.00 C ATOM 640 CD GLN A 42 11.132 4.011 -1.716 1.00 0.00 C ATOM 641 OE1 GLN A 42 11.318 4.891 -0.875 1.00 0.00 O ATOM 642 NE2 GLN A 42 11.925 3.849 -2.769 1.00 0.00 N ATOM 0 H GLN A 42 6.451 4.311 0.096 1.00 0.00 H new ATOM 0 HA GLN A 42 7.346 2.110 -1.663 1.00 0.00 H new ATOM 0 HB2 GLN A 42 8.338 4.347 -2.068 1.00 0.00 H new ATOM 0 HB3 GLN A 42 8.855 4.429 -0.396 1.00 0.00 H new ATOM 0 HG2 GLN A 42 10.202 2.298 -0.834 1.00 0.00 H new ATOM 0 HG3 GLN A 42 9.838 2.517 -2.534 1.00 0.00 H new ATOM 0 HE21 GLN A 42 11.734 3.106 -3.442 1.00 0.00 H new ATOM 0 HE22 GLN A 42 12.725 4.467 -2.905 1.00 0.00 H new ATOM 651 N ILE A 43 7.973 0.627 0.201 1.00 0.00 N ATOM 652 CA ILE A 43 8.364 -0.283 1.270 1.00 0.00 C ATOM 653 C ILE A 43 9.673 0.158 1.916 1.00 0.00 C ATOM 654 O ILE A 43 10.756 -0.224 1.472 1.00 0.00 O ATOM 655 CB ILE A 43 8.521 -1.726 0.752 1.00 0.00 C ATOM 656 CG1 ILE A 43 7.216 -2.206 0.115 1.00 0.00 C ATOM 657 CG2 ILE A 43 8.936 -2.652 1.885 1.00 0.00 C ATOM 658 CD1 ILE A 43 6.058 -2.275 1.086 1.00 0.00 C ATOM 0 H ILE A 43 7.702 0.166 -0.667 1.00 0.00 H new ATOM 0 HA ILE A 43 7.567 -0.257 2.014 1.00 0.00 H new ATOM 0 HB ILE A 43 9.302 -1.742 -0.008 1.00 0.00 H new ATOM 0 HG12 ILE A 43 6.953 -1.536 -0.704 1.00 0.00 H new ATOM 0 HG13 ILE A 43 7.375 -3.193 -0.319 1.00 0.00 H new ATOM 0 HG21 ILE A 43 9.043 -3.668 1.504 1.00 0.00 H new ATOM 0 HG22 ILE A 43 9.887 -2.317 2.298 1.00 0.00 H new ATOM 0 HG23 ILE A 43 8.175 -2.635 2.666 1.00 0.00 H new ATOM 0 HD11 ILE A 43 5.166 -2.623 0.565 1.00 0.00 H new ATOM 0 HD12 ILE A 43 6.300 -2.967 1.892 1.00 0.00 H new ATOM 0 HD13 ILE A 43 5.872 -1.285 1.502 1.00 0.00 H new ATOM 670 N ILE A 44 9.565 0.962 2.968 1.00 0.00 N ATOM 671 CA ILE A 44 10.739 1.453 3.678 1.00 0.00 C ATOM 672 C ILE A 44 11.423 0.330 4.451 1.00 0.00 C ATOM 673 O ILE A 44 12.540 -0.071 4.125 1.00 0.00 O ATOM 674 CB ILE A 44 10.374 2.586 4.655 1.00 0.00 C ATOM 675 CG1 ILE A 44 9.895 3.818 3.886 1.00 0.00 C ATOM 676 CG2 ILE A 44 11.568 2.933 5.533 1.00 0.00 C ATOM 677 CD1 ILE A 44 9.572 4.998 4.775 1.00 0.00 C ATOM 0 H ILE A 44 8.676 1.287 3.348 1.00 0.00 H new ATOM 0 HA ILE A 44 11.424 1.842 2.924 1.00 0.00 H new ATOM 0 HB ILE A 44 9.562 2.245 5.297 1.00 0.00 H new ATOM 0 HG12 ILE A 44 10.664 4.112 3.171 1.00 0.00 H new ATOM 0 HG13 ILE A 44 9.008 3.554 3.310 1.00 0.00 H new ATOM 0 HG21 ILE A 44 11.295 3.735 6.218 1.00 0.00 H new ATOM 0 HG22 ILE A 44 11.867 2.054 6.104 1.00 0.00 H new ATOM 0 HG23 ILE A 44 12.398 3.258 4.906 1.00 0.00 H new ATOM 0 HD11 ILE A 44 9.239 5.835 4.162 1.00 0.00 H new ATOM 0 HD12 ILE A 44 8.781 4.722 5.473 1.00 0.00 H new ATOM 0 HD13 ILE A 44 10.463 5.288 5.332 1.00 0.00 H new ATOM 689 N ARG A 45 10.744 -0.174 5.476 1.00 0.00 N ATOM 690 CA ARG A 45 11.286 -1.251 6.296 1.00 0.00 C ATOM 691 C ARG A 45 10.173 -1.972 7.051 1.00 0.00 C ATOM 692 O ARG A 45 9.393 -1.349 7.770 1.00 0.00 O ATOM 693 CB ARG A 45 12.314 -0.700 7.285 1.00 0.00 C ATOM 694 CG ARG A 45 11.696 -0.128 8.551 1.00 0.00 C ATOM 695 CD ARG A 45 12.682 0.750 9.305 1.00 0.00 C ATOM 696 NE ARG A 45 13.580 -0.035 10.149 1.00 0.00 N ATOM 697 CZ ARG A 45 14.535 0.500 10.901 1.00 0.00 C ATOM 698 NH1 ARG A 45 14.717 1.813 10.914 1.00 0.00 N ATOM 699 NH2 ARG A 45 15.312 -0.280 11.642 1.00 0.00 N ATOM 0 H ARG A 45 9.818 0.146 5.759 1.00 0.00 H new ATOM 0 HA ARG A 45 11.776 -1.966 5.635 1.00 0.00 H new ATOM 0 HB2 ARG A 45 13.007 -1.496 7.557 1.00 0.00 H new ATOM 0 HB3 ARG A 45 12.899 0.077 6.793 1.00 0.00 H new ATOM 0 HG2 ARG A 45 10.811 0.454 8.294 1.00 0.00 H new ATOM 0 HG3 ARG A 45 11.365 -0.942 9.196 1.00 0.00 H new ATOM 0 HD2 ARG A 45 13.269 1.330 8.593 1.00 0.00 H new ATOM 0 HD3 ARG A 45 12.135 1.462 9.922 1.00 0.00 H new ATOM 0 HE ARG A 45 13.467 -1.049 10.161 1.00 0.00 H new ATOM 0 HH11 ARG A 45 14.123 2.416 10.345 1.00 0.00 H new ATOM 0 HH12 ARG A 45 15.451 2.220 11.493 1.00 0.00 H new ATOM 0 HH21 ARG A 45 15.176 -1.291 11.634 1.00 0.00 H new ATOM 0 HH22 ARG A 45 16.045 0.131 12.219 1.00 0.00 H new ATOM 713 N MET A 46 10.106 -3.288 6.881 1.00 0.00 N ATOM 714 CA MET A 46 9.089 -4.094 7.547 1.00 0.00 C ATOM 715 C MET A 46 9.315 -4.116 9.056 1.00 0.00 C ATOM 716 O MET A 46 10.352 -4.578 9.532 1.00 0.00 O ATOM 717 CB MET A 46 9.098 -5.522 6.998 1.00 0.00 C ATOM 718 CG MET A 46 8.521 -5.637 5.596 1.00 0.00 C ATOM 719 SD MET A 46 8.002 -7.316 5.195 1.00 0.00 S ATOM 720 CE MET A 46 6.804 -7.619 6.492 1.00 0.00 C ATOM 0 H MET A 46 10.744 -3.819 6.288 1.00 0.00 H new ATOM 0 HA MET A 46 8.117 -3.643 7.349 1.00 0.00 H new ATOM 0 HB2 MET A 46 10.123 -5.894 6.992 1.00 0.00 H new ATOM 0 HB3 MET A 46 8.529 -6.165 7.670 1.00 0.00 H new ATOM 0 HG2 MET A 46 7.668 -4.965 5.502 1.00 0.00 H new ATOM 0 HG3 MET A 46 9.267 -5.309 4.872 1.00 0.00 H new ATOM 0 HE1 MET A 46 7.130 -8.464 7.099 1.00 0.00 H new ATOM 0 HE2 MET A 46 6.717 -6.733 7.121 1.00 0.00 H new ATOM 0 HE3 MET A 46 5.835 -7.845 6.047 1.00 0.00 H new ATOM 730 N VAL A 47 8.338 -3.612 9.804 1.00 0.00 N ATOM 731 CA VAL A 47 8.430 -3.575 11.258 1.00 0.00 C ATOM 732 C VAL A 47 8.045 -4.918 11.868 1.00 0.00 C ATOM 733 O VAL A 47 8.892 -5.639 12.397 1.00 0.00 O ATOM 734 CB VAL A 47 7.526 -2.477 11.850 1.00 0.00 C ATOM 735 CG1 VAL A 47 7.693 -2.403 13.360 1.00 0.00 C ATOM 736 CG2 VAL A 47 7.830 -1.133 11.206 1.00 0.00 C ATOM 0 H VAL A 47 7.474 -3.224 9.426 1.00 0.00 H new ATOM 0 HA VAL A 47 9.468 -3.352 11.503 1.00 0.00 H new ATOM 0 HB VAL A 47 6.488 -2.731 11.636 1.00 0.00 H new ATOM 0 HG11 VAL A 47 7.046 -1.622 13.760 1.00 0.00 H new ATOM 0 HG12 VAL A 47 7.421 -3.361 13.803 1.00 0.00 H new ATOM 0 HG13 VAL A 47 8.731 -2.173 13.600 1.00 0.00 H new ATOM 0 HG21 VAL A 47 7.182 -0.369 11.636 1.00 0.00 H new ATOM 0 HG22 VAL A 47 8.872 -0.870 11.388 1.00 0.00 H new ATOM 0 HG23 VAL A 47 7.654 -1.196 10.132 1.00 0.00 H new ATOM 746 N THR A 48 6.760 -5.250 11.791 1.00 0.00 N ATOM 747 CA THR A 48 6.261 -6.507 12.335 1.00 0.00 C ATOM 748 C THR A 48 5.680 -7.390 11.237 1.00 0.00 C ATOM 749 O THR A 48 5.681 -7.018 10.063 1.00 0.00 O ATOM 750 CB THR A 48 5.183 -6.265 13.409 1.00 0.00 C ATOM 751 OG1 THR A 48 4.054 -5.602 12.828 1.00 0.00 O ATOM 752 CG2 THR A 48 5.736 -5.429 14.553 1.00 0.00 C ATOM 0 H THR A 48 6.046 -4.665 11.357 1.00 0.00 H new ATOM 0 HA THR A 48 7.111 -7.014 12.792 1.00 0.00 H new ATOM 0 HB THR A 48 4.872 -7.232 13.805 1.00 0.00 H new ATOM 0 HG1 THR A 48 3.233 -6.079 13.071 1.00 0.00 H new ATOM 0 HG21 THR A 48 4.957 -5.272 15.298 1.00 0.00 H new ATOM 0 HG22 THR A 48 6.577 -5.950 15.011 1.00 0.00 H new ATOM 0 HG23 THR A 48 6.072 -4.465 14.170 1.00 0.00 H new ATOM 760 N ASP A 49 5.185 -8.559 11.626 1.00 0.00 N ATOM 761 CA ASP A 49 4.598 -9.495 10.673 1.00 0.00 C ATOM 762 C ASP A 49 3.257 -8.980 10.160 1.00 0.00 C ATOM 763 O ASP A 49 2.674 -9.547 9.236 1.00 0.00 O ATOM 764 CB ASP A 49 4.417 -10.869 11.321 1.00 0.00 C ATOM 765 CG ASP A 49 3.192 -10.931 12.213 1.00 0.00 C ATOM 766 OD1 ASP A 49 3.226 -10.338 13.311 1.00 0.00 O ATOM 767 OD2 ASP A 49 2.199 -11.573 11.811 1.00 0.00 O ATOM 0 H ASP A 49 5.178 -8.882 12.594 1.00 0.00 H new ATOM 0 HA ASP A 49 5.278 -9.588 9.827 1.00 0.00 H new ATOM 0 HB2 ASP A 49 4.335 -11.627 10.542 1.00 0.00 H new ATOM 0 HB3 ASP A 49 5.303 -11.110 11.908 1.00 0.00 H new ATOM 772 N THR A 50 2.772 -7.901 10.767 1.00 0.00 N ATOM 773 CA THR A 50 1.499 -7.311 10.374 1.00 0.00 C ATOM 774 C THR A 50 1.656 -5.829 10.054 1.00 0.00 C ATOM 775 O THR A 50 0.754 -5.205 9.493 1.00 0.00 O ATOM 776 CB THR A 50 0.438 -7.476 11.479 1.00 0.00 C ATOM 777 OG1 THR A 50 0.942 -6.973 12.721 1.00 0.00 O ATOM 778 CG2 THR A 50 0.046 -8.937 11.639 1.00 0.00 C ATOM 0 H THR A 50 3.242 -7.418 11.533 1.00 0.00 H new ATOM 0 HA THR A 50 1.168 -7.840 9.481 1.00 0.00 H new ATOM 0 HB THR A 50 -0.447 -6.909 11.190 1.00 0.00 H new ATOM 0 HG1 THR A 50 0.261 -7.080 13.418 1.00 0.00 H new ATOM 0 HG21 THR A 50 -0.704 -9.029 12.425 1.00 0.00 H new ATOM 0 HG22 THR A 50 -0.365 -9.308 10.700 1.00 0.00 H new ATOM 0 HG23 THR A 50 0.925 -9.522 11.907 1.00 0.00 H new ATOM 786 N LEU A 51 2.807 -5.270 10.411 1.00 0.00 N ATOM 787 CA LEU A 51 3.083 -3.859 10.161 1.00 0.00 C ATOM 788 C LEU A 51 4.253 -3.697 9.197 1.00 0.00 C ATOM 789 O LEU A 51 5.113 -4.572 9.094 1.00 0.00 O ATOM 790 CB LEU A 51 3.385 -3.137 11.475 1.00 0.00 C ATOM 791 CG LEU A 51 2.335 -3.280 12.577 1.00 0.00 C ATOM 792 CD1 LEU A 51 2.905 -2.844 13.917 1.00 0.00 C ATOM 793 CD2 LEU A 51 1.091 -2.471 12.235 1.00 0.00 C ATOM 0 H LEU A 51 3.564 -5.772 10.875 1.00 0.00 H new ATOM 0 HA LEU A 51 2.197 -3.415 9.706 1.00 0.00 H new ATOM 0 HB2 LEU A 51 4.337 -3.505 11.858 1.00 0.00 H new ATOM 0 HB3 LEU A 51 3.516 -2.076 11.261 1.00 0.00 H new ATOM 0 HG LEU A 51 2.053 -4.330 12.651 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.143 -2.953 14.689 1.00 0.00 H new ATOM 0 HD12 LEU A 51 3.765 -3.465 14.166 1.00 0.00 H new ATOM 0 HD13 LEU A 51 3.216 -1.801 13.858 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.354 -2.584 13.030 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.358 -1.419 12.134 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.670 -2.830 11.296 1.00 0.00 H new ATOM 805 N VAL A 52 4.281 -2.569 8.493 1.00 0.00 N ATOM 806 CA VAL A 52 5.348 -2.290 7.539 1.00 0.00 C ATOM 807 C VAL A 52 5.510 -0.790 7.320 1.00 0.00 C ATOM 808 O VAL A 52 4.529 -0.072 7.127 1.00 0.00 O ATOM 809 CB VAL A 52 5.081 -2.970 6.183 1.00 0.00 C ATOM 810 CG1 VAL A 52 5.981 -2.384 5.106 1.00 0.00 C ATOM 811 CG2 VAL A 52 5.279 -4.474 6.294 1.00 0.00 C ATOM 0 H VAL A 52 3.577 -1.834 8.566 1.00 0.00 H new ATOM 0 HA VAL A 52 6.267 -2.694 7.964 1.00 0.00 H new ATOM 0 HB VAL A 52 4.045 -2.783 5.899 1.00 0.00 H new ATOM 0 HG11 VAL A 52 5.778 -2.876 4.155 1.00 0.00 H new ATOM 0 HG12 VAL A 52 5.786 -1.316 5.010 1.00 0.00 H new ATOM 0 HG13 VAL A 52 7.025 -2.539 5.380 1.00 0.00 H new ATOM 0 HG21 VAL A 52 5.086 -4.939 5.327 1.00 0.00 H new ATOM 0 HG22 VAL A 52 6.304 -4.684 6.600 1.00 0.00 H new ATOM 0 HG23 VAL A 52 4.589 -4.878 7.035 1.00 0.00 H new ATOM 821 N GLU A 53 6.754 -0.323 7.350 1.00 0.00 N ATOM 822 CA GLU A 53 7.044 1.092 7.154 1.00 0.00 C ATOM 823 C GLU A 53 7.129 1.430 5.669 1.00 0.00 C ATOM 824 O GLU A 53 7.916 0.838 4.930 1.00 0.00 O ATOM 825 CB GLU A 53 8.354 1.469 7.850 1.00 0.00 C ATOM 826 CG GLU A 53 8.401 2.913 8.318 1.00 0.00 C ATOM 827 CD GLU A 53 9.397 3.130 9.441 1.00 0.00 C ATOM 828 OE1 GLU A 53 9.933 2.130 9.961 1.00 0.00 O ATOM 829 OE2 GLU A 53 9.640 4.302 9.799 1.00 0.00 O ATOM 0 H GLU A 53 7.577 -0.904 7.508 1.00 0.00 H new ATOM 0 HA GLU A 53 6.229 1.667 7.594 1.00 0.00 H new ATOM 0 HB2 GLU A 53 8.502 0.813 8.708 1.00 0.00 H new ATOM 0 HB3 GLU A 53 9.184 1.291 7.166 1.00 0.00 H new ATOM 0 HG2 GLU A 53 8.662 3.555 7.477 1.00 0.00 H new ATOM 0 HG3 GLU A 53 7.409 3.215 8.654 1.00 0.00 H new ATOM 836 N VAL A 54 6.312 2.386 5.238 1.00 0.00 N ATOM 837 CA VAL A 54 6.294 2.804 3.841 1.00 0.00 C ATOM 838 C VAL A 54 6.448 4.316 3.718 1.00 0.00 C ATOM 839 O VAL A 54 6.202 5.056 4.671 1.00 0.00 O ATOM 840 CB VAL A 54 4.991 2.373 3.143 1.00 0.00 C ATOM 841 CG1 VAL A 54 5.050 0.902 2.760 1.00 0.00 C ATOM 842 CG2 VAL A 54 3.791 2.652 4.036 1.00 0.00 C ATOM 0 H VAL A 54 5.654 2.886 5.836 1.00 0.00 H new ATOM 0 HA VAL A 54 7.137 2.315 3.353 1.00 0.00 H new ATOM 0 HB VAL A 54 4.879 2.957 2.229 1.00 0.00 H new ATOM 0 HG11 VAL A 54 4.120 0.617 2.268 1.00 0.00 H new ATOM 0 HG12 VAL A 54 5.886 0.736 2.080 1.00 0.00 H new ATOM 0 HG13 VAL A 54 5.186 0.298 3.657 1.00 0.00 H new ATOM 0 HG21 VAL A 54 2.879 2.341 3.527 1.00 0.00 H new ATOM 0 HG22 VAL A 54 3.894 2.096 4.968 1.00 0.00 H new ATOM 0 HG23 VAL A 54 3.740 3.719 4.254 1.00 0.00 H new ATOM 852 N LEU A 55 6.857 4.769 2.538 1.00 0.00 N ATOM 853 CA LEU A 55 7.044 6.194 2.288 1.00 0.00 C ATOM 854 C LEU A 55 6.126 6.676 1.170 1.00 0.00 C ATOM 855 O LEU A 55 6.181 6.173 0.046 1.00 0.00 O ATOM 856 CB LEU A 55 8.502 6.482 1.926 1.00 0.00 C ATOM 857 CG LEU A 55 8.761 7.787 1.173 1.00 0.00 C ATOM 858 CD1 LEU A 55 8.276 8.978 1.985 1.00 0.00 C ATOM 859 CD2 LEU A 55 10.241 7.929 0.846 1.00 0.00 C ATOM 0 H LEU A 55 7.066 4.170 1.739 1.00 0.00 H new ATOM 0 HA LEU A 55 6.789 6.734 3.200 1.00 0.00 H new ATOM 0 HB2 LEU A 55 9.088 6.494 2.845 1.00 0.00 H new ATOM 0 HB3 LEU A 55 8.875 5.656 1.320 1.00 0.00 H new ATOM 0 HG LEU A 55 8.203 7.761 0.237 1.00 0.00 H new ATOM 0 HD11 LEU A 55 8.469 9.898 1.433 1.00 0.00 H new ATOM 0 HD12 LEU A 55 7.206 8.882 2.168 1.00 0.00 H new ATOM 0 HD13 LEU A 55 8.805 9.009 2.937 1.00 0.00 H new ATOM 0 HD21 LEU A 55 10.407 8.863 0.310 1.00 0.00 H new ATOM 0 HD22 LEU A 55 10.819 7.933 1.770 1.00 0.00 H new ATOM 0 HD23 LEU A 55 10.558 7.092 0.223 1.00 0.00 H new ATOM 871 N LEU A 56 5.283 7.654 1.483 1.00 0.00 N ATOM 872 CA LEU A 56 4.354 8.207 0.503 1.00 0.00 C ATOM 873 C LEU A 56 5.075 9.135 -0.468 1.00 0.00 C ATOM 874 O LEU A 56 4.627 10.253 -0.723 1.00 0.00 O ATOM 875 CB LEU A 56 3.228 8.964 1.210 1.00 0.00 C ATOM 876 CG LEU A 56 2.559 8.237 2.377 1.00 0.00 C ATOM 877 CD1 LEU A 56 1.518 9.129 3.035 1.00 0.00 C ATOM 878 CD2 LEU A 56 1.928 6.936 1.904 1.00 0.00 C ATOM 0 H LEU A 56 5.223 8.081 2.408 1.00 0.00 H new ATOM 0 HA LEU A 56 3.927 7.380 -0.064 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.628 9.909 1.578 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.463 9.207 0.473 1.00 0.00 H new ATOM 0 HG LEU A 56 3.323 7.998 3.117 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.052 8.595 3.863 1.00 0.00 H new ATOM 0 HD12 LEU A 56 1.998 10.033 3.410 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.756 9.400 2.304 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.457 6.432 2.748 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.177 7.151 1.144 1.00 0.00 H new ATOM 0 HD23 LEU A 56 2.698 6.291 1.480 1.00 0.00 H new ATOM 890 N TYR A 57 6.192 8.663 -1.010 1.00 0.00 N ATOM 891 CA TYR A 57 6.976 9.451 -1.954 1.00 0.00 C ATOM 892 C TYR A 57 6.068 10.271 -2.865 1.00 0.00 C ATOM 893 O TYR A 57 6.447 11.344 -3.335 1.00 0.00 O ATOM 894 CB TYR A 57 7.870 8.538 -2.794 1.00 0.00 C ATOM 895 CG TYR A 57 7.118 7.417 -3.478 1.00 0.00 C ATOM 896 CD1 TYR A 57 6.924 6.197 -2.842 1.00 0.00 C ATOM 897 CD2 TYR A 57 6.604 7.579 -4.758 1.00 0.00 C ATOM 898 CE1 TYR A 57 6.238 5.170 -3.463 1.00 0.00 C ATOM 899 CE2 TYR A 57 5.916 6.558 -5.385 1.00 0.00 C ATOM 900 CZ TYR A 57 5.736 5.356 -4.734 1.00 0.00 C ATOM 901 OH TYR A 57 5.053 4.336 -5.356 1.00 0.00 O ATOM 0 H TYR A 57 6.575 7.739 -0.812 1.00 0.00 H new ATOM 0 HA TYR A 57 7.603 10.137 -1.383 1.00 0.00 H new ATOM 0 HB2 TYR A 57 8.379 9.137 -3.549 1.00 0.00 H new ATOM 0 HB3 TYR A 57 8.641 8.109 -2.154 1.00 0.00 H new ATOM 0 HD1 TYR A 57 7.315 6.049 -1.846 1.00 0.00 H new ATOM 0 HD2 TYR A 57 6.744 8.519 -5.272 1.00 0.00 H new ATOM 0 HE1 TYR A 57 6.096 4.227 -2.956 1.00 0.00 H new ATOM 0 HE2 TYR A 57 5.521 6.701 -6.380 1.00 0.00 H new ATOM 0 HH TYR A 57 4.765 4.630 -6.245 1.00 0.00 H new ATOM 911 N ASP A 58 4.867 9.758 -3.109 1.00 0.00 N ATOM 912 CA ASP A 58 3.902 10.442 -3.962 1.00 0.00 C ATOM 913 C ASP A 58 3.598 11.838 -3.427 1.00 0.00 C ATOM 914 O ASP A 58 3.647 12.822 -4.166 1.00 0.00 O ATOM 915 CB ASP A 58 2.611 9.629 -4.062 1.00 0.00 C ATOM 916 CG ASP A 58 1.787 9.997 -5.281 1.00 0.00 C ATOM 917 OD1 ASP A 58 0.951 10.919 -5.175 1.00 0.00 O ATOM 918 OD2 ASP A 58 1.980 9.365 -6.340 1.00 0.00 O ATOM 0 H ASP A 58 4.538 8.871 -2.728 1.00 0.00 H new ATOM 0 HA ASP A 58 4.338 10.540 -4.956 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.856 8.567 -4.100 1.00 0.00 H new ATOM 0 HB3 ASP A 58 2.015 9.787 -3.163 1.00 0.00 H new ATOM 923 N VAL A 59 3.283 11.917 -2.138 1.00 0.00 N ATOM 924 CA VAL A 59 2.971 13.193 -1.504 1.00 0.00 C ATOM 925 C VAL A 59 4.173 13.736 -0.742 1.00 0.00 C ATOM 926 O VAL A 59 4.468 14.930 -0.795 1.00 0.00 O ATOM 927 CB VAL A 59 1.780 13.062 -0.537 1.00 0.00 C ATOM 928 CG1 VAL A 59 0.532 12.615 -1.283 1.00 0.00 C ATOM 929 CG2 VAL A 59 2.112 12.094 0.589 1.00 0.00 C ATOM 0 H VAL A 59 3.237 11.113 -1.512 1.00 0.00 H new ATOM 0 HA VAL A 59 2.707 13.887 -2.302 1.00 0.00 H new ATOM 0 HB VAL A 59 1.582 14.040 -0.099 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -0.299 12.528 -0.583 1.00 0.00 H new ATOM 0 HG12 VAL A 59 0.285 13.348 -2.050 1.00 0.00 H new ATOM 0 HG13 VAL A 59 0.715 11.648 -1.751 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.259 12.014 1.263 1.00 0.00 H new ATOM 0 HG22 VAL A 59 2.338 11.113 0.171 1.00 0.00 H new ATOM 0 HG23 VAL A 59 2.977 12.461 1.141 1.00 0.00 H new ATOM 939 N GLY A 60 4.867 12.851 -0.032 1.00 0.00 N ATOM 940 CA GLY A 60 6.031 13.261 0.731 1.00 0.00 C ATOM 941 C GLY A 60 5.806 13.166 2.227 1.00 0.00 C ATOM 942 O GLY A 60 6.090 14.109 2.966 1.00 0.00 O ATOM 0 H GLY A 60 4.643 11.858 0.028 1.00 0.00 H new ATOM 0 HA2 GLY A 60 6.881 12.638 0.454 1.00 0.00 H new ATOM 0 HA3 GLY A 60 6.290 14.287 0.470 1.00 0.00 H new ATOM 946 N VAL A 61 5.293 12.025 2.676 1.00 0.00 N ATOM 947 CA VAL A 61 5.029 11.810 4.093 1.00 0.00 C ATOM 948 C VAL A 61 5.476 10.419 4.531 1.00 0.00 C ATOM 949 O VAL A 61 5.061 9.414 3.956 1.00 0.00 O ATOM 950 CB VAL A 61 3.533 11.982 4.418 1.00 0.00 C ATOM 951 CG1 VAL A 61 3.222 11.438 5.804 1.00 0.00 C ATOM 952 CG2 VAL A 61 3.129 13.444 4.307 1.00 0.00 C ATOM 0 H VAL A 61 5.052 11.235 2.078 1.00 0.00 H new ATOM 0 HA VAL A 61 5.601 12.561 4.638 1.00 0.00 H new ATOM 0 HB VAL A 61 2.953 11.412 3.692 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.161 11.568 6.016 1.00 0.00 H new ATOM 0 HG12 VAL A 61 3.473 10.378 5.843 1.00 0.00 H new ATOM 0 HG13 VAL A 61 3.809 11.978 6.547 1.00 0.00 H new ATOM 0 HG21 VAL A 61 2.069 13.547 4.540 1.00 0.00 H new ATOM 0 HG22 VAL A 61 3.714 14.038 5.009 1.00 0.00 H new ATOM 0 HG23 VAL A 61 3.314 13.796 3.292 1.00 0.00 H new ATOM 962 N GLU A 62 6.325 10.371 5.553 1.00 0.00 N ATOM 963 CA GLU A 62 6.829 9.103 6.067 1.00 0.00 C ATOM 964 C GLU A 62 5.904 8.547 7.146 1.00 0.00 C ATOM 965 O GLU A 62 5.671 9.189 8.172 1.00 0.00 O ATOM 966 CB GLU A 62 8.240 9.281 6.632 1.00 0.00 C ATOM 967 CG GLU A 62 9.206 9.937 5.660 1.00 0.00 C ATOM 968 CD GLU A 62 10.340 10.659 6.363 1.00 0.00 C ATOM 969 OE1 GLU A 62 11.328 9.992 6.735 1.00 0.00 O ATOM 970 OE2 GLU A 62 10.238 11.891 6.540 1.00 0.00 O ATOM 0 H GLU A 62 6.678 11.195 6.041 1.00 0.00 H new ATOM 0 HA GLU A 62 6.863 8.393 5.241 1.00 0.00 H new ATOM 0 HB2 GLU A 62 8.186 9.883 7.539 1.00 0.00 H new ATOM 0 HB3 GLU A 62 8.633 8.306 6.919 1.00 0.00 H new ATOM 0 HG2 GLU A 62 9.620 9.178 4.996 1.00 0.00 H new ATOM 0 HG3 GLU A 62 8.662 10.645 5.035 1.00 0.00 H new ATOM 977 N LEU A 63 5.377 7.351 6.907 1.00 0.00 N ATOM 978 CA LEU A 63 4.476 6.708 7.857 1.00 0.00 C ATOM 979 C LEU A 63 4.533 5.190 7.719 1.00 0.00 C ATOM 980 O LEU A 63 5.208 4.661 6.836 1.00 0.00 O ATOM 981 CB LEU A 63 3.043 7.198 7.643 1.00 0.00 C ATOM 982 CG LEU A 63 2.179 6.356 6.704 1.00 0.00 C ATOM 983 CD1 LEU A 63 0.773 6.929 6.616 1.00 0.00 C ATOM 984 CD2 LEU A 63 2.812 6.278 5.323 1.00 0.00 C ATOM 0 H LEU A 63 5.558 6.807 6.063 1.00 0.00 H new ATOM 0 HA LEU A 63 4.798 6.975 8.864 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.548 7.247 8.613 1.00 0.00 H new ATOM 0 HB3 LEU A 63 3.083 8.215 7.254 1.00 0.00 H new ATOM 0 HG LEU A 63 2.114 5.346 7.109 1.00 0.00 H new ATOM 0 HD11 LEU A 63 0.172 6.317 5.943 1.00 0.00 H new ATOM 0 HD12 LEU A 63 0.319 6.932 7.607 1.00 0.00 H new ATOM 0 HD13 LEU A 63 0.819 7.949 6.235 1.00 0.00 H new ATOM 0 HD21 LEU A 63 2.183 5.675 4.668 1.00 0.00 H new ATOM 0 HD22 LEU A 63 2.908 7.282 4.910 1.00 0.00 H new ATOM 0 HD23 LEU A 63 3.799 5.821 5.400 1.00 0.00 H new ATOM 996 N VAL A 64 3.816 4.494 8.596 1.00 0.00 N ATOM 997 CA VAL A 64 3.782 3.037 8.570 1.00 0.00 C ATOM 998 C VAL A 64 2.354 2.518 8.703 1.00 0.00 C ATOM 999 O VAL A 64 1.648 2.850 9.656 1.00 0.00 O ATOM 1000 CB VAL A 64 4.642 2.435 9.697 1.00 0.00 C ATOM 1001 CG1 VAL A 64 4.302 3.081 11.032 1.00 0.00 C ATOM 1002 CG2 VAL A 64 4.454 0.927 9.762 1.00 0.00 C ATOM 0 H VAL A 64 3.251 4.916 9.333 1.00 0.00 H new ATOM 0 HA VAL A 64 4.190 2.728 7.607 1.00 0.00 H new ATOM 0 HB VAL A 64 5.690 2.639 9.479 1.00 0.00 H new ATOM 0 HG11 VAL A 64 4.920 2.643 11.816 1.00 0.00 H new ATOM 0 HG12 VAL A 64 4.492 4.153 10.977 1.00 0.00 H new ATOM 0 HG13 VAL A 64 3.250 2.911 11.261 1.00 0.00 H new ATOM 0 HG21 VAL A 64 5.069 0.518 10.564 1.00 0.00 H new ATOM 0 HG22 VAL A 64 3.406 0.699 9.956 1.00 0.00 H new ATOM 0 HG23 VAL A 64 4.752 0.482 8.813 1.00 0.00 H new ATOM 1012 N VAL A 65 1.935 1.702 7.742 1.00 0.00 N ATOM 1013 CA VAL A 65 0.591 1.136 7.752 1.00 0.00 C ATOM 1014 C VAL A 65 0.634 -0.378 7.929 1.00 0.00 C ATOM 1015 O VAL A 65 1.708 -0.975 7.993 1.00 0.00 O ATOM 1016 CB VAL A 65 -0.167 1.468 6.453 1.00 0.00 C ATOM 1017 CG1 VAL A 65 -0.028 2.944 6.116 1.00 0.00 C ATOM 1018 CG2 VAL A 65 0.333 0.601 5.308 1.00 0.00 C ATOM 0 H VAL A 65 2.506 1.418 6.946 1.00 0.00 H new ATOM 0 HA VAL A 65 0.065 1.583 8.596 1.00 0.00 H new ATOM 0 HB VAL A 65 -1.225 1.253 6.605 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -0.570 3.160 5.195 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -0.440 3.543 6.928 1.00 0.00 H new ATOM 0 HG13 VAL A 65 1.026 3.189 5.983 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -0.214 0.849 4.398 1.00 0.00 H new ATOM 0 HG22 VAL A 65 1.397 0.781 5.153 1.00 0.00 H new ATOM 0 HG23 VAL A 65 0.175 -0.450 5.551 1.00 0.00 H new ATOM 1028 N ASN A 66 -0.541 -0.993 8.008 1.00 0.00 N ATOM 1029 CA ASN A 66 -0.638 -2.438 8.179 1.00 0.00 C ATOM 1030 C ASN A 66 -0.679 -3.143 6.827 1.00 0.00 C ATOM 1031 O ASN A 66 -1.340 -2.685 5.895 1.00 0.00 O ATOM 1032 CB ASN A 66 -1.886 -2.794 8.990 1.00 0.00 C ATOM 1033 CG ASN A 66 -1.706 -4.064 9.799 1.00 0.00 C ATOM 1034 OD1 ASN A 66 -1.023 -4.069 10.824 1.00 0.00 O ATOM 1035 ND2 ASN A 66 -2.319 -5.149 9.342 1.00 0.00 N ATOM 0 H ASN A 66 -1.440 -0.513 7.956 1.00 0.00 H new ATOM 0 HA ASN A 66 0.247 -2.776 8.719 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -2.127 -1.970 9.661 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -2.733 -2.913 8.315 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -2.234 -6.033 9.845 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -2.875 -5.099 8.488 1.00 0.00 H new ATOM 1042 N VAL A 67 0.032 -4.262 6.727 1.00 0.00 N ATOM 1043 CA VAL A 67 0.077 -5.033 5.491 1.00 0.00 C ATOM 1044 C VAL A 67 -1.328 -5.355 4.993 1.00 0.00 C ATOM 1045 O VAL A 67 -1.542 -5.561 3.798 1.00 0.00 O ATOM 1046 CB VAL A 67 0.858 -6.347 5.676 1.00 0.00 C ATOM 1047 CG1 VAL A 67 2.343 -6.066 5.847 1.00 0.00 C ATOM 1048 CG2 VAL A 67 0.314 -7.127 6.863 1.00 0.00 C ATOM 0 H VAL A 67 0.585 -4.655 7.489 1.00 0.00 H new ATOM 0 HA VAL A 67 0.589 -4.416 4.752 1.00 0.00 H new ATOM 0 HB VAL A 67 0.729 -6.955 4.781 1.00 0.00 H new ATOM 0 HG11 VAL A 67 2.879 -7.006 5.976 1.00 0.00 H new ATOM 0 HG12 VAL A 67 2.720 -5.552 4.963 1.00 0.00 H new ATOM 0 HG13 VAL A 67 2.496 -5.438 6.724 1.00 0.00 H new ATOM 0 HG21 VAL A 67 0.878 -8.053 6.979 1.00 0.00 H new ATOM 0 HG22 VAL A 67 0.411 -6.527 7.768 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -0.737 -7.361 6.694 1.00 0.00 H new ATOM 1058 N ASP A 68 -2.282 -5.396 5.917 1.00 0.00 N ATOM 1059 CA ASP A 68 -3.668 -5.691 5.572 1.00 0.00 C ATOM 1060 C ASP A 68 -4.239 -4.618 4.651 1.00 0.00 C ATOM 1061 O ASP A 68 -5.141 -4.885 3.856 1.00 0.00 O ATOM 1062 CB ASP A 68 -4.518 -5.801 6.839 1.00 0.00 C ATOM 1063 CG ASP A 68 -5.843 -6.493 6.588 1.00 0.00 C ATOM 1064 OD1 ASP A 68 -6.767 -5.834 6.066 1.00 0.00 O ATOM 1065 OD2 ASP A 68 -5.957 -7.693 6.915 1.00 0.00 O ATOM 0 H ASP A 68 -2.121 -5.229 6.910 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.691 -6.645 5.045 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -3.963 -6.350 7.599 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -4.702 -4.803 7.237 1.00 0.00 H new ATOM 1070 N CYS A 69 -3.711 -3.405 4.766 1.00 0.00 N ATOM 1071 CA CYS A 69 -4.170 -2.290 3.945 1.00 0.00 C ATOM 1072 C CYS A 69 -3.253 -2.086 2.743 1.00 0.00 C ATOM 1073 O CYS A 69 -3.528 -1.260 1.872 1.00 0.00 O ATOM 1074 CB CYS A 69 -4.233 -1.009 4.777 1.00 0.00 C ATOM 1075 SG CYS A 69 -5.728 -0.853 5.781 1.00 0.00 S ATOM 0 H CYS A 69 -2.965 -3.168 5.420 1.00 0.00 H new ATOM 0 HA CYS A 69 -5.169 -2.527 3.580 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -3.363 -0.971 5.432 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -4.166 -0.151 4.108 1.00 0.00 H new ATOM 0 HG CYS A 69 -5.687 0.261 6.450 1.00 0.00 H new ATOM 1081 N LEU A 70 -2.161 -2.842 2.704 1.00 0.00 N ATOM 1082 CA LEU A 70 -1.202 -2.744 1.609 1.00 0.00 C ATOM 1083 C LEU A 70 -1.675 -3.539 0.396 1.00 0.00 C ATOM 1084 O LEU A 70 -2.191 -4.648 0.532 1.00 0.00 O ATOM 1085 CB LEU A 70 0.170 -3.249 2.061 1.00 0.00 C ATOM 1086 CG LEU A 70 0.990 -2.288 2.922 1.00 0.00 C ATOM 1087 CD1 LEU A 70 2.358 -2.877 3.226 1.00 0.00 C ATOM 1088 CD2 LEU A 70 1.130 -0.939 2.230 1.00 0.00 C ATOM 0 H LEU A 70 -1.918 -3.529 3.418 1.00 0.00 H new ATOM 0 HA LEU A 70 -1.121 -1.695 1.323 1.00 0.00 H new ATOM 0 HB2 LEU A 70 0.028 -4.174 2.620 1.00 0.00 H new ATOM 0 HB3 LEU A 70 0.753 -3.498 1.174 1.00 0.00 H new ATOM 0 HG LEU A 70 0.465 -2.138 3.865 1.00 0.00 H new ATOM 0 HD11 LEU A 70 2.927 -2.178 3.840 1.00 0.00 H new ATOM 0 HD12 LEU A 70 2.238 -3.818 3.764 1.00 0.00 H new ATOM 0 HD13 LEU A 70 2.892 -3.058 2.293 1.00 0.00 H new ATOM 0 HD21 LEU A 70 1.716 -0.268 2.857 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.632 -1.072 1.272 1.00 0.00 H new ATOM 0 HD23 LEU A 70 0.141 -0.510 2.065 1.00 0.00 H new ATOM 1100 N ARG A 71 -1.494 -2.964 -0.788 1.00 0.00 N ATOM 1101 CA ARG A 71 -1.902 -3.619 -2.025 1.00 0.00 C ATOM 1102 C ARG A 71 -0.729 -3.728 -2.995 1.00 0.00 C ATOM 1103 O ARG A 71 0.228 -2.957 -2.918 1.00 0.00 O ATOM 1104 CB ARG A 71 -3.050 -2.849 -2.681 1.00 0.00 C ATOM 1105 CG ARG A 71 -4.408 -3.137 -2.062 1.00 0.00 C ATOM 1106 CD ARG A 71 -4.966 -4.470 -2.537 1.00 0.00 C ATOM 1107 NE ARG A 71 -4.488 -5.584 -1.723 1.00 0.00 N ATOM 1108 CZ ARG A 71 -4.826 -6.850 -1.940 1.00 0.00 C ATOM 1109 NH1 ARG A 71 -5.639 -7.161 -2.940 1.00 0.00 N ATOM 1110 NH2 ARG A 71 -4.350 -7.809 -1.156 1.00 0.00 N ATOM 0 H ARG A 71 -1.068 -2.046 -0.917 1.00 0.00 H new ATOM 0 HA ARG A 71 -2.242 -4.625 -1.779 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -2.847 -1.780 -2.610 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -3.084 -3.097 -3.742 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -4.319 -3.145 -0.976 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -5.103 -2.338 -2.319 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -6.055 -4.439 -2.506 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -4.682 -4.632 -3.577 1.00 0.00 H new ATOM 0 HE ARG A 71 -3.860 -5.379 -0.946 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -6.007 -6.427 -3.545 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -5.897 -8.134 -3.104 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -3.724 -7.574 -0.386 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -4.610 -8.781 -1.324 1.00 0.00 H new ATOM 1124 N LYS A 72 -0.810 -4.691 -3.907 1.00 0.00 N ATOM 1125 CA LYS A 72 0.243 -4.902 -4.893 1.00 0.00 C ATOM 1126 C LYS A 72 0.007 -4.045 -6.133 1.00 0.00 C ATOM 1127 O LYS A 72 -1.034 -4.150 -6.783 1.00 0.00 O ATOM 1128 CB LYS A 72 0.313 -6.379 -5.287 1.00 0.00 C ATOM 1129 CG LYS A 72 0.748 -7.291 -4.153 1.00 0.00 C ATOM 1130 CD LYS A 72 -0.444 -7.802 -3.360 1.00 0.00 C ATOM 1131 CE LYS A 72 -0.974 -9.108 -3.932 1.00 0.00 C ATOM 1132 NZ LYS A 72 -1.927 -8.877 -5.052 1.00 0.00 N ATOM 0 H LYS A 72 -1.595 -5.338 -3.984 1.00 0.00 H new ATOM 0 HA LYS A 72 1.191 -4.607 -4.444 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.666 -6.698 -5.643 1.00 0.00 H new ATOM 0 HB3 LYS A 72 1.007 -6.492 -6.120 1.00 0.00 H new ATOM 0 HG2 LYS A 72 1.306 -8.135 -4.558 1.00 0.00 H new ATOM 0 HG3 LYS A 72 1.423 -6.751 -3.489 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -0.154 -7.950 -2.320 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -1.235 -7.053 -3.367 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -0.140 -9.715 -4.284 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -1.470 -9.675 -3.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -2.547 -9.705 -5.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -2.504 -8.036 -4.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -1.397 -8.728 -5.934 1.00 0.00 H new ATOM 1146 N LEU A 73 0.979 -3.199 -6.456 1.00 0.00 N ATOM 1147 CA LEU A 73 0.878 -2.325 -7.620 1.00 0.00 C ATOM 1148 C LEU A 73 1.050 -3.117 -8.912 1.00 0.00 C ATOM 1149 O LEU A 73 2.100 -3.711 -9.152 1.00 0.00 O ATOM 1150 CB LEU A 73 1.930 -1.217 -7.543 1.00 0.00 C ATOM 1151 CG LEU A 73 1.556 0.110 -8.204 1.00 0.00 C ATOM 1152 CD1 LEU A 73 0.857 1.023 -7.209 1.00 0.00 C ATOM 1153 CD2 LEU A 73 2.793 0.788 -8.775 1.00 0.00 C ATOM 0 H LEU A 73 1.846 -3.100 -5.928 1.00 0.00 H new ATOM 0 HA LEU A 73 -0.115 -1.875 -7.621 1.00 0.00 H new ATOM 0 HB2 LEU A 73 2.153 -1.027 -6.493 1.00 0.00 H new ATOM 0 HB3 LEU A 73 2.848 -1.583 -8.002 1.00 0.00 H new ATOM 0 HG LEU A 73 0.867 -0.095 -9.024 1.00 0.00 H new ATOM 0 HD11 LEU A 73 0.598 1.963 -7.697 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -0.051 0.540 -6.847 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.522 1.222 -6.368 1.00 0.00 H new ATOM 0 HD21 LEU A 73 2.508 1.731 -9.242 1.00 0.00 H new ATOM 0 HD22 LEU A 73 3.505 0.981 -7.973 1.00 0.00 H new ATOM 0 HD23 LEU A 73 3.253 0.139 -9.520 1.00 0.00 H new ATOM 1165 N GLU A 74 0.011 -3.119 -9.741 1.00 0.00 N ATOM 1166 CA GLU A 74 0.048 -3.837 -11.010 1.00 0.00 C ATOM 1167 C GLU A 74 0.864 -3.068 -12.046 1.00 0.00 C ATOM 1168 O GLU A 74 1.265 -1.929 -11.813 1.00 0.00 O ATOM 1169 CB GLU A 74 -1.371 -4.068 -11.533 1.00 0.00 C ATOM 1170 CG GLU A 74 -2.035 -5.309 -10.960 1.00 0.00 C ATOM 1171 CD GLU A 74 -3.054 -5.915 -11.906 1.00 0.00 C ATOM 1172 OE1 GLU A 74 -4.106 -5.281 -12.132 1.00 0.00 O ATOM 1173 OE2 GLU A 74 -2.799 -7.024 -12.421 1.00 0.00 O ATOM 0 H GLU A 74 -0.866 -2.632 -9.557 1.00 0.00 H new ATOM 0 HA GLU A 74 0.526 -4.802 -10.838 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -1.983 -3.197 -11.297 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -1.340 -4.151 -12.619 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -1.271 -6.052 -10.730 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -2.524 -5.054 -10.020 1.00 0.00 H new ATOM 1180 N GLU A 75 1.105 -3.702 -13.189 1.00 0.00 N ATOM 1181 CA GLU A 75 1.874 -3.079 -14.260 1.00 0.00 C ATOM 1182 C GLU A 75 1.001 -2.130 -15.076 1.00 0.00 C ATOM 1183 O GLU A 75 1.436 -1.047 -15.464 1.00 0.00 O ATOM 1184 CB GLU A 75 2.477 -4.147 -15.174 1.00 0.00 C ATOM 1185 CG GLU A 75 3.594 -3.628 -16.064 1.00 0.00 C ATOM 1186 CD GLU A 75 4.541 -4.724 -16.511 1.00 0.00 C ATOM 1187 OE1 GLU A 75 4.118 -5.584 -17.312 1.00 0.00 O ATOM 1188 OE2 GLU A 75 5.706 -4.721 -16.061 1.00 0.00 O ATOM 0 H GLU A 75 0.779 -4.646 -13.397 1.00 0.00 H new ATOM 0 HA GLU A 75 2.680 -2.503 -13.805 1.00 0.00 H new ATOM 0 HB2 GLU A 75 2.862 -4.962 -14.561 1.00 0.00 H new ATOM 0 HB3 GLU A 75 1.689 -4.564 -15.801 1.00 0.00 H new ATOM 0 HG2 GLU A 75 3.161 -3.147 -16.941 1.00 0.00 H new ATOM 0 HG3 GLU A 75 4.156 -2.864 -15.527 1.00 0.00 H new ATOM 1195 N ASN A 76 -0.235 -2.547 -15.333 1.00 0.00 N ATOM 1196 CA ASN A 76 -1.170 -1.736 -16.104 1.00 0.00 C ATOM 1197 C ASN A 76 -1.592 -0.497 -15.319 1.00 0.00 C ATOM 1198 O ASN A 76 -1.454 0.630 -15.796 1.00 0.00 O ATOM 1199 CB ASN A 76 -2.404 -2.560 -16.479 1.00 0.00 C ATOM 1200 CG ASN A 76 -2.069 -4.016 -16.741 1.00 0.00 C ATOM 1201 OD1 ASN A 76 -1.420 -4.346 -17.734 1.00 0.00 O ATOM 1202 ND2 ASN A 76 -2.511 -4.894 -15.848 1.00 0.00 N ATOM 0 H ASN A 76 -0.612 -3.441 -15.019 1.00 0.00 H new ATOM 0 HA ASN A 76 -0.666 -1.413 -17.015 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -3.137 -2.498 -15.675 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -2.868 -2.131 -17.367 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -2.316 -5.888 -15.970 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -3.045 -4.575 -15.040 1.00 0.00 H new ATOM 1209 N LEU A 77 -2.105 -0.715 -14.113 1.00 0.00 N ATOM 1210 CA LEU A 77 -2.547 0.383 -13.261 1.00 0.00 C ATOM 1211 C LEU A 77 -1.421 1.389 -13.041 1.00 0.00 C ATOM 1212 O LEU A 77 -1.665 2.585 -12.877 1.00 0.00 O ATOM 1213 CB LEU A 77 -3.036 -0.155 -11.915 1.00 0.00 C ATOM 1214 CG LEU A 77 -4.021 -1.322 -11.977 1.00 0.00 C ATOM 1215 CD1 LEU A 77 -4.450 -1.734 -10.577 1.00 0.00 C ATOM 1216 CD2 LEU A 77 -5.232 -0.954 -12.820 1.00 0.00 C ATOM 0 H LEU A 77 -2.225 -1.641 -13.704 1.00 0.00 H new ATOM 0 HA LEU A 77 -3.370 0.891 -13.763 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.168 -0.469 -11.335 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.506 0.663 -11.369 1.00 0.00 H new ATOM 0 HG LEU A 77 -3.521 -2.169 -12.446 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -5.151 -2.566 -10.641 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -3.575 -2.040 -10.004 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -4.932 -0.891 -10.081 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -5.922 -1.797 -12.853 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -5.733 -0.092 -12.380 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -4.910 -0.709 -13.832 1.00 0.00 H new ATOM 1228 N LYS A 78 -0.187 0.896 -13.040 1.00 0.00 N ATOM 1229 CA LYS A 78 0.978 1.750 -12.844 1.00 0.00 C ATOM 1230 C LYS A 78 1.290 2.543 -14.109 1.00 0.00 C ATOM 1231 O LYS A 78 1.367 3.772 -14.081 1.00 0.00 O ATOM 1232 CB LYS A 78 2.192 0.909 -12.444 1.00 0.00 C ATOM 1233 CG LYS A 78 3.450 1.728 -12.209 1.00 0.00 C ATOM 1234 CD LYS A 78 4.632 0.843 -11.850 1.00 0.00 C ATOM 1235 CE LYS A 78 5.353 0.344 -13.093 1.00 0.00 C ATOM 1236 NZ LYS A 78 4.732 -0.897 -13.633 1.00 0.00 N ATOM 0 H LYS A 78 0.032 -0.091 -13.173 1.00 0.00 H new ATOM 0 HA LYS A 78 0.751 2.453 -12.042 1.00 0.00 H new ATOM 0 HB2 LYS A 78 1.955 0.354 -11.536 1.00 0.00 H new ATOM 0 HB3 LYS A 78 2.388 0.174 -13.225 1.00 0.00 H new ATOM 0 HG2 LYS A 78 3.684 2.303 -13.105 1.00 0.00 H new ATOM 0 HG3 LYS A 78 3.274 2.445 -11.407 1.00 0.00 H new ATOM 0 HD2 LYS A 78 5.328 1.401 -11.224 1.00 0.00 H new ATOM 0 HD3 LYS A 78 4.286 -0.008 -11.263 1.00 0.00 H new ATOM 0 HE2 LYS A 78 5.338 1.120 -13.858 1.00 0.00 H new ATOM 0 HE3 LYS A 78 6.399 0.152 -12.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 5.468 -1.497 -14.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 4.265 -1.415 -12.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 4.029 -0.647 -14.358 1.00 0.00 H new ATOM 1250 N THR A 79 1.468 1.833 -15.219 1.00 0.00 N ATOM 1251 CA THR A 79 1.772 2.470 -16.494 1.00 0.00 C ATOM 1252 C THR A 79 0.499 2.933 -17.193 1.00 0.00 C ATOM 1253 O THR A 79 0.416 2.924 -18.421 1.00 0.00 O ATOM 1254 CB THR A 79 2.541 1.518 -17.429 1.00 0.00 C ATOM 1255 OG1 THR A 79 3.099 2.252 -18.524 1.00 0.00 O ATOM 1256 CG2 THR A 79 1.626 0.425 -17.959 1.00 0.00 C ATOM 0 H THR A 79 1.407 0.816 -15.260 1.00 0.00 H new ATOM 0 HA THR A 79 2.398 3.335 -16.274 1.00 0.00 H new ATOM 0 HB THR A 79 3.344 1.053 -16.857 1.00 0.00 H new ATOM 0 HG1 THR A 79 2.395 2.779 -18.957 1.00 0.00 H new ATOM 0 HG21 THR A 79 2.191 -0.235 -18.617 1.00 0.00 H new ATOM 0 HG22 THR A 79 1.225 -0.151 -17.125 1.00 0.00 H new ATOM 0 HG23 THR A 79 0.805 0.876 -18.516 1.00 0.00 H new ATOM 1264 N MET A 80 -0.491 3.338 -16.404 1.00 0.00 N ATOM 1265 CA MET A 80 -1.759 3.807 -16.950 1.00 0.00 C ATOM 1266 C MET A 80 -1.603 5.186 -17.582 1.00 0.00 C ATOM 1267 O MET A 80 -1.236 6.150 -16.911 1.00 0.00 O ATOM 1268 CB MET A 80 -2.824 3.855 -15.852 1.00 0.00 C ATOM 1269 CG MET A 80 -4.174 4.358 -16.337 1.00 0.00 C ATOM 1270 SD MET A 80 -5.196 5.003 -14.999 1.00 0.00 S ATOM 1271 CE MET A 80 -5.389 3.540 -13.984 1.00 0.00 C ATOM 0 H MET A 80 -0.439 3.351 -15.385 1.00 0.00 H new ATOM 0 HA MET A 80 -2.074 3.106 -17.723 1.00 0.00 H new ATOM 0 HB2 MET A 80 -2.947 2.857 -15.432 1.00 0.00 H new ATOM 0 HB3 MET A 80 -2.474 4.499 -15.045 1.00 0.00 H new ATOM 0 HG2 MET A 80 -4.020 5.140 -17.081 1.00 0.00 H new ATOM 0 HG3 MET A 80 -4.703 3.545 -16.834 1.00 0.00 H new ATOM 0 HE1 MET A 80 -6.112 3.739 -13.193 1.00 0.00 H new ATOM 0 HE2 MET A 80 -5.743 2.714 -14.600 1.00 0.00 H new ATOM 0 HE3 MET A 80 -4.429 3.276 -13.540 1.00 0.00 H new ATOM 1281 N GLY A 81 -1.882 5.273 -18.879 1.00 0.00 N ATOM 1282 CA GLY A 81 -1.766 6.538 -19.580 1.00 0.00 C ATOM 1283 C GLY A 81 -0.334 7.031 -19.653 1.00 0.00 C ATOM 1284 O GLY A 81 0.493 6.453 -20.358 1.00 0.00 O ATOM 0 H GLY A 81 -2.186 4.489 -19.457 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -2.161 6.428 -20.590 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -2.379 7.286 -19.078 1.00 0.00 H new ATOM 1288 N ARG A 82 -0.041 8.103 -18.924 1.00 0.00 N ATOM 1289 CA ARG A 82 1.300 8.675 -18.912 1.00 0.00 C ATOM 1290 C ARG A 82 1.727 9.027 -17.490 1.00 0.00 C ATOM 1291 O ARG A 82 0.900 9.089 -16.579 1.00 0.00 O ATOM 1292 CB ARG A 82 1.353 9.922 -19.795 1.00 0.00 C ATOM 1293 CG ARG A 82 2.765 10.348 -20.163 1.00 0.00 C ATOM 1294 CD ARG A 82 2.760 11.431 -21.231 1.00 0.00 C ATOM 1295 NE ARG A 82 2.279 12.709 -20.713 1.00 0.00 N ATOM 1296 CZ ARG A 82 2.050 13.772 -21.476 1.00 0.00 C ATOM 1297 NH1 ARG A 82 2.257 13.710 -22.784 1.00 0.00 N ATOM 1298 NH2 ARG A 82 1.612 14.899 -20.930 1.00 0.00 N ATOM 0 H ARG A 82 -0.714 8.593 -18.334 1.00 0.00 H new ATOM 0 HA ARG A 82 1.990 7.929 -19.307 1.00 0.00 H new ATOM 0 HB2 ARG A 82 0.789 9.734 -20.709 1.00 0.00 H new ATOM 0 HB3 ARG A 82 0.858 10.744 -19.278 1.00 0.00 H new ATOM 0 HG2 ARG A 82 3.279 10.714 -19.274 1.00 0.00 H new ATOM 0 HG3 ARG A 82 3.325 9.484 -20.522 1.00 0.00 H new ATOM 0 HD2 ARG A 82 3.769 11.556 -21.625 1.00 0.00 H new ATOM 0 HD3 ARG A 82 2.130 11.117 -22.063 1.00 0.00 H new ATOM 0 HE ARG A 82 2.110 12.790 -19.710 1.00 0.00 H new ATOM 0 HH11 ARG A 82 2.593 12.845 -23.207 1.00 0.00 H new ATOM 0 HH12 ARG A 82 2.080 14.528 -23.368 1.00 0.00 H new ATOM 0 HH21 ARG A 82 1.451 14.949 -19.924 1.00 0.00 H new ATOM 0 HH22 ARG A 82 1.436 15.715 -21.516 1.00 0.00 H new ATOM 1312 N LEU A 83 3.023 9.256 -17.307 1.00 0.00 N ATOM 1313 CA LEU A 83 3.561 9.601 -15.996 1.00 0.00 C ATOM 1314 C LEU A 83 5.031 9.996 -16.097 1.00 0.00 C ATOM 1315 O LEU A 83 5.707 9.663 -17.070 1.00 0.00 O ATOM 1316 CB LEU A 83 3.402 8.424 -15.031 1.00 0.00 C ATOM 1317 CG LEU A 83 3.922 7.075 -15.528 1.00 0.00 C ATOM 1318 CD1 LEU A 83 5.432 7.118 -15.708 1.00 0.00 C ATOM 1319 CD2 LEU A 83 3.530 5.965 -14.564 1.00 0.00 C ATOM 0 H LEU A 83 3.720 9.209 -18.050 1.00 0.00 H new ATOM 0 HA LEU A 83 3.000 10.454 -15.614 1.00 0.00 H new ATOM 0 HB2 LEU A 83 3.917 8.669 -14.102 1.00 0.00 H new ATOM 0 HB3 LEU A 83 2.344 8.317 -14.791 1.00 0.00 H new ATOM 0 HG LEU A 83 3.467 6.866 -16.496 1.00 0.00 H new ATOM 0 HD11 LEU A 83 5.784 6.149 -16.062 1.00 0.00 H new ATOM 0 HD12 LEU A 83 5.690 7.886 -16.437 1.00 0.00 H new ATOM 0 HD13 LEU A 83 5.906 7.349 -14.754 1.00 0.00 H new ATOM 0 HD21 LEU A 83 3.908 5.012 -14.933 1.00 0.00 H new ATOM 0 HD22 LEU A 83 3.957 6.169 -13.582 1.00 0.00 H new ATOM 0 HD23 LEU A 83 2.444 5.918 -14.485 1.00 0.00 H new ATOM 1331 N SER A 84 5.520 10.704 -15.084 1.00 0.00 N ATOM 1332 CA SER A 84 6.909 11.145 -15.060 1.00 0.00 C ATOM 1333 C SER A 84 7.701 10.389 -13.997 1.00 0.00 C ATOM 1334 O SER A 84 7.702 10.763 -12.824 1.00 0.00 O ATOM 1335 CB SER A 84 6.984 12.650 -14.794 1.00 0.00 C ATOM 1336 OG SER A 84 6.334 12.986 -13.581 1.00 0.00 O ATOM 0 H SER A 84 4.974 10.984 -14.269 1.00 0.00 H new ATOM 0 HA SER A 84 7.348 10.933 -16.035 1.00 0.00 H new ATOM 0 HB2 SER A 84 8.027 12.963 -14.750 1.00 0.00 H new ATOM 0 HB3 SER A 84 6.523 13.192 -15.620 1.00 0.00 H new ATOM 0 HG SER A 84 6.550 12.317 -12.898 1.00 0.00 H new ATOM 1342 N LEU A 85 8.374 9.324 -14.417 1.00 0.00 N ATOM 1343 CA LEU A 85 9.170 8.513 -13.502 1.00 0.00 C ATOM 1344 C LEU A 85 10.391 9.285 -13.013 1.00 0.00 C ATOM 1345 O LEU A 85 11.219 8.754 -12.273 1.00 0.00 O ATOM 1346 CB LEU A 85 9.613 7.220 -14.189 1.00 0.00 C ATOM 1347 CG LEU A 85 9.851 6.020 -13.271 1.00 0.00 C ATOM 1348 CD1 LEU A 85 8.529 5.462 -12.768 1.00 0.00 C ATOM 1349 CD2 LEU A 85 10.645 4.943 -13.996 1.00 0.00 C ATOM 0 H LEU A 85 8.385 9.002 -15.385 1.00 0.00 H new ATOM 0 HA LEU A 85 8.549 8.266 -12.641 1.00 0.00 H new ATOM 0 HB2 LEU A 85 8.857 6.945 -14.924 1.00 0.00 H new ATOM 0 HB3 LEU A 85 10.533 7.420 -14.738 1.00 0.00 H new ATOM 0 HG LEU A 85 10.431 6.354 -12.411 1.00 0.00 H new ATOM 0 HD11 LEU A 85 8.718 4.609 -12.117 1.00 0.00 H new ATOM 0 HD12 LEU A 85 7.997 6.233 -12.211 1.00 0.00 H new ATOM 0 HD13 LEU A 85 7.922 5.143 -13.616 1.00 0.00 H new ATOM 0 HD21 LEU A 85 10.805 4.097 -13.328 1.00 0.00 H new ATOM 0 HD22 LEU A 85 10.091 4.612 -14.874 1.00 0.00 H new ATOM 0 HD23 LEU A 85 11.608 5.348 -14.306 1.00 0.00 H new TER 1361 LEU A 85