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 180:sc= 1.34 USER MOD Set 1.2: A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0382 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 20:sc= 0.84 USER MOD Single : A 8 MET CE :methyl -159:sc= -2.62! (180deg=-3.14!) USER MOD Single : A 12 TYR OH : rot 180:sc=-0.00976 USER MOD Single : A 14 ASN : amide:sc= -2.24! K(o=-2.2!,f=-0.68) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ -160:sc= -0.0353 (180deg=-0.256) USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 HIS : no HD1:sc= -0.0151 X(o=-0.015,f=0) USER MOD Single : A 28 CYS SG : rot -9:sc= -0.853 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.927 K(o=-0.93,f=-2.6!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 GLN : amide:sc= -4.14! K(o=-4.1!,f=-3.3) USER MOD Single : A 42 GLN : amide:sc= 0 K(o=0,f=-0.97) USER MOD Single : A 46 MET CE :methyl -137:sc= -0.521 (180deg=-3.32!) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -2.23 K(o=-2.2,f=-9.7!) USER MOD Single : A 69 CYS SG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ -164:sc= -0.0169 (180deg=-0.208) USER MOD Single : A 76 ASN : amide:sc=-0.00737 K(o=-0.0074,f=-1.2!) USER MOD Single : A 78 LYS NZ :NH3+ 153:sc= -0.141 (180deg=-0.769) USER MOD Single : A 79 THR OG1 : rot -44:sc= 0.953 USER MOD Single : A 80 MET CE :methyl 178:sc= 0 (180deg=-0.00406) USER MOD Single : A 84 SER OG : rot 43:sc= 0.93 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -21.710 14.549 -5.439 1.00 0.00 N ATOM 2 CA GLY A 1 -21.169 13.313 -5.975 1.00 0.00 C ATOM 3 C GLY A 1 -20.972 13.370 -7.477 1.00 0.00 C ATOM 4 O GLY A 1 -21.903 13.680 -8.220 1.00 0.00 O ATOM 0 H1 GLY A 1 -21.826 14.459 -4.409 1.00 0.00 H new ATOM 0 H2 GLY A 1 -21.058 15.332 -5.647 1.00 0.00 H new ATOM 0 H3 GLY A 1 -22.634 14.742 -5.876 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -20.214 13.099 -5.494 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -21.840 12.490 -5.731 1.00 0.00 H new ATOM 8 N SER A 2 -19.757 13.071 -7.924 1.00 0.00 N ATOM 9 CA SER A 2 -19.439 13.095 -9.347 1.00 0.00 C ATOM 10 C SER A 2 -19.643 11.719 -9.973 1.00 0.00 C ATOM 11 O SER A 2 -20.188 11.598 -11.070 1.00 0.00 O ATOM 12 CB SER A 2 -17.996 13.557 -9.562 1.00 0.00 C ATOM 13 OG SER A 2 -17.077 12.619 -9.030 1.00 0.00 O ATOM 0 H SER A 2 -18.977 12.809 -7.322 1.00 0.00 H new ATOM 0 HA SER A 2 -20.114 13.799 -9.832 1.00 0.00 H new ATOM 0 HB2 SER A 2 -17.808 13.691 -10.627 1.00 0.00 H new ATOM 0 HB3 SER A 2 -17.847 14.527 -9.088 1.00 0.00 H new ATOM 0 HG SER A 2 -16.162 12.936 -9.181 1.00 0.00 H new ATOM 19 N SER A 3 -19.201 10.683 -9.266 1.00 0.00 N ATOM 20 CA SER A 3 -19.331 9.315 -9.752 1.00 0.00 C ATOM 21 C SER A 3 -18.798 9.192 -11.177 1.00 0.00 C ATOM 22 O SER A 3 -19.389 8.514 -12.016 1.00 0.00 O ATOM 23 CB SER A 3 -20.793 8.870 -9.703 1.00 0.00 C ATOM 24 OG SER A 3 -21.207 8.624 -8.370 1.00 0.00 O ATOM 0 H SER A 3 -18.750 10.766 -8.355 1.00 0.00 H new ATOM 0 HA SER A 3 -18.740 8.668 -9.104 1.00 0.00 H new ATOM 0 HB2 SER A 3 -21.425 9.639 -10.148 1.00 0.00 H new ATOM 0 HB3 SER A 3 -20.922 7.967 -10.300 1.00 0.00 H new ATOM 0 HG SER A 3 -22.146 8.343 -8.366 1.00 0.00 H new ATOM 30 N GLY A 4 -17.675 9.853 -11.442 1.00 0.00 N ATOM 31 CA GLY A 4 -17.081 9.806 -12.764 1.00 0.00 C ATOM 32 C GLY A 4 -16.304 8.526 -13.006 1.00 0.00 C ATOM 33 O GLY A 4 -16.708 7.453 -12.557 1.00 0.00 O ATOM 0 H GLY A 4 -17.166 10.420 -10.764 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -17.866 9.898 -13.515 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -16.416 10.660 -12.891 1.00 0.00 H new ATOM 37 N SER A 5 -15.188 8.639 -13.718 1.00 0.00 N ATOM 38 CA SER A 5 -14.355 7.481 -14.023 1.00 0.00 C ATOM 39 C SER A 5 -13.694 6.940 -12.759 1.00 0.00 C ATOM 40 O SER A 5 -13.523 7.661 -11.777 1.00 0.00 O ATOM 41 CB SER A 5 -13.287 7.852 -15.053 1.00 0.00 C ATOM 42 OG SER A 5 -13.874 8.184 -16.299 1.00 0.00 O ATOM 0 H SER A 5 -14.839 9.520 -14.095 1.00 0.00 H new ATOM 0 HA SER A 5 -14.995 6.703 -14.439 1.00 0.00 H new ATOM 0 HB2 SER A 5 -12.702 8.696 -14.687 1.00 0.00 H new ATOM 0 HB3 SER A 5 -12.597 7.018 -15.183 1.00 0.00 H new ATOM 0 HG SER A 5 -13.171 8.419 -16.940 1.00 0.00 H new ATOM 48 N SER A 6 -13.323 5.664 -12.793 1.00 0.00 N ATOM 49 CA SER A 6 -12.683 5.023 -11.650 1.00 0.00 C ATOM 50 C SER A 6 -11.965 3.746 -12.075 1.00 0.00 C ATOM 51 O SER A 6 -12.597 2.767 -12.470 1.00 0.00 O ATOM 52 CB SER A 6 -13.720 4.704 -10.571 1.00 0.00 C ATOM 53 OG SER A 6 -14.639 3.724 -11.020 1.00 0.00 O ATOM 0 H SER A 6 -13.455 5.054 -13.600 1.00 0.00 H new ATOM 0 HA SER A 6 -11.946 5.715 -11.242 1.00 0.00 H new ATOM 0 HB2 SER A 6 -13.216 4.350 -9.672 1.00 0.00 H new ATOM 0 HB3 SER A 6 -14.257 5.613 -10.298 1.00 0.00 H new ATOM 0 HG SER A 6 -14.250 3.231 -11.773 1.00 0.00 H new ATOM 59 N GLY A 7 -10.638 3.763 -11.990 1.00 0.00 N ATOM 60 CA GLY A 7 -9.855 2.602 -12.368 1.00 0.00 C ATOM 61 C GLY A 7 -9.112 1.995 -11.194 1.00 0.00 C ATOM 62 O GLY A 7 -9.408 0.877 -10.776 1.00 0.00 O ATOM 0 H GLY A 7 -10.092 4.561 -11.666 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -10.513 1.851 -12.805 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -9.139 2.886 -13.139 1.00 0.00 H new ATOM 66 N MET A 8 -8.144 2.735 -10.663 1.00 0.00 N ATOM 67 CA MET A 8 -7.357 2.262 -9.530 1.00 0.00 C ATOM 68 C MET A 8 -8.262 1.753 -8.413 1.00 0.00 C ATOM 69 O MET A 8 -8.398 0.545 -8.214 1.00 0.00 O ATOM 70 CB MET A 8 -6.459 3.383 -9.003 1.00 0.00 C ATOM 71 CG MET A 8 -5.065 3.380 -9.609 1.00 0.00 C ATOM 72 SD MET A 8 -4.247 4.982 -9.478 1.00 0.00 S ATOM 73 CE MET A 8 -3.044 4.644 -8.195 1.00 0.00 C ATOM 0 H MET A 8 -7.886 3.663 -10.998 1.00 0.00 H new ATOM 0 HA MET A 8 -6.733 1.436 -9.873 1.00 0.00 H new ATOM 0 HB2 MET A 8 -6.933 4.343 -9.207 1.00 0.00 H new ATOM 0 HB3 MET A 8 -6.376 3.292 -7.920 1.00 0.00 H new ATOM 0 HG2 MET A 8 -4.458 2.625 -9.110 1.00 0.00 H new ATOM 0 HG3 MET A 8 -5.130 3.094 -10.659 1.00 0.00 H new ATOM 0 HE1 MET A 8 -2.724 5.581 -7.740 1.00 0.00 H new ATOM 0 HE2 MET A 8 -3.493 4.006 -7.434 1.00 0.00 H new ATOM 0 HE3 MET A 8 -2.181 4.139 -8.629 1.00 0.00 H new ATOM 83 N ILE A 9 -8.879 2.680 -7.688 1.00 0.00 N ATOM 84 CA ILE A 9 -9.771 2.323 -6.592 1.00 0.00 C ATOM 85 C ILE A 9 -10.706 1.186 -6.992 1.00 0.00 C ATOM 86 O ILE A 9 -10.899 0.234 -6.237 1.00 0.00 O ATOM 87 CB ILE A 9 -10.615 3.529 -6.138 1.00 0.00 C ATOM 88 CG1 ILE A 9 -9.705 4.664 -5.662 1.00 0.00 C ATOM 89 CG2 ILE A 9 -11.577 3.117 -5.035 1.00 0.00 C ATOM 90 CD1 ILE A 9 -9.297 5.614 -6.766 1.00 0.00 C ATOM 0 H ILE A 9 -8.778 3.684 -7.840 1.00 0.00 H new ATOM 0 HA ILE A 9 -9.140 1.998 -5.765 1.00 0.00 H new ATOM 0 HB ILE A 9 -11.198 3.886 -6.987 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -10.217 5.226 -4.881 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -8.809 4.236 -5.212 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -12.166 3.980 -4.725 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -12.243 2.337 -5.405 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -11.013 2.738 -4.183 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -8.653 6.393 -6.357 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -8.757 5.065 -7.537 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -10.186 6.070 -7.201 1.00 0.00 H new ATOM 102 N ALA A 10 -11.281 1.292 -8.185 1.00 0.00 N ATOM 103 CA ALA A 10 -12.192 0.271 -8.688 1.00 0.00 C ATOM 104 C ALA A 10 -11.555 -1.113 -8.623 1.00 0.00 C ATOM 105 O ALA A 10 -12.032 -1.993 -7.907 1.00 0.00 O ATOM 106 CB ALA A 10 -12.612 0.594 -10.114 1.00 0.00 C ATOM 0 H ALA A 10 -11.132 2.075 -8.822 1.00 0.00 H new ATOM 0 HA ALA A 10 -13.078 0.265 -8.053 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -13.292 -0.177 -10.476 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -13.115 1.561 -10.135 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -11.730 0.630 -10.754 1.00 0.00 H new ATOM 112 N ALA A 11 -10.475 -1.298 -9.375 1.00 0.00 N ATOM 113 CA ALA A 11 -9.772 -2.574 -9.402 1.00 0.00 C ATOM 114 C ALA A 11 -9.372 -3.010 -7.996 1.00 0.00 C ATOM 115 O ALA A 11 -9.741 -4.094 -7.543 1.00 0.00 O ATOM 116 CB ALA A 11 -8.545 -2.483 -10.297 1.00 0.00 C ATOM 0 H ALA A 11 -10.068 -0.580 -9.974 1.00 0.00 H new ATOM 0 HA ALA A 11 -10.449 -3.325 -9.809 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -8.030 -3.444 -10.307 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -8.852 -2.225 -11.311 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -7.872 -1.715 -9.915 1.00 0.00 H new ATOM 122 N TYR A 12 -8.615 -2.161 -7.311 1.00 0.00 N ATOM 123 CA TYR A 12 -8.162 -2.460 -5.958 1.00 0.00 C ATOM 124 C TYR A 12 -9.318 -2.956 -5.094 1.00 0.00 C ATOM 125 O TYR A 12 -9.295 -4.081 -4.595 1.00 0.00 O ATOM 126 CB TYR A 12 -7.532 -1.219 -5.322 1.00 0.00 C ATOM 127 CG TYR A 12 -6.099 -0.985 -5.743 1.00 0.00 C ATOM 128 CD1 TYR A 12 -5.096 -1.878 -5.390 1.00 0.00 C ATOM 129 CD2 TYR A 12 -5.749 0.130 -6.495 1.00 0.00 C ATOM 130 CE1 TYR A 12 -3.785 -1.667 -5.772 1.00 0.00 C ATOM 131 CE2 TYR A 12 -4.441 0.349 -6.883 1.00 0.00 C ATOM 132 CZ TYR A 12 -3.463 -0.553 -6.518 1.00 0.00 C ATOM 133 OH TYR A 12 -2.158 -0.340 -6.902 1.00 0.00 O ATOM 0 H TYR A 12 -8.302 -1.259 -7.671 1.00 0.00 H new ATOM 0 HA TYR A 12 -7.412 -3.249 -6.019 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -8.127 -0.344 -5.585 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -7.572 -1.317 -4.237 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -5.345 -2.752 -4.807 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -6.513 0.838 -6.781 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -3.017 -2.371 -5.488 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -4.186 1.220 -7.468 1.00 0.00 H new ATOM 0 HH TYR A 12 -2.101 0.488 -7.423 1.00 0.00 H new ATOM 143 N GLU A 13 -10.327 -2.108 -4.924 1.00 0.00 N ATOM 144 CA GLU A 13 -11.492 -2.461 -4.121 1.00 0.00 C ATOM 145 C GLU A 13 -12.042 -3.824 -4.528 1.00 0.00 C ATOM 146 O GLU A 13 -12.367 -4.653 -3.679 1.00 0.00 O ATOM 147 CB GLU A 13 -12.581 -1.395 -4.266 1.00 0.00 C ATOM 148 CG GLU A 13 -13.456 -1.247 -3.033 1.00 0.00 C ATOM 149 CD GLU A 13 -14.172 0.089 -2.983 1.00 0.00 C ATOM 150 OE1 GLU A 13 -13.483 1.130 -2.963 1.00 0.00 O ATOM 151 OE2 GLU A 13 -15.421 0.094 -2.964 1.00 0.00 O ATOM 0 H GLU A 13 -10.362 -1.173 -5.331 1.00 0.00 H new ATOM 0 HA GLU A 13 -11.180 -2.512 -3.078 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -12.112 -0.436 -4.485 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -13.211 -1.645 -5.120 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -14.192 -2.051 -3.016 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -12.841 -1.359 -2.140 1.00 0.00 H new ATOM 158 N ASN A 14 -12.144 -4.049 -5.834 1.00 0.00 N ATOM 159 CA ASN A 14 -12.655 -5.311 -6.356 1.00 0.00 C ATOM 160 C ASN A 14 -11.795 -6.481 -5.888 1.00 0.00 C ATOM 161 O ASN A 14 -12.312 -7.524 -5.489 1.00 0.00 O ATOM 162 CB ASN A 14 -12.699 -5.275 -7.885 1.00 0.00 C ATOM 163 CG ASN A 14 -13.082 -6.614 -8.484 1.00 0.00 C ATOM 164 OD1 ASN A 14 -14.188 -6.784 -8.997 1.00 0.00 O ATOM 165 ND2 ASN A 14 -12.166 -7.574 -8.421 1.00 0.00 N ATOM 0 H ASN A 14 -11.879 -3.373 -6.551 1.00 0.00 H new ATOM 0 HA ASN A 14 -13.666 -5.450 -5.974 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -13.414 -4.518 -8.207 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -11.723 -4.975 -8.267 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -12.367 -8.496 -8.807 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -11.262 -7.389 -7.986 1.00 0.00 H new ATOM 172 N SER A 15 -10.479 -6.299 -5.940 1.00 0.00 N ATOM 173 CA SER A 15 -9.547 -7.341 -5.524 1.00 0.00 C ATOM 174 C SER A 15 -9.606 -7.552 -4.014 1.00 0.00 C ATOM 175 O SER A 15 -10.285 -6.815 -3.298 1.00 0.00 O ATOM 176 CB SER A 15 -8.122 -6.976 -5.944 1.00 0.00 C ATOM 177 OG SER A 15 -7.320 -8.136 -6.090 1.00 0.00 O ATOM 0 H SER A 15 -10.035 -5.441 -6.266 1.00 0.00 H new ATOM 0 HA SER A 15 -9.837 -8.270 -6.014 1.00 0.00 H new ATOM 0 HB2 SER A 15 -8.146 -6.426 -6.885 1.00 0.00 H new ATOM 0 HB3 SER A 15 -7.678 -6.315 -5.200 1.00 0.00 H new ATOM 0 HG SER A 15 -6.415 -7.876 -6.361 1.00 0.00 H new ATOM 183 N LYS A 16 -8.890 -8.564 -3.537 1.00 0.00 N ATOM 184 CA LYS A 16 -8.858 -8.874 -2.112 1.00 0.00 C ATOM 185 C LYS A 16 -7.422 -9.007 -1.616 1.00 0.00 C ATOM 186 O LYS A 16 -6.479 -8.994 -2.408 1.00 0.00 O ATOM 187 CB LYS A 16 -9.626 -10.168 -1.834 1.00 0.00 C ATOM 188 CG LYS A 16 -11.132 -10.023 -1.972 1.00 0.00 C ATOM 189 CD LYS A 16 -11.835 -11.365 -1.851 1.00 0.00 C ATOM 190 CE LYS A 16 -13.301 -11.264 -2.243 1.00 0.00 C ATOM 191 NZ LYS A 16 -14.133 -10.707 -1.140 1.00 0.00 N ATOM 0 H LYS A 16 -8.324 -9.184 -4.116 1.00 0.00 H new ATOM 0 HA LYS A 16 -9.334 -8.053 -1.576 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -9.279 -10.941 -2.520 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -9.393 -10.509 -0.825 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -11.505 -9.345 -1.204 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -11.368 -9.573 -2.936 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -11.337 -12.096 -2.487 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -11.756 -11.727 -0.826 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -13.398 -10.632 -3.126 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -13.673 -12.252 -2.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -15.125 -10.654 -1.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -14.061 -11.323 -0.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -13.795 -9.754 -0.897 1.00 0.00 H new ATOM 205 N TRP A 17 -7.263 -9.135 -0.304 1.00 0.00 N ATOM 206 CA TRP A 17 -5.941 -9.272 0.296 1.00 0.00 C ATOM 207 C TRP A 17 -5.178 -10.436 -0.326 1.00 0.00 C ATOM 208 O TRP A 17 -5.746 -11.233 -1.072 1.00 0.00 O ATOM 209 CB TRP A 17 -6.063 -9.475 1.807 1.00 0.00 C ATOM 210 CG TRP A 17 -4.743 -9.465 2.516 1.00 0.00 C ATOM 211 CD1 TRP A 17 -4.031 -8.367 2.907 1.00 0.00 C ATOM 212 CD2 TRP A 17 -3.976 -10.606 2.917 1.00 0.00 C ATOM 213 NE1 TRP A 17 -2.868 -8.757 3.527 1.00 0.00 N ATOM 214 CE2 TRP A 17 -2.811 -10.125 3.546 1.00 0.00 C ATOM 215 CE3 TRP A 17 -4.162 -11.987 2.808 1.00 0.00 C ATOM 216 CZ2 TRP A 17 -1.838 -10.977 4.062 1.00 0.00 C ATOM 217 CZ3 TRP A 17 -3.195 -12.831 3.320 1.00 0.00 C ATOM 218 CH2 TRP A 17 -2.046 -12.325 3.941 1.00 0.00 C ATOM 0 H TRP A 17 -8.033 -9.147 0.365 1.00 0.00 H new ATOM 0 HA TRP A 17 -5.385 -8.354 0.103 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -6.696 -8.691 2.222 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -6.564 -10.424 2.000 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -4.337 -7.343 2.752 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -2.162 -8.129 3.911 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -5.045 -12.387 2.332 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -0.951 -10.589 4.540 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -3.328 -13.900 3.240 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -1.310 -13.012 4.332 1.00 0.00 H new ATOM 229 N GLU A 18 -3.889 -10.527 -0.015 1.00 0.00 N ATOM 230 CA GLU A 18 -3.049 -11.595 -0.546 1.00 0.00 C ATOM 231 C GLU A 18 -1.731 -11.681 0.218 1.00 0.00 C ATOM 232 O GLU A 18 -1.049 -10.681 0.443 1.00 0.00 O ATOM 233 CB GLU A 18 -2.776 -11.367 -2.034 1.00 0.00 C ATOM 234 CG GLU A 18 -2.331 -12.619 -2.770 1.00 0.00 C ATOM 235 CD GLU A 18 -3.489 -13.535 -3.116 1.00 0.00 C ATOM 236 OE1 GLU A 18 -4.202 -13.244 -4.099 1.00 0.00 O ATOM 237 OE2 GLU A 18 -3.683 -14.542 -2.403 1.00 0.00 O ATOM 0 H GLU A 18 -3.404 -9.875 0.601 1.00 0.00 H new ATOM 0 HA GLU A 18 -3.582 -12.538 -0.423 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -3.680 -10.980 -2.505 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -2.008 -10.601 -2.141 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -1.813 -12.333 -3.685 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.614 -13.162 -2.154 1.00 0.00 H new ATOM 244 N PRO A 19 -1.363 -12.904 0.627 1.00 0.00 N ATOM 245 CA PRO A 19 -0.125 -13.151 1.371 1.00 0.00 C ATOM 246 C PRO A 19 1.118 -12.958 0.509 1.00 0.00 C ATOM 247 O PRO A 19 1.514 -13.855 -0.236 1.00 0.00 O ATOM 248 CB PRO A 19 -0.255 -14.614 1.802 1.00 0.00 C ATOM 249 CG PRO A 19 -1.167 -15.225 0.795 1.00 0.00 C ATOM 250 CD PRO A 19 -2.128 -14.141 0.394 1.00 0.00 C ATOM 0 HA PRO A 19 -0.005 -12.457 2.203 1.00 0.00 H new ATOM 0 HB2 PRO A 19 0.715 -15.112 1.812 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -0.665 -14.695 2.809 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -0.608 -15.589 -0.067 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -1.697 -16.080 1.216 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -2.429 -14.237 -0.649 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -3.038 -14.169 0.993 1.00 0.00 H new ATOM 258 N VAL A 20 1.731 -11.783 0.615 1.00 0.00 N ATOM 259 CA VAL A 20 2.930 -11.474 -0.154 1.00 0.00 C ATOM 260 C VAL A 20 4.006 -10.854 0.731 1.00 0.00 C ATOM 261 O VAL A 20 3.737 -9.932 1.502 1.00 0.00 O ATOM 262 CB VAL A 20 2.619 -10.512 -1.316 1.00 0.00 C ATOM 263 CG1 VAL A 20 1.827 -9.312 -0.818 1.00 0.00 C ATOM 264 CG2 VAL A 20 3.905 -10.068 -1.997 1.00 0.00 C ATOM 0 H VAL A 20 1.416 -11.030 1.226 1.00 0.00 H new ATOM 0 HA VAL A 20 3.297 -12.416 -0.561 1.00 0.00 H new ATOM 0 HB VAL A 20 2.010 -11.040 -2.050 1.00 0.00 H new ATOM 0 HG11 VAL A 20 1.616 -8.643 -1.653 1.00 0.00 H new ATOM 0 HG12 VAL A 20 0.889 -9.652 -0.380 1.00 0.00 H new ATOM 0 HG13 VAL A 20 2.408 -8.780 -0.064 1.00 0.00 H new ATOM 0 HG21 VAL A 20 3.667 -9.389 -2.816 1.00 0.00 H new ATOM 0 HG22 VAL A 20 4.542 -9.557 -1.275 1.00 0.00 H new ATOM 0 HG23 VAL A 20 4.429 -10.940 -2.389 1.00 0.00 H new ATOM 274 N LYS A 21 5.226 -11.366 0.616 1.00 0.00 N ATOM 275 CA LYS A 21 6.345 -10.863 1.403 1.00 0.00 C ATOM 276 C LYS A 21 6.832 -9.522 0.862 1.00 0.00 C ATOM 277 O LYS A 21 7.442 -9.458 -0.206 1.00 0.00 O ATOM 278 CB LYS A 21 7.494 -11.874 1.400 1.00 0.00 C ATOM 279 CG LYS A 21 8.682 -11.447 2.244 1.00 0.00 C ATOM 280 CD LYS A 21 9.623 -12.610 2.511 1.00 0.00 C ATOM 281 CE LYS A 21 9.243 -13.354 3.783 1.00 0.00 C ATOM 282 NZ LYS A 21 9.527 -12.548 5.002 1.00 0.00 N ATOM 0 H LYS A 21 5.465 -12.130 -0.016 1.00 0.00 H new ATOM 0 HA LYS A 21 6.000 -10.718 2.427 1.00 0.00 H new ATOM 0 HB2 LYS A 21 7.125 -12.832 1.766 1.00 0.00 H new ATOM 0 HB3 LYS A 21 7.826 -12.031 0.374 1.00 0.00 H new ATOM 0 HG2 LYS A 21 9.223 -10.649 1.735 1.00 0.00 H new ATOM 0 HG3 LYS A 21 8.329 -11.039 3.191 1.00 0.00 H new ATOM 0 HD2 LYS A 21 9.602 -13.298 1.666 1.00 0.00 H new ATOM 0 HD3 LYS A 21 10.645 -12.240 2.596 1.00 0.00 H new ATOM 0 HE2 LYS A 21 8.183 -13.606 3.753 1.00 0.00 H new ATOM 0 HE3 LYS A 21 9.793 -14.294 3.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 9.583 -13.177 5.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 10.432 -12.048 4.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 8.765 -11.855 5.145 1.00 0.00 H new ATOM 296 N TRP A 22 6.561 -8.456 1.605 1.00 0.00 N ATOM 297 CA TRP A 22 6.974 -7.117 1.199 1.00 0.00 C ATOM 298 C TRP A 22 8.486 -6.956 1.311 1.00 0.00 C ATOM 299 O TRP A 22 9.047 -7.034 2.403 1.00 0.00 O ATOM 300 CB TRP A 22 6.271 -6.063 2.057 1.00 0.00 C ATOM 301 CG TRP A 22 4.796 -5.981 1.807 1.00 0.00 C ATOM 302 CD1 TRP A 22 3.797 -6.211 2.710 1.00 0.00 C ATOM 303 CD2 TRP A 22 4.153 -5.648 0.572 1.00 0.00 C ATOM 304 NE1 TRP A 22 2.573 -6.041 2.111 1.00 0.00 N ATOM 305 CE2 TRP A 22 2.763 -5.695 0.799 1.00 0.00 C ATOM 306 CE3 TRP A 22 4.615 -5.313 -0.704 1.00 0.00 C ATOM 307 CZ2 TRP A 22 1.836 -5.420 -0.202 1.00 0.00 C ATOM 308 CZ3 TRP A 22 3.693 -5.041 -1.697 1.00 0.00 C ATOM 309 CH2 TRP A 22 2.316 -5.095 -1.441 1.00 0.00 C ATOM 0 H TRP A 22 6.057 -8.492 2.491 1.00 0.00 H new ATOM 0 HA TRP A 22 6.689 -6.976 0.156 1.00 0.00 H new ATOM 0 HB2 TRP A 22 6.442 -6.289 3.110 1.00 0.00 H new ATOM 0 HB3 TRP A 22 6.720 -5.089 1.863 1.00 0.00 H new ATOM 0 HD1 TRP A 22 3.948 -6.486 3.743 1.00 0.00 H new ATOM 0 HE1 TRP A 22 1.669 -6.154 2.569 1.00 0.00 H new ATOM 0 HE3 TRP A 22 5.674 -5.268 -0.910 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 0.775 -5.462 -0.007 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 4.039 -4.783 -2.687 1.00 0.00 H new ATOM 0 HH2 TRP A 22 1.620 -4.876 -2.238 1.00 0.00 H new ATOM 320 N GLU A 23 9.138 -6.730 0.175 1.00 0.00 N ATOM 321 CA GLU A 23 10.586 -6.558 0.148 1.00 0.00 C ATOM 322 C GLU A 23 10.959 -5.079 0.154 1.00 0.00 C ATOM 323 O GLU A 23 10.108 -4.213 -0.043 1.00 0.00 O ATOM 324 CB GLU A 23 11.180 -7.240 -1.086 1.00 0.00 C ATOM 325 CG GLU A 23 11.001 -8.749 -1.093 1.00 0.00 C ATOM 326 CD GLU A 23 11.961 -9.446 -2.037 1.00 0.00 C ATOM 327 OE1 GLU A 23 11.715 -9.416 -3.261 1.00 0.00 O ATOM 328 OE2 GLU A 23 12.957 -10.022 -1.553 1.00 0.00 O ATOM 0 H GLU A 23 8.687 -6.662 -0.738 1.00 0.00 H new ATOM 0 HA GLU A 23 10.998 -7.022 1.044 1.00 0.00 H new ATOM 0 HB2 GLU A 23 10.716 -6.823 -1.980 1.00 0.00 H new ATOM 0 HB3 GLU A 23 12.244 -7.008 -1.142 1.00 0.00 H new ATOM 0 HG2 GLU A 23 11.147 -9.133 -0.083 1.00 0.00 H new ATOM 0 HG3 GLU A 23 9.977 -8.988 -1.380 1.00 0.00 H new ATOM 335 N ASN A 24 12.238 -4.797 0.382 1.00 0.00 N ATOM 336 CA ASN A 24 12.724 -3.423 0.415 1.00 0.00 C ATOM 337 C ASN A 24 12.608 -2.772 -0.960 1.00 0.00 C ATOM 338 O ASN A 24 12.410 -3.453 -1.966 1.00 0.00 O ATOM 339 CB ASN A 24 14.179 -3.386 0.888 1.00 0.00 C ATOM 340 CG ASN A 24 14.309 -3.645 2.377 1.00 0.00 C ATOM 341 OD1 ASN A 24 14.804 -4.691 2.795 1.00 0.00 O ATOM 342 ND2 ASN A 24 13.863 -2.689 3.184 1.00 0.00 N ATOM 0 H ASN A 24 12.956 -5.502 0.547 1.00 0.00 H new ATOM 0 HA ASN A 24 12.106 -2.862 1.116 1.00 0.00 H new ATOM 0 HB2 ASN A 24 14.755 -4.132 0.340 1.00 0.00 H new ATOM 0 HB3 ASN A 24 14.610 -2.413 0.652 1.00 0.00 H new ATOM 0 HD21 ASN A 24 13.924 -2.806 4.195 1.00 0.00 H new ATOM 0 HD22 ASN A 24 13.460 -1.838 2.792 1.00 0.00 H new ATOM 349 N ASP A 25 12.734 -1.450 -0.996 1.00 0.00 N ATOM 350 CA ASP A 25 12.646 -0.707 -2.247 1.00 0.00 C ATOM 351 C ASP A 25 11.616 -1.335 -3.181 1.00 0.00 C ATOM 352 O ASP A 25 11.919 -1.652 -4.331 1.00 0.00 O ATOM 353 CB ASP A 25 14.012 -0.656 -2.933 1.00 0.00 C ATOM 354 CG ASP A 25 15.104 -0.151 -2.011 1.00 0.00 C ATOM 355 OD1 ASP A 25 15.680 -0.973 -1.267 1.00 0.00 O ATOM 356 OD2 ASP A 25 15.385 1.065 -2.035 1.00 0.00 O ATOM 0 H ASP A 25 12.898 -0.871 -0.172 1.00 0.00 H new ATOM 0 HA ASP A 25 12.327 0.309 -2.015 1.00 0.00 H new ATOM 0 HB2 ASP A 25 14.274 -1.652 -3.290 1.00 0.00 H new ATOM 0 HB3 ASP A 25 13.952 -0.009 -3.808 1.00 0.00 H new ATOM 361 N MET A 26 10.399 -1.514 -2.677 1.00 0.00 N ATOM 362 CA MET A 26 9.325 -2.105 -3.467 1.00 0.00 C ATOM 363 C MET A 26 8.169 -1.124 -3.632 1.00 0.00 C ATOM 364 O MET A 26 8.064 -0.143 -2.895 1.00 0.00 O ATOM 365 CB MET A 26 8.828 -3.393 -2.808 1.00 0.00 C ATOM 366 CG MET A 26 9.575 -4.636 -3.262 1.00 0.00 C ATOM 367 SD MET A 26 9.038 -5.216 -4.883 1.00 0.00 S ATOM 368 CE MET A 26 7.554 -6.119 -4.444 1.00 0.00 C ATOM 0 H MET A 26 10.132 -1.259 -1.726 1.00 0.00 H new ATOM 0 HA MET A 26 9.721 -2.341 -4.455 1.00 0.00 H new ATOM 0 HB2 MET A 26 8.922 -3.298 -1.726 1.00 0.00 H new ATOM 0 HB3 MET A 26 7.767 -3.517 -3.026 1.00 0.00 H new ATOM 0 HG2 MET A 26 10.643 -4.422 -3.293 1.00 0.00 H new ATOM 0 HG3 MET A 26 9.430 -5.430 -2.530 1.00 0.00 H new ATOM 0 HE1 MET A 26 7.104 -6.539 -5.344 1.00 0.00 H new ATOM 0 HE2 MET A 26 7.809 -6.924 -3.755 1.00 0.00 H new ATOM 0 HE3 MET A 26 6.845 -5.443 -3.966 1.00 0.00 H new ATOM 378 N HIS A 27 7.302 -1.396 -4.602 1.00 0.00 N ATOM 379 CA HIS A 27 6.152 -0.537 -4.863 1.00 0.00 C ATOM 380 C HIS A 27 4.854 -1.230 -4.460 1.00 0.00 C ATOM 381 O HIS A 27 4.650 -2.408 -4.757 1.00 0.00 O ATOM 382 CB HIS A 27 6.101 -0.152 -6.342 1.00 0.00 C ATOM 383 CG HIS A 27 6.887 1.081 -6.667 1.00 0.00 C ATOM 384 ND1 HIS A 27 6.595 1.899 -7.738 1.00 0.00 N ATOM 385 CD2 HIS A 27 7.960 1.634 -6.054 1.00 0.00 C ATOM 386 CE1 HIS A 27 7.455 2.902 -7.771 1.00 0.00 C ATOM 387 NE2 HIS A 27 8.293 2.765 -6.759 1.00 0.00 N ATOM 0 H HIS A 27 7.374 -2.204 -5.220 1.00 0.00 H new ATOM 0 HA HIS A 27 6.262 0.367 -4.264 1.00 0.00 H new ATOM 0 HB2 HIS A 27 6.480 -0.982 -6.938 1.00 0.00 H new ATOM 0 HB3 HIS A 27 5.062 0.002 -6.633 1.00 0.00 H new ATOM 0 HD2 HIS A 27 8.461 1.256 -5.175 1.00 0.00 H new ATOM 0 HE1 HIS A 27 7.470 3.698 -8.501 1.00 0.00 H new ATOM 0 HE2 HIS A 27 9.063 3.397 -6.537 1.00 0.00 H new ATOM 395 N CYS A 28 3.980 -0.493 -3.784 1.00 0.00 N ATOM 396 CA CYS A 28 2.702 -1.037 -3.340 1.00 0.00 C ATOM 397 C CYS A 28 1.704 0.081 -3.057 1.00 0.00 C ATOM 398 O CYS A 28 2.086 1.235 -2.871 1.00 0.00 O ATOM 399 CB CYS A 28 2.897 -1.893 -2.087 1.00 0.00 C ATOM 400 SG CYS A 28 3.648 -1.010 -0.699 1.00 0.00 S ATOM 0 H CYS A 28 4.133 0.483 -3.531 1.00 0.00 H new ATOM 0 HA CYS A 28 2.303 -1.661 -4.139 1.00 0.00 H new ATOM 0 HB2 CYS A 28 1.929 -2.285 -1.774 1.00 0.00 H new ATOM 0 HB3 CYS A 28 3.522 -2.750 -2.339 1.00 0.00 H new ATOM 0 HG CYS A 28 4.069 0.152 -1.101 1.00 0.00 H new ATOM 406 N ALA A 29 0.423 -0.271 -3.028 1.00 0.00 N ATOM 407 CA ALA A 29 -0.631 0.702 -2.768 1.00 0.00 C ATOM 408 C ALA A 29 -1.274 0.464 -1.406 1.00 0.00 C ATOM 409 O ALA A 29 -1.780 -0.624 -1.129 1.00 0.00 O ATOM 410 CB ALA A 29 -1.682 0.649 -3.867 1.00 0.00 C ATOM 0 H ALA A 29 0.090 -1.223 -3.181 1.00 0.00 H new ATOM 0 HA ALA A 29 -0.181 1.695 -2.759 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -2.463 1.381 -3.659 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -1.217 0.876 -4.826 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -2.120 -0.348 -3.904 1.00 0.00 H new ATOM 416 N VAL A 30 -1.252 1.488 -0.559 1.00 0.00 N ATOM 417 CA VAL A 30 -1.834 1.390 0.775 1.00 0.00 C ATOM 418 C VAL A 30 -3.234 1.992 0.809 1.00 0.00 C ATOM 419 O VAL A 30 -3.457 3.101 0.323 1.00 0.00 O ATOM 420 CB VAL A 30 -0.956 2.099 1.823 1.00 0.00 C ATOM 421 CG1 VAL A 30 -0.584 3.496 1.351 1.00 0.00 C ATOM 422 CG2 VAL A 30 -1.670 2.153 3.166 1.00 0.00 C ATOM 0 H VAL A 30 -0.837 2.395 -0.773 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.892 0.329 1.018 1.00 0.00 H new ATOM 0 HB VAL A 30 -0.036 1.528 1.948 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.036 3.981 2.104 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.031 3.428 0.414 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.491 4.081 1.196 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -1.036 2.657 3.895 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -2.606 2.701 3.059 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.880 1.139 3.507 1.00 0.00 H new ATOM 432 N LYS A 31 -4.175 1.253 1.387 1.00 0.00 N ATOM 433 CA LYS A 31 -5.555 1.714 1.488 1.00 0.00 C ATOM 434 C LYS A 31 -5.810 2.379 2.836 1.00 0.00 C ATOM 435 O LYS A 31 -5.463 1.832 3.884 1.00 0.00 O ATOM 436 CB LYS A 31 -6.520 0.542 1.295 1.00 0.00 C ATOM 437 CG LYS A 31 -7.981 0.956 1.267 1.00 0.00 C ATOM 438 CD LYS A 31 -8.897 -0.243 1.085 1.00 0.00 C ATOM 439 CE LYS A 31 -9.105 -0.990 2.394 1.00 0.00 C ATOM 440 NZ LYS A 31 -10.297 -1.882 2.340 1.00 0.00 N ATOM 0 H LYS A 31 -4.007 0.332 1.793 1.00 0.00 H new ATOM 0 HA LYS A 31 -5.724 2.450 0.702 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -6.277 0.032 0.363 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -6.370 -0.178 2.100 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -8.232 1.470 2.195 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -8.144 1.666 0.456 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -9.860 0.089 0.698 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -8.471 -0.918 0.343 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -8.218 -1.582 2.619 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -9.224 -0.273 3.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -10.405 -2.373 3.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -11.147 -1.314 2.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -10.172 -2.582 1.581 1.00 0.00 H new ATOM 454 N ILE A 32 -6.418 3.560 2.803 1.00 0.00 N ATOM 455 CA ILE A 32 -6.721 4.297 4.023 1.00 0.00 C ATOM 456 C ILE A 32 -7.971 3.747 4.702 1.00 0.00 C ATOM 457 O ILE A 32 -8.915 3.324 4.035 1.00 0.00 O ATOM 458 CB ILE A 32 -6.923 5.797 3.739 1.00 0.00 C ATOM 459 CG1 ILE A 32 -5.823 6.315 2.810 1.00 0.00 C ATOM 460 CG2 ILE A 32 -6.940 6.585 5.040 1.00 0.00 C ATOM 461 CD1 ILE A 32 -6.054 7.731 2.330 1.00 0.00 C ATOM 0 H ILE A 32 -6.710 4.027 1.944 1.00 0.00 H new ATOM 0 HA ILE A 32 -5.865 4.173 4.687 1.00 0.00 H new ATOM 0 HB ILE A 32 -7.884 5.932 3.243 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -4.867 6.268 3.331 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -5.748 5.655 1.946 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -7.084 7.643 4.822 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -7.756 6.230 5.670 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -5.993 6.447 5.561 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -5.235 8.032 1.676 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -6.994 7.780 1.780 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -6.099 8.403 3.187 1.00 0.00 H new ATOM 473 N GLN A 33 -7.970 3.759 6.031 1.00 0.00 N ATOM 474 CA GLN A 33 -9.105 3.262 6.800 1.00 0.00 C ATOM 475 C GLN A 33 -10.053 4.399 7.167 1.00 0.00 C ATOM 476 O GLN A 33 -11.260 4.195 7.300 1.00 0.00 O ATOM 477 CB GLN A 33 -8.619 2.556 8.067 1.00 0.00 C ATOM 478 CG GLN A 33 -7.961 3.491 9.069 1.00 0.00 C ATOM 479 CD GLN A 33 -6.472 3.648 8.829 1.00 0.00 C ATOM 480 OE1 GLN A 33 -5.825 2.764 8.266 1.00 0.00 O ATOM 481 NE2 GLN A 33 -5.919 4.778 9.255 1.00 0.00 N ATOM 0 H GLN A 33 -7.196 4.107 6.597 1.00 0.00 H new ATOM 0 HA GLN A 33 -9.648 2.548 6.181 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -9.465 2.062 8.545 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -7.909 1.777 7.789 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -8.439 4.469 9.016 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -8.125 3.111 10.077 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -6.492 5.484 9.717 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -4.921 4.940 9.120 1.00 0.00 H new ATOM 490 N ASP A 34 -9.498 5.595 7.332 1.00 0.00 N ATOM 491 CA ASP A 34 -10.295 6.765 7.684 1.00 0.00 C ATOM 492 C ASP A 34 -10.874 7.424 6.435 1.00 0.00 C ATOM 493 O ASP A 34 -11.611 8.406 6.524 1.00 0.00 O ATOM 494 CB ASP A 34 -9.445 7.772 8.459 1.00 0.00 C ATOM 495 CG ASP A 34 -9.231 7.359 9.903 1.00 0.00 C ATOM 496 OD1 ASP A 34 -10.157 6.765 10.493 1.00 0.00 O ATOM 497 OD2 ASP A 34 -8.138 7.630 10.441 1.00 0.00 O ATOM 0 H ASP A 34 -8.500 5.780 7.228 1.00 0.00 H new ATOM 0 HA ASP A 34 -11.120 6.436 8.315 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -8.478 7.881 7.968 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -9.928 8.749 8.431 1.00 0.00 H new ATOM 502 N LYS A 35 -10.534 6.878 5.273 1.00 0.00 N ATOM 503 CA LYS A 35 -11.019 7.411 4.006 1.00 0.00 C ATOM 504 C LYS A 35 -11.304 6.287 3.015 1.00 0.00 C ATOM 505 O LYS A 35 -11.128 5.110 3.330 1.00 0.00 O ATOM 506 CB LYS A 35 -9.995 8.381 3.411 1.00 0.00 C ATOM 507 CG LYS A 35 -9.560 9.472 4.375 1.00 0.00 C ATOM 508 CD LYS A 35 -10.661 10.497 4.591 1.00 0.00 C ATOM 509 CE LYS A 35 -10.809 11.418 3.390 1.00 0.00 C ATOM 510 NZ LYS A 35 -11.600 12.636 3.719 1.00 0.00 N ATOM 0 H LYS A 35 -9.924 6.066 5.182 1.00 0.00 H new ATOM 0 HA LYS A 35 -11.949 7.946 4.199 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -9.117 7.819 3.091 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -10.420 8.843 2.520 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -9.285 9.026 5.331 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -8.671 9.968 3.987 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -11.605 9.985 4.776 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -10.440 11.089 5.479 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -9.822 11.712 3.034 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -11.294 10.879 2.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -11.678 13.238 2.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -12.551 12.358 4.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -11.124 13.165 4.478 1.00 0.00 H new ATOM 524 N ASN A 36 -11.743 6.657 1.816 1.00 0.00 N ATOM 525 CA ASN A 36 -12.051 5.679 0.780 1.00 0.00 C ATOM 526 C ASN A 36 -11.170 5.891 -0.448 1.00 0.00 C ATOM 527 O ASN A 36 -11.569 5.583 -1.570 1.00 0.00 O ATOM 528 CB ASN A 36 -13.526 5.771 0.385 1.00 0.00 C ATOM 529 CG ASN A 36 -14.419 4.942 1.287 1.00 0.00 C ATOM 530 OD1 ASN A 36 -14.449 3.714 1.192 1.00 0.00 O ATOM 531 ND2 ASN A 36 -15.153 5.610 2.169 1.00 0.00 N ATOM 0 H ASN A 36 -11.893 7.627 1.538 1.00 0.00 H new ATOM 0 HA ASN A 36 -11.851 4.686 1.182 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -13.845 6.813 0.421 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -13.645 5.437 -0.646 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -15.773 5.106 2.803 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -15.097 6.627 2.213 1.00 0.00 H new ATOM 538 N GLN A 37 -9.971 6.419 -0.224 1.00 0.00 N ATOM 539 CA GLN A 37 -9.034 6.673 -1.312 1.00 0.00 C ATOM 540 C GLN A 37 -7.793 5.796 -1.178 1.00 0.00 C ATOM 541 O GLN A 37 -7.246 5.642 -0.086 1.00 0.00 O ATOM 542 CB GLN A 37 -8.630 8.148 -1.333 1.00 0.00 C ATOM 543 CG GLN A 37 -8.289 8.666 -2.720 1.00 0.00 C ATOM 544 CD GLN A 37 -7.067 7.990 -3.312 1.00 0.00 C ATOM 545 OE1 GLN A 37 -7.123 7.430 -4.407 1.00 0.00 O ATOM 546 NE2 GLN A 37 -5.955 8.040 -2.588 1.00 0.00 N ATOM 0 H GLN A 37 -9.626 6.679 0.700 1.00 0.00 H new ATOM 0 HA GLN A 37 -9.532 6.427 -2.250 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -9.444 8.745 -0.921 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -7.769 8.290 -0.680 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -9.141 8.511 -3.381 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -8.116 9.741 -2.670 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -5.955 8.515 -1.686 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -5.101 7.603 -2.934 1.00 0.00 H new ATOM 555 N TRP A 38 -7.356 5.224 -2.294 1.00 0.00 N ATOM 556 CA TRP A 38 -6.179 4.361 -2.300 1.00 0.00 C ATOM 557 C TRP A 38 -4.907 5.178 -2.497 1.00 0.00 C ATOM 558 O TRP A 38 -4.740 5.848 -3.516 1.00 0.00 O ATOM 559 CB TRP A 38 -6.299 3.307 -3.401 1.00 0.00 C ATOM 560 CG TRP A 38 -6.995 2.057 -2.954 1.00 0.00 C ATOM 561 CD1 TRP A 38 -8.343 1.859 -2.858 1.00 0.00 C ATOM 562 CD2 TRP A 38 -6.377 0.834 -2.541 1.00 0.00 C ATOM 563 NE1 TRP A 38 -8.600 0.586 -2.410 1.00 0.00 N ATOM 564 CE2 TRP A 38 -7.411 -0.064 -2.209 1.00 0.00 C ATOM 565 CE3 TRP A 38 -5.051 0.408 -2.422 1.00 0.00 C ATOM 566 CZ2 TRP A 38 -7.157 -1.359 -1.765 1.00 0.00 C ATOM 567 CZ3 TRP A 38 -4.802 -0.877 -1.980 1.00 0.00 C ATOM 568 CH2 TRP A 38 -5.850 -1.749 -1.657 1.00 0.00 C ATOM 0 H TRP A 38 -7.798 5.342 -3.206 1.00 0.00 H new ATOM 0 HA TRP A 38 -6.121 3.860 -1.333 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -6.841 3.734 -4.245 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -5.302 3.051 -3.759 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -9.096 2.595 -3.099 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -9.526 0.189 -2.253 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -4.236 1.071 -2.671 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -7.964 -2.032 -1.515 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -3.781 -1.215 -1.882 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -5.622 -2.748 -1.316 1.00 0.00 H new ATOM 579 N ARG A 39 -4.012 5.117 -1.516 1.00 0.00 N ATOM 580 CA ARG A 39 -2.754 5.853 -1.583 1.00 0.00 C ATOM 581 C ARG A 39 -1.595 4.918 -1.915 1.00 0.00 C ATOM 582 O ARG A 39 -1.663 3.715 -1.663 1.00 0.00 O ATOM 583 CB ARG A 39 -2.485 6.565 -0.256 1.00 0.00 C ATOM 584 CG ARG A 39 -3.085 7.960 -0.181 1.00 0.00 C ATOM 585 CD ARG A 39 -2.152 9.001 -0.781 1.00 0.00 C ATOM 586 NE ARG A 39 -2.679 10.355 -0.638 1.00 0.00 N ATOM 587 CZ ARG A 39 -3.706 10.822 -1.341 1.00 0.00 C ATOM 588 NH1 ARG A 39 -4.312 10.047 -2.229 1.00 0.00 N ATOM 589 NH2 ARG A 39 -4.128 12.066 -1.154 1.00 0.00 N ATOM 0 H ARG A 39 -4.134 4.566 -0.666 1.00 0.00 H new ATOM 0 HA ARG A 39 -2.838 6.596 -2.376 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -2.886 5.962 0.558 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -1.408 6.633 -0.102 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -4.038 7.976 -0.710 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -3.293 8.212 0.859 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -1.178 8.938 -0.295 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -1.996 8.782 -1.837 1.00 0.00 H new ATOM 0 HE ARG A 39 -2.235 10.976 0.038 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -3.991 9.090 -2.374 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -5.100 10.408 -2.767 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -3.664 12.665 -0.471 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -4.916 12.424 -1.694 1.00 0.00 H new ATOM 603 N ARG A 40 -0.533 5.480 -2.482 1.00 0.00 N ATOM 604 CA ARG A 40 0.641 4.697 -2.850 1.00 0.00 C ATOM 605 C ARG A 40 1.759 4.881 -1.829 1.00 0.00 C ATOM 606 O ARG A 40 1.850 5.917 -1.172 1.00 0.00 O ATOM 607 CB ARG A 40 1.134 5.101 -4.241 1.00 0.00 C ATOM 608 CG ARG A 40 0.253 4.593 -5.371 1.00 0.00 C ATOM 609 CD ARG A 40 -0.926 5.521 -5.618 1.00 0.00 C ATOM 610 NE ARG A 40 -0.503 6.809 -6.161 1.00 0.00 N ATOM 611 CZ ARG A 40 -0.099 6.982 -7.415 1.00 0.00 C ATOM 612 NH1 ARG A 40 -0.063 5.953 -8.251 1.00 0.00 N ATOM 613 NH2 ARG A 40 0.270 8.185 -7.835 1.00 0.00 N ATOM 0 H ARG A 40 -0.461 6.475 -2.697 1.00 0.00 H new ATOM 0 HA ARG A 40 0.355 3.645 -2.864 1.00 0.00 H new ATOM 0 HB2 ARG A 40 1.190 6.188 -4.296 1.00 0.00 H new ATOM 0 HB3 ARG A 40 2.146 4.722 -4.383 1.00 0.00 H new ATOM 0 HG2 ARG A 40 0.844 4.503 -6.282 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -0.112 3.595 -5.129 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -1.622 5.047 -6.310 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -1.464 5.680 -4.684 1.00 0.00 H new ATOM 0 HE ARG A 40 -0.519 7.621 -5.544 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -0.346 5.026 -7.932 1.00 0.00 H new ATOM 0 HH12 ARG A 40 0.247 6.088 -9.213 1.00 0.00 H new ATOM 0 HH21 ARG A 40 0.244 8.979 -7.195 1.00 0.00 H new ATOM 0 HH22 ARG A 40 0.580 8.316 -8.798 1.00 0.00 H new ATOM 627 N GLY A 41 2.610 3.866 -1.701 1.00 0.00 N ATOM 628 CA GLY A 41 3.711 3.936 -0.758 1.00 0.00 C ATOM 629 C GLY A 41 4.896 3.094 -1.187 1.00 0.00 C ATOM 630 O GLY A 41 4.739 2.119 -1.921 1.00 0.00 O ATOM 0 H GLY A 41 2.556 2.998 -2.233 1.00 0.00 H new ATOM 0 HA2 GLY A 41 4.027 4.974 -0.649 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.368 3.603 0.222 1.00 0.00 H new ATOM 634 N GLN A 42 6.085 3.472 -0.730 1.00 0.00 N ATOM 635 CA GLN A 42 7.302 2.746 -1.074 1.00 0.00 C ATOM 636 C GLN A 42 7.849 1.996 0.136 1.00 0.00 C ATOM 637 O GLN A 42 8.265 2.608 1.121 1.00 0.00 O ATOM 638 CB GLN A 42 8.361 3.709 -1.614 1.00 0.00 C ATOM 639 CG GLN A 42 9.538 3.010 -2.275 1.00 0.00 C ATOM 640 CD GLN A 42 10.558 3.985 -2.830 1.00 0.00 C ATOM 641 OE1 GLN A 42 10.329 5.195 -2.853 1.00 0.00 O ATOM 642 NE2 GLN A 42 11.691 3.462 -3.283 1.00 0.00 N ATOM 0 H GLN A 42 6.232 4.277 -0.121 1.00 0.00 H new ATOM 0 HA GLN A 42 7.055 2.019 -1.848 1.00 0.00 H new ATOM 0 HB2 GLN A 42 7.896 4.380 -2.336 1.00 0.00 H new ATOM 0 HB3 GLN A 42 8.729 4.327 -0.795 1.00 0.00 H new ATOM 0 HG2 GLN A 42 10.022 2.357 -1.549 1.00 0.00 H new ATOM 0 HG3 GLN A 42 9.172 2.374 -3.081 1.00 0.00 H new ATOM 0 HE21 GLN A 42 11.838 2.453 -3.244 1.00 0.00 H new ATOM 0 HE22 GLN A 42 12.414 4.069 -3.670 1.00 0.00 H new ATOM 651 N ILE A 43 7.844 0.670 0.056 1.00 0.00 N ATOM 652 CA ILE A 43 8.341 -0.162 1.145 1.00 0.00 C ATOM 653 C ILE A 43 9.633 0.404 1.724 1.00 0.00 C ATOM 654 O ILE A 43 10.724 0.112 1.234 1.00 0.00 O ATOM 655 CB ILE A 43 8.590 -1.609 0.679 1.00 0.00 C ATOM 656 CG1 ILE A 43 7.302 -2.217 0.121 1.00 0.00 C ATOM 657 CG2 ILE A 43 9.125 -2.450 1.828 1.00 0.00 C ATOM 658 CD1 ILE A 43 6.191 -2.322 1.143 1.00 0.00 C ATOM 0 H ILE A 43 7.502 0.149 -0.751 1.00 0.00 H new ATOM 0 HA ILE A 43 7.571 -0.165 1.917 1.00 0.00 H new ATOM 0 HB ILE A 43 9.337 -1.596 -0.115 1.00 0.00 H new ATOM 0 HG12 ILE A 43 6.957 -1.612 -0.717 1.00 0.00 H new ATOM 0 HG13 ILE A 43 7.519 -3.211 -0.271 1.00 0.00 H new ATOM 0 HG21 ILE A 43 9.296 -3.470 1.484 1.00 0.00 H new ATOM 0 HG22 ILE A 43 10.064 -2.025 2.184 1.00 0.00 H new ATOM 0 HG23 ILE A 43 8.399 -2.459 2.641 1.00 0.00 H new ATOM 0 HD11 ILE A 43 5.309 -2.762 0.678 1.00 0.00 H new ATOM 0 HD12 ILE A 43 6.517 -2.952 1.971 1.00 0.00 H new ATOM 0 HD13 ILE A 43 5.946 -1.328 1.518 1.00 0.00 H new ATOM 670 N ILE A 44 9.502 1.213 2.770 1.00 0.00 N ATOM 671 CA ILE A 44 10.660 1.817 3.418 1.00 0.00 C ATOM 672 C ILE A 44 11.449 0.781 4.211 1.00 0.00 C ATOM 673 O ILE A 44 12.576 0.437 3.854 1.00 0.00 O ATOM 674 CB ILE A 44 10.244 2.961 4.361 1.00 0.00 C ATOM 675 CG1 ILE A 44 9.661 4.126 3.558 1.00 0.00 C ATOM 676 CG2 ILE A 44 11.433 3.423 5.189 1.00 0.00 C ATOM 677 CD1 ILE A 44 9.271 5.313 4.412 1.00 0.00 C ATOM 0 H ILE A 44 8.606 1.465 3.187 1.00 0.00 H new ATOM 0 HA ILE A 44 11.290 2.221 2.626 1.00 0.00 H new ATOM 0 HB ILE A 44 9.475 2.592 5.040 1.00 0.00 H new ATOM 0 HG12 ILE A 44 10.392 4.447 2.816 1.00 0.00 H new ATOM 0 HG13 ILE A 44 8.784 3.778 3.012 1.00 0.00 H new ATOM 0 HG21 ILE A 44 11.123 4.232 5.851 1.00 0.00 H new ATOM 0 HG22 ILE A 44 11.807 2.590 5.784 1.00 0.00 H new ATOM 0 HG23 ILE A 44 12.222 3.778 4.526 1.00 0.00 H new ATOM 0 HD11 ILE A 44 8.866 6.101 3.777 1.00 0.00 H new ATOM 0 HD12 ILE A 44 8.517 5.007 5.137 1.00 0.00 H new ATOM 0 HD13 ILE A 44 10.149 5.687 4.938 1.00 0.00 H new ATOM 689 N ARG A 45 10.848 0.285 5.288 1.00 0.00 N ATOM 690 CA ARG A 45 11.494 -0.713 6.131 1.00 0.00 C ATOM 691 C ARG A 45 10.459 -1.518 6.911 1.00 0.00 C ATOM 692 O ARG A 45 9.600 -0.953 7.587 1.00 0.00 O ATOM 693 CB ARG A 45 12.468 -0.040 7.100 1.00 0.00 C ATOM 694 CG ARG A 45 11.818 0.422 8.394 1.00 0.00 C ATOM 695 CD ARG A 45 12.621 1.530 9.057 1.00 0.00 C ATOM 696 NE ARG A 45 13.769 1.009 9.794 1.00 0.00 N ATOM 697 CZ ARG A 45 14.754 1.771 10.255 1.00 0.00 C ATOM 698 NH1 ARG A 45 14.731 3.082 10.058 1.00 0.00 N ATOM 699 NH2 ARG A 45 15.765 1.223 10.917 1.00 0.00 N ATOM 0 H ARG A 45 9.915 0.558 5.597 1.00 0.00 H new ATOM 0 HA ARG A 45 12.047 -1.394 5.485 1.00 0.00 H new ATOM 0 HB2 ARG A 45 13.272 -0.737 7.336 1.00 0.00 H new ATOM 0 HB3 ARG A 45 12.924 0.818 6.606 1.00 0.00 H new ATOM 0 HG2 ARG A 45 10.808 0.776 8.189 1.00 0.00 H new ATOM 0 HG3 ARG A 45 11.727 -0.422 9.078 1.00 0.00 H new ATOM 0 HD2 ARG A 45 12.966 2.232 8.298 1.00 0.00 H new ATOM 0 HD3 ARG A 45 11.977 2.088 9.737 1.00 0.00 H new ATOM 0 HE ARG A 45 13.817 0.004 9.964 1.00 0.00 H new ATOM 0 HH11 ARG A 45 13.955 3.508 9.551 1.00 0.00 H new ATOM 0 HH12 ARG A 45 15.489 3.665 10.413 1.00 0.00 H new ATOM 0 HH21 ARG A 45 15.786 0.215 11.072 1.00 0.00 H new ATOM 0 HH22 ARG A 45 16.521 1.810 11.270 1.00 0.00 H new ATOM 713 N MET A 46 10.548 -2.841 6.812 1.00 0.00 N ATOM 714 CA MET A 46 9.620 -3.723 7.509 1.00 0.00 C ATOM 715 C MET A 46 9.860 -3.685 9.015 1.00 0.00 C ATOM 716 O MET A 46 10.947 -4.017 9.489 1.00 0.00 O ATOM 717 CB MET A 46 9.761 -5.157 6.994 1.00 0.00 C ATOM 718 CG MET A 46 8.982 -5.423 5.717 1.00 0.00 C ATOM 719 SD MET A 46 8.446 -7.139 5.575 1.00 0.00 S ATOM 720 CE MET A 46 7.242 -7.228 6.898 1.00 0.00 C ATOM 0 H MET A 46 11.253 -3.325 6.256 1.00 0.00 H new ATOM 0 HA MET A 46 8.607 -3.372 7.312 1.00 0.00 H new ATOM 0 HB2 MET A 46 10.816 -5.369 6.817 1.00 0.00 H new ATOM 0 HB3 MET A 46 9.422 -5.847 7.767 1.00 0.00 H new ATOM 0 HG2 MET A 46 8.110 -4.770 5.685 1.00 0.00 H new ATOM 0 HG3 MET A 46 9.602 -5.168 4.858 1.00 0.00 H new ATOM 0 HE1 MET A 46 7.372 -8.161 7.446 1.00 0.00 H new ATOM 0 HE2 MET A 46 7.384 -6.387 7.576 1.00 0.00 H new ATOM 0 HE3 MET A 46 6.237 -7.190 6.478 1.00 0.00 H new ATOM 730 N VAL A 47 8.839 -3.278 9.763 1.00 0.00 N ATOM 731 CA VAL A 47 8.940 -3.198 11.215 1.00 0.00 C ATOM 732 C VAL A 47 8.647 -4.547 11.862 1.00 0.00 C ATOM 733 O VAL A 47 9.511 -5.139 12.509 1.00 0.00 O ATOM 734 CB VAL A 47 7.972 -2.145 11.787 1.00 0.00 C ATOM 735 CG1 VAL A 47 8.162 -2.005 13.290 1.00 0.00 C ATOM 736 CG2 VAL A 47 8.166 -0.807 11.090 1.00 0.00 C ATOM 0 H VAL A 47 7.933 -2.999 9.387 1.00 0.00 H new ATOM 0 HA VAL A 47 9.964 -2.903 11.446 1.00 0.00 H new ATOM 0 HB VAL A 47 6.951 -2.479 11.603 1.00 0.00 H new ATOM 0 HG11 VAL A 47 7.470 -1.257 13.676 1.00 0.00 H new ATOM 0 HG12 VAL A 47 7.967 -2.963 13.772 1.00 0.00 H new ATOM 0 HG13 VAL A 47 9.186 -1.695 13.500 1.00 0.00 H new ATOM 0 HG21 VAL A 47 7.474 -0.076 11.507 1.00 0.00 H new ATOM 0 HG22 VAL A 47 9.190 -0.464 11.239 1.00 0.00 H new ATOM 0 HG23 VAL A 47 7.974 -0.921 10.023 1.00 0.00 H new ATOM 746 N THR A 48 7.421 -5.029 11.682 1.00 0.00 N ATOM 747 CA THR A 48 7.013 -6.309 12.248 1.00 0.00 C ATOM 748 C THR A 48 6.405 -7.213 11.182 1.00 0.00 C ATOM 749 O THR A 48 6.372 -6.862 10.002 1.00 0.00 O ATOM 750 CB THR A 48 5.993 -6.119 13.387 1.00 0.00 C ATOM 751 OG1 THR A 48 4.715 -5.766 12.846 1.00 0.00 O ATOM 752 CG2 THR A 48 6.456 -5.041 14.354 1.00 0.00 C ATOM 0 H THR A 48 6.694 -4.552 11.149 1.00 0.00 H new ATOM 0 HA THR A 48 7.911 -6.779 12.649 1.00 0.00 H new ATOM 0 HB THR A 48 5.909 -7.060 13.931 1.00 0.00 H new ATOM 0 HG1 THR A 48 4.072 -5.649 13.576 1.00 0.00 H new ATOM 0 HG21 THR A 48 5.720 -4.925 15.149 1.00 0.00 H new ATOM 0 HG22 THR A 48 7.415 -5.327 14.786 1.00 0.00 H new ATOM 0 HG23 THR A 48 6.566 -4.097 13.821 1.00 0.00 H new ATOM 760 N ASP A 49 5.925 -8.377 11.604 1.00 0.00 N ATOM 761 CA ASP A 49 5.316 -9.332 10.685 1.00 0.00 C ATOM 762 C ASP A 49 3.922 -8.873 10.270 1.00 0.00 C ATOM 763 O ASP A 49 3.278 -9.494 9.424 1.00 0.00 O ATOM 764 CB ASP A 49 5.240 -10.716 11.330 1.00 0.00 C ATOM 765 CG ASP A 49 6.539 -11.113 12.005 1.00 0.00 C ATOM 766 OD1 ASP A 49 7.562 -11.230 11.299 1.00 0.00 O ATOM 767 OD2 ASP A 49 6.531 -11.305 13.238 1.00 0.00 O ATOM 0 H ASP A 49 5.946 -8.683 12.577 1.00 0.00 H new ATOM 0 HA ASP A 49 5.940 -9.390 9.793 1.00 0.00 H new ATOM 0 HB2 ASP A 49 4.434 -10.728 12.064 1.00 0.00 H new ATOM 0 HB3 ASP A 49 4.989 -11.455 10.569 1.00 0.00 H new ATOM 772 N THR A 50 3.460 -7.781 10.872 1.00 0.00 N ATOM 773 CA THR A 50 2.141 -7.241 10.567 1.00 0.00 C ATOM 774 C THR A 50 2.229 -5.775 10.159 1.00 0.00 C ATOM 775 O THR A 50 1.380 -5.273 9.421 1.00 0.00 O ATOM 776 CB THR A 50 1.189 -7.370 11.771 1.00 0.00 C ATOM 777 OG1 THR A 50 1.775 -6.760 12.927 1.00 0.00 O ATOM 778 CG2 THR A 50 0.881 -8.831 12.063 1.00 0.00 C ATOM 0 H THR A 50 3.980 -7.254 11.573 1.00 0.00 H new ATOM 0 HA THR A 50 1.745 -7.824 9.736 1.00 0.00 H new ATOM 0 HB THR A 50 0.257 -6.861 11.525 1.00 0.00 H new ATOM 0 HG1 THR A 50 1.163 -6.845 13.688 1.00 0.00 H new ATOM 0 HG21 THR A 50 0.207 -8.897 12.917 1.00 0.00 H new ATOM 0 HG22 THR A 50 0.408 -9.284 11.192 1.00 0.00 H new ATOM 0 HG23 THR A 50 1.807 -9.360 12.290 1.00 0.00 H new ATOM 786 N LEU A 51 3.262 -5.092 10.641 1.00 0.00 N ATOM 787 CA LEU A 51 3.462 -3.682 10.325 1.00 0.00 C ATOM 788 C LEU A 51 4.587 -3.506 9.310 1.00 0.00 C ATOM 789 O LEU A 51 5.472 -4.353 9.195 1.00 0.00 O ATOM 790 CB LEU A 51 3.779 -2.894 11.597 1.00 0.00 C ATOM 791 CG LEU A 51 2.666 -2.834 12.644 1.00 0.00 C ATOM 792 CD1 LEU A 51 3.169 -2.179 13.921 1.00 0.00 C ATOM 793 CD2 LEU A 51 1.459 -2.085 12.097 1.00 0.00 C ATOM 0 H LEU A 51 3.974 -5.492 11.252 1.00 0.00 H new ATOM 0 HA LEU A 51 2.540 -3.298 9.888 1.00 0.00 H new ATOM 0 HB2 LEU A 51 4.663 -3.331 12.061 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.039 -1.874 11.313 1.00 0.00 H new ATOM 0 HG LEU A 51 2.360 -3.853 12.880 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.363 -2.145 14.654 1.00 0.00 H new ATOM 0 HD12 LEU A 51 4.001 -2.757 14.323 1.00 0.00 H new ATOM 0 HD13 LEU A 51 3.503 -1.165 13.702 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.677 -2.052 12.855 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.751 -1.069 11.832 1.00 0.00 H new ATOM 0 HD23 LEU A 51 1.084 -2.597 11.211 1.00 0.00 H new ATOM 805 N VAL A 52 4.548 -2.397 8.577 1.00 0.00 N ATOM 806 CA VAL A 52 5.566 -2.107 7.575 1.00 0.00 C ATOM 807 C VAL A 52 5.659 -0.610 7.303 1.00 0.00 C ATOM 808 O VAL A 52 4.644 0.061 7.120 1.00 0.00 O ATOM 809 CB VAL A 52 5.276 -2.841 6.252 1.00 0.00 C ATOM 810 CG1 VAL A 52 6.071 -2.222 5.112 1.00 0.00 C ATOM 811 CG2 VAL A 52 5.587 -4.324 6.386 1.00 0.00 C ATOM 0 H VAL A 52 3.822 -1.685 8.659 1.00 0.00 H new ATOM 0 HA VAL A 52 6.516 -2.460 7.977 1.00 0.00 H new ATOM 0 HB VAL A 52 4.216 -2.735 6.023 1.00 0.00 H new ATOM 0 HG11 VAL A 52 5.853 -2.754 4.186 1.00 0.00 H new ATOM 0 HG12 VAL A 52 5.794 -1.174 5.002 1.00 0.00 H new ATOM 0 HG13 VAL A 52 7.137 -2.295 5.330 1.00 0.00 H new ATOM 0 HG21 VAL A 52 5.376 -4.827 5.442 1.00 0.00 H new ATOM 0 HG22 VAL A 52 6.639 -4.454 6.639 1.00 0.00 H new ATOM 0 HG23 VAL A 52 4.969 -4.756 7.173 1.00 0.00 H new ATOM 821 N GLU A 53 6.884 -0.094 7.277 1.00 0.00 N ATOM 822 CA GLU A 53 7.109 1.325 7.028 1.00 0.00 C ATOM 823 C GLU A 53 7.132 1.618 5.531 1.00 0.00 C ATOM 824 O GLU A 53 7.929 1.044 4.787 1.00 0.00 O ATOM 825 CB GLU A 53 8.424 1.776 7.668 1.00 0.00 C ATOM 826 CG GLU A 53 8.428 3.237 8.086 1.00 0.00 C ATOM 827 CD GLU A 53 9.579 3.575 9.013 1.00 0.00 C ATOM 828 OE1 GLU A 53 9.436 3.370 10.237 1.00 0.00 O ATOM 829 OE2 GLU A 53 10.624 4.043 8.514 1.00 0.00 O ATOM 0 H GLU A 53 7.735 -0.637 7.425 1.00 0.00 H new ATOM 0 HA GLU A 53 6.286 1.881 7.477 1.00 0.00 H new ATOM 0 HB2 GLU A 53 8.624 1.156 8.542 1.00 0.00 H new ATOM 0 HB3 GLU A 53 9.238 1.606 6.964 1.00 0.00 H new ATOM 0 HG2 GLU A 53 8.486 3.865 7.197 1.00 0.00 H new ATOM 0 HG3 GLU A 53 7.486 3.472 8.582 1.00 0.00 H new ATOM 836 N VAL A 54 6.252 2.514 5.094 1.00 0.00 N ATOM 837 CA VAL A 54 6.172 2.883 3.686 1.00 0.00 C ATOM 838 C VAL A 54 6.288 4.392 3.507 1.00 0.00 C ATOM 839 O VAL A 54 6.042 5.161 4.438 1.00 0.00 O ATOM 840 CB VAL A 54 4.851 2.403 3.055 1.00 0.00 C ATOM 841 CG1 VAL A 54 4.924 0.918 2.731 1.00 0.00 C ATOM 842 CG2 VAL A 54 3.680 2.698 3.980 1.00 0.00 C ATOM 0 H VAL A 54 5.585 2.997 5.695 1.00 0.00 H new ATOM 0 HA VAL A 54 7.006 2.395 3.182 1.00 0.00 H new ATOM 0 HB VAL A 54 4.694 2.947 2.124 1.00 0.00 H new ATOM 0 HG11 VAL A 54 3.982 0.596 2.286 1.00 0.00 H new ATOM 0 HG12 VAL A 54 5.738 0.738 2.028 1.00 0.00 H new ATOM 0 HG13 VAL A 54 5.104 0.354 3.646 1.00 0.00 H new ATOM 0 HG21 VAL A 54 2.755 2.352 3.518 1.00 0.00 H new ATOM 0 HG22 VAL A 54 3.827 2.182 4.929 1.00 0.00 H new ATOM 0 HG23 VAL A 54 3.618 3.772 4.157 1.00 0.00 H new ATOM 852 N LEU A 55 6.665 4.812 2.304 1.00 0.00 N ATOM 853 CA LEU A 55 6.814 6.231 2.001 1.00 0.00 C ATOM 854 C LEU A 55 5.833 6.662 0.915 1.00 0.00 C ATOM 855 O LEU A 55 5.860 6.144 -0.202 1.00 0.00 O ATOM 856 CB LEU A 55 8.247 6.530 1.557 1.00 0.00 C ATOM 857 CG LEU A 55 8.433 7.766 0.676 1.00 0.00 C ATOM 858 CD1 LEU A 55 7.974 9.018 1.409 1.00 0.00 C ATOM 859 CD2 LEU A 55 9.886 7.901 0.246 1.00 0.00 C ATOM 0 H LEU A 55 6.873 4.190 1.523 1.00 0.00 H new ATOM 0 HA LEU A 55 6.595 6.796 2.907 1.00 0.00 H new ATOM 0 HB2 LEU A 55 8.865 6.647 2.447 1.00 0.00 H new ATOM 0 HB3 LEU A 55 8.627 5.663 1.017 1.00 0.00 H new ATOM 0 HG LEU A 55 7.820 7.647 -0.217 1.00 0.00 H new ATOM 0 HD11 LEU A 55 8.114 9.888 0.767 1.00 0.00 H new ATOM 0 HD12 LEU A 55 6.919 8.923 1.666 1.00 0.00 H new ATOM 0 HD13 LEU A 55 8.560 9.142 2.320 1.00 0.00 H new ATOM 0 HD21 LEU A 55 9.999 8.786 -0.380 1.00 0.00 H new ATOM 0 HD22 LEU A 55 10.519 7.997 1.128 1.00 0.00 H new ATOM 0 HD23 LEU A 55 10.182 7.017 -0.318 1.00 0.00 H new ATOM 871 N LEU A 56 4.969 7.614 1.250 1.00 0.00 N ATOM 872 CA LEU A 56 3.980 8.117 0.303 1.00 0.00 C ATOM 873 C LEU A 56 4.622 9.069 -0.701 1.00 0.00 C ATOM 874 O LEU A 56 4.108 10.159 -0.956 1.00 0.00 O ATOM 875 CB LEU A 56 2.849 8.829 1.046 1.00 0.00 C ATOM 876 CG LEU A 56 2.278 8.096 2.260 1.00 0.00 C ATOM 877 CD1 LEU A 56 1.225 8.948 2.953 1.00 0.00 C ATOM 878 CD2 LEU A 56 1.692 6.754 1.846 1.00 0.00 C ATOM 0 H LEU A 56 4.933 8.053 2.170 1.00 0.00 H new ATOM 0 HA LEU A 56 3.570 7.266 -0.241 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.213 9.803 1.373 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.037 9.012 0.342 1.00 0.00 H new ATOM 0 HG LEU A 56 3.090 7.914 2.964 1.00 0.00 H new ATOM 0 HD11 LEU A 56 0.830 8.409 3.814 1.00 0.00 H new ATOM 0 HD12 LEU A 56 1.675 9.884 3.285 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.414 9.162 2.257 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.290 6.246 2.723 1.00 0.00 H new ATOM 0 HD22 LEU A 56 0.893 6.914 1.122 1.00 0.00 H new ATOM 0 HD23 LEU A 56 2.472 6.139 1.397 1.00 0.00 H new ATOM 890 N TYR A 57 5.748 8.651 -1.269 1.00 0.00 N ATOM 891 CA TYR A 57 6.461 9.466 -2.245 1.00 0.00 C ATOM 892 C TYR A 57 5.485 10.247 -3.120 1.00 0.00 C ATOM 893 O TYR A 57 5.757 11.381 -3.514 1.00 0.00 O ATOM 894 CB TYR A 57 7.355 8.586 -3.120 1.00 0.00 C ATOM 895 CG TYR A 57 6.596 7.535 -3.898 1.00 0.00 C ATOM 896 CD1 TYR A 57 6.074 7.814 -5.155 1.00 0.00 C ATOM 897 CD2 TYR A 57 6.401 6.262 -3.375 1.00 0.00 C ATOM 898 CE1 TYR A 57 5.379 6.857 -5.868 1.00 0.00 C ATOM 899 CE2 TYR A 57 5.709 5.298 -4.082 1.00 0.00 C ATOM 900 CZ TYR A 57 5.199 5.600 -5.328 1.00 0.00 C ATOM 901 OH TYR A 57 4.509 4.644 -6.036 1.00 0.00 O ATOM 0 H TYR A 57 6.187 7.752 -1.070 1.00 0.00 H new ATOM 0 HA TYR A 57 7.083 10.177 -1.701 1.00 0.00 H new ATOM 0 HB2 TYR A 57 7.901 9.219 -3.819 1.00 0.00 H new ATOM 0 HB3 TYR A 57 8.096 8.095 -2.489 1.00 0.00 H new ATOM 0 HD1 TYR A 57 6.214 8.796 -5.582 1.00 0.00 H new ATOM 0 HD2 TYR A 57 6.797 6.023 -2.399 1.00 0.00 H new ATOM 0 HE1 TYR A 57 4.978 7.091 -6.843 1.00 0.00 H new ATOM 0 HE2 TYR A 57 5.568 4.313 -3.662 1.00 0.00 H new ATOM 0 HH TYR A 57 4.473 3.814 -5.516 1.00 0.00 H new ATOM 911 N ASP A 58 4.346 9.631 -3.419 1.00 0.00 N ATOM 912 CA ASP A 58 3.327 10.267 -4.245 1.00 0.00 C ATOM 913 C ASP A 58 2.988 11.657 -3.716 1.00 0.00 C ATOM 914 O ASP A 58 2.962 12.631 -4.469 1.00 0.00 O ATOM 915 CB ASP A 58 2.065 9.404 -4.292 1.00 0.00 C ATOM 916 CG ASP A 58 0.828 10.205 -4.648 1.00 0.00 C ATOM 917 OD1 ASP A 58 0.793 10.779 -5.756 1.00 0.00 O ATOM 918 OD2 ASP A 58 -0.104 10.258 -3.818 1.00 0.00 O ATOM 0 H ASP A 58 4.106 8.692 -3.101 1.00 0.00 H new ATOM 0 HA ASP A 58 3.725 10.369 -5.254 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.201 8.607 -5.023 1.00 0.00 H new ATOM 0 HB3 ASP A 58 1.919 8.927 -3.323 1.00 0.00 H new ATOM 923 N VAL A 59 2.726 11.742 -2.415 1.00 0.00 N ATOM 924 CA VAL A 59 2.389 13.013 -1.784 1.00 0.00 C ATOM 925 C VAL A 59 3.597 13.612 -1.075 1.00 0.00 C ATOM 926 O VAL A 59 3.867 14.807 -1.188 1.00 0.00 O ATOM 927 CB VAL A 59 1.241 12.848 -0.770 1.00 0.00 C ATOM 928 CG1 VAL A 59 -0.017 12.349 -1.464 1.00 0.00 C ATOM 929 CG2 VAL A 59 1.652 11.905 0.350 1.00 0.00 C ATOM 0 H VAL A 59 2.741 10.946 -1.778 1.00 0.00 H new ATOM 0 HA VAL A 59 2.068 13.686 -2.579 1.00 0.00 H new ATOM 0 HB VAL A 59 1.023 13.822 -0.332 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -0.817 12.239 -0.732 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -0.320 13.066 -2.227 1.00 0.00 H new ATOM 0 HG13 VAL A 59 0.183 11.385 -1.931 1.00 0.00 H new ATOM 0 HG21 VAL A 59 0.829 11.800 1.057 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.898 10.929 -0.068 1.00 0.00 H new ATOM 0 HG23 VAL A 59 2.524 12.309 0.865 1.00 0.00 H new ATOM 939 N GLY A 60 4.323 12.773 -0.342 1.00 0.00 N ATOM 940 CA GLY A 60 5.496 13.239 0.376 1.00 0.00 C ATOM 941 C GLY A 60 5.339 13.124 1.879 1.00 0.00 C ATOM 942 O GLY A 60 5.687 14.045 2.619 1.00 0.00 O ATOM 0 H GLY A 60 4.120 11.779 -0.232 1.00 0.00 H new ATOM 0 HA2 GLY A 60 6.365 12.662 0.059 1.00 0.00 H new ATOM 0 HA3 GLY A 60 5.690 14.279 0.113 1.00 0.00 H new ATOM 946 N VAL A 61 4.811 11.992 2.333 1.00 0.00 N ATOM 947 CA VAL A 61 4.608 11.761 3.758 1.00 0.00 C ATOM 948 C VAL A 61 5.111 10.381 4.168 1.00 0.00 C ATOM 949 O VAL A 61 4.701 9.368 3.605 1.00 0.00 O ATOM 950 CB VAL A 61 3.121 11.887 4.141 1.00 0.00 C ATOM 951 CG1 VAL A 61 2.880 11.333 5.537 1.00 0.00 C ATOM 952 CG2 VAL A 61 2.669 13.336 4.048 1.00 0.00 C ATOM 0 H VAL A 61 4.516 11.221 1.734 1.00 0.00 H new ATOM 0 HA VAL A 61 5.178 12.525 4.287 1.00 0.00 H new ATOM 0 HB VAL A 61 2.531 11.300 3.437 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.824 11.431 5.790 1.00 0.00 H new ATOM 0 HG12 VAL A 61 3.164 10.281 5.565 1.00 0.00 H new ATOM 0 HG13 VAL A 61 3.479 11.890 6.258 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.616 13.407 4.322 1.00 0.00 H new ATOM 0 HG22 VAL A 61 3.263 13.947 4.728 1.00 0.00 H new ATOM 0 HG23 VAL A 61 2.803 13.694 3.027 1.00 0.00 H new ATOM 962 N GLU A 62 6.003 10.352 5.154 1.00 0.00 N ATOM 963 CA GLU A 62 6.563 9.096 5.639 1.00 0.00 C ATOM 964 C GLU A 62 5.742 8.548 6.803 1.00 0.00 C ATOM 965 O GLU A 62 5.619 9.190 7.847 1.00 0.00 O ATOM 966 CB GLU A 62 8.016 9.295 6.075 1.00 0.00 C ATOM 967 CG GLU A 62 8.885 9.949 5.014 1.00 0.00 C ATOM 968 CD GLU A 62 10.053 10.714 5.607 1.00 0.00 C ATOM 969 OE1 GLU A 62 10.924 10.075 6.233 1.00 0.00 O ATOM 970 OE2 GLU A 62 10.095 11.951 5.444 1.00 0.00 O ATOM 0 H GLU A 62 6.353 11.183 5.632 1.00 0.00 H new ATOM 0 HA GLU A 62 6.531 8.374 4.823 1.00 0.00 H new ATOM 0 HB2 GLU A 62 8.035 9.907 6.977 1.00 0.00 H new ATOM 0 HB3 GLU A 62 8.444 8.327 6.337 1.00 0.00 H new ATOM 0 HG2 GLU A 62 9.263 9.183 4.337 1.00 0.00 H new ATOM 0 HG3 GLU A 62 8.275 10.628 4.418 1.00 0.00 H new ATOM 977 N LEU A 63 5.182 7.358 6.616 1.00 0.00 N ATOM 978 CA LEU A 63 4.372 6.723 7.649 1.00 0.00 C ATOM 979 C LEU A 63 4.453 5.203 7.547 1.00 0.00 C ATOM 980 O LEU A 63 5.033 4.664 6.604 1.00 0.00 O ATOM 981 CB LEU A 63 2.915 7.176 7.533 1.00 0.00 C ATOM 982 CG LEU A 63 2.000 6.284 6.694 1.00 0.00 C ATOM 983 CD1 LEU A 63 0.577 6.821 6.703 1.00 0.00 C ATOM 984 CD2 LEU A 63 2.522 6.174 5.269 1.00 0.00 C ATOM 0 H LEU A 63 5.274 6.813 5.758 1.00 0.00 H new ATOM 0 HA LEU A 63 4.764 7.025 8.620 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.497 7.249 8.537 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.900 8.180 7.108 1.00 0.00 H new ATOM 0 HG LEU A 63 1.993 5.287 7.134 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -0.060 6.173 6.101 1.00 0.00 H new ATOM 0 HD12 LEU A 63 0.204 6.846 7.727 1.00 0.00 H new ATOM 0 HD13 LEU A 63 0.566 7.829 6.288 1.00 0.00 H new ATOM 0 HD21 LEU A 63 1.858 5.535 4.687 1.00 0.00 H new ATOM 0 HD22 LEU A 63 2.560 7.165 4.818 1.00 0.00 H new ATOM 0 HD23 LEU A 63 3.523 5.742 5.280 1.00 0.00 H new ATOM 996 N VAL A 64 3.866 4.517 8.523 1.00 0.00 N ATOM 997 CA VAL A 64 3.869 3.059 8.541 1.00 0.00 C ATOM 998 C VAL A 64 2.461 2.509 8.740 1.00 0.00 C ATOM 999 O VAL A 64 1.750 2.911 9.661 1.00 0.00 O ATOM 1000 CB VAL A 64 4.783 2.514 9.654 1.00 0.00 C ATOM 1001 CG1 VAL A 64 4.419 3.132 10.995 1.00 0.00 C ATOM 1002 CG2 VAL A 64 4.699 0.996 9.717 1.00 0.00 C ATOM 0 H VAL A 64 3.383 4.948 9.311 1.00 0.00 H new ATOM 0 HA VAL A 64 4.251 2.731 7.574 1.00 0.00 H new ATOM 0 HB VAL A 64 5.812 2.789 9.422 1.00 0.00 H new ATOM 0 HG11 VAL A 64 5.076 2.735 11.769 1.00 0.00 H new ATOM 0 HG12 VAL A 64 4.536 4.214 10.941 1.00 0.00 H new ATOM 0 HG13 VAL A 64 3.384 2.891 11.238 1.00 0.00 H new ATOM 0 HG21 VAL A 64 5.351 0.628 10.509 1.00 0.00 H new ATOM 0 HG22 VAL A 64 3.672 0.697 9.925 1.00 0.00 H new ATOM 0 HG23 VAL A 64 5.014 0.574 8.762 1.00 0.00 H new ATOM 1012 N VAL A 65 2.064 1.586 7.870 1.00 0.00 N ATOM 1013 CA VAL A 65 0.741 0.979 7.950 1.00 0.00 C ATOM 1014 C VAL A 65 0.840 -0.536 8.091 1.00 0.00 C ATOM 1015 O VAL A 65 1.921 -1.111 7.976 1.00 0.00 O ATOM 1016 CB VAL A 65 -0.106 1.313 6.708 1.00 0.00 C ATOM 1017 CG1 VAL A 65 -0.092 2.810 6.439 1.00 0.00 C ATOM 1018 CG2 VAL A 65 0.395 0.541 5.497 1.00 0.00 C ATOM 0 H VAL A 65 2.640 1.242 7.102 1.00 0.00 H new ATOM 0 HA VAL A 65 0.255 1.393 8.834 1.00 0.00 H new ATOM 0 HB VAL A 65 -1.136 1.012 6.901 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -0.696 3.027 5.558 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -0.503 3.338 7.299 1.00 0.00 H new ATOM 0 HG13 VAL A 65 0.933 3.139 6.267 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -0.215 0.790 4.629 1.00 0.00 H new ATOM 0 HG22 VAL A 65 1.433 0.808 5.299 1.00 0.00 H new ATOM 0 HG23 VAL A 65 0.327 -0.529 5.694 1.00 0.00 H new ATOM 1028 N ASN A 66 -0.298 -1.177 8.341 1.00 0.00 N ATOM 1029 CA ASN A 66 -0.340 -2.626 8.499 1.00 0.00 C ATOM 1030 C ASN A 66 -0.378 -3.320 7.140 1.00 0.00 C ATOM 1031 O ASN A 66 -1.104 -2.902 6.238 1.00 0.00 O ATOM 1032 CB ASN A 66 -1.560 -3.035 9.327 1.00 0.00 C ATOM 1033 CG ASN A 66 -1.320 -4.304 10.121 1.00 0.00 C ATOM 1034 OD1 ASN A 66 -0.366 -4.396 10.893 1.00 0.00 O ATOM 1035 ND2 ASN A 66 -2.189 -5.291 9.934 1.00 0.00 N ATOM 0 H ASN A 66 -1.202 -0.716 8.438 1.00 0.00 H new ATOM 0 HA ASN A 66 0.565 -2.936 9.021 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -1.820 -2.226 10.010 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -2.413 -3.180 8.665 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -2.080 -6.169 10.441 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -2.965 -5.170 9.284 1.00 0.00 H new ATOM 1042 N VAL A 67 0.408 -4.383 7.002 1.00 0.00 N ATOM 1043 CA VAL A 67 0.464 -5.136 5.755 1.00 0.00 C ATOM 1044 C VAL A 67 -0.935 -5.505 5.273 1.00 0.00 C ATOM 1045 O VAL A 67 -1.177 -5.625 4.072 1.00 0.00 O ATOM 1046 CB VAL A 67 1.296 -6.422 5.913 1.00 0.00 C ATOM 1047 CG1 VAL A 67 2.758 -6.085 6.167 1.00 0.00 C ATOM 1048 CG2 VAL A 67 0.737 -7.284 7.035 1.00 0.00 C ATOM 0 H VAL A 67 1.015 -4.742 7.739 1.00 0.00 H new ATOM 0 HA VAL A 67 0.942 -4.492 5.017 1.00 0.00 H new ATOM 0 HB VAL A 67 1.235 -6.989 4.984 1.00 0.00 H new ATOM 0 HG11 VAL A 67 3.330 -7.006 6.276 1.00 0.00 H new ATOM 0 HG12 VAL A 67 3.150 -5.511 5.327 1.00 0.00 H new ATOM 0 HG13 VAL A 67 2.842 -5.495 7.080 1.00 0.00 H new ATOM 0 HG21 VAL A 67 1.337 -8.189 7.132 1.00 0.00 H new ATOM 0 HG22 VAL A 67 0.766 -6.727 7.971 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -0.294 -7.555 6.806 1.00 0.00 H new ATOM 1058 N ASP A 68 -1.852 -5.682 6.218 1.00 0.00 N ATOM 1059 CA ASP A 68 -3.228 -6.036 5.890 1.00 0.00 C ATOM 1060 C ASP A 68 -3.815 -5.056 4.878 1.00 0.00 C ATOM 1061 O ASP A 68 -4.548 -5.451 3.970 1.00 0.00 O ATOM 1062 CB ASP A 68 -4.088 -6.057 7.155 1.00 0.00 C ATOM 1063 CG ASP A 68 -5.393 -6.801 6.956 1.00 0.00 C ATOM 1064 OD1 ASP A 68 -5.433 -7.711 6.101 1.00 0.00 O ATOM 1065 OD2 ASP A 68 -6.374 -6.475 7.656 1.00 0.00 O ATOM 0 H ASP A 68 -1.667 -5.586 7.217 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.224 -7.031 5.446 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -3.527 -6.524 7.964 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -4.300 -5.033 7.463 1.00 0.00 H new ATOM 1070 N CYS A 69 -3.489 -3.779 5.041 1.00 0.00 N ATOM 1071 CA CYS A 69 -3.984 -2.742 4.143 1.00 0.00 C ATOM 1072 C CYS A 69 -3.101 -2.627 2.905 1.00 0.00 C ATOM 1073 O CYS A 69 -3.546 -2.167 1.852 1.00 0.00 O ATOM 1074 CB CYS A 69 -4.045 -1.397 4.868 1.00 0.00 C ATOM 1075 SG CYS A 69 -5.500 -1.191 5.922 1.00 0.00 S ATOM 0 H CYS A 69 -2.884 -3.437 5.787 1.00 0.00 H new ATOM 0 HA CYS A 69 -4.989 -3.021 3.825 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -3.149 -1.284 5.478 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -4.029 -0.597 4.128 1.00 0.00 H new ATOM 0 HG CYS A 69 -5.460 -0.024 6.493 1.00 0.00 H new ATOM 1081 N LEU A 70 -1.848 -3.047 3.038 1.00 0.00 N ATOM 1082 CA LEU A 70 -0.900 -2.990 1.930 1.00 0.00 C ATOM 1083 C LEU A 70 -1.347 -3.893 0.785 1.00 0.00 C ATOM 1084 O LEU A 70 -1.717 -5.047 0.999 1.00 0.00 O ATOM 1085 CB LEU A 70 0.495 -3.401 2.405 1.00 0.00 C ATOM 1086 CG LEU A 70 1.298 -2.326 3.139 1.00 0.00 C ATOM 1087 CD1 LEU A 70 2.697 -2.829 3.457 1.00 0.00 C ATOM 1088 CD2 LEU A 70 1.363 -1.051 2.311 1.00 0.00 C ATOM 0 H LEU A 70 -1.464 -3.431 3.902 1.00 0.00 H new ATOM 0 HA LEU A 70 -0.865 -1.963 1.566 1.00 0.00 H new ATOM 0 HB2 LEU A 70 0.393 -4.263 3.064 1.00 0.00 H new ATOM 0 HB3 LEU A 70 1.070 -3.728 1.539 1.00 0.00 H new ATOM 0 HG LEU A 70 0.793 -2.100 4.078 1.00 0.00 H new ATOM 0 HD11 LEU A 70 3.254 -2.051 3.979 1.00 0.00 H new ATOM 0 HD12 LEU A 70 2.630 -3.714 4.090 1.00 0.00 H new ATOM 0 HD13 LEU A 70 3.212 -3.083 2.530 1.00 0.00 H new ATOM 0 HD21 LEU A 70 1.938 -0.297 2.849 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.844 -1.262 1.356 1.00 0.00 H new ATOM 0 HD23 LEU A 70 0.353 -0.680 2.135 1.00 0.00 H new ATOM 1100 N ARG A 71 -1.307 -3.359 -0.432 1.00 0.00 N ATOM 1101 CA ARG A 71 -1.707 -4.117 -1.611 1.00 0.00 C ATOM 1102 C ARG A 71 -0.634 -4.043 -2.694 1.00 0.00 C ATOM 1103 O ARG A 71 0.149 -3.095 -2.744 1.00 0.00 O ATOM 1104 CB ARG A 71 -3.035 -3.590 -2.157 1.00 0.00 C ATOM 1105 CG ARG A 71 -3.812 -4.616 -2.965 1.00 0.00 C ATOM 1106 CD ARG A 71 -4.525 -5.611 -2.063 1.00 0.00 C ATOM 1107 NE ARG A 71 -4.897 -6.829 -2.778 1.00 0.00 N ATOM 1108 CZ ARG A 71 -4.019 -7.734 -3.194 1.00 0.00 C ATOM 1109 NH1 ARG A 71 -2.724 -7.559 -2.967 1.00 0.00 N ATOM 1110 NH2 ARG A 71 -4.434 -8.817 -3.838 1.00 0.00 N ATOM 0 H ARG A 71 -1.002 -2.405 -0.627 1.00 0.00 H new ATOM 0 HA ARG A 71 -1.832 -5.159 -1.317 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -3.652 -3.253 -1.324 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -2.841 -2.719 -2.783 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -4.541 -4.108 -3.596 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -3.132 -5.148 -3.630 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -3.879 -5.867 -1.223 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -5.419 -5.147 -1.647 1.00 0.00 H new ATOM 0 HE ARG A 71 -5.886 -6.993 -2.968 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -2.401 -6.728 -2.472 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -2.051 -8.256 -3.287 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -5.429 -8.956 -4.014 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -3.758 -9.511 -4.157 1.00 0.00 H new ATOM 1124 N LYS A 72 -0.604 -5.051 -3.560 1.00 0.00 N ATOM 1125 CA LYS A 72 0.371 -5.101 -4.643 1.00 0.00 C ATOM 1126 C LYS A 72 0.048 -4.064 -5.714 1.00 0.00 C ATOM 1127 O LYS A 72 -1.118 -3.830 -6.034 1.00 0.00 O ATOM 1128 CB LYS A 72 0.403 -6.499 -5.264 1.00 0.00 C ATOM 1129 CG LYS A 72 1.186 -7.511 -4.445 1.00 0.00 C ATOM 1130 CD LYS A 72 1.795 -8.589 -5.326 1.00 0.00 C ATOM 1131 CE LYS A 72 0.730 -9.527 -5.874 1.00 0.00 C ATOM 1132 NZ LYS A 72 0.114 -10.355 -4.800 1.00 0.00 N ATOM 0 H LYS A 72 -1.244 -5.845 -3.533 1.00 0.00 H new ATOM 0 HA LYS A 72 1.352 -4.873 -4.226 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.619 -6.856 -5.386 1.00 0.00 H new ATOM 0 HB3 LYS A 72 0.840 -6.435 -6.261 1.00 0.00 H new ATOM 0 HG2 LYS A 72 1.976 -7.001 -3.893 1.00 0.00 H new ATOM 0 HG3 LYS A 72 0.528 -7.971 -3.708 1.00 0.00 H new ATOM 0 HD2 LYS A 72 2.333 -8.124 -6.153 1.00 0.00 H new ATOM 0 HD3 LYS A 72 2.525 -9.160 -4.752 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -0.045 -8.945 -6.373 1.00 0.00 H new ATOM 0 HE3 LYS A 72 1.173 -10.179 -6.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -0.396 -11.154 -5.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 0.859 -10.716 -4.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -0.551 -9.773 -4.252 1.00 0.00 H new ATOM 1146 N LEU A 73 1.087 -3.448 -6.267 1.00 0.00 N ATOM 1147 CA LEU A 73 0.914 -2.437 -7.304 1.00 0.00 C ATOM 1148 C LEU A 73 0.881 -3.077 -8.688 1.00 0.00 C ATOM 1149 O LEU A 73 1.921 -3.428 -9.245 1.00 0.00 O ATOM 1150 CB LEU A 73 2.042 -1.407 -7.233 1.00 0.00 C ATOM 1151 CG LEU A 73 1.706 -0.006 -7.746 1.00 0.00 C ATOM 1152 CD1 LEU A 73 1.108 0.841 -6.633 1.00 0.00 C ATOM 1153 CD2 LEU A 73 2.945 0.663 -8.322 1.00 0.00 C ATOM 0 H LEU A 73 2.058 -3.631 -6.015 1.00 0.00 H new ATOM 0 HA LEU A 73 -0.039 -1.936 -7.133 1.00 0.00 H new ATOM 0 HB2 LEU A 73 2.366 -1.324 -6.196 1.00 0.00 H new ATOM 0 HB3 LEU A 73 2.890 -1.787 -7.803 1.00 0.00 H new ATOM 0 HG LEU A 73 0.966 -0.099 -8.541 1.00 0.00 H new ATOM 0 HD11 LEU A 73 0.875 1.834 -7.017 1.00 0.00 H new ATOM 0 HD12 LEU A 73 0.195 0.370 -6.268 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.824 0.926 -5.816 1.00 0.00 H new ATOM 0 HD21 LEU A 73 2.687 1.659 -8.682 1.00 0.00 H new ATOM 0 HD22 LEU A 73 3.708 0.744 -7.548 1.00 0.00 H new ATOM 0 HD23 LEU A 73 3.329 0.066 -9.149 1.00 0.00 H new ATOM 1165 N GLU A 74 -0.320 -3.224 -9.238 1.00 0.00 N ATOM 1166 CA GLU A 74 -0.487 -3.821 -10.558 1.00 0.00 C ATOM 1167 C GLU A 74 0.277 -3.028 -11.614 1.00 0.00 C ATOM 1168 O GLU A 74 0.158 -1.806 -11.693 1.00 0.00 O ATOM 1169 CB GLU A 74 -1.971 -3.887 -10.928 1.00 0.00 C ATOM 1170 CG GLU A 74 -2.771 -4.849 -10.066 1.00 0.00 C ATOM 1171 CD GLU A 74 -2.225 -6.263 -10.109 1.00 0.00 C ATOM 1172 OE1 GLU A 74 -2.484 -6.970 -11.105 1.00 0.00 O ATOM 1173 OE2 GLU A 74 -1.539 -6.663 -9.144 1.00 0.00 O ATOM 0 H GLU A 74 -1.191 -2.938 -8.791 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.083 -4.833 -10.525 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -2.403 -2.890 -10.842 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -2.064 -4.185 -11.972 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -2.770 -4.494 -9.035 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -3.808 -4.854 -10.400 1.00 0.00 H new ATOM 1180 N GLU A 75 1.061 -3.734 -12.424 1.00 0.00 N ATOM 1181 CA GLU A 75 1.845 -3.096 -13.474 1.00 0.00 C ATOM 1182 C GLU A 75 0.944 -2.325 -14.435 1.00 0.00 C ATOM 1183 O GLU A 75 1.358 -1.330 -15.027 1.00 0.00 O ATOM 1184 CB GLU A 75 2.654 -4.142 -14.244 1.00 0.00 C ATOM 1185 CG GLU A 75 1.794 -5.163 -14.969 1.00 0.00 C ATOM 1186 CD GLU A 75 2.576 -5.965 -15.991 1.00 0.00 C ATOM 1187 OE1 GLU A 75 2.707 -5.493 -17.141 1.00 0.00 O ATOM 1188 OE2 GLU A 75 3.058 -7.063 -15.643 1.00 0.00 O ATOM 0 H GLU A 75 1.169 -4.747 -12.373 1.00 0.00 H new ATOM 0 HA GLU A 75 2.530 -2.392 -13.003 1.00 0.00 H new ATOM 0 HB2 GLU A 75 3.291 -3.635 -14.969 1.00 0.00 H new ATOM 0 HB3 GLU A 75 3.314 -4.662 -13.550 1.00 0.00 H new ATOM 0 HG2 GLU A 75 1.352 -5.843 -14.241 1.00 0.00 H new ATOM 0 HG3 GLU A 75 0.971 -4.651 -15.467 1.00 0.00 H new ATOM 1195 N ASN A 76 -0.291 -2.795 -14.583 1.00 0.00 N ATOM 1196 CA ASN A 76 -1.251 -2.151 -15.472 1.00 0.00 C ATOM 1197 C ASN A 76 -1.622 -0.763 -14.959 1.00 0.00 C ATOM 1198 O ASN A 76 -1.525 0.226 -15.687 1.00 0.00 O ATOM 1199 CB ASN A 76 -2.510 -3.011 -15.605 1.00 0.00 C ATOM 1200 CG ASN A 76 -3.390 -2.573 -16.760 1.00 0.00 C ATOM 1201 OD1 ASN A 76 -2.915 -1.968 -17.722 1.00 0.00 O ATOM 1202 ND2 ASN A 76 -4.679 -2.877 -16.670 1.00 0.00 N ATOM 0 H ASN A 76 -0.650 -3.618 -14.099 1.00 0.00 H new ATOM 0 HA ASN A 76 -0.786 -2.044 -16.452 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -2.222 -4.053 -15.746 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -3.081 -2.961 -14.678 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -5.320 -2.608 -17.417 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -5.029 -3.380 -15.854 1.00 0.00 H new ATOM 1209 N LEU A 77 -2.046 -0.696 -13.702 1.00 0.00 N ATOM 1210 CA LEU A 77 -2.430 0.571 -13.090 1.00 0.00 C ATOM 1211 C LEU A 77 -1.245 1.529 -13.030 1.00 0.00 C ATOM 1212 O LEU A 77 -1.414 2.747 -13.068 1.00 0.00 O ATOM 1213 CB LEU A 77 -2.981 0.334 -11.683 1.00 0.00 C ATOM 1214 CG LEU A 77 -4.140 -0.657 -11.574 1.00 0.00 C ATOM 1215 CD1 LEU A 77 -4.575 -0.813 -10.125 1.00 0.00 C ATOM 1216 CD2 LEU A 77 -5.309 -0.208 -12.438 1.00 0.00 C ATOM 0 H LEU A 77 -2.133 -1.505 -13.086 1.00 0.00 H new ATOM 0 HA LEU A 77 -3.207 1.023 -13.707 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.167 -0.019 -11.050 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.308 1.291 -11.277 1.00 0.00 H new ATOM 0 HG LEU A 77 -3.798 -1.627 -11.936 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -5.401 -1.522 -10.067 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -3.738 -1.181 -9.532 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -4.898 0.153 -9.736 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -6.125 -0.925 -12.348 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -5.650 0.773 -12.107 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -4.991 -0.149 -13.479 1.00 0.00 H new ATOM 1228 N LYS A 78 -0.043 0.969 -12.938 1.00 0.00 N ATOM 1229 CA LYS A 78 1.172 1.772 -12.876 1.00 0.00 C ATOM 1230 C LYS A 78 1.430 2.473 -14.206 1.00 0.00 C ATOM 1231 O LYS A 78 1.682 3.678 -14.247 1.00 0.00 O ATOM 1232 CB LYS A 78 2.371 0.893 -12.510 1.00 0.00 C ATOM 1233 CG LYS A 78 3.562 1.677 -11.985 1.00 0.00 C ATOM 1234 CD LYS A 78 4.813 0.817 -11.929 1.00 0.00 C ATOM 1235 CE LYS A 78 5.569 0.846 -13.249 1.00 0.00 C ATOM 1236 NZ LYS A 78 6.034 2.219 -13.591 1.00 0.00 N ATOM 0 H LYS A 78 0.115 -0.038 -12.905 1.00 0.00 H new ATOM 0 HA LYS A 78 1.037 2.531 -12.106 1.00 0.00 H new ATOM 0 HB2 LYS A 78 2.063 0.168 -11.756 1.00 0.00 H new ATOM 0 HB3 LYS A 78 2.678 0.327 -13.390 1.00 0.00 H new ATOM 0 HG2 LYS A 78 3.741 2.541 -12.625 1.00 0.00 H new ATOM 0 HG3 LYS A 78 3.337 2.059 -10.989 1.00 0.00 H new ATOM 0 HD2 LYS A 78 5.463 1.170 -11.128 1.00 0.00 H new ATOM 0 HD3 LYS A 78 4.539 -0.210 -11.688 1.00 0.00 H new ATOM 0 HE2 LYS A 78 6.427 0.176 -13.191 1.00 0.00 H new ATOM 0 HE3 LYS A 78 4.925 0.472 -14.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 6.882 2.159 -14.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 5.282 2.722 -14.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 6.263 2.736 -12.718 1.00 0.00 H new ATOM 1250 N THR A 79 1.364 1.711 -15.294 1.00 0.00 N ATOM 1251 CA THR A 79 1.589 2.259 -16.625 1.00 0.00 C ATOM 1252 C THR A 79 0.307 2.849 -17.202 1.00 0.00 C ATOM 1253 O THR A 79 0.129 2.900 -18.418 1.00 0.00 O ATOM 1254 CB THR A 79 2.126 1.186 -17.591 1.00 0.00 C ATOM 1255 OG1 THR A 79 2.476 1.784 -18.843 1.00 0.00 O ATOM 1256 CG2 THR A 79 1.092 0.094 -17.816 1.00 0.00 C ATOM 0 H THR A 79 1.156 0.712 -15.279 1.00 0.00 H new ATOM 0 HA THR A 79 2.333 3.048 -16.519 1.00 0.00 H new ATOM 0 HB THR A 79 3.013 0.738 -17.143 1.00 0.00 H new ATOM 0 HG1 THR A 79 1.775 2.413 -19.112 1.00 0.00 H new ATOM 0 HG21 THR A 79 1.494 -0.652 -18.501 1.00 0.00 H new ATOM 0 HG22 THR A 79 0.851 -0.380 -16.865 1.00 0.00 H new ATOM 0 HG23 THR A 79 0.189 0.530 -18.243 1.00 0.00 H new ATOM 1264 N MET A 80 -0.583 3.293 -16.320 1.00 0.00 N ATOM 1265 CA MET A 80 -1.848 3.881 -16.743 1.00 0.00 C ATOM 1266 C MET A 80 -1.823 5.398 -16.583 1.00 0.00 C ATOM 1267 O MET A 80 -2.002 5.919 -15.483 1.00 0.00 O ATOM 1268 CB MET A 80 -3.005 3.291 -15.935 1.00 0.00 C ATOM 1269 CG MET A 80 -4.357 3.895 -16.277 1.00 0.00 C ATOM 1270 SD MET A 80 -5.721 3.069 -15.436 1.00 0.00 S ATOM 1271 CE MET A 80 -5.565 3.751 -13.787 1.00 0.00 C ATOM 0 H MET A 80 -0.451 3.257 -15.309 1.00 0.00 H new ATOM 0 HA MET A 80 -1.994 3.647 -17.797 1.00 0.00 H new ATOM 0 HB2 MET A 80 -3.044 2.215 -16.105 1.00 0.00 H new ATOM 0 HB3 MET A 80 -2.808 3.439 -14.873 1.00 0.00 H new ATOM 0 HG2 MET A 80 -4.357 4.951 -16.009 1.00 0.00 H new ATOM 0 HG3 MET A 80 -4.513 3.840 -17.354 1.00 0.00 H new ATOM 0 HE1 MET A 80 -6.364 3.362 -13.155 1.00 0.00 H new ATOM 0 HE2 MET A 80 -4.600 3.469 -13.366 1.00 0.00 H new ATOM 0 HE3 MET A 80 -5.637 4.838 -13.834 1.00 0.00 H new ATOM 1281 N GLY A 81 -1.599 6.102 -17.689 1.00 0.00 N ATOM 1282 CA GLY A 81 -1.554 7.552 -17.649 1.00 0.00 C ATOM 1283 C GLY A 81 -0.172 8.098 -17.947 1.00 0.00 C ATOM 1284 O GLY A 81 0.643 7.428 -18.581 1.00 0.00 O ATOM 0 H GLY A 81 -1.448 5.694 -18.612 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -2.264 7.954 -18.372 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -1.872 7.895 -16.665 1.00 0.00 H new ATOM 1288 N ARG A 82 0.092 9.317 -17.490 1.00 0.00 N ATOM 1289 CA ARG A 82 1.385 9.954 -17.713 1.00 0.00 C ATOM 1290 C ARG A 82 1.493 11.256 -16.925 1.00 0.00 C ATOM 1291 O ARG A 82 0.484 11.853 -16.549 1.00 0.00 O ATOM 1292 CB ARG A 82 1.590 10.229 -19.204 1.00 0.00 C ATOM 1293 CG ARG A 82 0.769 11.397 -19.727 1.00 0.00 C ATOM 1294 CD ARG A 82 1.476 12.108 -20.869 1.00 0.00 C ATOM 1295 NE ARG A 82 2.810 12.566 -20.487 1.00 0.00 N ATOM 1296 CZ ARG A 82 3.544 13.390 -21.227 1.00 0.00 C ATOM 1297 NH1 ARG A 82 3.076 13.844 -22.382 1.00 0.00 N ATOM 1298 NH2 ARG A 82 4.748 13.761 -20.812 1.00 0.00 N ATOM 0 H ARG A 82 -0.572 9.884 -16.963 1.00 0.00 H new ATOM 0 HA ARG A 82 2.162 9.274 -17.365 1.00 0.00 H new ATOM 0 HB2 ARG A 82 2.646 10.428 -19.386 1.00 0.00 H new ATOM 0 HB3 ARG A 82 1.332 9.333 -19.769 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -0.202 11.037 -20.067 1.00 0.00 H new ATOM 0 HG3 ARG A 82 0.582 12.103 -18.918 1.00 0.00 H new ATOM 0 HD2 ARG A 82 1.555 11.434 -21.722 1.00 0.00 H new ATOM 0 HD3 ARG A 82 0.878 12.961 -21.190 1.00 0.00 H new ATOM 0 HE ARG A 82 3.199 12.235 -19.604 1.00 0.00 H new ATOM 0 HH11 ARG A 82 2.151 13.561 -22.704 1.00 0.00 H new ATOM 0 HH12 ARG A 82 3.642 14.476 -22.948 1.00 0.00 H new ATOM 0 HH21 ARG A 82 5.111 13.414 -19.924 1.00 0.00 H new ATOM 0 HH22 ARG A 82 5.311 14.394 -21.381 1.00 0.00 H new ATOM 1312 N LEU A 83 2.724 11.690 -16.677 1.00 0.00 N ATOM 1313 CA LEU A 83 2.966 12.921 -15.933 1.00 0.00 C ATOM 1314 C LEU A 83 2.911 14.135 -16.855 1.00 0.00 C ATOM 1315 O LEU A 83 3.058 14.010 -18.071 1.00 0.00 O ATOM 1316 CB LEU A 83 4.325 12.859 -15.233 1.00 0.00 C ATOM 1317 CG LEU A 83 4.353 12.138 -13.885 1.00 0.00 C ATOM 1318 CD1 LEU A 83 3.675 12.980 -12.815 1.00 0.00 C ATOM 1319 CD2 LEU A 83 3.687 10.774 -13.996 1.00 0.00 C ATOM 0 H LEU A 83 3.570 11.208 -16.980 1.00 0.00 H new ATOM 0 HA LEU A 83 2.182 13.022 -15.183 1.00 0.00 H new ATOM 0 HB2 LEU A 83 5.033 12.367 -15.900 1.00 0.00 H new ATOM 0 HB3 LEU A 83 4.682 13.878 -15.085 1.00 0.00 H new ATOM 0 HG LEU A 83 5.393 11.989 -13.595 1.00 0.00 H new ATOM 0 HD11 LEU A 83 3.705 12.451 -11.863 1.00 0.00 H new ATOM 0 HD12 LEU A 83 4.196 13.932 -12.717 1.00 0.00 H new ATOM 0 HD13 LEU A 83 2.638 13.161 -13.097 1.00 0.00 H new ATOM 0 HD21 LEU A 83 3.716 10.275 -13.027 1.00 0.00 H new ATOM 0 HD22 LEU A 83 2.650 10.900 -14.309 1.00 0.00 H new ATOM 0 HD23 LEU A 83 4.217 10.169 -14.732 1.00 0.00 H new ATOM 1331 N SER A 84 2.700 15.309 -16.268 1.00 0.00 N ATOM 1332 CA SER A 84 2.624 16.545 -17.038 1.00 0.00 C ATOM 1333 C SER A 84 3.901 17.365 -16.876 1.00 0.00 C ATOM 1334 O SER A 84 3.970 18.270 -16.043 1.00 0.00 O ATOM 1335 CB SER A 84 1.415 17.372 -16.597 1.00 0.00 C ATOM 1336 OG SER A 84 1.526 17.753 -15.236 1.00 0.00 O ATOM 0 H SER A 84 2.579 15.430 -15.262 1.00 0.00 H new ATOM 0 HA SER A 84 2.512 16.282 -18.090 1.00 0.00 H new ATOM 0 HB2 SER A 84 1.332 18.262 -17.221 1.00 0.00 H new ATOM 0 HB3 SER A 84 0.502 16.794 -16.743 1.00 0.00 H new ATOM 0 HG SER A 84 2.441 18.052 -15.053 1.00 0.00 H new ATOM 1342 N LEU A 85 4.909 17.042 -17.677 1.00 0.00 N ATOM 1343 CA LEU A 85 6.185 17.747 -17.625 1.00 0.00 C ATOM 1344 C LEU A 85 5.971 19.255 -17.552 1.00 0.00 C ATOM 1345 O LEU A 85 6.437 19.915 -16.623 1.00 0.00 O ATOM 1346 CB LEU A 85 7.034 17.399 -18.849 1.00 0.00 C ATOM 1347 CG LEU A 85 8.334 18.187 -19.010 1.00 0.00 C ATOM 1348 CD1 LEU A 85 9.375 17.711 -18.008 1.00 0.00 C ATOM 1349 CD2 LEU A 85 8.862 18.060 -20.431 1.00 0.00 C ATOM 0 H LEU A 85 4.868 16.296 -18.371 1.00 0.00 H new ATOM 0 HA LEU A 85 6.711 17.429 -16.725 1.00 0.00 H new ATOM 0 HB2 LEU A 85 7.279 16.338 -18.807 1.00 0.00 H new ATOM 0 HB3 LEU A 85 6.428 17.551 -19.742 1.00 0.00 H new ATOM 0 HG LEU A 85 8.125 19.239 -18.814 1.00 0.00 H new ATOM 0 HD11 LEU A 85 10.293 18.283 -18.138 1.00 0.00 H new ATOM 0 HD12 LEU A 85 8.998 17.855 -16.995 1.00 0.00 H new ATOM 0 HD13 LEU A 85 9.581 16.653 -18.172 1.00 0.00 H new ATOM 0 HD21 LEU A 85 9.788 18.627 -20.527 1.00 0.00 H new ATOM 0 HD22 LEU A 85 9.054 17.011 -20.655 1.00 0.00 H new ATOM 0 HD23 LEU A 85 8.123 18.451 -21.130 1.00 0.00 H new TER 1361 LEU A 85