USER MOD reduce.3.24.130724 H: found=0, std=0, add=564, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 562 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 SER OG : rot -26:sc= -0.113 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -0.0229 K(o=-0.023,f=-2!) USER MOD Single : A 45 GLN : amide:sc= -0.0198 X(o=-0.02,f=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot -85:sc= 0.939 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot -62:sc= 0.701 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.703 -14.167 23.754 1.00 0.00 N ATOM 2 CA MET A 1 -2.752 -13.361 24.355 1.00 0.00 C ATOM 3 C MET A 1 -4.112 -14.052 24.233 1.00 0.00 C ATOM 4 O MET A 1 -4.747 -14.361 25.240 1.00 0.00 O ATOM 5 CB MET A 1 -2.808 -11.998 23.662 1.00 0.00 C ATOM 6 CG MET A 1 -2.989 -10.872 24.682 1.00 0.00 C ATOM 7 SD MET A 1 -4.547 -10.044 24.409 1.00 0.00 S ATOM 8 CE MET A 1 -4.211 -8.482 25.204 1.00 0.00 C ATOM 0 H1 MET A 1 -0.791 -13.677 23.850 1.00 0.00 H new ATOM 0 H2 MET A 1 -1.654 -15.088 24.235 1.00 0.00 H new ATOM 0 H3 MET A 1 -1.913 -14.314 22.746 1.00 0.00 H new ATOM 0 HA MET A 1 -2.525 -13.232 25.413 1.00 0.00 H new ATOM 0 HB2 MET A 1 -1.891 -11.836 23.095 1.00 0.00 H new ATOM 0 HB3 MET A 1 -3.631 -11.983 22.948 1.00 0.00 H new ATOM 0 HG2 MET A 1 -2.956 -11.278 25.693 1.00 0.00 H new ATOM 0 HG3 MET A 1 -2.169 -10.159 24.598 1.00 0.00 H new ATOM 0 HE1 MET A 1 -5.087 -7.838 25.126 1.00 0.00 H new ATOM 0 HE2 MET A 1 -3.978 -8.651 26.255 1.00 0.00 H new ATOM 0 HE3 MET A 1 -3.363 -8.001 24.717 1.00 0.00 H new ATOM 18 N SER A 2 -4.518 -14.275 22.992 1.00 0.00 N ATOM 19 CA SER A 2 -5.791 -14.923 22.726 1.00 0.00 C ATOM 20 C SER A 2 -5.778 -15.547 21.329 1.00 0.00 C ATOM 21 O SER A 2 -4.801 -15.413 20.594 1.00 0.00 O ATOM 22 CB SER A 2 -6.951 -13.934 22.856 1.00 0.00 C ATOM 23 OG SER A 2 -7.970 -14.418 23.726 1.00 0.00 O ATOM 0 H SER A 2 -3.988 -14.018 22.159 1.00 0.00 H new ATOM 0 HA SER A 2 -5.936 -15.709 23.467 1.00 0.00 H new ATOM 0 HB2 SER A 2 -6.576 -12.982 23.232 1.00 0.00 H new ATOM 0 HB3 SER A 2 -7.376 -13.742 21.871 1.00 0.00 H new ATOM 0 HG SER A 2 -8.692 -13.757 23.784 1.00 0.00 H new ATOM 29 N LEU A 3 -6.875 -16.215 21.004 1.00 0.00 N ATOM 30 CA LEU A 3 -7.003 -16.860 19.708 1.00 0.00 C ATOM 31 C LEU A 3 -7.892 -16.004 18.803 1.00 0.00 C ATOM 32 O LEU A 3 -7.634 -15.884 17.607 1.00 0.00 O ATOM 33 CB LEU A 3 -7.496 -18.299 19.872 1.00 0.00 C ATOM 34 CG LEU A 3 -6.587 -19.232 20.674 1.00 0.00 C ATOM 35 CD1 LEU A 3 -7.056 -19.339 22.126 1.00 0.00 C ATOM 36 CD2 LEU A 3 -6.479 -20.603 20.004 1.00 0.00 C ATOM 0 H LEU A 3 -7.684 -16.324 21.616 1.00 0.00 H new ATOM 0 HA LEU A 3 -6.030 -16.935 19.222 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -8.474 -18.274 20.353 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -7.640 -18.728 18.880 1.00 0.00 H new ATOM 0 HG LEU A 3 -5.585 -18.802 20.690 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -6.393 -20.008 22.674 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -7.038 -18.352 22.588 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -8.072 -19.733 22.152 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -5.827 -21.246 20.595 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -7.469 -21.054 19.936 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -6.064 -20.487 19.003 1.00 0.00 H new ATOM 48 N GLY A 4 -8.922 -15.432 19.410 1.00 0.00 N ATOM 49 CA GLY A 4 -9.850 -14.591 18.674 1.00 0.00 C ATOM 50 C GLY A 4 -9.162 -13.319 18.176 1.00 0.00 C ATOM 51 O GLY A 4 -9.270 -12.969 17.001 1.00 0.00 O ATOM 0 H GLY A 4 -9.134 -15.535 20.402 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -10.255 -15.145 17.827 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -10.692 -14.326 19.314 1.00 0.00 H new ATOM 55 N VAL A 5 -8.469 -12.661 19.094 1.00 0.00 N ATOM 56 CA VAL A 5 -7.763 -11.435 18.762 1.00 0.00 C ATOM 57 C VAL A 5 -6.731 -11.725 17.671 1.00 0.00 C ATOM 58 O VAL A 5 -6.380 -10.840 16.892 1.00 0.00 O ATOM 59 CB VAL A 5 -7.145 -10.830 20.024 1.00 0.00 C ATOM 60 CG1 VAL A 5 -5.915 -11.624 20.467 1.00 0.00 C ATOM 61 CG2 VAL A 5 -6.798 -9.355 19.812 1.00 0.00 C ATOM 0 H VAL A 5 -8.381 -12.954 20.067 1.00 0.00 H new ATOM 0 HA VAL A 5 -8.454 -10.691 18.366 1.00 0.00 H new ATOM 0 HB VAL A 5 -7.886 -10.889 20.821 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -5.495 -11.173 21.366 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -6.203 -12.654 20.678 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -5.169 -11.612 19.673 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -6.360 -8.949 20.724 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -6.083 -9.263 18.995 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -7.703 -8.800 19.566 1.00 0.00 H new ATOM 71 N LEU A 6 -6.273 -12.968 17.650 1.00 0.00 N ATOM 72 CA LEU A 6 -5.287 -13.386 16.667 1.00 0.00 C ATOM 73 C LEU A 6 -5.905 -13.314 15.269 1.00 0.00 C ATOM 74 O LEU A 6 -5.340 -12.697 14.368 1.00 0.00 O ATOM 75 CB LEU A 6 -4.728 -14.766 17.022 1.00 0.00 C ATOM 76 CG LEU A 6 -3.586 -15.274 16.140 1.00 0.00 C ATOM 77 CD1 LEU A 6 -3.127 -16.664 16.583 1.00 0.00 C ATOM 78 CD2 LEU A 6 -3.980 -15.244 14.662 1.00 0.00 C ATOM 0 H LEU A 6 -6.566 -13.699 18.298 1.00 0.00 H new ATOM 0 HA LEU A 6 -4.432 -12.710 16.674 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -4.379 -14.740 18.054 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -5.543 -15.488 16.979 1.00 0.00 H new ATOM 0 HG LEU A 6 -2.737 -14.602 16.260 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -2.315 -17.001 15.939 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -2.778 -16.620 17.615 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -3.961 -17.363 16.511 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -3.151 -15.610 14.057 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -4.852 -15.879 14.505 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -4.219 -14.221 14.370 1.00 0.00 H new ATOM 90 N ALA A 7 -7.058 -13.954 15.133 1.00 0.00 N ATOM 91 CA ALA A 7 -7.758 -13.970 13.860 1.00 0.00 C ATOM 92 C ALA A 7 -7.979 -12.532 13.386 1.00 0.00 C ATOM 93 O ALA A 7 -7.998 -12.266 12.185 1.00 0.00 O ATOM 94 CB ALA A 7 -9.071 -14.742 14.009 1.00 0.00 C ATOM 0 H ALA A 7 -7.524 -14.465 15.883 1.00 0.00 H new ATOM 0 HA ALA A 7 -7.163 -14.480 13.102 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -9.596 -14.754 13.054 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -8.858 -15.765 14.319 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -9.695 -14.257 14.760 1.00 0.00 H new ATOM 100 N ALA A 8 -8.141 -11.642 14.354 1.00 0.00 N ATOM 101 CA ALA A 8 -8.359 -10.238 14.051 1.00 0.00 C ATOM 102 C ALA A 8 -7.068 -9.633 13.495 1.00 0.00 C ATOM 103 O ALA A 8 -7.109 -8.757 12.633 1.00 0.00 O ATOM 104 CB ALA A 8 -8.849 -9.514 15.307 1.00 0.00 C ATOM 0 H ALA A 8 -8.126 -11.866 15.349 1.00 0.00 H new ATOM 0 HA ALA A 8 -9.130 -10.126 13.289 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -9.012 -8.461 15.079 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -9.784 -9.962 15.644 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -8.100 -9.603 16.094 1.00 0.00 H new ATOM 110 N ALA A 9 -5.952 -10.125 14.013 1.00 0.00 N ATOM 111 CA ALA A 9 -4.651 -9.644 13.580 1.00 0.00 C ATOM 112 C ALA A 9 -4.412 -10.068 12.129 1.00 0.00 C ATOM 113 O ALA A 9 -3.751 -9.359 11.372 1.00 0.00 O ATOM 114 CB ALA A 9 -3.571 -10.172 14.526 1.00 0.00 C ATOM 0 H ALA A 9 -5.922 -10.852 14.728 1.00 0.00 H new ATOM 0 HA ALA A 9 -4.613 -8.555 13.616 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -2.595 -9.811 14.201 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -3.770 -9.820 15.538 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -3.578 -11.262 14.514 1.00 0.00 H new ATOM 120 N ILE A 10 -4.965 -11.222 11.785 1.00 0.00 N ATOM 121 CA ILE A 10 -4.820 -11.749 10.439 1.00 0.00 C ATOM 122 C ILE A 10 -5.787 -11.018 9.504 1.00 0.00 C ATOM 123 O ILE A 10 -5.380 -10.506 8.462 1.00 0.00 O ATOM 124 CB ILE A 10 -4.993 -13.269 10.436 1.00 0.00 C ATOM 125 CG1 ILE A 10 -3.646 -13.974 10.601 1.00 0.00 C ATOM 126 CG2 ILE A 10 -5.735 -13.734 9.182 1.00 0.00 C ATOM 127 CD1 ILE A 10 -3.763 -15.165 11.554 1.00 0.00 C ATOM 0 H ILE A 10 -5.514 -11.807 12.415 1.00 0.00 H new ATOM 0 HA ILE A 10 -3.813 -11.566 10.065 1.00 0.00 H new ATOM 0 HB ILE A 10 -5.607 -13.545 11.293 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -3.289 -14.315 9.629 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -2.907 -13.269 10.983 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -5.845 -14.818 9.205 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -6.721 -13.270 9.150 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -5.169 -13.445 8.296 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -2.791 -15.648 11.653 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -4.097 -14.817 12.532 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -4.484 -15.879 11.157 1.00 0.00 H new ATOM 139 N ALA A 11 -7.048 -10.994 9.910 1.00 0.00 N ATOM 140 CA ALA A 11 -8.075 -10.335 9.121 1.00 0.00 C ATOM 141 C ALA A 11 -7.678 -8.876 8.892 1.00 0.00 C ATOM 142 O ALA A 11 -8.120 -8.252 7.928 1.00 0.00 O ATOM 143 CB ALA A 11 -9.425 -10.468 9.829 1.00 0.00 C ATOM 0 H ALA A 11 -7.382 -11.420 10.775 1.00 0.00 H new ATOM 0 HA ALA A 11 -8.171 -10.807 8.143 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -10.196 -9.974 9.238 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -9.674 -11.523 9.942 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -9.367 -10.002 10.813 1.00 0.00 H new ATOM 149 N VAL A 12 -6.848 -8.373 9.794 1.00 0.00 N ATOM 150 CA VAL A 12 -6.387 -6.998 9.703 1.00 0.00 C ATOM 151 C VAL A 12 -5.310 -6.897 8.621 1.00 0.00 C ATOM 152 O VAL A 12 -5.414 -6.075 7.711 1.00 0.00 O ATOM 153 CB VAL A 12 -5.906 -6.515 11.073 1.00 0.00 C ATOM 154 CG1 VAL A 12 -4.735 -5.541 10.930 1.00 0.00 C ATOM 155 CG2 VAL A 12 -7.051 -5.883 11.865 1.00 0.00 C ATOM 0 H VAL A 12 -6.483 -8.893 10.592 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.205 -6.339 9.411 1.00 0.00 H new ATOM 0 HB VAL A 12 -5.554 -7.383 11.630 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -4.412 -5.213 11.918 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -3.907 -6.039 10.424 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -5.050 -4.677 10.345 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -6.682 -5.548 12.834 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -7.447 -5.030 11.314 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -7.841 -6.619 12.012 1.00 0.00 H new ATOM 165 N GLY A 13 -4.300 -7.745 8.755 1.00 0.00 N ATOM 166 CA GLY A 13 -3.205 -7.761 7.800 1.00 0.00 C ATOM 167 C GLY A 13 -3.728 -7.895 6.369 1.00 0.00 C ATOM 168 O GLY A 13 -3.198 -7.273 5.449 1.00 0.00 O ATOM 0 H GLY A 13 -4.217 -8.426 9.510 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -2.622 -6.845 7.894 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -2.534 -8.590 8.025 1.00 0.00 H new ATOM 172 N LEU A 14 -4.762 -8.712 6.224 1.00 0.00 N ATOM 173 CA LEU A 14 -5.362 -8.936 4.920 1.00 0.00 C ATOM 174 C LEU A 14 -6.143 -7.688 4.502 1.00 0.00 C ATOM 175 O LEU A 14 -6.213 -7.362 3.318 1.00 0.00 O ATOM 176 CB LEU A 14 -6.203 -10.213 4.929 1.00 0.00 C ATOM 177 CG LEU A 14 -7.411 -10.228 3.991 1.00 0.00 C ATOM 178 CD1 LEU A 14 -6.969 -10.165 2.528 1.00 0.00 C ATOM 179 CD2 LEU A 14 -8.306 -11.438 4.268 1.00 0.00 C ATOM 0 H LEU A 14 -5.199 -9.227 6.989 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.590 -9.096 4.168 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -5.557 -11.052 4.670 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -6.556 -10.385 5.946 1.00 0.00 H new ATOM 0 HG LEU A 14 -8.006 -9.336 4.187 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -7.847 -10.177 1.882 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -6.405 -9.248 2.357 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -6.339 -11.025 2.301 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -9.157 -11.424 3.587 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -7.736 -12.355 4.117 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -8.664 -11.398 5.297 1.00 0.00 H new ATOM 191 N GLY A 15 -6.712 -7.024 5.498 1.00 0.00 N ATOM 192 CA GLY A 15 -7.485 -5.820 5.248 1.00 0.00 C ATOM 193 C GLY A 15 -6.585 -4.679 4.768 1.00 0.00 C ATOM 194 O GLY A 15 -6.840 -4.080 3.725 1.00 0.00 O ATOM 0 H GLY A 15 -6.653 -7.297 6.479 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -8.250 -6.024 4.499 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -8.003 -5.521 6.159 1.00 0.00 H new ATOM 198 N ALA A 16 -5.551 -4.414 5.553 1.00 0.00 N ATOM 199 CA ALA A 16 -4.612 -3.356 5.221 1.00 0.00 C ATOM 200 C ALA A 16 -3.825 -3.753 3.970 1.00 0.00 C ATOM 201 O ALA A 16 -3.204 -2.907 3.329 1.00 0.00 O ATOM 202 CB ALA A 16 -3.702 -3.086 6.421 1.00 0.00 C ATOM 0 H ALA A 16 -5.343 -4.913 6.418 1.00 0.00 H new ATOM 0 HA ALA A 16 -5.141 -2.429 4.998 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -2.998 -2.292 6.172 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -4.307 -2.780 7.275 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -3.153 -3.993 6.672 1.00 0.00 H new ATOM 208 N LEU A 17 -3.876 -5.040 3.661 1.00 0.00 N ATOM 209 CA LEU A 17 -3.176 -5.560 2.499 1.00 0.00 C ATOM 210 C LEU A 17 -3.832 -5.015 1.228 1.00 0.00 C ATOM 211 O LEU A 17 -3.182 -4.342 0.429 1.00 0.00 O ATOM 212 CB LEU A 17 -3.111 -7.087 2.551 1.00 0.00 C ATOM 213 CG LEU A 17 -2.890 -7.795 1.212 1.00 0.00 C ATOM 214 CD1 LEU A 17 -1.565 -8.560 1.209 1.00 0.00 C ATOM 215 CD2 LEU A 17 -4.075 -8.699 0.868 1.00 0.00 C ATOM 0 H LEU A 17 -4.392 -5.739 4.196 1.00 0.00 H new ATOM 0 HA LEU A 17 -2.140 -5.220 2.495 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.306 -7.374 3.228 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -4.040 -7.456 2.985 1.00 0.00 H new ATOM 0 HG LEU A 17 -2.826 -7.037 0.431 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.432 -9.054 0.246 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.743 -7.864 1.376 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.575 -9.308 2.002 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.893 -9.190 -0.088 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.195 -9.453 1.646 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -4.983 -8.099 0.800 1.00 0.00 H new ATOM 227 N GLY A 18 -5.112 -5.326 1.081 1.00 0.00 N ATOM 228 CA GLY A 18 -5.863 -4.877 -0.079 1.00 0.00 C ATOM 229 C GLY A 18 -6.176 -3.382 0.016 1.00 0.00 C ATOM 230 O GLY A 18 -6.118 -2.667 -0.983 1.00 0.00 O ATOM 0 H GLY A 18 -5.648 -5.884 1.746 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -5.292 -5.076 -0.986 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -6.792 -5.442 -0.157 1.00 0.00 H new ATOM 234 N ALA A 19 -6.500 -2.954 1.228 1.00 0.00 N ATOM 235 CA ALA A 19 -6.823 -1.558 1.466 1.00 0.00 C ATOM 236 C ALA A 19 -5.576 -0.703 1.232 1.00 0.00 C ATOM 237 O ALA A 19 -5.680 0.463 0.855 1.00 0.00 O ATOM 238 CB ALA A 19 -7.382 -1.397 2.882 1.00 0.00 C ATOM 0 H ALA A 19 -6.546 -3.550 2.055 1.00 0.00 H new ATOM 0 HA ALA A 19 -7.591 -1.219 0.771 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -7.624 -0.349 3.061 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -8.283 -2.001 2.988 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -6.637 -1.726 3.607 1.00 0.00 H new ATOM 244 N GLY A 20 -4.425 -1.317 1.465 1.00 0.00 N ATOM 245 CA GLY A 20 -3.159 -0.627 1.283 1.00 0.00 C ATOM 246 C GLY A 20 -2.910 -0.318 -0.194 1.00 0.00 C ATOM 247 O GLY A 20 -2.579 0.813 -0.548 1.00 0.00 O ATOM 0 H GLY A 20 -4.343 -2.284 1.778 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -3.160 0.300 1.857 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -2.347 -1.241 1.672 1.00 0.00 H new ATOM 251 N ILE A 21 -3.078 -1.343 -1.017 1.00 0.00 N ATOM 252 CA ILE A 21 -2.876 -1.195 -2.448 1.00 0.00 C ATOM 253 C ILE A 21 -3.977 -0.303 -3.025 1.00 0.00 C ATOM 254 O ILE A 21 -3.733 0.474 -3.946 1.00 0.00 O ATOM 255 CB ILE A 21 -2.779 -2.566 -3.120 1.00 0.00 C ATOM 256 CG1 ILE A 21 -1.938 -2.492 -4.397 1.00 0.00 C ATOM 257 CG2 ILE A 21 -4.169 -3.147 -3.383 1.00 0.00 C ATOM 258 CD1 ILE A 21 -1.169 -3.796 -4.623 1.00 0.00 C ATOM 0 H ILE A 21 -3.352 -2.279 -0.720 1.00 0.00 H new ATOM 0 HA ILE A 21 -1.926 -0.699 -2.649 1.00 0.00 H new ATOM 0 HB ILE A 21 -2.270 -3.246 -2.437 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -2.585 -2.294 -5.252 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -1.238 -1.660 -4.328 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -4.071 -4.122 -3.861 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -4.702 -3.258 -2.439 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -4.726 -2.476 -4.037 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -0.580 -3.717 -5.537 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -0.505 -3.978 -3.778 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -1.874 -4.622 -4.716 1.00 0.00 H new ATOM 270 N GLY A 22 -5.167 -0.446 -2.459 1.00 0.00 N ATOM 271 CA GLY A 22 -6.307 0.337 -2.905 1.00 0.00 C ATOM 272 C GLY A 22 -6.170 1.799 -2.475 1.00 0.00 C ATOM 273 O GLY A 22 -6.424 2.708 -3.264 1.00 0.00 O ATOM 0 H GLY A 22 -5.366 -1.092 -1.696 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -6.390 0.280 -3.990 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -7.225 -0.083 -2.493 1.00 0.00 H new ATOM 277 N ASN A 23 -5.770 1.980 -1.225 1.00 0.00 N ATOM 278 CA ASN A 23 -5.597 3.315 -0.680 1.00 0.00 C ATOM 279 C ASN A 23 -4.385 3.977 -1.338 1.00 0.00 C ATOM 280 O ASN A 23 -4.319 5.201 -1.437 1.00 0.00 O ATOM 281 CB ASN A 23 -5.349 3.267 0.829 1.00 0.00 C ATOM 282 CG ASN A 23 -5.355 4.674 1.431 1.00 0.00 C ATOM 283 OD1 ASN A 23 -4.323 5.258 1.718 1.00 0.00 O ATOM 284 ND2 ASN A 23 -6.571 5.182 1.606 1.00 0.00 N ATOM 0 H ASN A 23 -5.561 1.223 -0.574 1.00 0.00 H new ATOM 0 HA ASN A 23 -6.508 3.880 -0.877 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -6.117 2.659 1.308 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -4.391 2.786 1.029 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -6.682 6.115 2.002 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -7.393 4.639 1.344 1.00 0.00 H new ATOM 291 N GLY A 24 -3.455 3.138 -1.770 1.00 0.00 N ATOM 292 CA GLY A 24 -2.249 3.626 -2.416 1.00 0.00 C ATOM 293 C GLY A 24 -2.536 4.068 -3.853 1.00 0.00 C ATOM 294 O GLY A 24 -1.869 4.958 -4.377 1.00 0.00 O ATOM 0 H GLY A 24 -3.513 2.123 -1.685 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -1.842 4.463 -1.849 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -1.491 2.843 -2.417 1.00 0.00 H new ATOM 298 N LEU A 25 -3.530 3.425 -4.448 1.00 0.00 N ATOM 299 CA LEU A 25 -3.914 3.741 -5.813 1.00 0.00 C ATOM 300 C LEU A 25 -4.656 5.079 -5.833 1.00 0.00 C ATOM 301 O LEU A 25 -4.535 5.846 -6.787 1.00 0.00 O ATOM 302 CB LEU A 25 -4.709 2.587 -6.427 1.00 0.00 C ATOM 303 CG LEU A 25 -3.892 1.375 -6.878 1.00 0.00 C ATOM 304 CD1 LEU A 25 -4.566 0.070 -6.449 1.00 0.00 C ATOM 305 CD2 LEU A 25 -3.633 1.418 -8.385 1.00 0.00 C ATOM 0 H LEU A 25 -4.081 2.687 -4.010 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.030 3.857 -6.440 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.447 2.252 -5.698 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -5.260 2.969 -7.286 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.921 1.414 -6.384 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.965 -0.776 -6.782 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -4.656 0.047 -5.363 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -5.558 0.009 -6.896 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.050 0.545 -8.679 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -4.584 1.416 -8.918 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.080 2.324 -8.633 1.00 0.00 H new ATOM 317 N ILE A 26 -5.408 5.318 -4.769 1.00 0.00 N ATOM 318 CA ILE A 26 -6.170 6.550 -4.652 1.00 0.00 C ATOM 319 C ILE A 26 -5.206 7.735 -4.576 1.00 0.00 C ATOM 320 O ILE A 26 -5.379 8.727 -5.282 1.00 0.00 O ATOM 321 CB ILE A 26 -7.140 6.469 -3.472 1.00 0.00 C ATOM 322 CG1 ILE A 26 -8.341 5.583 -3.810 1.00 0.00 C ATOM 323 CG2 ILE A 26 -7.568 7.866 -3.019 1.00 0.00 C ATOM 324 CD1 ILE A 26 -9.049 6.076 -5.074 1.00 0.00 C ATOM 0 H ILE A 26 -5.506 4.679 -3.980 1.00 0.00 H new ATOM 0 HA ILE A 26 -6.791 6.700 -5.535 1.00 0.00 H new ATOM 0 HB ILE A 26 -6.622 6.003 -2.634 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -8.010 4.554 -3.952 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -9.041 5.580 -2.975 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -8.257 7.781 -2.179 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -6.690 8.434 -2.712 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -8.062 8.380 -3.843 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -9.898 5.428 -5.291 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -9.400 7.096 -4.920 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -8.353 6.055 -5.913 1.00 0.00 H new ATOM 336 N VAL A 27 -4.210 7.593 -3.713 1.00 0.00 N ATOM 337 CA VAL A 27 -3.219 8.640 -3.535 1.00 0.00 C ATOM 338 C VAL A 27 -2.371 8.754 -4.804 1.00 0.00 C ATOM 339 O VAL A 27 -1.998 9.854 -5.208 1.00 0.00 O ATOM 340 CB VAL A 27 -2.385 8.363 -2.282 1.00 0.00 C ATOM 341 CG1 VAL A 27 -1.596 7.060 -2.425 1.00 0.00 C ATOM 342 CG2 VAL A 27 -1.453 9.537 -1.974 1.00 0.00 C ATOM 0 H VAL A 27 -4.069 6.768 -3.130 1.00 0.00 H new ATOM 0 HA VAL A 27 -3.704 9.604 -3.380 1.00 0.00 H new ATOM 0 HB VAL A 27 -3.070 8.249 -1.442 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.012 6.887 -1.521 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.287 6.231 -2.575 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.926 7.133 -3.281 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.872 9.315 -1.079 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.778 9.696 -2.815 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.045 10.437 -1.808 1.00 0.00 H new ATOM 352 N SER A 28 -2.092 7.603 -5.397 1.00 0.00 N ATOM 353 CA SER A 28 -1.295 7.560 -6.611 1.00 0.00 C ATOM 354 C SER A 28 -2.051 8.238 -7.756 1.00 0.00 C ATOM 355 O SER A 28 -1.437 8.778 -8.675 1.00 0.00 O ATOM 356 CB SER A 28 -0.942 6.120 -6.988 1.00 0.00 C ATOM 357 OG SER A 28 -2.034 5.448 -7.611 1.00 0.00 O ATOM 0 H SER A 28 -2.404 6.692 -5.059 1.00 0.00 H new ATOM 0 HA SER A 28 -0.364 8.097 -6.429 1.00 0.00 H new ATOM 0 HB2 SER A 28 -0.085 6.121 -7.662 1.00 0.00 H new ATOM 0 HB3 SER A 28 -0.643 5.574 -6.093 1.00 0.00 H new ATOM 0 HG SER A 28 -2.877 5.851 -7.316 1.00 0.00 H new ATOM 363 N ARG A 29 -3.371 8.188 -7.663 1.00 0.00 N ATOM 364 CA ARG A 29 -4.216 8.790 -8.680 1.00 0.00 C ATOM 365 C ARG A 29 -4.199 10.315 -8.550 1.00 0.00 C ATOM 366 O ARG A 29 -4.290 11.028 -9.548 1.00 0.00 O ATOM 367 CB ARG A 29 -5.658 8.292 -8.564 1.00 0.00 C ATOM 368 CG ARG A 29 -5.824 6.929 -9.239 1.00 0.00 C ATOM 369 CD ARG A 29 -5.761 7.061 -10.762 1.00 0.00 C ATOM 370 NE ARG A 29 -6.786 6.195 -11.387 1.00 0.00 N ATOM 371 CZ ARG A 29 -6.781 5.837 -12.678 1.00 0.00 C ATOM 372 NH1 ARG A 29 -5.805 6.268 -13.489 1.00 0.00 N ATOM 373 NH2 ARG A 29 -7.751 5.048 -13.159 1.00 0.00 N ATOM 0 H ARG A 29 -3.877 7.740 -6.899 1.00 0.00 H new ATOM 0 HA ARG A 29 -3.820 8.500 -9.653 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -5.937 8.218 -7.513 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -6.334 9.014 -9.023 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -5.042 6.252 -8.896 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -6.777 6.488 -8.948 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -5.923 8.099 -11.053 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -4.770 6.781 -11.119 1.00 0.00 H new ATOM 0 HE ARG A 29 -7.543 5.849 -10.798 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -5.066 6.869 -13.123 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -5.801 5.995 -14.472 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -8.494 4.719 -12.542 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -7.747 4.776 -14.142 1.00 0.00 H new ATOM 387 N THR A 30 -4.081 10.770 -7.311 1.00 0.00 N ATOM 388 CA THR A 30 -4.049 12.196 -7.037 1.00 0.00 C ATOM 389 C THR A 30 -2.734 12.805 -7.528 1.00 0.00 C ATOM 390 O THR A 30 -2.728 13.880 -8.126 1.00 0.00 O ATOM 391 CB THR A 30 -4.290 12.396 -5.539 1.00 0.00 C ATOM 392 OG1 THR A 30 -5.237 13.458 -5.478 1.00 0.00 O ATOM 393 CG2 THR A 30 -3.060 12.951 -4.817 1.00 0.00 C ATOM 0 H THR A 30 -4.006 10.176 -6.486 1.00 0.00 H new ATOM 0 HA THR A 30 -4.836 12.720 -7.580 1.00 0.00 H new ATOM 0 HB THR A 30 -4.578 11.446 -5.088 1.00 0.00 H new ATOM 0 HG1 THR A 30 -5.451 13.652 -4.542 1.00 0.00 H new ATOM 0 HG21 THR A 30 -3.285 13.074 -3.758 1.00 0.00 H new ATOM 0 HG22 THR A 30 -2.227 12.258 -4.933 1.00 0.00 H new ATOM 0 HG23 THR A 30 -2.792 13.917 -5.245 1.00 0.00 H new ATOM 401 N ILE A 31 -1.651 12.091 -7.256 1.00 0.00 N ATOM 402 CA ILE A 31 -0.333 12.548 -7.662 1.00 0.00 C ATOM 403 C ILE A 31 -0.226 12.492 -9.187 1.00 0.00 C ATOM 404 O ILE A 31 0.393 13.359 -9.802 1.00 0.00 O ATOM 405 CB ILE A 31 0.756 11.752 -6.939 1.00 0.00 C ATOM 406 CG1 ILE A 31 0.671 10.265 -7.289 1.00 0.00 C ATOM 407 CG2 ILE A 31 0.697 11.990 -5.429 1.00 0.00 C ATOM 408 CD1 ILE A 31 1.603 9.439 -6.400 1.00 0.00 C ATOM 0 H ILE A 31 -1.660 11.200 -6.760 1.00 0.00 H new ATOM 0 HA ILE A 31 -0.183 13.587 -7.370 1.00 0.00 H new ATOM 0 HB ILE A 31 1.727 12.109 -7.283 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -0.355 9.917 -7.169 1.00 0.00 H new ATOM 0 HG13 ILE A 31 0.936 10.118 -8.336 1.00 0.00 H new ATOM 0 HG21 ILE A 31 1.481 11.413 -4.939 1.00 0.00 H new ATOM 0 HG22 ILE A 31 0.843 13.050 -5.222 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -0.275 11.677 -5.049 1.00 0.00 H new ATOM 0 HD11 ILE A 31 1.524 8.386 -6.669 1.00 0.00 H new ATOM 0 HD12 ILE A 31 2.631 9.773 -6.541 1.00 0.00 H new ATOM 0 HD13 ILE A 31 1.319 9.569 -5.356 1.00 0.00 H new ATOM 420 N GLU A 32 -0.838 11.462 -9.754 1.00 0.00 N ATOM 421 CA GLU A 32 -0.819 11.282 -11.195 1.00 0.00 C ATOM 422 C GLU A 32 -1.654 12.367 -11.877 1.00 0.00 C ATOM 423 O GLU A 32 -1.437 12.680 -13.047 1.00 0.00 O ATOM 424 CB GLU A 32 -1.315 9.886 -11.579 1.00 0.00 C ATOM 425 CG GLU A 32 -0.142 8.937 -11.828 1.00 0.00 C ATOM 426 CD GLU A 32 -0.453 7.968 -12.972 1.00 0.00 C ATOM 427 OE1 GLU A 32 -1.102 8.422 -13.938 1.00 0.00 O ATOM 428 OE2 GLU A 32 -0.034 6.797 -12.853 1.00 0.00 O ATOM 0 H GLU A 32 -1.350 10.744 -9.241 1.00 0.00 H new ATOM 0 HA GLU A 32 0.211 11.374 -11.540 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -1.946 9.489 -10.784 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -1.933 9.949 -12.475 1.00 0.00 H new ATOM 0 HG2 GLU A 32 0.752 9.513 -12.068 1.00 0.00 H new ATOM 0 HG3 GLU A 32 0.075 8.375 -10.920 1.00 0.00 H new ATOM 435 N GLY A 33 -2.593 12.912 -11.117 1.00 0.00 N ATOM 436 CA GLY A 33 -3.461 13.956 -11.633 1.00 0.00 C ATOM 437 C GLY A 33 -2.765 15.318 -11.594 1.00 0.00 C ATOM 438 O GLY A 33 -2.874 16.103 -12.535 1.00 0.00 O ATOM 0 H GLY A 33 -2.771 12.650 -10.148 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -3.750 13.720 -12.657 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -4.378 13.995 -11.045 1.00 0.00 H new ATOM 442 N ILE A 34 -2.066 15.558 -10.494 1.00 0.00 N ATOM 443 CA ILE A 34 -1.352 16.811 -10.319 1.00 0.00 C ATOM 444 C ILE A 34 -0.070 16.784 -11.153 1.00 0.00 C ATOM 445 O ILE A 34 0.373 17.817 -11.651 1.00 0.00 O ATOM 446 CB ILE A 34 -1.114 17.089 -8.834 1.00 0.00 C ATOM 447 CG1 ILE A 34 -0.222 16.013 -8.211 1.00 0.00 C ATOM 448 CG2 ILE A 34 -2.439 17.239 -8.084 1.00 0.00 C ATOM 449 CD1 ILE A 34 1.242 16.459 -8.190 1.00 0.00 C ATOM 0 H ILE A 34 -1.979 14.905 -9.715 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.952 17.645 -10.684 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.585 18.038 -8.745 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -0.556 15.802 -7.195 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -0.315 15.086 -8.776 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -2.240 17.436 -7.030 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -3.005 18.068 -8.508 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -3.017 16.320 -8.179 1.00 0.00 H new ATOM 0 HD11 ILE A 34 1.854 15.676 -7.742 1.00 0.00 H new ATOM 0 HD12 ILE A 34 1.580 16.646 -9.209 1.00 0.00 H new ATOM 0 HD13 ILE A 34 1.336 17.373 -7.603 1.00 0.00 H new ATOM 461 N ALA A 35 0.490 15.590 -11.280 1.00 0.00 N ATOM 462 CA ALA A 35 1.713 15.414 -12.045 1.00 0.00 C ATOM 463 C ALA A 35 1.430 15.693 -13.522 1.00 0.00 C ATOM 464 O ALA A 35 2.297 16.184 -14.243 1.00 0.00 O ATOM 465 CB ALA A 35 2.263 14.005 -11.813 1.00 0.00 C ATOM 0 H ALA A 35 0.119 14.735 -10.866 1.00 0.00 H new ATOM 0 HA ALA A 35 2.476 16.120 -11.716 1.00 0.00 H new ATOM 0 HB1 ALA A 35 3.180 13.873 -12.387 1.00 0.00 H new ATOM 0 HB2 ALA A 35 2.475 13.867 -10.753 1.00 0.00 H new ATOM 0 HB3 ALA A 35 1.526 13.269 -12.134 1.00 0.00 H new ATOM 471 N ARG A 36 0.212 15.367 -13.930 1.00 0.00 N ATOM 472 CA ARG A 36 -0.197 15.576 -15.309 1.00 0.00 C ATOM 473 C ARG A 36 0.167 16.992 -15.761 1.00 0.00 C ATOM 474 O ARG A 36 0.466 17.215 -16.933 1.00 0.00 O ATOM 475 CB ARG A 36 -1.704 15.368 -15.474 1.00 0.00 C ATOM 476 CG ARG A 36 -2.015 13.929 -15.892 1.00 0.00 C ATOM 477 CD ARG A 36 -3.524 13.708 -16.013 1.00 0.00 C ATOM 478 NE ARG A 36 -3.794 12.429 -16.707 1.00 0.00 N ATOM 479 CZ ARG A 36 -5.018 11.914 -16.885 1.00 0.00 C ATOM 480 NH1 ARG A 36 -6.093 12.567 -16.421 1.00 0.00 N ATOM 481 NH2 ARG A 36 -5.168 10.748 -17.527 1.00 0.00 N ATOM 0 H ARG A 36 -0.505 14.960 -13.330 1.00 0.00 H new ATOM 0 HA ARG A 36 0.329 14.847 -15.925 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -2.211 15.596 -14.537 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -2.091 16.060 -16.222 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -1.534 13.711 -16.846 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -1.600 13.236 -15.160 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -3.979 13.697 -15.022 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -3.978 14.533 -16.563 1.00 0.00 H new ATOM 0 HE ARG A 36 -2.998 11.907 -17.073 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -5.979 13.455 -15.933 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -7.025 12.176 -16.556 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -4.350 10.252 -17.881 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -6.100 10.356 -17.662 1.00 0.00 H new ATOM 495 N GLN A 37 0.131 17.911 -14.808 1.00 0.00 N ATOM 496 CA GLN A 37 0.454 19.299 -15.094 1.00 0.00 C ATOM 497 C GLN A 37 1.884 19.413 -15.625 1.00 0.00 C ATOM 498 O GLN A 37 2.672 18.477 -15.501 1.00 0.00 O ATOM 499 CB GLN A 37 0.258 20.174 -13.854 1.00 0.00 C ATOM 500 CG GLN A 37 -1.130 20.817 -13.851 1.00 0.00 C ATOM 501 CD GLN A 37 -1.114 22.153 -13.105 1.00 0.00 C ATOM 502 OE1 GLN A 37 -0.676 22.255 -11.971 1.00 0.00 O ATOM 503 NE2 GLN A 37 -1.614 23.169 -13.803 1.00 0.00 N ATOM 0 H GLN A 37 -0.117 17.722 -13.837 1.00 0.00 H new ATOM 0 HA GLN A 37 -0.228 19.659 -15.864 1.00 0.00 H new ATOM 0 HB2 GLN A 37 0.385 19.571 -12.955 1.00 0.00 H new ATOM 0 HB3 GLN A 37 1.023 20.950 -13.828 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -1.465 20.973 -14.877 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -1.846 20.143 -13.381 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -1.964 23.015 -14.748 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -1.647 24.102 -13.393 1.00 0.00 H new ATOM 512 N PRO A 38 2.184 20.598 -16.221 1.00 0.00 N ATOM 513 CA PRO A 38 3.505 20.846 -16.771 1.00 0.00 C ATOM 514 C PRO A 38 4.522 21.109 -15.659 1.00 0.00 C ATOM 515 O PRO A 38 5.588 20.496 -15.630 1.00 0.00 O ATOM 516 CB PRO A 38 3.326 22.033 -17.704 1.00 0.00 C ATOM 517 CG PRO A 38 2.022 22.695 -17.291 1.00 0.00 C ATOM 518 CD PRO A 38 1.275 21.729 -16.385 1.00 0.00 C ATOM 0 HA PRO A 38 3.903 19.987 -17.311 1.00 0.00 H new ATOM 0 HB2 PRO A 38 4.161 22.728 -17.617 1.00 0.00 H new ATOM 0 HB3 PRO A 38 3.288 21.710 -18.744 1.00 0.00 H new ATOM 0 HG2 PRO A 38 2.218 23.632 -16.770 1.00 0.00 H new ATOM 0 HG3 PRO A 38 1.422 22.937 -18.168 1.00 0.00 H new ATOM 0 HD2 PRO A 38 1.038 22.189 -15.426 1.00 0.00 H new ATOM 0 HD3 PRO A 38 0.331 21.417 -16.831 1.00 0.00 H new ATOM 526 N GLU A 39 4.157 22.021 -14.770 1.00 0.00 N ATOM 527 CA GLU A 39 5.024 22.372 -13.658 1.00 0.00 C ATOM 528 C GLU A 39 5.225 21.165 -12.740 1.00 0.00 C ATOM 529 O GLU A 39 6.100 21.178 -11.875 1.00 0.00 O ATOM 530 CB GLU A 39 4.463 23.565 -12.881 1.00 0.00 C ATOM 531 CG GLU A 39 5.553 24.233 -12.040 1.00 0.00 C ATOM 532 CD GLU A 39 4.942 25.161 -10.988 1.00 0.00 C ATOM 533 OE1 GLU A 39 4.071 25.968 -11.380 1.00 0.00 O ATOM 534 OE2 GLU A 39 5.359 25.042 -9.816 1.00 0.00 O ATOM 0 H GLU A 39 3.272 22.528 -14.797 1.00 0.00 H new ATOM 0 HA GLU A 39 5.995 22.665 -14.058 1.00 0.00 H new ATOM 0 HB2 GLU A 39 4.040 24.290 -13.576 1.00 0.00 H new ATOM 0 HB3 GLU A 39 3.651 23.233 -12.234 1.00 0.00 H new ATOM 0 HG2 GLU A 39 6.158 23.470 -11.550 1.00 0.00 H new ATOM 0 HG3 GLU A 39 6.220 24.801 -12.688 1.00 0.00 H new ATOM 541 N LEU A 40 4.401 20.151 -12.959 1.00 0.00 N ATOM 542 CA LEU A 40 4.478 18.939 -12.163 1.00 0.00 C ATOM 543 C LEU A 40 4.867 17.765 -13.064 1.00 0.00 C ATOM 544 O LEU A 40 4.457 16.631 -12.824 1.00 0.00 O ATOM 545 CB LEU A 40 3.172 18.718 -11.396 1.00 0.00 C ATOM 546 CG LEU A 40 2.806 19.794 -10.372 1.00 0.00 C ATOM 547 CD1 LEU A 40 2.038 20.941 -11.033 1.00 0.00 C ATOM 548 CD2 LEU A 40 2.035 19.192 -9.195 1.00 0.00 C ATOM 0 H LEU A 40 3.676 20.144 -13.677 1.00 0.00 H new ATOM 0 HA LEU A 40 5.256 19.031 -11.405 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.359 18.639 -12.118 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.234 17.760 -10.880 1.00 0.00 H new ATOM 0 HG LEU A 40 3.729 20.212 -9.972 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.790 21.692 -10.283 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.656 21.393 -11.809 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.121 20.556 -11.478 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.787 19.978 -8.482 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.117 18.730 -9.559 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.651 18.438 -8.704 1.00 0.00 H new ATOM 560 N ARG A 41 5.655 18.079 -14.082 1.00 0.00 N ATOM 561 CA ARG A 41 6.105 17.064 -15.020 1.00 0.00 C ATOM 562 C ARG A 41 6.958 16.017 -14.301 1.00 0.00 C ATOM 563 O ARG A 41 6.826 14.822 -14.558 1.00 0.00 O ATOM 564 CB ARG A 41 6.921 17.687 -16.154 1.00 0.00 C ATOM 565 CG ARG A 41 6.936 16.776 -17.383 1.00 0.00 C ATOM 566 CD ARG A 41 7.944 15.638 -17.211 1.00 0.00 C ATOM 567 NE ARG A 41 8.664 15.402 -18.482 1.00 0.00 N ATOM 568 CZ ARG A 41 9.643 16.189 -18.948 1.00 0.00 C ATOM 569 NH1 ARG A 41 10.025 17.267 -18.251 1.00 0.00 N ATOM 570 NH2 ARG A 41 10.240 15.898 -20.112 1.00 0.00 N ATOM 0 H ARG A 41 5.993 19.021 -14.278 1.00 0.00 H new ATOM 0 HA ARG A 41 5.221 16.587 -15.443 1.00 0.00 H new ATOM 0 HB2 ARG A 41 6.499 18.656 -16.420 1.00 0.00 H new ATOM 0 HB3 ARG A 41 7.942 17.865 -15.817 1.00 0.00 H new ATOM 0 HG2 ARG A 41 5.941 16.363 -17.546 1.00 0.00 H new ATOM 0 HG3 ARG A 41 7.188 17.359 -18.269 1.00 0.00 H new ATOM 0 HD2 ARG A 41 8.654 15.886 -16.422 1.00 0.00 H new ATOM 0 HD3 ARG A 41 7.429 14.729 -16.901 1.00 0.00 H new ATOM 0 HE ARG A 41 8.398 14.589 -19.038 1.00 0.00 H new ATOM 0 HH11 ARG A 41 9.571 17.489 -17.365 1.00 0.00 H new ATOM 0 HH12 ARG A 41 10.770 17.866 -18.606 1.00 0.00 H new ATOM 0 HH21 ARG A 41 9.949 15.077 -20.643 1.00 0.00 H new ATOM 0 HH22 ARG A 41 10.985 16.497 -20.467 1.00 0.00 H new ATOM 584 N PRO A 42 7.837 16.518 -13.392 1.00 0.00 N ATOM 585 CA PRO A 42 8.711 15.639 -12.634 1.00 0.00 C ATOM 586 C PRO A 42 7.937 14.909 -11.535 1.00 0.00 C ATOM 587 O PRO A 42 8.399 13.896 -11.013 1.00 0.00 O ATOM 588 CB PRO A 42 9.803 16.546 -12.089 1.00 0.00 C ATOM 589 CG PRO A 42 9.250 17.959 -12.170 1.00 0.00 C ATOM 590 CD PRO A 42 8.020 17.928 -13.062 1.00 0.00 C ATOM 0 HA PRO A 42 9.139 14.843 -13.244 1.00 0.00 H new ATOM 0 HB2 PRO A 42 10.053 16.283 -11.061 1.00 0.00 H new ATOM 0 HB3 PRO A 42 10.718 16.451 -12.674 1.00 0.00 H new ATOM 0 HG2 PRO A 42 8.992 18.325 -11.176 1.00 0.00 H new ATOM 0 HG3 PRO A 42 9.999 18.639 -12.576 1.00 0.00 H new ATOM 0 HD2 PRO A 42 7.148 18.331 -12.548 1.00 0.00 H new ATOM 0 HD3 PRO A 42 8.166 18.529 -13.959 1.00 0.00 H new ATOM 598 N VAL A 43 6.770 15.452 -11.217 1.00 0.00 N ATOM 599 CA VAL A 43 5.927 14.865 -10.190 1.00 0.00 C ATOM 600 C VAL A 43 5.461 13.481 -10.648 1.00 0.00 C ATOM 601 O VAL A 43 5.200 12.606 -9.824 1.00 0.00 O ATOM 602 CB VAL A 43 4.768 15.808 -9.863 1.00 0.00 C ATOM 603 CG1 VAL A 43 3.883 15.226 -8.758 1.00 0.00 C ATOM 604 CG2 VAL A 43 5.282 17.197 -9.479 1.00 0.00 C ATOM 0 H VAL A 43 6.389 16.292 -11.653 1.00 0.00 H new ATOM 0 HA VAL A 43 6.489 14.729 -9.266 1.00 0.00 H new ATOM 0 HB VAL A 43 4.158 15.913 -10.761 1.00 0.00 H new ATOM 0 HG11 VAL A 43 3.067 15.916 -8.544 1.00 0.00 H new ATOM 0 HG12 VAL A 43 3.474 14.270 -9.085 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.477 15.077 -7.856 1.00 0.00 H new ATOM 0 HG21 VAL A 43 4.437 17.847 -9.251 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.925 17.117 -8.603 1.00 0.00 H new ATOM 0 HG23 VAL A 43 5.850 17.617 -10.309 1.00 0.00 H new ATOM 614 N LEU A 44 5.371 13.327 -11.961 1.00 0.00 N ATOM 615 CA LEU A 44 4.941 12.065 -12.538 1.00 0.00 C ATOM 616 C LEU A 44 5.818 10.935 -11.994 1.00 0.00 C ATOM 617 O LEU A 44 5.324 9.847 -11.702 1.00 0.00 O ATOM 618 CB LEU A 44 4.928 12.151 -14.066 1.00 0.00 C ATOM 619 CG LEU A 44 3.567 12.417 -14.711 1.00 0.00 C ATOM 620 CD1 LEU A 44 3.611 13.671 -15.587 1.00 0.00 C ATOM 621 CD2 LEU A 44 3.079 11.193 -15.487 1.00 0.00 C ATOM 0 H LEU A 44 5.589 14.055 -12.641 1.00 0.00 H new ATOM 0 HA LEU A 44 3.915 11.843 -12.245 1.00 0.00 H new ATOM 0 HB2 LEU A 44 5.613 12.942 -14.371 1.00 0.00 H new ATOM 0 HB3 LEU A 44 5.321 11.216 -14.466 1.00 0.00 H new ATOM 0 HG LEU A 44 2.844 12.604 -13.917 1.00 0.00 H new ATOM 0 HD11 LEU A 44 2.631 13.837 -16.034 1.00 0.00 H new ATOM 0 HD12 LEU A 44 3.882 14.532 -14.976 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.351 13.538 -16.376 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.109 11.409 -15.935 1.00 0.00 H new ATOM 0 HD22 LEU A 44 3.796 10.950 -16.272 1.00 0.00 H new ATOM 0 HD23 LEU A 44 2.984 10.346 -14.808 1.00 0.00 H new ATOM 633 N GLN A 45 7.103 11.232 -11.874 1.00 0.00 N ATOM 634 CA GLN A 45 8.053 10.255 -11.369 1.00 0.00 C ATOM 635 C GLN A 45 7.707 9.873 -9.929 1.00 0.00 C ATOM 636 O GLN A 45 7.899 8.727 -9.523 1.00 0.00 O ATOM 637 CB GLN A 45 9.486 10.781 -11.468 1.00 0.00 C ATOM 638 CG GLN A 45 10.489 9.739 -10.970 1.00 0.00 C ATOM 639 CD GLN A 45 11.927 10.209 -11.197 1.00 0.00 C ATOM 640 OE1 GLN A 45 12.342 10.509 -12.305 1.00 0.00 O ATOM 641 NE2 GLN A 45 12.663 10.255 -10.090 1.00 0.00 N ATOM 0 H GLN A 45 7.509 12.135 -12.118 1.00 0.00 H new ATOM 0 HA GLN A 45 7.987 9.360 -11.987 1.00 0.00 H new ATOM 0 HB2 GLN A 45 9.711 11.042 -12.502 1.00 0.00 H new ATOM 0 HB3 GLN A 45 9.583 11.694 -10.881 1.00 0.00 H new ATOM 0 HG2 GLN A 45 10.327 9.552 -9.908 1.00 0.00 H new ATOM 0 HG3 GLN A 45 10.325 8.794 -11.489 1.00 0.00 H new ATOM 0 HE21 GLN A 45 12.254 9.990 -9.194 1.00 0.00 H new ATOM 0 HE22 GLN A 45 13.637 10.555 -10.137 1.00 0.00 H new ATOM 650 N THR A 46 7.203 10.854 -9.195 1.00 0.00 N ATOM 651 CA THR A 46 6.828 10.635 -7.808 1.00 0.00 C ATOM 652 C THR A 46 5.714 9.591 -7.715 1.00 0.00 C ATOM 653 O THR A 46 5.640 8.841 -6.743 1.00 0.00 O ATOM 654 CB THR A 46 6.447 11.987 -7.202 1.00 0.00 C ATOM 655 OG1 THR A 46 6.964 11.931 -5.876 1.00 0.00 O ATOM 656 CG2 THR A 46 4.936 12.136 -7.007 1.00 0.00 C ATOM 0 H THR A 46 7.045 11.803 -9.535 1.00 0.00 H new ATOM 0 HA THR A 46 7.660 10.228 -7.233 1.00 0.00 H new ATOM 0 HB THR A 46 6.811 12.789 -7.845 1.00 0.00 H new ATOM 0 HG1 THR A 46 6.763 12.770 -5.411 1.00 0.00 H new ATOM 0 HG21 THR A 46 4.720 13.113 -6.574 1.00 0.00 H new ATOM 0 HG22 THR A 46 4.434 12.047 -7.971 1.00 0.00 H new ATOM 0 HG23 THR A 46 4.577 11.355 -6.337 1.00 0.00 H new ATOM 664 N THR A 47 4.874 9.576 -8.740 1.00 0.00 N ATOM 665 CA THR A 47 3.766 8.637 -8.786 1.00 0.00 C ATOM 666 C THR A 47 4.272 7.232 -9.123 1.00 0.00 C ATOM 667 O THR A 47 3.692 6.239 -8.686 1.00 0.00 O ATOM 668 CB THR A 47 2.737 9.168 -9.786 1.00 0.00 C ATOM 669 OG1 THR A 47 3.266 8.801 -11.057 1.00 0.00 O ATOM 670 CG2 THR A 47 2.695 10.697 -9.827 1.00 0.00 C ATOM 0 H THR A 47 4.939 10.199 -9.545 1.00 0.00 H new ATOM 0 HA THR A 47 3.281 8.550 -7.814 1.00 0.00 H new ATOM 0 HB THR A 47 1.750 8.785 -9.528 1.00 0.00 H new ATOM 0 HG1 THR A 47 3.909 9.479 -11.352 1.00 0.00 H new ATOM 0 HG21 THR A 47 1.949 11.021 -10.552 1.00 0.00 H new ATOM 0 HG22 THR A 47 2.433 11.080 -8.841 1.00 0.00 H new ATOM 0 HG23 THR A 47 3.673 11.080 -10.117 1.00 0.00 H new ATOM 678 N MET A 48 5.347 7.195 -9.895 1.00 0.00 N ATOM 679 CA MET A 48 5.938 5.929 -10.296 1.00 0.00 C ATOM 680 C MET A 48 6.571 5.217 -9.099 1.00 0.00 C ATOM 681 O MET A 48 6.422 4.006 -8.942 1.00 0.00 O ATOM 682 CB MET A 48 7.003 6.178 -11.365 1.00 0.00 C ATOM 683 CG MET A 48 6.505 5.747 -12.746 1.00 0.00 C ATOM 684 SD MET A 48 7.683 6.228 -13.998 1.00 0.00 S ATOM 685 CE MET A 48 6.648 6.137 -15.449 1.00 0.00 C ATOM 0 H MET A 48 5.825 8.021 -10.254 1.00 0.00 H new ATOM 0 HA MET A 48 5.150 5.292 -10.698 1.00 0.00 H new ATOM 0 HB2 MET A 48 7.265 7.236 -11.383 1.00 0.00 H new ATOM 0 HB3 MET A 48 7.911 5.629 -11.114 1.00 0.00 H new ATOM 0 HG2 MET A 48 6.359 4.667 -12.768 1.00 0.00 H new ATOM 0 HG3 MET A 48 5.537 6.204 -12.951 1.00 0.00 H new ATOM 0 HE1 MET A 48 7.231 6.409 -16.329 1.00 0.00 H new ATOM 0 HE2 MET A 48 6.270 5.121 -15.563 1.00 0.00 H new ATOM 0 HE3 MET A 48 5.810 6.826 -15.342 1.00 0.00 H new ATOM 695 N PHE A 49 7.266 5.999 -8.285 1.00 0.00 N ATOM 696 CA PHE A 49 7.923 5.458 -7.108 1.00 0.00 C ATOM 697 C PHE A 49 6.900 5.081 -6.034 1.00 0.00 C ATOM 698 O PHE A 49 7.110 4.133 -5.278 1.00 0.00 O ATOM 699 CB PHE A 49 8.836 6.558 -6.561 1.00 0.00 C ATOM 700 CG PHE A 49 10.158 6.041 -5.989 1.00 0.00 C ATOM 701 CD1 PHE A 49 11.157 5.656 -6.827 1.00 0.00 C ATOM 702 CD2 PHE A 49 10.334 5.967 -4.642 1.00 0.00 C ATOM 703 CE1 PHE A 49 12.384 5.177 -6.297 1.00 0.00 C ATOM 704 CE2 PHE A 49 11.560 5.488 -4.112 1.00 0.00 C ATOM 705 CZ PHE A 49 12.560 5.103 -4.950 1.00 0.00 C ATOM 0 H PHE A 49 7.388 7.003 -8.418 1.00 0.00 H new ATOM 0 HA PHE A 49 8.481 4.560 -7.373 1.00 0.00 H new ATOM 0 HB2 PHE A 49 9.050 7.269 -7.359 1.00 0.00 H new ATOM 0 HB3 PHE A 49 8.304 7.104 -5.782 1.00 0.00 H new ATOM 0 HD1 PHE A 49 11.017 5.715 -7.896 1.00 0.00 H new ATOM 0 HD2 PHE A 49 9.541 6.273 -3.976 1.00 0.00 H new ATOM 0 HE1 PHE A 49 13.177 4.871 -6.963 1.00 0.00 H new ATOM 0 HE2 PHE A 49 11.699 5.429 -3.043 1.00 0.00 H new ATOM 0 HZ PHE A 49 13.493 4.739 -4.546 1.00 0.00 H new ATOM 715 N ILE A 50 5.816 5.841 -6.002 1.00 0.00 N ATOM 716 CA ILE A 50 4.760 5.598 -5.033 1.00 0.00 C ATOM 717 C ILE A 50 3.940 4.383 -5.473 1.00 0.00 C ATOM 718 O ILE A 50 3.446 3.627 -4.638 1.00 0.00 O ATOM 719 CB ILE A 50 3.923 6.861 -4.824 1.00 0.00 C ATOM 720 CG1 ILE A 50 3.940 7.294 -3.357 1.00 0.00 C ATOM 721 CG2 ILE A 50 2.499 6.669 -5.349 1.00 0.00 C ATOM 722 CD1 ILE A 50 5.219 8.065 -3.027 1.00 0.00 C ATOM 0 H ILE A 50 5.645 6.626 -6.631 1.00 0.00 H new ATOM 0 HA ILE A 50 5.185 5.361 -4.058 1.00 0.00 H new ATOM 0 HB ILE A 50 4.373 7.668 -5.403 1.00 0.00 H new ATOM 0 HG12 ILE A 50 3.071 7.918 -3.148 1.00 0.00 H new ATOM 0 HG13 ILE A 50 3.864 6.417 -2.714 1.00 0.00 H new ATOM 0 HG21 ILE A 50 1.926 7.582 -5.188 1.00 0.00 H new ATOM 0 HG22 ILE A 50 2.531 6.444 -6.415 1.00 0.00 H new ATOM 0 HG23 ILE A 50 2.024 5.844 -4.819 1.00 0.00 H new ATOM 0 HD11 ILE A 50 5.205 8.361 -1.978 1.00 0.00 H new ATOM 0 HD12 ILE A 50 6.085 7.430 -3.213 1.00 0.00 H new ATOM 0 HD13 ILE A 50 5.280 8.954 -3.654 1.00 0.00 H new ATOM 734 N GLY A 51 3.820 4.234 -6.785 1.00 0.00 N ATOM 735 CA GLY A 51 3.069 3.124 -7.346 1.00 0.00 C ATOM 736 C GLY A 51 3.745 1.788 -7.029 1.00 0.00 C ATOM 737 O GLY A 51 3.071 0.776 -6.841 1.00 0.00 O ATOM 0 H GLY A 51 4.230 4.864 -7.475 1.00 0.00 H new ATOM 0 HA2 GLY A 51 2.055 3.127 -6.945 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.985 3.246 -8.426 1.00 0.00 H new ATOM 741 N VAL A 52 5.068 1.828 -6.979 1.00 0.00 N ATOM 742 CA VAL A 52 5.843 0.634 -6.689 1.00 0.00 C ATOM 743 C VAL A 52 5.699 0.287 -5.205 1.00 0.00 C ATOM 744 O VAL A 52 5.364 -0.845 -4.859 1.00 0.00 O ATOM 745 CB VAL A 52 7.297 0.836 -7.118 1.00 0.00 C ATOM 746 CG1 VAL A 52 8.055 -0.493 -7.132 1.00 0.00 C ATOM 747 CG2 VAL A 52 7.376 1.527 -8.480 1.00 0.00 C ATOM 0 H VAL A 52 5.623 2.669 -7.135 1.00 0.00 H new ATOM 0 HA VAL A 52 5.466 -0.215 -7.260 1.00 0.00 H new ATOM 0 HB VAL A 52 7.775 1.486 -6.385 1.00 0.00 H new ATOM 0 HG11 VAL A 52 9.086 -0.321 -7.441 1.00 0.00 H new ATOM 0 HG12 VAL A 52 8.043 -0.929 -6.133 1.00 0.00 H new ATOM 0 HG13 VAL A 52 7.576 -1.177 -7.832 1.00 0.00 H new ATOM 0 HG21 VAL A 52 8.421 1.658 -8.761 1.00 0.00 H new ATOM 0 HG22 VAL A 52 6.873 0.915 -9.228 1.00 0.00 H new ATOM 0 HG23 VAL A 52 6.890 2.501 -8.422 1.00 0.00 H new ATOM 757 N ALA A 53 5.960 1.282 -4.370 1.00 0.00 N ATOM 758 CA ALA A 53 5.865 1.096 -2.932 1.00 0.00 C ATOM 759 C ALA A 53 4.457 0.615 -2.577 1.00 0.00 C ATOM 760 O ALA A 53 4.296 -0.351 -1.833 1.00 0.00 O ATOM 761 CB ALA A 53 6.232 2.401 -2.223 1.00 0.00 C ATOM 0 H ALA A 53 6.237 2.219 -4.662 1.00 0.00 H new ATOM 0 HA ALA A 53 6.568 0.334 -2.596 1.00 0.00 H new ATOM 0 HB1 ALA A 53 6.161 2.262 -1.144 1.00 0.00 H new ATOM 0 HB2 ALA A 53 7.251 2.684 -2.486 1.00 0.00 H new ATOM 0 HB3 ALA A 53 5.546 3.189 -2.533 1.00 0.00 H new ATOM 767 N LEU A 54 3.472 1.312 -3.125 1.00 0.00 N ATOM 768 CA LEU A 54 2.083 0.968 -2.876 1.00 0.00 C ATOM 769 C LEU A 54 1.825 -0.467 -3.339 1.00 0.00 C ATOM 770 O LEU A 54 0.975 -1.160 -2.782 1.00 0.00 O ATOM 771 CB LEU A 54 1.152 1.998 -3.519 1.00 0.00 C ATOM 772 CG LEU A 54 0.615 1.642 -4.907 1.00 0.00 C ATOM 773 CD1 LEU A 54 -0.416 0.515 -4.824 1.00 0.00 C ATOM 774 CD2 LEU A 54 0.057 2.880 -5.613 1.00 0.00 C ATOM 0 H LEU A 54 3.609 2.114 -3.741 1.00 0.00 H new ATOM 0 HA LEU A 54 1.869 1.002 -1.808 1.00 0.00 H new ATOM 0 HB2 LEU A 54 0.304 2.158 -2.853 1.00 0.00 H new ATOM 0 HB3 LEU A 54 1.685 2.946 -3.590 1.00 0.00 H new ATOM 0 HG LEU A 54 1.445 1.274 -5.510 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -0.781 0.282 -5.824 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.048 -0.371 -4.391 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.250 0.830 -4.197 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.318 2.599 -6.597 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.756 3.301 -5.021 1.00 0.00 H new ATOM 0 HD23 LEU A 54 0.847 3.623 -5.724 1.00 0.00 H new ATOM 786 N VAL A 55 2.576 -0.871 -4.353 1.00 0.00 N ATOM 787 CA VAL A 55 2.440 -2.212 -4.897 1.00 0.00 C ATOM 788 C VAL A 55 3.193 -3.199 -4.003 1.00 0.00 C ATOM 789 O VAL A 55 2.771 -4.344 -3.845 1.00 0.00 O ATOM 790 CB VAL A 55 2.918 -2.237 -6.351 1.00 0.00 C ATOM 791 CG1 VAL A 55 3.392 -3.637 -6.747 1.00 0.00 C ATOM 792 CG2 VAL A 55 1.822 -1.741 -7.296 1.00 0.00 C ATOM 0 H VAL A 55 3.280 -0.294 -4.812 1.00 0.00 H new ATOM 0 HA VAL A 55 1.393 -2.516 -4.907 1.00 0.00 H new ATOM 0 HB VAL A 55 3.767 -1.559 -6.438 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.726 -3.628 -7.784 1.00 0.00 H new ATOM 0 HG12 VAL A 55 4.218 -3.937 -6.102 1.00 0.00 H new ATOM 0 HG13 VAL A 55 2.570 -4.344 -6.637 1.00 0.00 H new ATOM 0 HG21 VAL A 55 2.187 -1.769 -8.323 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.945 -2.382 -7.205 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.552 -0.718 -7.034 1.00 0.00 H new ATOM 802 N GLU A 56 4.293 -2.720 -3.442 1.00 0.00 N ATOM 803 CA GLU A 56 5.108 -3.547 -2.568 1.00 0.00 C ATOM 804 C GLU A 56 4.449 -3.676 -1.193 1.00 0.00 C ATOM 805 O GLU A 56 4.976 -4.349 -0.309 1.00 0.00 O ATOM 806 CB GLU A 56 6.525 -2.983 -2.445 1.00 0.00 C ATOM 807 CG GLU A 56 7.444 -3.572 -3.517 1.00 0.00 C ATOM 808 CD GLU A 56 8.825 -2.914 -3.478 1.00 0.00 C ATOM 809 OE1 GLU A 56 8.882 -1.699 -3.766 1.00 0.00 O ATOM 810 OE2 GLU A 56 9.791 -3.641 -3.162 1.00 0.00 O ATOM 0 H GLU A 56 4.639 -1.770 -3.575 1.00 0.00 H new ATOM 0 HA GLU A 56 5.184 -4.541 -3.008 1.00 0.00 H new ATOM 0 HB2 GLU A 56 6.498 -1.898 -2.540 1.00 0.00 H new ATOM 0 HB3 GLU A 56 6.925 -3.206 -1.456 1.00 0.00 H new ATOM 0 HG2 GLU A 56 7.545 -4.646 -3.364 1.00 0.00 H new ATOM 0 HG3 GLU A 56 6.998 -3.431 -4.501 1.00 0.00 H new ATOM 817 N ALA A 57 3.305 -3.021 -1.057 1.00 0.00 N ATOM 818 CA ALA A 57 2.568 -3.054 0.195 1.00 0.00 C ATOM 819 C ALA A 57 1.651 -4.279 0.210 1.00 0.00 C ATOM 820 O ALA A 57 1.078 -4.618 1.244 1.00 0.00 O ATOM 821 CB ALA A 57 1.795 -1.746 0.368 1.00 0.00 C ATOM 0 H ALA A 57 2.871 -2.464 -1.793 1.00 0.00 H new ATOM 0 HA ALA A 57 3.251 -3.143 1.040 1.00 0.00 H new ATOM 0 HB1 ALA A 57 1.242 -1.771 1.307 1.00 0.00 H new ATOM 0 HB2 ALA A 57 2.494 -0.909 0.381 1.00 0.00 H new ATOM 0 HB3 ALA A 57 1.097 -1.624 -0.460 1.00 0.00 H new ATOM 827 N LEU A 58 1.542 -4.911 -0.950 1.00 0.00 N ATOM 828 CA LEU A 58 0.705 -6.090 -1.084 1.00 0.00 C ATOM 829 C LEU A 58 1.422 -7.292 -0.465 1.00 0.00 C ATOM 830 O LEU A 58 0.867 -7.976 0.394 1.00 0.00 O ATOM 831 CB LEU A 58 0.303 -6.299 -2.545 1.00 0.00 C ATOM 832 CG LEU A 58 -1.175 -6.606 -2.797 1.00 0.00 C ATOM 833 CD1 LEU A 58 -2.074 -5.602 -2.073 1.00 0.00 C ATOM 834 CD2 LEU A 58 -1.475 -6.667 -4.296 1.00 0.00 C ATOM 0 H LEU A 58 2.020 -4.628 -1.805 1.00 0.00 H new ATOM 0 HA LEU A 58 -0.229 -5.959 -0.537 1.00 0.00 H new ATOM 0 HB2 LEU A 58 0.568 -5.403 -3.106 1.00 0.00 H new ATOM 0 HB3 LEU A 58 0.898 -7.117 -2.951 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.394 -7.591 -2.385 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.119 -5.842 -2.268 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.885 -5.651 -1.001 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -1.860 -4.596 -2.433 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.532 -6.887 -4.447 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.235 -5.708 -4.755 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.872 -7.450 -4.756 1.00 0.00 H new ATOM 846 N PRO A 59 2.677 -7.519 -0.939 1.00 0.00 N ATOM 847 CA PRO A 59 3.475 -8.626 -0.441 1.00 0.00 C ATOM 848 C PRO A 59 4.020 -8.325 0.956 1.00 0.00 C ATOM 849 O PRO A 59 4.206 -9.235 1.763 1.00 0.00 O ATOM 850 CB PRO A 59 4.571 -8.816 -1.477 1.00 0.00 C ATOM 851 CG PRO A 59 4.624 -7.521 -2.272 1.00 0.00 C ATOM 852 CD PRO A 59 3.365 -6.730 -1.956 1.00 0.00 C ATOM 0 HA PRO A 59 2.896 -9.541 -0.319 1.00 0.00 H new ATOM 0 HB2 PRO A 59 5.529 -9.020 -0.999 1.00 0.00 H new ATOM 0 HB3 PRO A 59 4.352 -9.664 -2.126 1.00 0.00 H new ATOM 0 HG2 PRO A 59 5.512 -6.947 -2.008 1.00 0.00 H new ATOM 0 HG3 PRO A 59 4.686 -7.731 -3.340 1.00 0.00 H new ATOM 0 HD2 PRO A 59 3.606 -5.733 -1.588 1.00 0.00 H new ATOM 0 HD3 PRO A 59 2.745 -6.601 -2.843 1.00 0.00 H new ATOM 860 N ILE A 60 4.259 -7.045 1.201 1.00 0.00 N ATOM 861 CA ILE A 60 4.778 -6.613 2.487 1.00 0.00 C ATOM 862 C ILE A 60 3.754 -6.931 3.578 1.00 0.00 C ATOM 863 O ILE A 60 4.065 -7.629 4.542 1.00 0.00 O ATOM 864 CB ILE A 60 5.183 -5.139 2.434 1.00 0.00 C ATOM 865 CG1 ILE A 60 6.565 -4.971 1.799 1.00 0.00 C ATOM 866 CG2 ILE A 60 5.108 -4.499 3.822 1.00 0.00 C ATOM 867 CD1 ILE A 60 6.823 -3.510 1.425 1.00 0.00 C ATOM 0 H ILE A 60 4.103 -6.293 0.530 1.00 0.00 H new ATOM 0 HA ILE A 60 5.688 -7.160 2.734 1.00 0.00 H new ATOM 0 HB ILE A 60 4.471 -4.613 1.798 1.00 0.00 H new ATOM 0 HG12 ILE A 60 7.332 -5.313 2.494 1.00 0.00 H new ATOM 0 HG13 ILE A 60 6.639 -5.596 0.909 1.00 0.00 H new ATOM 0 HG21 ILE A 60 5.401 -3.451 3.756 1.00 0.00 H new ATOM 0 HG22 ILE A 60 4.088 -4.567 4.200 1.00 0.00 H new ATOM 0 HG23 ILE A 60 5.782 -5.022 4.501 1.00 0.00 H new ATOM 0 HD11 ILE A 60 7.812 -3.419 0.976 1.00 0.00 H new ATOM 0 HD12 ILE A 60 6.068 -3.178 0.712 1.00 0.00 H new ATOM 0 HD13 ILE A 60 6.773 -2.891 2.321 1.00 0.00 H new ATOM 879 N ILE A 61 2.553 -6.404 3.390 1.00 0.00 N ATOM 880 CA ILE A 61 1.481 -6.623 4.346 1.00 0.00 C ATOM 881 C ILE A 61 1.176 -8.119 4.430 1.00 0.00 C ATOM 882 O ILE A 61 0.972 -8.655 5.518 1.00 0.00 O ATOM 883 CB ILE A 61 0.264 -5.766 3.992 1.00 0.00 C ATOM 884 CG1 ILE A 61 0.592 -4.275 4.104 1.00 0.00 C ATOM 885 CG2 ILE A 61 -0.945 -6.152 4.845 1.00 0.00 C ATOM 886 CD1 ILE A 61 1.166 -3.942 5.483 1.00 0.00 C ATOM 0 H ILE A 61 2.299 -5.826 2.589 1.00 0.00 H new ATOM 0 HA ILE A 61 1.788 -6.304 5.342 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.000 -5.961 2.953 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.309 -3.998 3.331 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -0.309 -3.687 3.929 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -1.796 -5.528 4.573 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -1.193 -7.199 4.672 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -0.709 -6.005 5.899 1.00 0.00 H new ATOM 0 HD11 ILE A 61 1.390 -2.877 5.536 1.00 0.00 H new ATOM 0 HD12 ILE A 61 0.437 -4.198 6.252 1.00 0.00 H new ATOM 0 HD13 ILE A 61 2.080 -4.514 5.644 1.00 0.00 H new ATOM 898 N GLY A 62 1.154 -8.753 3.266 1.00 0.00 N ATOM 899 CA GLY A 62 0.877 -10.177 3.194 1.00 0.00 C ATOM 900 C GLY A 62 1.777 -10.960 4.153 1.00 0.00 C ATOM 901 O GLY A 62 1.355 -11.964 4.725 1.00 0.00 O ATOM 0 H GLY A 62 1.324 -8.306 2.365 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -0.169 -10.361 3.440 1.00 0.00 H new ATOM 0 HA3 GLY A 62 1.032 -10.530 2.174 1.00 0.00 H new ATOM 905 N VAL A 63 3.000 -10.470 4.299 1.00 0.00 N ATOM 906 CA VAL A 63 3.962 -11.111 5.178 1.00 0.00 C ATOM 907 C VAL A 63 3.591 -10.819 6.633 1.00 0.00 C ATOM 908 O VAL A 63 3.788 -11.660 7.509 1.00 0.00 O ATOM 909 CB VAL A 63 5.380 -10.660 4.820 1.00 0.00 C ATOM 910 CG1 VAL A 63 6.362 -10.997 5.943 1.00 0.00 C ATOM 911 CG2 VAL A 63 5.832 -11.273 3.493 1.00 0.00 C ATOM 0 H VAL A 63 3.346 -9.637 3.823 1.00 0.00 H new ATOM 0 HA VAL A 63 3.937 -12.193 5.047 1.00 0.00 H new ATOM 0 HB VAL A 63 5.367 -9.577 4.701 1.00 0.00 H new ATOM 0 HG11 VAL A 63 7.362 -10.666 5.663 1.00 0.00 H new ATOM 0 HG12 VAL A 63 6.055 -10.491 6.859 1.00 0.00 H new ATOM 0 HG13 VAL A 63 6.369 -12.074 6.109 1.00 0.00 H new ATOM 0 HG21 VAL A 63 6.843 -10.936 3.262 1.00 0.00 H new ATOM 0 HG22 VAL A 63 5.821 -12.360 3.572 1.00 0.00 H new ATOM 0 HG23 VAL A 63 5.155 -10.960 2.698 1.00 0.00 H new ATOM 921 N VAL A 64 3.060 -9.623 6.846 1.00 0.00 N ATOM 922 CA VAL A 64 2.660 -9.209 8.180 1.00 0.00 C ATOM 923 C VAL A 64 1.529 -10.114 8.672 1.00 0.00 C ATOM 924 O VAL A 64 1.643 -10.740 9.725 1.00 0.00 O ATOM 925 CB VAL A 64 2.281 -7.727 8.176 1.00 0.00 C ATOM 926 CG1 VAL A 64 1.520 -7.352 9.450 1.00 0.00 C ATOM 927 CG2 VAL A 64 3.518 -6.845 7.996 1.00 0.00 C ATOM 0 H VAL A 64 2.898 -8.928 6.117 1.00 0.00 H new ATOM 0 HA VAL A 64 3.490 -9.317 8.879 1.00 0.00 H new ATOM 0 HB VAL A 64 1.619 -7.553 7.327 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.263 -6.293 9.422 1.00 0.00 H new ATOM 0 HG12 VAL A 64 0.608 -7.946 9.517 1.00 0.00 H new ATOM 0 HG13 VAL A 64 2.147 -7.550 10.320 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.220 -5.796 7.997 1.00 0.00 H new ATOM 0 HG22 VAL A 64 4.215 -7.025 8.814 1.00 0.00 H new ATOM 0 HG23 VAL A 64 4.001 -7.084 7.049 1.00 0.00 H new ATOM 937 N PHE A 65 0.462 -10.155 7.887 1.00 0.00 N ATOM 938 CA PHE A 65 -0.689 -10.973 8.230 1.00 0.00 C ATOM 939 C PHE A 65 -0.260 -12.396 8.596 1.00 0.00 C ATOM 940 O PHE A 65 -0.709 -12.944 9.602 1.00 0.00 O ATOM 941 CB PHE A 65 -1.585 -11.026 6.991 1.00 0.00 C ATOM 942 CG PHE A 65 -2.082 -12.430 6.642 1.00 0.00 C ATOM 943 CD1 PHE A 65 -2.894 -13.098 7.503 1.00 0.00 C ATOM 944 CD2 PHE A 65 -1.710 -13.010 5.469 1.00 0.00 C ATOM 945 CE1 PHE A 65 -3.355 -14.401 7.179 1.00 0.00 C ATOM 946 CE2 PHE A 65 -2.171 -14.313 5.144 1.00 0.00 C ATOM 947 CZ PHE A 65 -2.984 -14.981 6.006 1.00 0.00 C ATOM 0 H PHE A 65 0.371 -9.635 7.014 1.00 0.00 H new ATOM 0 HA PHE A 65 -1.207 -10.546 9.089 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -2.446 -10.376 7.150 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -1.035 -10.624 6.140 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -3.189 -12.637 8.434 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -1.064 -12.479 4.785 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -4.000 -14.932 7.864 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -1.876 -14.774 4.213 1.00 0.00 H new ATOM 0 HZ PHE A 65 -3.335 -15.972 5.759 1.00 0.00 H new ATOM 957 N SER A 66 0.602 -12.954 7.759 1.00 0.00 N ATOM 958 CA SER A 66 1.096 -14.302 7.981 1.00 0.00 C ATOM 959 C SER A 66 1.875 -14.364 9.296 1.00 0.00 C ATOM 960 O SER A 66 1.696 -15.290 10.086 1.00 0.00 O ATOM 961 CB SER A 66 1.977 -14.765 6.820 1.00 0.00 C ATOM 962 OG SER A 66 3.351 -14.451 7.034 1.00 0.00 O ATOM 0 H SER A 66 0.971 -12.497 6.925 1.00 0.00 H new ATOM 0 HA SER A 66 0.240 -14.974 8.041 1.00 0.00 H new ATOM 0 HB2 SER A 66 1.867 -15.841 6.689 1.00 0.00 H new ATOM 0 HB3 SER A 66 1.637 -14.295 5.897 1.00 0.00 H new ATOM 0 HG SER A 66 3.459 -13.479 7.094 1.00 0.00 H new ATOM 968 N PHE A 67 2.724 -13.365 9.492 1.00 0.00 N ATOM 969 CA PHE A 67 3.531 -13.294 10.697 1.00 0.00 C ATOM 970 C PHE A 67 2.650 -13.291 11.948 1.00 0.00 C ATOM 971 O PHE A 67 3.022 -13.856 12.975 1.00 0.00 O ATOM 972 CB PHE A 67 4.313 -11.980 10.636 1.00 0.00 C ATOM 973 CG PHE A 67 5.803 -12.155 10.336 1.00 0.00 C ATOM 974 CD1 PHE A 67 6.601 -12.811 11.220 1.00 0.00 C ATOM 975 CD2 PHE A 67 6.328 -11.656 9.186 1.00 0.00 C ATOM 976 CE1 PHE A 67 7.984 -12.973 10.942 1.00 0.00 C ATOM 977 CE2 PHE A 67 7.711 -11.818 8.907 1.00 0.00 C ATOM 978 CZ PHE A 67 8.510 -12.474 9.792 1.00 0.00 C ATOM 0 H PHE A 67 2.870 -12.598 8.835 1.00 0.00 H new ATOM 0 HA PHE A 67 4.192 -14.159 10.753 1.00 0.00 H new ATOM 0 HB2 PHE A 67 3.871 -11.342 9.871 1.00 0.00 H new ATOM 0 HB3 PHE A 67 4.203 -11.459 11.587 1.00 0.00 H new ATOM 0 HD1 PHE A 67 6.183 -13.209 12.133 1.00 0.00 H new ATOM 0 HD2 PHE A 67 5.693 -11.136 8.484 1.00 0.00 H new ATOM 0 HE1 PHE A 67 8.618 -13.493 11.645 1.00 0.00 H new ATOM 0 HE2 PHE A 67 8.128 -11.421 7.993 1.00 0.00 H new ATOM 0 HZ PHE A 67 9.562 -12.598 9.581 1.00 0.00 H new ATOM 988 N ILE A 68 1.498 -12.649 11.820 1.00 0.00 N ATOM 989 CA ILE A 68 0.561 -12.565 12.927 1.00 0.00 C ATOM 990 C ILE A 68 0.192 -13.978 13.385 1.00 0.00 C ATOM 991 O ILE A 68 0.362 -14.319 14.555 1.00 0.00 O ATOM 992 CB ILE A 68 -0.647 -11.708 12.543 1.00 0.00 C ATOM 993 CG1 ILE A 68 -0.426 -10.244 12.931 1.00 0.00 C ATOM 994 CG2 ILE A 68 -1.934 -12.273 13.147 1.00 0.00 C ATOM 995 CD1 ILE A 68 0.842 -9.689 12.279 1.00 0.00 C ATOM 0 H ILE A 68 1.192 -12.182 10.966 1.00 0.00 H new ATOM 0 HA ILE A 68 1.021 -12.063 13.778 1.00 0.00 H new ATOM 0 HB ILE A 68 -0.759 -11.741 11.459 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -1.287 -9.649 12.625 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -0.349 -10.159 14.015 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -2.777 -11.645 12.859 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -2.094 -13.287 12.780 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -1.849 -12.290 14.234 1.00 0.00 H new ATOM 0 HD11 ILE A 68 0.975 -8.647 12.571 1.00 0.00 H new ATOM 0 HD12 ILE A 68 1.704 -10.271 12.606 1.00 0.00 H new ATOM 0 HD13 ILE A 68 0.751 -9.753 11.195 1.00 0.00 H new ATOM 1007 N TYR A 69 -0.307 -14.760 12.440 1.00 0.00 N ATOM 1008 CA TYR A 69 -0.701 -16.128 12.732 1.00 0.00 C ATOM 1009 C TYR A 69 0.390 -16.858 13.517 1.00 0.00 C ATOM 1010 O TYR A 69 0.109 -17.495 14.531 1.00 0.00 O ATOM 1011 CB TYR A 69 -0.881 -16.813 11.376 1.00 0.00 C ATOM 1012 CG TYR A 69 -1.613 -18.155 11.449 1.00 0.00 C ATOM 1013 CD1 TYR A 69 -2.778 -18.267 12.180 1.00 0.00 C ATOM 1014 CD2 TYR A 69 -1.107 -19.254 10.784 1.00 0.00 C ATOM 1015 CE1 TYR A 69 -3.466 -19.530 12.249 1.00 0.00 C ATOM 1016 CE2 TYR A 69 -1.795 -20.517 10.853 1.00 0.00 C ATOM 1017 CZ TYR A 69 -2.941 -20.593 11.582 1.00 0.00 C ATOM 1018 OH TYR A 69 -3.591 -21.785 11.647 1.00 0.00 O ATOM 0 H TYR A 69 -0.448 -14.473 11.471 1.00 0.00 H new ATOM 0 HA TYR A 69 -1.610 -16.145 13.334 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -1.432 -16.146 10.714 1.00 0.00 H new ATOM 0 HB3 TYR A 69 0.100 -16.970 10.927 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -3.174 -17.407 12.700 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -0.195 -19.166 10.212 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -4.379 -19.631 12.818 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -1.410 -21.384 10.338 1.00 0.00 H new ATOM 0 HH TYR A 69 -3.102 -22.453 11.122 1.00 0.00 H new ATOM 1028 N LEU A 70 1.612 -16.740 13.019 1.00 0.00 N ATOM 1029 CA LEU A 70 2.747 -17.380 13.662 1.00 0.00 C ATOM 1030 C LEU A 70 2.734 -17.051 15.156 1.00 0.00 C ATOM 1031 O LEU A 70 3.301 -17.787 15.963 1.00 0.00 O ATOM 1032 CB LEU A 70 4.050 -16.994 12.959 1.00 0.00 C ATOM 1033 CG LEU A 70 4.374 -17.765 11.678 1.00 0.00 C ATOM 1034 CD1 LEU A 70 4.216 -19.272 11.889 1.00 0.00 C ATOM 1035 CD2 LEU A 70 3.532 -17.259 10.505 1.00 0.00 C ATOM 0 H LEU A 70 1.841 -16.211 12.178 1.00 0.00 H new ATOM 0 HA LEU A 70 2.673 -18.464 13.573 1.00 0.00 H new ATOM 0 HB2 LEU A 70 4.010 -15.931 12.720 1.00 0.00 H new ATOM 0 HB3 LEU A 70 4.873 -17.132 13.660 1.00 0.00 H new ATOM 0 HG LEU A 70 5.419 -17.583 11.426 1.00 0.00 H new ATOM 0 HD11 LEU A 70 4.452 -19.796 10.963 1.00 0.00 H new ATOM 0 HD12 LEU A 70 4.894 -19.602 12.676 1.00 0.00 H new ATOM 0 HD13 LEU A 70 3.189 -19.493 12.179 1.00 0.00 H new ATOM 0 HD21 LEU A 70 3.782 -17.824 9.607 1.00 0.00 H new ATOM 0 HD22 LEU A 70 2.474 -17.390 10.733 1.00 0.00 H new ATOM 0 HD23 LEU A 70 3.739 -16.202 10.338 1.00 0.00 H new ATOM 1047 N GLY A 71 2.081 -15.945 15.480 1.00 0.00 N ATOM 1048 CA GLY A 71 1.986 -15.510 16.863 1.00 0.00 C ATOM 1049 C GLY A 71 2.714 -14.180 17.070 1.00 0.00 C ATOM 1050 O GLY A 71 3.131 -13.863 18.183 1.00 0.00 O ATOM 0 H GLY A 71 1.612 -15.337 14.808 1.00 0.00 H new ATOM 0 HA2 GLY A 71 0.938 -15.403 17.143 1.00 0.00 H new ATOM 0 HA3 GLY A 71 2.415 -16.269 17.517 1.00 0.00 H new ATOM 1054 N ARG A 72 2.844 -13.437 15.981 1.00 0.00 N ATOM 1055 CA ARG A 72 3.514 -12.149 16.028 1.00 0.00 C ATOM 1056 C ARG A 72 4.991 -12.332 16.384 1.00 0.00 C ATOM 1057 O ARG A 72 5.330 -12.559 17.545 1.00 0.00 O ATOM 1058 CB ARG A 72 2.859 -11.225 17.057 1.00 0.00 C ATOM 1059 CG ARG A 72 1.824 -10.314 16.395 1.00 0.00 C ATOM 1060 CD ARG A 72 2.497 -9.311 15.457 1.00 0.00 C ATOM 1061 NE ARG A 72 2.405 -7.947 16.024 1.00 0.00 N ATOM 1062 CZ ARG A 72 1.251 -7.309 16.263 1.00 0.00 C ATOM 1063 NH1 ARG A 72 0.085 -7.907 15.986 1.00 0.00 N ATOM 1064 NH2 ARG A 72 1.264 -6.072 16.779 1.00 0.00 N ATOM 0 H ARG A 72 2.496 -13.703 15.060 1.00 0.00 H new ATOM 0 HA ARG A 72 3.428 -11.694 15.041 1.00 0.00 H new ATOM 0 HB2 ARG A 72 2.380 -11.821 17.834 1.00 0.00 H new ATOM 0 HB3 ARG A 72 3.622 -10.619 17.545 1.00 0.00 H new ATOM 0 HG2 ARG A 72 1.108 -10.917 15.836 1.00 0.00 H new ATOM 0 HG3 ARG A 72 1.261 -9.780 17.161 1.00 0.00 H new ATOM 0 HD2 ARG A 72 3.542 -9.583 15.310 1.00 0.00 H new ATOM 0 HD3 ARG A 72 2.019 -9.340 14.478 1.00 0.00 H new ATOM 0 HE ARG A 72 3.274 -7.462 16.247 1.00 0.00 H new ATOM 0 HH11 ARG A 72 0.075 -8.848 15.593 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -0.793 -7.421 16.168 1.00 0.00 H new ATOM 0 HH21 ARG A 72 2.152 -5.617 16.990 1.00 0.00 H new ATOM 0 HH22 ARG A 72 0.386 -5.586 16.961 1.00 0.00 H new TER 1078 ARG A 72