USER MOD reduce.3.24.130724 H: found=0, std=0, add=564, rem=0, adj=8 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+ -149:sc= 0 (180deg=-0.689) USER MOD Single : A 2 SER OG : rot 180:sc= 0.386 USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 SER OG : rot -30:sc= -0.127 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -0.212 K(o=-0.21,f=-2.7!) USER MOD Single : A 45 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot -47:sc= 0.931 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot -46:sc= 1.15 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.659 -11.470 24.106 1.00 0.00 N ATOM 2 CA MET A 1 -4.949 -12.688 24.457 1.00 0.00 C ATOM 3 C MET A 1 -5.847 -13.915 24.285 1.00 0.00 C ATOM 4 O MET A 1 -6.361 -14.455 25.263 1.00 0.00 O ATOM 5 CB MET A 1 -4.474 -12.602 25.909 1.00 0.00 C ATOM 6 CG MET A 1 -3.395 -11.530 26.070 1.00 0.00 C ATOM 7 SD MET A 1 -2.231 -12.020 27.331 1.00 0.00 S ATOM 8 CE MET A 1 -0.733 -12.085 26.362 1.00 0.00 C ATOM 0 H1 MET A 1 -4.987 -10.775 23.723 1.00 0.00 H new ATOM 0 H2 MET A 1 -6.382 -11.684 23.390 1.00 0.00 H new ATOM 0 H3 MET A 1 -6.117 -11.079 24.954 1.00 0.00 H new ATOM 0 HA MET A 1 -4.092 -12.792 23.791 1.00 0.00 H new ATOM 0 HB2 MET A 1 -5.319 -12.373 26.559 1.00 0.00 H new ATOM 0 HB3 MET A 1 -4.081 -13.569 26.225 1.00 0.00 H new ATOM 0 HG2 MET A 1 -2.876 -11.380 25.123 1.00 0.00 H new ATOM 0 HG3 MET A 1 -3.854 -10.578 26.337 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.101 -12.378 27.000 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.850 -12.814 25.560 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.534 -11.103 25.933 1.00 0.00 H new ATOM 18 N SER A 2 -6.007 -14.320 23.034 1.00 0.00 N ATOM 19 CA SER A 2 -6.834 -15.474 22.721 1.00 0.00 C ATOM 20 C SER A 2 -6.624 -15.889 21.264 1.00 0.00 C ATOM 21 O SER A 2 -5.709 -15.401 20.601 1.00 0.00 O ATOM 22 CB SER A 2 -8.313 -15.178 22.981 1.00 0.00 C ATOM 23 OG SER A 2 -9.108 -16.360 22.942 1.00 0.00 O ATOM 0 H SER A 2 -5.578 -13.870 22.225 1.00 0.00 H new ATOM 0 HA SER A 2 -6.535 -16.295 23.372 1.00 0.00 H new ATOM 0 HB2 SER A 2 -8.422 -14.700 23.955 1.00 0.00 H new ATOM 0 HB3 SER A 2 -8.678 -14.471 22.236 1.00 0.00 H new ATOM 0 HG SER A 2 -10.045 -16.130 23.114 1.00 0.00 H new ATOM 29 N LEU A 3 -7.485 -16.785 20.807 1.00 0.00 N ATOM 30 CA LEU A 3 -7.405 -17.272 19.440 1.00 0.00 C ATOM 31 C LEU A 3 -8.267 -16.386 18.537 1.00 0.00 C ATOM 32 O LEU A 3 -7.892 -16.101 17.401 1.00 0.00 O ATOM 33 CB LEU A 3 -7.772 -18.756 19.377 1.00 0.00 C ATOM 34 CG LEU A 3 -9.057 -19.160 20.101 1.00 0.00 C ATOM 35 CD1 LEU A 3 -9.972 -19.973 19.183 1.00 0.00 C ATOM 36 CD2 LEU A 3 -8.743 -19.904 21.401 1.00 0.00 C ATOM 0 H LEU A 3 -8.242 -17.187 21.359 1.00 0.00 H new ATOM 0 HA LEU A 3 -6.382 -17.205 19.071 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -7.863 -19.043 18.329 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -6.946 -19.332 19.795 1.00 0.00 H new ATOM 0 HG LEU A 3 -9.596 -18.252 20.371 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -10.878 -20.247 19.723 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -10.236 -19.375 18.311 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -9.454 -20.876 18.861 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -9.674 -20.180 21.896 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -8.171 -20.804 21.176 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -8.160 -19.258 22.058 1.00 0.00 H new ATOM 48 N GLY A 4 -9.406 -15.977 19.076 1.00 0.00 N ATOM 49 CA GLY A 4 -10.324 -15.130 18.334 1.00 0.00 C ATOM 50 C GLY A 4 -9.636 -13.839 17.883 1.00 0.00 C ATOM 51 O GLY A 4 -9.758 -13.438 16.727 1.00 0.00 O ATOM 0 H GLY A 4 -9.714 -16.217 20.018 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -10.700 -15.669 17.464 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -11.186 -14.889 18.956 1.00 0.00 H new ATOM 55 N VAL A 5 -8.929 -13.225 18.820 1.00 0.00 N ATOM 56 CA VAL A 5 -8.222 -11.988 18.534 1.00 0.00 C ATOM 57 C VAL A 5 -7.146 -12.253 17.479 1.00 0.00 C ATOM 58 O VAL A 5 -6.865 -11.394 16.644 1.00 0.00 O ATOM 59 CB VAL A 5 -7.658 -11.396 19.827 1.00 0.00 C ATOM 60 CG1 VAL A 5 -6.473 -12.219 20.336 1.00 0.00 C ATOM 61 CG2 VAL A 5 -7.266 -9.930 19.634 1.00 0.00 C ATOM 0 H VAL A 5 -8.830 -13.561 19.778 1.00 0.00 H new ATOM 0 HA VAL A 5 -8.905 -11.244 18.123 1.00 0.00 H new ATOM 0 HB VAL A 5 -8.442 -11.436 20.583 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -6.091 -11.776 21.256 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -6.797 -13.241 20.532 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -5.685 -12.227 19.583 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -6.868 -9.534 20.568 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -6.506 -9.856 18.856 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -8.144 -9.354 19.340 1.00 0.00 H new ATOM 71 N LEU A 6 -6.573 -13.446 17.551 1.00 0.00 N ATOM 72 CA LEU A 6 -5.535 -13.834 16.612 1.00 0.00 C ATOM 73 C LEU A 6 -6.084 -13.750 15.186 1.00 0.00 C ATOM 74 O LEU A 6 -5.479 -13.119 14.321 1.00 0.00 O ATOM 75 CB LEU A 6 -4.972 -15.210 16.975 1.00 0.00 C ATOM 76 CG LEU A 6 -3.748 -15.666 16.179 1.00 0.00 C ATOM 77 CD1 LEU A 6 -3.315 -17.073 16.595 1.00 0.00 C ATOM 78 CD2 LEU A 6 -4.004 -15.567 14.673 1.00 0.00 C ATOM 0 H LEU A 6 -6.808 -14.156 18.245 1.00 0.00 H new ATOM 0 HA LEU A 6 -4.692 -13.145 16.669 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -4.711 -15.206 18.033 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -5.762 -15.950 16.844 1.00 0.00 H new ATOM 0 HG LEU A 6 -2.922 -14.994 16.410 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -2.443 -17.372 16.013 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -3.063 -17.077 17.655 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -4.130 -17.773 16.413 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -3.118 -15.897 14.131 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -4.850 -16.200 14.405 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -4.227 -14.533 14.409 1.00 0.00 H new ATOM 90 N ALA A 7 -7.223 -14.396 14.987 1.00 0.00 N ATOM 91 CA ALA A 7 -7.861 -14.403 13.681 1.00 0.00 C ATOM 92 C ALA A 7 -8.138 -12.962 13.246 1.00 0.00 C ATOM 93 O ALA A 7 -8.120 -12.655 12.055 1.00 0.00 O ATOM 94 CB ALA A 7 -9.134 -15.249 13.738 1.00 0.00 C ATOM 0 H ALA A 7 -7.721 -14.918 15.708 1.00 0.00 H new ATOM 0 HA ALA A 7 -7.204 -14.853 12.936 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -9.612 -15.254 12.758 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -8.880 -16.270 14.023 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -9.819 -14.827 14.474 1.00 0.00 H new ATOM 100 N ALA A 8 -8.387 -12.117 14.236 1.00 0.00 N ATOM 101 CA ALA A 8 -8.667 -10.716 13.970 1.00 0.00 C ATOM 102 C ALA A 8 -7.391 -10.030 13.476 1.00 0.00 C ATOM 103 O ALA A 8 -7.454 -9.101 12.673 1.00 0.00 O ATOM 104 CB ALA A 8 -9.230 -10.060 15.232 1.00 0.00 C ATOM 0 H ALA A 8 -8.401 -12.375 15.223 1.00 0.00 H new ATOM 0 HA ALA A 8 -9.419 -10.617 13.187 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -9.440 -9.009 15.033 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -10.150 -10.565 15.525 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -8.501 -10.138 16.039 1.00 0.00 H new ATOM 110 N ALA A 9 -6.265 -10.514 13.977 1.00 0.00 N ATOM 111 CA ALA A 9 -4.977 -9.960 13.597 1.00 0.00 C ATOM 112 C ALA A 9 -4.669 -10.344 12.148 1.00 0.00 C ATOM 113 O ALA A 9 -3.997 -9.600 11.435 1.00 0.00 O ATOM 114 CB ALA A 9 -3.903 -10.448 14.571 1.00 0.00 C ATOM 0 H ALA A 9 -6.218 -11.285 14.644 1.00 0.00 H new ATOM 0 HA ALA A 9 -4.996 -8.872 13.653 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -2.937 -10.032 14.285 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -4.153 -10.124 15.581 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -3.852 -11.536 14.541 1.00 0.00 H new ATOM 120 N ILE A 10 -5.174 -11.504 11.757 1.00 0.00 N ATOM 121 CA ILE A 10 -4.961 -11.996 10.407 1.00 0.00 C ATOM 122 C ILE A 10 -5.917 -11.279 9.451 1.00 0.00 C ATOM 123 O ILE A 10 -5.495 -10.758 8.420 1.00 0.00 O ATOM 124 CB ILE A 10 -5.081 -13.521 10.367 1.00 0.00 C ATOM 125 CG1 ILE A 10 -3.717 -14.183 10.571 1.00 0.00 C ATOM 126 CG2 ILE A 10 -5.755 -13.985 9.074 1.00 0.00 C ATOM 127 CD1 ILE A 10 -3.785 -15.256 11.660 1.00 0.00 C ATOM 0 H ILE A 10 -5.731 -12.118 12.352 1.00 0.00 H new ATOM 0 HA ILE A 10 -3.948 -11.770 10.075 1.00 0.00 H new ATOM 0 HB ILE A 10 -5.719 -13.835 11.193 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -3.382 -14.630 9.635 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -2.980 -13.428 10.845 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -5.828 -15.073 9.072 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -6.754 -13.554 9.010 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -5.164 -13.659 8.218 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -2.802 -15.711 11.785 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -4.096 -14.801 12.600 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -4.505 -16.022 11.372 1.00 0.00 H new ATOM 139 N ALA A 11 -7.188 -11.277 9.827 1.00 0.00 N ATOM 140 CA ALA A 11 -8.207 -10.633 9.016 1.00 0.00 C ATOM 141 C ALA A 11 -7.857 -9.153 8.846 1.00 0.00 C ATOM 142 O ALA A 11 -8.302 -8.512 7.895 1.00 0.00 O ATOM 143 CB ALA A 11 -9.579 -10.838 9.662 1.00 0.00 C ATOM 0 H ALA A 11 -7.535 -11.711 10.682 1.00 0.00 H new ATOM 0 HA ALA A 11 -8.245 -11.079 8.022 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -10.343 -10.355 9.054 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -9.792 -11.905 9.733 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -9.580 -10.401 10.660 1.00 0.00 H new ATOM 149 N VAL A 12 -7.065 -8.654 9.783 1.00 0.00 N ATOM 150 CA VAL A 12 -6.651 -7.261 9.749 1.00 0.00 C ATOM 151 C VAL A 12 -5.543 -7.089 8.709 1.00 0.00 C ATOM 152 O VAL A 12 -5.635 -6.227 7.835 1.00 0.00 O ATOM 153 CB VAL A 12 -6.234 -6.805 11.149 1.00 0.00 C ATOM 154 CG1 VAL A 12 -4.952 -5.972 11.095 1.00 0.00 C ATOM 155 CG2 VAL A 12 -7.363 -6.032 11.833 1.00 0.00 C ATOM 0 H VAL A 12 -6.699 -9.189 10.571 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.481 -6.622 9.448 1.00 0.00 H new ATOM 0 HB VAL A 12 -6.030 -7.695 11.744 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -4.678 -5.661 12.103 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -4.147 -6.570 10.668 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -5.117 -5.091 10.475 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -7.040 -5.720 12.826 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -7.613 -5.153 11.240 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -8.241 -6.672 11.921 1.00 0.00 H new ATOM 165 N GLY A 13 -4.520 -7.921 8.837 1.00 0.00 N ATOM 166 CA GLY A 13 -3.395 -7.871 7.919 1.00 0.00 C ATOM 167 C GLY A 13 -3.858 -8.063 6.473 1.00 0.00 C ATOM 168 O GLY A 13 -3.302 -7.463 5.555 1.00 0.00 O ATOM 0 H GLY A 13 -4.447 -8.634 9.563 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -2.884 -6.913 8.017 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -2.674 -8.646 8.180 1.00 0.00 H new ATOM 172 N LEU A 14 -4.871 -8.902 6.317 1.00 0.00 N ATOM 173 CA LEU A 14 -5.415 -9.181 4.999 1.00 0.00 C ATOM 174 C LEU A 14 -6.229 -7.976 4.523 1.00 0.00 C ATOM 175 O LEU A 14 -6.277 -7.688 3.328 1.00 0.00 O ATOM 176 CB LEU A 14 -6.206 -10.491 5.012 1.00 0.00 C ATOM 177 CG LEU A 14 -7.395 -10.566 4.052 1.00 0.00 C ATOM 178 CD1 LEU A 14 -6.923 -10.623 2.598 1.00 0.00 C ATOM 179 CD2 LEU A 14 -8.310 -11.741 4.404 1.00 0.00 C ATOM 0 H LEU A 14 -5.329 -9.398 7.081 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.611 -9.328 4.278 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -5.523 -11.307 4.777 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -6.571 -10.662 6.025 1.00 0.00 H new ATOM 0 HG LEU A 14 -7.983 -9.655 4.164 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -7.788 -10.676 1.937 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -6.344 -9.728 2.368 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -6.300 -11.505 2.452 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -9.147 -11.772 3.707 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -7.748 -12.673 4.338 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -8.688 -11.617 5.419 1.00 0.00 H new ATOM 191 N GLY A 15 -6.849 -7.305 5.482 1.00 0.00 N ATOM 192 CA GLY A 15 -7.659 -6.138 5.176 1.00 0.00 C ATOM 193 C GLY A 15 -6.780 -4.950 4.778 1.00 0.00 C ATOM 194 O GLY A 15 -7.073 -4.254 3.807 1.00 0.00 O ATOM 0 H GLY A 15 -6.807 -7.547 6.472 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -8.349 -6.372 4.365 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -8.264 -5.873 6.043 1.00 0.00 H new ATOM 198 N ALA A 16 -5.721 -4.755 5.549 1.00 0.00 N ATOM 199 CA ALA A 16 -4.797 -3.663 5.289 1.00 0.00 C ATOM 200 C ALA A 16 -3.948 -4.001 4.062 1.00 0.00 C ATOM 201 O ALA A 16 -3.326 -3.119 3.472 1.00 0.00 O ATOM 202 CB ALA A 16 -3.947 -3.407 6.535 1.00 0.00 C ATOM 0 H ALA A 16 -5.482 -5.334 6.354 1.00 0.00 H new ATOM 0 HA ALA A 16 -5.340 -2.743 5.070 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -3.254 -2.588 6.341 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -4.596 -3.143 7.370 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -3.385 -4.307 6.783 1.00 0.00 H new ATOM 208 N LEU A 17 -3.949 -5.279 3.714 1.00 0.00 N ATOM 209 CA LEU A 17 -3.187 -5.744 2.568 1.00 0.00 C ATOM 210 C LEU A 17 -3.866 -5.268 1.283 1.00 0.00 C ATOM 211 O LEU A 17 -3.263 -4.547 0.488 1.00 0.00 O ATOM 212 CB LEU A 17 -2.989 -7.259 2.635 1.00 0.00 C ATOM 213 CG LEU A 17 -2.742 -7.963 1.299 1.00 0.00 C ATOM 214 CD1 LEU A 17 -1.430 -8.749 1.327 1.00 0.00 C ATOM 215 CD2 LEU A 17 -3.932 -8.847 0.917 1.00 0.00 C ATOM 0 H LEU A 17 -4.466 -6.008 4.206 1.00 0.00 H new ATOM 0 HA LEU A 17 -2.185 -5.315 2.577 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.146 -7.466 3.294 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.871 -7.701 3.098 1.00 0.00 H new ATOM 0 HG LEU A 17 -2.644 -7.202 0.525 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.279 -9.239 0.365 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.602 -8.068 1.521 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.473 -9.501 2.115 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.731 -9.336 -0.036 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.086 -9.603 1.687 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -4.828 -8.233 0.828 1.00 0.00 H new ATOM 227 N GLY A 18 -5.111 -5.690 1.117 1.00 0.00 N ATOM 228 CA GLY A 18 -5.878 -5.316 -0.058 1.00 0.00 C ATOM 229 C GLY A 18 -6.313 -3.851 0.014 1.00 0.00 C ATOM 230 O GLY A 18 -6.301 -3.145 -0.994 1.00 0.00 O ATOM 0 H GLY A 18 -5.608 -6.288 1.778 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -5.279 -5.477 -0.954 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -6.756 -5.956 -0.142 1.00 0.00 H new ATOM 234 N ALA A 19 -6.686 -3.436 1.216 1.00 0.00 N ATOM 235 CA ALA A 19 -7.124 -2.068 1.433 1.00 0.00 C ATOM 236 C ALA A 19 -5.935 -1.122 1.253 1.00 0.00 C ATOM 237 O ALA A 19 -6.078 -0.041 0.683 1.00 0.00 O ATOM 238 CB ALA A 19 -7.759 -1.949 2.819 1.00 0.00 C ATOM 0 H ALA A 19 -6.694 -4.024 2.050 1.00 0.00 H new ATOM 0 HA ALA A 19 -7.882 -1.787 0.702 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -8.088 -0.923 2.982 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -8.616 -2.619 2.885 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -7.027 -2.220 3.579 1.00 0.00 H new ATOM 244 N GLY A 20 -4.789 -1.563 1.750 1.00 0.00 N ATOM 245 CA GLY A 20 -3.576 -0.769 1.651 1.00 0.00 C ATOM 246 C GLY A 20 -3.277 -0.403 0.196 1.00 0.00 C ATOM 247 O GLY A 20 -3.056 0.765 -0.121 1.00 0.00 O ATOM 0 H GLY A 20 -4.675 -2.460 2.222 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -3.683 0.140 2.244 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -2.738 -1.326 2.069 1.00 0.00 H new ATOM 251 N ILE A 21 -3.280 -1.423 -0.650 1.00 0.00 N ATOM 252 CA ILE A 21 -3.011 -1.223 -2.064 1.00 0.00 C ATOM 253 C ILE A 21 -3.966 -0.161 -2.615 1.00 0.00 C ATOM 254 O ILE A 21 -3.598 0.610 -3.499 1.00 0.00 O ATOM 255 CB ILE A 21 -3.073 -2.554 -2.815 1.00 0.00 C ATOM 256 CG1 ILE A 21 -1.985 -2.630 -3.888 1.00 0.00 C ATOM 257 CG2 ILE A 21 -4.469 -2.792 -3.395 1.00 0.00 C ATOM 258 CD1 ILE A 21 -0.592 -2.655 -3.256 1.00 0.00 C ATOM 0 H ILE A 21 -3.464 -2.390 -0.383 1.00 0.00 H new ATOM 0 HA ILE A 21 -1.998 -0.848 -2.210 1.00 0.00 H new ATOM 0 HB ILE A 21 -2.879 -3.357 -2.104 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -2.129 -3.524 -4.494 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -2.069 -1.774 -4.557 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -4.486 -3.745 -3.924 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -5.200 -2.813 -2.587 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -4.717 -1.988 -4.088 1.00 0.00 H new ATOM 0 HD11 ILE A 21 0.163 -2.709 -4.041 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -0.442 -1.748 -2.670 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -0.503 -3.526 -2.606 1.00 0.00 H new ATOM 270 N GLY A 22 -5.173 -0.157 -2.068 1.00 0.00 N ATOM 271 CA GLY A 22 -6.183 0.797 -2.494 1.00 0.00 C ATOM 272 C GLY A 22 -5.872 2.199 -1.965 1.00 0.00 C ATOM 273 O GLY A 22 -6.131 3.193 -2.641 1.00 0.00 O ATOM 0 H GLY A 22 -5.474 -0.799 -1.334 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -6.232 0.818 -3.583 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -7.162 0.479 -2.137 1.00 0.00 H new ATOM 277 N ASN A 23 -5.320 2.233 -0.761 1.00 0.00 N ATOM 278 CA ASN A 23 -4.970 3.495 -0.133 1.00 0.00 C ATOM 279 C ASN A 23 -3.786 4.118 -0.876 1.00 0.00 C ATOM 280 O ASN A 23 -3.684 5.340 -0.975 1.00 0.00 O ATOM 281 CB ASN A 23 -4.558 3.290 1.326 1.00 0.00 C ATOM 282 CG ASN A 23 -5.333 4.229 2.252 1.00 0.00 C ATOM 283 OD1 ASN A 23 -6.514 4.058 2.504 1.00 0.00 O ATOM 284 ND2 ASN A 23 -4.604 5.228 2.743 1.00 0.00 N ATOM 0 H ASN A 23 -5.107 1.406 -0.204 1.00 0.00 H new ATOM 0 HA ASN A 23 -5.844 4.145 -0.172 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -4.740 2.255 1.617 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -3.488 3.468 1.434 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -5.030 5.909 3.371 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -3.619 5.313 2.491 1.00 0.00 H new ATOM 291 N GLY A 24 -2.921 3.250 -1.379 1.00 0.00 N ATOM 292 CA GLY A 24 -1.749 3.700 -2.110 1.00 0.00 C ATOM 293 C GLY A 24 -2.111 4.081 -3.547 1.00 0.00 C ATOM 294 O GLY A 24 -1.484 4.959 -4.137 1.00 0.00 O ATOM 0 H GLY A 24 -3.008 2.237 -1.295 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -1.307 4.558 -1.603 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -0.996 2.912 -2.118 1.00 0.00 H new ATOM 298 N LEU A 25 -3.122 3.401 -4.068 1.00 0.00 N ATOM 299 CA LEU A 25 -3.575 3.658 -5.425 1.00 0.00 C ATOM 300 C LEU A 25 -4.386 4.955 -5.450 1.00 0.00 C ATOM 301 O LEU A 25 -4.336 5.703 -6.425 1.00 0.00 O ATOM 302 CB LEU A 25 -4.332 2.448 -5.974 1.00 0.00 C ATOM 303 CG LEU A 25 -3.489 1.205 -6.268 1.00 0.00 C ATOM 304 CD1 LEU A 25 -4.267 -0.073 -5.950 1.00 0.00 C ATOM 305 CD2 LEU A 25 -2.975 1.219 -7.709 1.00 0.00 C ATOM 0 H LEU A 25 -3.640 2.673 -3.576 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.724 3.801 -6.091 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.108 2.175 -5.259 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -4.836 2.746 -6.893 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.617 1.222 -5.615 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.645 -0.941 -6.168 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -4.542 -0.079 -4.895 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -5.169 -0.111 -6.560 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.379 0.325 -7.891 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.820 1.238 -8.397 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.359 2.104 -7.867 1.00 0.00 H new ATOM 317 N ILE A 26 -5.114 5.181 -4.367 1.00 0.00 N ATOM 318 CA ILE A 26 -5.935 6.375 -4.253 1.00 0.00 C ATOM 319 C ILE A 26 -5.030 7.606 -4.175 1.00 0.00 C ATOM 320 O ILE A 26 -5.269 8.600 -4.858 1.00 0.00 O ATOM 321 CB ILE A 26 -6.903 6.248 -3.075 1.00 0.00 C ATOM 322 CG1 ILE A 26 -8.087 5.347 -3.433 1.00 0.00 C ATOM 323 CG2 ILE A 26 -7.358 7.626 -2.589 1.00 0.00 C ATOM 324 CD1 ILE A 26 -8.952 5.985 -4.523 1.00 0.00 C ATOM 0 H ILE A 26 -5.153 4.558 -3.560 1.00 0.00 H new ATOM 0 HA ILE A 26 -6.560 6.494 -5.138 1.00 0.00 H new ATOM 0 HB ILE A 26 -6.375 5.773 -2.248 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -7.721 4.379 -3.774 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -8.691 5.164 -2.544 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -8.045 7.508 -1.751 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -6.491 8.203 -2.268 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -7.862 8.150 -3.401 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -9.786 5.324 -4.759 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -9.336 6.942 -4.169 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -8.351 6.144 -5.418 1.00 0.00 H new ATOM 336 N VAL A 27 -4.009 7.498 -3.337 1.00 0.00 N ATOM 337 CA VAL A 27 -3.067 8.590 -3.162 1.00 0.00 C ATOM 338 C VAL A 27 -2.256 8.770 -4.446 1.00 0.00 C ATOM 339 O VAL A 27 -1.988 9.896 -4.863 1.00 0.00 O ATOM 340 CB VAL A 27 -2.192 8.334 -1.933 1.00 0.00 C ATOM 341 CG1 VAL A 27 -1.332 7.083 -2.124 1.00 0.00 C ATOM 342 CG2 VAL A 27 -1.324 9.552 -1.614 1.00 0.00 C ATOM 0 H VAL A 27 -3.814 6.671 -2.772 1.00 0.00 H new ATOM 0 HA VAL A 27 -3.596 9.525 -2.979 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.852 8.161 -1.083 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.720 6.923 -1.236 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.977 6.218 -2.280 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.686 7.215 -2.992 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.712 9.343 -0.736 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.677 9.770 -2.464 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.963 10.412 -1.414 1.00 0.00 H new ATOM 352 N SER A 28 -1.888 7.643 -5.038 1.00 0.00 N ATOM 353 CA SER A 28 -1.113 7.662 -6.267 1.00 0.00 C ATOM 354 C SER A 28 -1.939 8.279 -7.398 1.00 0.00 C ATOM 355 O SER A 28 -1.387 8.877 -8.320 1.00 0.00 O ATOM 356 CB SER A 28 -0.656 6.254 -6.652 1.00 0.00 C ATOM 357 OG SER A 28 -1.719 5.477 -7.197 1.00 0.00 O ATOM 0 H SER A 28 -2.112 6.711 -4.689 1.00 0.00 H new ATOM 0 HA SER A 28 -0.224 8.271 -6.101 1.00 0.00 H new ATOM 0 HB2 SER A 28 0.153 6.322 -7.379 1.00 0.00 H new ATOM 0 HB3 SER A 28 -0.253 5.751 -5.773 1.00 0.00 H new ATOM 0 HG SER A 28 -2.569 5.763 -6.803 1.00 0.00 H new ATOM 363 N ARG A 29 -3.249 8.112 -7.289 1.00 0.00 N ATOM 364 CA ARG A 29 -4.157 8.645 -8.291 1.00 0.00 C ATOM 365 C ARG A 29 -4.136 10.175 -8.265 1.00 0.00 C ATOM 366 O ARG A 29 -4.079 10.816 -9.314 1.00 0.00 O ATOM 367 CB ARG A 29 -5.587 8.157 -8.053 1.00 0.00 C ATOM 368 CG ARG A 29 -6.394 8.171 -9.352 1.00 0.00 C ATOM 369 CD ARG A 29 -7.058 9.532 -9.572 1.00 0.00 C ATOM 370 NE ARG A 29 -8.525 9.411 -9.421 1.00 0.00 N ATOM 371 CZ ARG A 29 -9.395 10.378 -9.739 1.00 0.00 C ATOM 372 NH1 ARG A 29 -8.952 11.545 -10.227 1.00 0.00 N ATOM 373 NH2 ARG A 29 -10.710 10.180 -9.569 1.00 0.00 N ATOM 0 H ARG A 29 -3.703 7.615 -6.523 1.00 0.00 H new ATOM 0 HA ARG A 29 -3.822 8.290 -9.266 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -5.567 7.147 -7.644 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -6.073 8.791 -7.312 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -5.740 7.942 -10.193 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -7.156 7.392 -9.319 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -6.669 10.255 -8.855 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -6.816 9.907 -10.567 1.00 0.00 H new ATOM 0 HE ARG A 29 -8.897 8.536 -9.051 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -7.952 11.697 -10.356 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -9.615 12.281 -10.469 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -11.048 9.292 -9.197 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -11.372 10.917 -9.811 1.00 0.00 H new ATOM 387 N THR A 30 -4.184 10.716 -7.057 1.00 0.00 N ATOM 388 CA THR A 30 -4.171 12.158 -6.881 1.00 0.00 C ATOM 389 C THR A 30 -2.765 12.712 -7.120 1.00 0.00 C ATOM 390 O THR A 30 -2.609 13.842 -7.582 1.00 0.00 O ATOM 391 CB THR A 30 -4.718 12.470 -5.487 1.00 0.00 C ATOM 392 OG1 THR A 30 -4.863 13.887 -5.479 1.00 0.00 O ATOM 393 CG2 THR A 30 -3.696 12.194 -4.382 1.00 0.00 C ATOM 0 H THR A 30 -4.232 10.181 -6.190 1.00 0.00 H new ATOM 0 HA THR A 30 -4.810 12.651 -7.614 1.00 0.00 H new ATOM 0 HB THR A 30 -5.615 11.877 -5.309 1.00 0.00 H new ATOM 0 HG1 THR A 30 -5.215 14.175 -4.611 1.00 0.00 H new ATOM 0 HG21 THR A 30 -4.135 12.432 -3.413 1.00 0.00 H new ATOM 0 HG22 THR A 30 -3.412 11.142 -4.403 1.00 0.00 H new ATOM 0 HG23 THR A 30 -2.812 12.811 -4.541 1.00 0.00 H new ATOM 401 N ILE A 31 -1.777 11.891 -6.795 1.00 0.00 N ATOM 402 CA ILE A 31 -0.389 12.285 -6.969 1.00 0.00 C ATOM 403 C ILE A 31 -0.082 12.410 -8.462 1.00 0.00 C ATOM 404 O ILE A 31 0.549 13.375 -8.891 1.00 0.00 O ATOM 405 CB ILE A 31 0.538 11.319 -6.229 1.00 0.00 C ATOM 406 CG1 ILE A 31 1.541 12.079 -5.359 1.00 0.00 C ATOM 407 CG2 ILE A 31 1.232 10.368 -7.206 1.00 0.00 C ATOM 408 CD1 ILE A 31 2.772 12.487 -6.171 1.00 0.00 C ATOM 0 H ILE A 31 -1.910 10.955 -6.412 1.00 0.00 H new ATOM 0 HA ILE A 31 -0.212 13.264 -6.524 1.00 0.00 H new ATOM 0 HB ILE A 31 -0.069 10.708 -5.561 1.00 0.00 H new ATOM 0 HG12 ILE A 31 1.066 12.967 -4.941 1.00 0.00 H new ATOM 0 HG13 ILE A 31 1.845 11.455 -4.519 1.00 0.00 H new ATOM 0 HG21 ILE A 31 1.885 9.692 -6.654 1.00 0.00 H new ATOM 0 HG22 ILE A 31 0.482 9.789 -7.745 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.824 10.945 -7.917 1.00 0.00 H new ATOM 0 HD11 ILE A 31 3.469 13.026 -5.529 1.00 0.00 H new ATOM 0 HD12 ILE A 31 3.258 11.596 -6.567 1.00 0.00 H new ATOM 0 HD13 ILE A 31 2.467 13.131 -6.996 1.00 0.00 H new ATOM 420 N GLU A 32 -0.542 11.420 -9.214 1.00 0.00 N ATOM 421 CA GLU A 32 -0.324 11.407 -10.650 1.00 0.00 C ATOM 422 C GLU A 32 -1.145 12.510 -11.321 1.00 0.00 C ATOM 423 O GLU A 32 -0.778 13.001 -12.387 1.00 0.00 O ATOM 424 CB GLU A 32 -0.657 10.037 -11.243 1.00 0.00 C ATOM 425 CG GLU A 32 -2.160 9.759 -11.171 1.00 0.00 C ATOM 426 CD GLU A 32 -2.554 8.626 -12.121 1.00 0.00 C ATOM 427 OE1 GLU A 32 -2.068 7.498 -11.891 1.00 0.00 O ATOM 428 OE2 GLU A 32 -3.333 8.913 -13.055 1.00 0.00 O ATOM 0 H GLU A 32 -1.065 10.621 -8.855 1.00 0.00 H new ATOM 0 HA GLU A 32 0.732 11.601 -10.840 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -0.325 9.995 -12.280 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -0.114 9.261 -10.703 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -2.436 9.495 -10.150 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -2.713 10.662 -11.427 1.00 0.00 H new ATOM 435 N GLY A 33 -2.243 12.866 -10.669 1.00 0.00 N ATOM 436 CA GLY A 33 -3.119 13.901 -11.190 1.00 0.00 C ATOM 437 C GLY A 33 -2.425 15.264 -11.179 1.00 0.00 C ATOM 438 O GLY A 33 -2.594 16.059 -12.103 1.00 0.00 O ATOM 0 H GLY A 33 -2.545 12.456 -9.785 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -3.419 13.650 -12.207 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -4.029 13.947 -10.592 1.00 0.00 H new ATOM 442 N ILE A 34 -1.657 15.493 -10.123 1.00 0.00 N ATOM 443 CA ILE A 34 -0.937 16.747 -9.980 1.00 0.00 C ATOM 444 C ILE A 34 0.184 16.808 -11.020 1.00 0.00 C ATOM 445 O ILE A 34 0.559 17.889 -11.471 1.00 0.00 O ATOM 446 CB ILE A 34 -0.449 16.923 -8.540 1.00 0.00 C ATOM 447 CG1 ILE A 34 0.960 16.355 -8.365 1.00 0.00 C ATOM 448 CG2 ILE A 34 -1.441 16.313 -7.547 1.00 0.00 C ATOM 449 CD1 ILE A 34 2.017 17.451 -8.520 1.00 0.00 C ATOM 0 H ILE A 34 -1.518 14.832 -9.359 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.599 17.591 -10.174 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.394 17.990 -8.326 1.00 0.00 H new ATOM 0 HG12 ILE A 34 1.050 15.894 -7.381 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.134 15.571 -9.102 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.071 16.451 -6.531 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.408 16.804 -7.651 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -1.551 15.248 -7.751 1.00 0.00 H new ATOM 0 HD11 ILE A 34 3.010 17.020 -8.391 1.00 0.00 H new ATOM 0 HD12 ILE A 34 1.940 17.893 -9.513 1.00 0.00 H new ATOM 0 HD13 ILE A 34 1.855 18.222 -7.766 1.00 0.00 H new ATOM 461 N ALA A 35 0.686 15.633 -11.371 1.00 0.00 N ATOM 462 CA ALA A 35 1.756 15.539 -12.350 1.00 0.00 C ATOM 463 C ALA A 35 1.215 15.922 -13.729 1.00 0.00 C ATOM 464 O ALA A 35 1.979 16.301 -14.616 1.00 0.00 O ATOM 465 CB ALA A 35 2.347 14.128 -12.327 1.00 0.00 C ATOM 0 H ALA A 35 0.372 14.738 -10.995 1.00 0.00 H new ATOM 0 HA ALA A 35 2.560 16.233 -12.107 1.00 0.00 H new ATOM 0 HB1 ALA A 35 3.149 14.058 -13.061 1.00 0.00 H new ATOM 0 HB2 ALA A 35 2.744 13.916 -11.334 1.00 0.00 H new ATOM 0 HB3 ALA A 35 1.569 13.404 -12.569 1.00 0.00 H new ATOM 471 N ARG A 36 -0.098 15.810 -13.866 1.00 0.00 N ATOM 472 CA ARG A 36 -0.750 16.140 -15.122 1.00 0.00 C ATOM 473 C ARG A 36 -0.349 17.546 -15.575 1.00 0.00 C ATOM 474 O ARG A 36 -0.341 17.838 -16.770 1.00 0.00 O ATOM 475 CB ARG A 36 -2.272 16.070 -14.987 1.00 0.00 C ATOM 476 CG ARG A 36 -2.732 14.639 -14.702 1.00 0.00 C ATOM 477 CD ARG A 36 -4.259 14.551 -14.660 1.00 0.00 C ATOM 478 NE ARG A 36 -4.719 13.369 -15.423 1.00 0.00 N ATOM 479 CZ ARG A 36 -5.990 12.947 -15.458 1.00 0.00 C ATOM 480 NH1 ARG A 36 -6.935 13.606 -14.774 1.00 0.00 N ATOM 481 NH2 ARG A 36 -6.316 11.864 -16.178 1.00 0.00 N ATOM 0 H ARG A 36 -0.728 15.495 -13.128 1.00 0.00 H new ATOM 0 HA ARG A 36 -0.428 15.410 -15.865 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -2.600 16.728 -14.182 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -2.739 16.430 -15.904 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -2.347 13.970 -15.471 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -2.319 14.303 -13.751 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -4.599 14.482 -13.627 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -4.695 15.457 -15.080 1.00 0.00 H new ATOM 0 HE ARG A 36 -4.025 12.843 -15.955 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -6.687 14.430 -14.226 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -7.902 13.284 -14.801 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -5.597 11.362 -16.698 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -7.283 11.542 -16.205 1.00 0.00 H new ATOM 495 N GLN A 37 -0.027 18.379 -14.596 1.00 0.00 N ATOM 496 CA GLN A 37 0.373 19.747 -14.879 1.00 0.00 C ATOM 497 C GLN A 37 1.676 19.763 -15.681 1.00 0.00 C ATOM 498 O GLN A 37 2.390 18.763 -15.733 1.00 0.00 O ATOM 499 CB GLN A 37 0.514 20.555 -13.588 1.00 0.00 C ATOM 500 CG GLN A 37 -0.723 21.423 -13.347 1.00 0.00 C ATOM 501 CD GLN A 37 -0.332 22.789 -12.780 1.00 0.00 C ATOM 502 OE1 GLN A 37 0.237 22.905 -11.707 1.00 0.00 O ATOM 503 NE2 GLN A 37 -0.667 23.814 -13.559 1.00 0.00 N ATOM 0 H GLN A 37 -0.035 18.133 -13.606 1.00 0.00 H new ATOM 0 HA GLN A 37 -0.406 20.217 -15.479 1.00 0.00 H new ATOM 0 HB2 GLN A 37 0.658 19.879 -12.745 1.00 0.00 H new ATOM 0 HB3 GLN A 37 1.401 21.187 -13.645 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -1.267 21.556 -14.282 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -1.397 20.918 -12.656 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -1.142 23.647 -14.446 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -0.449 24.767 -13.269 1.00 0.00 H new ATOM 512 N PRO A 38 1.954 20.941 -16.302 1.00 0.00 N ATOM 513 CA PRO A 38 3.158 21.101 -17.099 1.00 0.00 C ATOM 514 C PRO A 38 4.392 21.242 -16.205 1.00 0.00 C ATOM 515 O PRO A 38 5.420 20.613 -16.456 1.00 0.00 O ATOM 516 CB PRO A 38 2.903 22.330 -17.956 1.00 0.00 C ATOM 517 CG PRO A 38 1.766 23.080 -17.280 1.00 0.00 C ATOM 518 CD PRO A 38 1.132 22.147 -16.262 1.00 0.00 C ATOM 0 HA PRO A 38 3.367 20.233 -17.724 1.00 0.00 H new ATOM 0 HB2 PRO A 38 3.796 22.952 -18.023 1.00 0.00 H new ATOM 0 HB3 PRO A 38 2.634 22.048 -18.974 1.00 0.00 H new ATOM 0 HG2 PRO A 38 2.140 23.980 -16.792 1.00 0.00 H new ATOM 0 HG3 PRO A 38 1.028 23.399 -18.016 1.00 0.00 H new ATOM 0 HD2 PRO A 38 1.128 22.591 -15.266 1.00 0.00 H new ATOM 0 HD3 PRO A 38 0.095 21.928 -16.517 1.00 0.00 H new ATOM 526 N GLU A 39 4.250 22.070 -15.181 1.00 0.00 N ATOM 527 CA GLU A 39 5.341 22.301 -14.248 1.00 0.00 C ATOM 528 C GLU A 39 5.569 21.061 -13.381 1.00 0.00 C ATOM 529 O GLU A 39 6.590 20.952 -12.704 1.00 0.00 O ATOM 530 CB GLU A 39 5.071 23.533 -13.383 1.00 0.00 C ATOM 531 CG GLU A 39 6.345 24.358 -13.191 1.00 0.00 C ATOM 532 CD GLU A 39 6.095 25.544 -12.257 1.00 0.00 C ATOM 533 OE1 GLU A 39 5.451 26.509 -12.723 1.00 0.00 O ATOM 534 OE2 GLU A 39 6.553 25.459 -11.097 1.00 0.00 O ATOM 0 H GLU A 39 3.396 22.589 -14.976 1.00 0.00 H new ATOM 0 HA GLU A 39 6.249 22.492 -14.820 1.00 0.00 H new ATOM 0 HB2 GLU A 39 4.302 24.148 -13.850 1.00 0.00 H new ATOM 0 HB3 GLU A 39 4.685 23.223 -12.412 1.00 0.00 H new ATOM 0 HG2 GLU A 39 7.133 23.727 -12.780 1.00 0.00 H new ATOM 0 HG3 GLU A 39 6.698 24.719 -14.157 1.00 0.00 H new ATOM 541 N LEU A 40 4.600 20.158 -13.428 1.00 0.00 N ATOM 542 CA LEU A 40 4.683 18.931 -12.655 1.00 0.00 C ATOM 543 C LEU A 40 4.876 17.747 -13.605 1.00 0.00 C ATOM 544 O LEU A 40 4.413 16.642 -13.327 1.00 0.00 O ATOM 545 CB LEU A 40 3.465 18.792 -11.739 1.00 0.00 C ATOM 546 CG LEU A 40 3.333 19.844 -10.635 1.00 0.00 C ATOM 547 CD1 LEU A 40 4.706 20.362 -10.204 1.00 0.00 C ATOM 548 CD2 LEU A 40 2.402 20.978 -11.068 1.00 0.00 C ATOM 0 H LEU A 40 3.754 20.252 -13.989 1.00 0.00 H new ATOM 0 HA LEU A 40 5.549 18.955 -11.994 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.566 18.825 -12.355 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.496 17.807 -11.273 1.00 0.00 H new ATOM 0 HG LEU A 40 2.880 19.370 -9.764 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.583 21.108 -9.419 1.00 0.00 H new ATOM 0 HD12 LEU A 40 5.306 19.533 -9.827 1.00 0.00 H new ATOM 0 HD13 LEU A 40 5.209 20.814 -11.059 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.325 21.712 -10.266 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.803 21.457 -11.961 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.413 20.574 -11.286 1.00 0.00 H new ATOM 560 N ARG A 41 5.560 18.019 -14.706 1.00 0.00 N ATOM 561 CA ARG A 41 5.820 16.990 -15.699 1.00 0.00 C ATOM 562 C ARG A 41 6.715 15.898 -15.109 1.00 0.00 C ATOM 563 O ARG A 41 6.504 14.713 -15.363 1.00 0.00 O ATOM 564 CB ARG A 41 6.495 17.579 -16.939 1.00 0.00 C ATOM 565 CG ARG A 41 6.496 16.573 -18.092 1.00 0.00 C ATOM 566 CD ARG A 41 7.783 15.747 -18.098 1.00 0.00 C ATOM 567 NE ARG A 41 8.482 15.907 -19.393 1.00 0.00 N ATOM 568 CZ ARG A 41 7.978 15.518 -20.572 1.00 0.00 C ATOM 569 NH1 ARG A 41 6.769 14.943 -20.627 1.00 0.00 N ATOM 570 NH2 ARG A 41 8.684 15.704 -21.696 1.00 0.00 N ATOM 0 H ARG A 41 5.942 18.937 -14.933 1.00 0.00 H new ATOM 0 HA ARG A 41 4.862 16.561 -15.991 1.00 0.00 H new ATOM 0 HB2 ARG A 41 5.975 18.487 -17.244 1.00 0.00 H new ATOM 0 HB3 ARG A 41 7.519 17.864 -16.699 1.00 0.00 H new ATOM 0 HG2 ARG A 41 5.635 15.911 -18.002 1.00 0.00 H new ATOM 0 HG3 ARG A 41 6.394 17.101 -19.040 1.00 0.00 H new ATOM 0 HD2 ARG A 41 8.433 16.065 -17.283 1.00 0.00 H new ATOM 0 HD3 ARG A 41 7.551 14.696 -17.928 1.00 0.00 H new ATOM 0 HE ARG A 41 9.405 16.341 -19.387 1.00 0.00 H new ATOM 0 HH11 ARG A 41 6.232 14.801 -19.771 1.00 0.00 H new ATOM 0 HH12 ARG A 41 6.385 14.647 -21.525 1.00 0.00 H new ATOM 0 HH21 ARG A 41 9.604 16.141 -21.654 1.00 0.00 H new ATOM 0 HH22 ARG A 41 8.301 15.408 -22.594 1.00 0.00 H new ATOM 584 N PRO A 42 7.722 16.348 -14.313 1.00 0.00 N ATOM 585 CA PRO A 42 8.650 15.423 -13.685 1.00 0.00 C ATOM 586 C PRO A 42 7.993 14.703 -12.506 1.00 0.00 C ATOM 587 O PRO A 42 8.478 13.664 -12.060 1.00 0.00 O ATOM 588 CB PRO A 42 9.838 16.277 -13.273 1.00 0.00 C ATOM 589 CG PRO A 42 9.336 17.712 -13.263 1.00 0.00 C ATOM 590 CD PRO A 42 8.002 17.744 -13.991 1.00 0.00 C ATOM 0 HA PRO A 42 8.965 14.623 -14.355 1.00 0.00 H new ATOM 0 HB2 PRO A 42 10.206 15.985 -12.290 1.00 0.00 H new ATOM 0 HB3 PRO A 42 10.666 16.158 -13.972 1.00 0.00 H new ATOM 0 HG2 PRO A 42 9.221 18.069 -12.240 1.00 0.00 H new ATOM 0 HG3 PRO A 42 10.054 18.371 -13.752 1.00 0.00 H new ATOM 0 HD2 PRO A 42 7.219 18.171 -13.364 1.00 0.00 H new ATOM 0 HD3 PRO A 42 8.057 18.355 -14.892 1.00 0.00 H new ATOM 598 N VAL A 43 6.899 15.283 -12.035 1.00 0.00 N ATOM 599 CA VAL A 43 6.171 14.709 -10.916 1.00 0.00 C ATOM 600 C VAL A 43 5.670 13.315 -11.300 1.00 0.00 C ATOM 601 O VAL A 43 5.507 12.452 -10.439 1.00 0.00 O ATOM 602 CB VAL A 43 5.045 15.652 -10.487 1.00 0.00 C ATOM 603 CG1 VAL A 43 4.203 15.028 -9.372 1.00 0.00 C ATOM 604 CG2 VAL A 43 5.601 17.011 -10.058 1.00 0.00 C ATOM 0 H VAL A 43 6.499 16.144 -12.408 1.00 0.00 H new ATOM 0 HA VAL A 43 6.826 14.592 -10.053 1.00 0.00 H new ATOM 0 HB VAL A 43 4.396 15.812 -11.348 1.00 0.00 H new ATOM 0 HG11 VAL A 43 3.410 15.718 -9.085 1.00 0.00 H new ATOM 0 HG12 VAL A 43 3.762 14.096 -9.727 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.836 14.824 -8.509 1.00 0.00 H new ATOM 0 HG21 VAL A 43 4.780 17.662 -9.758 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.283 16.877 -9.218 1.00 0.00 H new ATOM 0 HG23 VAL A 43 6.137 17.464 -10.892 1.00 0.00 H new ATOM 614 N LEU A 44 5.441 13.139 -12.593 1.00 0.00 N ATOM 615 CA LEU A 44 4.962 11.865 -13.101 1.00 0.00 C ATOM 616 C LEU A 44 5.897 10.749 -12.630 1.00 0.00 C ATOM 617 O LEU A 44 5.441 9.711 -12.155 1.00 0.00 O ATOM 618 CB LEU A 44 4.791 11.924 -14.620 1.00 0.00 C ATOM 619 CG LEU A 44 3.501 11.316 -15.174 1.00 0.00 C ATOM 620 CD1 LEU A 44 3.031 12.070 -16.420 1.00 0.00 C ATOM 621 CD2 LEU A 44 3.670 9.819 -15.440 1.00 0.00 C ATOM 0 H LEU A 44 5.578 13.857 -13.304 1.00 0.00 H new ATOM 0 HA LEU A 44 3.973 11.643 -12.701 1.00 0.00 H new ATOM 0 HB2 LEU A 44 4.840 12.968 -14.931 1.00 0.00 H new ATOM 0 HB3 LEU A 44 5.637 11.414 -15.081 1.00 0.00 H new ATOM 0 HG LEU A 44 2.722 11.423 -14.419 1.00 0.00 H new ATOM 0 HD11 LEU A 44 2.112 11.618 -16.794 1.00 0.00 H new ATOM 0 HD12 LEU A 44 2.844 13.113 -16.165 1.00 0.00 H new ATOM 0 HD13 LEU A 44 3.801 12.017 -17.190 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.738 9.412 -15.833 1.00 0.00 H new ATOM 0 HD22 LEU A 44 4.468 9.666 -16.167 1.00 0.00 H new ATOM 0 HD23 LEU A 44 3.924 9.311 -14.510 1.00 0.00 H new ATOM 633 N GLN A 45 7.189 11.002 -12.778 1.00 0.00 N ATOM 634 CA GLN A 45 8.193 10.032 -12.374 1.00 0.00 C ATOM 635 C GLN A 45 8.075 9.739 -10.877 1.00 0.00 C ATOM 636 O GLN A 45 8.326 8.617 -10.439 1.00 0.00 O ATOM 637 CB GLN A 45 9.600 10.518 -12.728 1.00 0.00 C ATOM 638 CG GLN A 45 10.649 9.460 -12.383 1.00 0.00 C ATOM 639 CD GLN A 45 11.984 9.769 -13.063 1.00 0.00 C ATOM 640 OE1 GLN A 45 12.263 10.887 -13.462 1.00 0.00 O ATOM 641 NE2 GLN A 45 12.791 8.718 -13.172 1.00 0.00 N ATOM 0 H GLN A 45 7.564 11.865 -13.172 1.00 0.00 H new ATOM 0 HA GLN A 45 8.016 9.106 -12.921 1.00 0.00 H new ATOM 0 HB2 GLN A 45 9.651 10.752 -13.791 1.00 0.00 H new ATOM 0 HB3 GLN A 45 9.817 11.440 -12.188 1.00 0.00 H new ATOM 0 HG2 GLN A 45 10.788 9.419 -11.303 1.00 0.00 H new ATOM 0 HG3 GLN A 45 10.296 8.477 -12.696 1.00 0.00 H new ATOM 0 HE21 GLN A 45 12.495 7.809 -12.816 1.00 0.00 H new ATOM 0 HE22 GLN A 45 13.706 8.821 -13.611 1.00 0.00 H new ATOM 650 N THR A 46 7.693 10.767 -10.133 1.00 0.00 N ATOM 651 CA THR A 46 7.539 10.633 -8.695 1.00 0.00 C ATOM 652 C THR A 46 6.280 9.828 -8.366 1.00 0.00 C ATOM 653 O THR A 46 6.249 9.092 -7.381 1.00 0.00 O ATOM 654 CB THR A 46 7.538 12.037 -8.087 1.00 0.00 C ATOM 655 OG1 THR A 46 8.568 11.990 -7.103 1.00 0.00 O ATOM 656 CG2 THR A 46 6.268 12.327 -7.283 1.00 0.00 C ATOM 0 H THR A 46 7.486 11.696 -10.500 1.00 0.00 H new ATOM 0 HA THR A 46 8.367 10.074 -8.259 1.00 0.00 H new ATOM 0 HB THR A 46 7.641 12.776 -8.881 1.00 0.00 H new ATOM 0 HG1 THR A 46 8.637 12.861 -6.660 1.00 0.00 H new ATOM 0 HG21 THR A 46 6.319 13.336 -6.874 1.00 0.00 H new ATOM 0 HG22 THR A 46 5.398 12.243 -7.934 1.00 0.00 H new ATOM 0 HG23 THR A 46 6.182 11.609 -6.468 1.00 0.00 H new ATOM 664 N THR A 47 5.272 9.995 -9.209 1.00 0.00 N ATOM 665 CA THR A 47 4.014 9.293 -9.021 1.00 0.00 C ATOM 666 C THR A 47 4.157 7.824 -9.425 1.00 0.00 C ATOM 667 O THR A 47 3.494 6.954 -8.862 1.00 0.00 O ATOM 668 CB THR A 47 2.934 10.038 -9.808 1.00 0.00 C ATOM 669 OG1 THR A 47 3.187 9.682 -11.165 1.00 0.00 O ATOM 670 CG2 THR A 47 3.129 11.555 -9.778 1.00 0.00 C ATOM 0 H THR A 47 5.301 10.607 -10.025 1.00 0.00 H new ATOM 0 HA THR A 47 3.721 9.281 -7.971 1.00 0.00 H new ATOM 0 HB THR A 47 1.953 9.791 -9.402 1.00 0.00 H new ATOM 0 HG1 THR A 47 4.143 9.778 -11.356 1.00 0.00 H new ATOM 0 HG21 THR A 47 2.336 12.035 -10.351 1.00 0.00 H new ATOM 0 HG22 THR A 47 3.095 11.906 -8.747 1.00 0.00 H new ATOM 0 HG23 THR A 47 4.096 11.806 -10.215 1.00 0.00 H new ATOM 678 N MET A 48 5.026 7.594 -10.398 1.00 0.00 N ATOM 679 CA MET A 48 5.265 6.245 -10.885 1.00 0.00 C ATOM 680 C MET A 48 5.974 5.398 -9.827 1.00 0.00 C ATOM 681 O MET A 48 5.649 4.226 -9.644 1.00 0.00 O ATOM 682 CB MET A 48 6.121 6.304 -12.151 1.00 0.00 C ATOM 683 CG MET A 48 5.282 6.003 -13.395 1.00 0.00 C ATOM 684 SD MET A 48 6.221 6.370 -14.868 1.00 0.00 S ATOM 685 CE MET A 48 5.022 5.934 -16.116 1.00 0.00 C ATOM 0 H MET A 48 5.573 8.318 -10.863 1.00 0.00 H new ATOM 0 HA MET A 48 4.303 5.783 -11.108 1.00 0.00 H new ATOM 0 HB2 MET A 48 6.573 7.292 -12.243 1.00 0.00 H new ATOM 0 HB3 MET A 48 6.937 5.586 -12.076 1.00 0.00 H new ATOM 0 HG2 MET A 48 4.982 4.955 -13.397 1.00 0.00 H new ATOM 0 HG3 MET A 48 4.368 6.596 -13.379 1.00 0.00 H new ATOM 0 HE1 MET A 48 5.448 6.104 -17.105 1.00 0.00 H new ATOM 0 HE2 MET A 48 4.754 4.883 -16.012 1.00 0.00 H new ATOM 0 HE3 MET A 48 4.130 6.549 -15.995 1.00 0.00 H new ATOM 695 N PHE A 49 6.931 6.024 -9.157 1.00 0.00 N ATOM 696 CA PHE A 49 7.689 5.343 -8.122 1.00 0.00 C ATOM 697 C PHE A 49 6.847 5.158 -6.858 1.00 0.00 C ATOM 698 O PHE A 49 6.999 4.166 -6.146 1.00 0.00 O ATOM 699 CB PHE A 49 8.893 6.227 -7.794 1.00 0.00 C ATOM 700 CG PHE A 49 10.213 5.463 -7.677 1.00 0.00 C ATOM 701 CD1 PHE A 49 10.554 4.870 -6.501 1.00 0.00 C ATOM 702 CD2 PHE A 49 11.046 5.376 -8.749 1.00 0.00 C ATOM 703 CE1 PHE A 49 11.779 4.160 -6.393 1.00 0.00 C ATOM 704 CE2 PHE A 49 12.271 4.666 -8.640 1.00 0.00 C ATOM 705 CZ PHE A 49 12.612 4.073 -7.464 1.00 0.00 C ATOM 0 H PHE A 49 7.198 6.996 -9.311 1.00 0.00 H new ATOM 0 HA PHE A 49 7.993 4.356 -8.472 1.00 0.00 H new ATOM 0 HB2 PHE A 49 8.993 6.988 -8.568 1.00 0.00 H new ATOM 0 HB3 PHE A 49 8.703 6.749 -6.856 1.00 0.00 H new ATOM 0 HD1 PHE A 49 9.893 4.939 -5.650 1.00 0.00 H new ATOM 0 HD2 PHE A 49 10.776 5.847 -9.683 1.00 0.00 H new ATOM 0 HE1 PHE A 49 12.049 3.689 -5.460 1.00 0.00 H new ATOM 0 HE2 PHE A 49 12.932 4.597 -9.491 1.00 0.00 H new ATOM 0 HZ PHE A 49 13.544 3.533 -7.381 1.00 0.00 H new ATOM 715 N ILE A 50 5.978 6.128 -6.616 1.00 0.00 N ATOM 716 CA ILE A 50 5.112 6.085 -5.450 1.00 0.00 C ATOM 717 C ILE A 50 4.102 4.947 -5.613 1.00 0.00 C ATOM 718 O ILE A 50 3.697 4.327 -4.630 1.00 0.00 O ATOM 719 CB ILE A 50 4.467 7.451 -5.211 1.00 0.00 C ATOM 720 CG1 ILE A 50 4.704 7.926 -3.776 1.00 0.00 C ATOM 721 CG2 ILE A 50 2.979 7.425 -5.568 1.00 0.00 C ATOM 722 CD1 ILE A 50 6.140 8.421 -3.592 1.00 0.00 C ATOM 0 H ILE A 50 5.855 6.949 -7.208 1.00 0.00 H new ATOM 0 HA ILE A 50 5.692 5.871 -4.552 1.00 0.00 H new ATOM 0 HB ILE A 50 4.944 8.174 -5.872 1.00 0.00 H new ATOM 0 HG12 ILE A 50 4.006 8.727 -3.534 1.00 0.00 H new ATOM 0 HG13 ILE A 50 4.505 7.110 -3.082 1.00 0.00 H new ATOM 0 HG21 ILE A 50 2.545 8.409 -5.389 1.00 0.00 H new ATOM 0 HG22 ILE A 50 2.862 7.163 -6.619 1.00 0.00 H new ATOM 0 HG23 ILE A 50 2.470 6.685 -4.950 1.00 0.00 H new ATOM 0 HD11 ILE A 50 6.282 8.753 -2.563 1.00 0.00 H new ATOM 0 HD12 ILE A 50 6.835 7.610 -3.811 1.00 0.00 H new ATOM 0 HD13 ILE A 50 6.328 9.253 -4.271 1.00 0.00 H new ATOM 734 N GLY A 51 3.724 4.708 -6.860 1.00 0.00 N ATOM 735 CA GLY A 51 2.769 3.656 -7.163 1.00 0.00 C ATOM 736 C GLY A 51 3.367 2.275 -6.884 1.00 0.00 C ATOM 737 O GLY A 51 2.749 1.452 -6.211 1.00 0.00 O ATOM 0 H GLY A 51 4.062 5.225 -7.672 1.00 0.00 H new ATOM 0 HA2 GLY A 51 1.869 3.794 -6.564 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.470 3.722 -8.209 1.00 0.00 H new ATOM 741 N VAL A 52 4.562 2.065 -7.416 1.00 0.00 N ATOM 742 CA VAL A 52 5.250 0.799 -7.233 1.00 0.00 C ATOM 743 C VAL A 52 5.487 0.563 -5.739 1.00 0.00 C ATOM 744 O VAL A 52 5.238 -0.530 -5.233 1.00 0.00 O ATOM 745 CB VAL A 52 6.542 0.781 -8.053 1.00 0.00 C ATOM 746 CG1 VAL A 52 7.120 -0.633 -8.134 1.00 0.00 C ATOM 747 CG2 VAL A 52 6.312 1.362 -9.449 1.00 0.00 C ATOM 0 H VAL A 52 5.071 2.751 -7.974 1.00 0.00 H new ATOM 0 HA VAL A 52 4.637 -0.024 -7.599 1.00 0.00 H new ATOM 0 HB VAL A 52 7.272 1.411 -7.544 1.00 0.00 H new ATOM 0 HG11 VAL A 52 8.038 -0.618 -8.722 1.00 0.00 H new ATOM 0 HG12 VAL A 52 7.339 -0.995 -7.129 1.00 0.00 H new ATOM 0 HG13 VAL A 52 6.396 -1.295 -8.608 1.00 0.00 H new ATOM 0 HG21 VAL A 52 7.245 1.338 -10.011 1.00 0.00 H new ATOM 0 HG22 VAL A 52 5.559 0.770 -9.970 1.00 0.00 H new ATOM 0 HG23 VAL A 52 5.967 2.392 -9.362 1.00 0.00 H new ATOM 757 N ALA A 53 5.964 1.606 -5.077 1.00 0.00 N ATOM 758 CA ALA A 53 6.237 1.526 -3.652 1.00 0.00 C ATOM 759 C ALA A 53 4.967 1.093 -2.917 1.00 0.00 C ATOM 760 O ALA A 53 5.037 0.383 -1.915 1.00 0.00 O ATOM 761 CB ALA A 53 6.765 2.874 -3.157 1.00 0.00 C ATOM 0 H ALA A 53 6.169 2.511 -5.501 1.00 0.00 H new ATOM 0 HA ALA A 53 7.006 0.780 -3.450 1.00 0.00 H new ATOM 0 HB1 ALA A 53 6.970 2.814 -2.088 1.00 0.00 H new ATOM 0 HB2 ALA A 53 7.683 3.123 -3.689 1.00 0.00 H new ATOM 0 HB3 ALA A 53 6.019 3.647 -3.341 1.00 0.00 H new ATOM 767 N LEU A 54 3.836 1.537 -3.444 1.00 0.00 N ATOM 768 CA LEU A 54 2.552 1.204 -2.851 1.00 0.00 C ATOM 769 C LEU A 54 2.262 -0.282 -3.075 1.00 0.00 C ATOM 770 O LEU A 54 1.589 -0.916 -2.264 1.00 0.00 O ATOM 771 CB LEU A 54 1.458 2.131 -3.384 1.00 0.00 C ATOM 772 CG LEU A 54 0.428 1.488 -4.314 1.00 0.00 C ATOM 773 CD1 LEU A 54 -0.760 0.939 -3.521 1.00 0.00 C ATOM 774 CD2 LEU A 54 -0.014 2.467 -5.404 1.00 0.00 C ATOM 0 H LEU A 54 3.782 2.125 -4.276 1.00 0.00 H new ATOM 0 HA LEU A 54 2.577 1.366 -1.773 1.00 0.00 H new ATOM 0 HB2 LEU A 54 0.930 2.564 -2.534 1.00 0.00 H new ATOM 0 HB3 LEU A 54 1.935 2.954 -3.916 1.00 0.00 H new ATOM 0 HG LEU A 54 0.900 0.642 -4.813 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -1.477 0.487 -4.206 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -0.409 0.186 -2.815 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.241 1.752 -2.976 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.746 1.984 -6.051 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.462 3.347 -4.943 1.00 0.00 H new ATOM 0 HD23 LEU A 54 0.851 2.768 -5.996 1.00 0.00 H new ATOM 786 N VAL A 55 2.784 -0.794 -4.180 1.00 0.00 N ATOM 787 CA VAL A 55 2.589 -2.193 -4.521 1.00 0.00 C ATOM 788 C VAL A 55 3.402 -3.065 -3.562 1.00 0.00 C ATOM 789 O VAL A 55 3.062 -4.224 -3.331 1.00 0.00 O ATOM 790 CB VAL A 55 2.945 -2.428 -5.990 1.00 0.00 C ATOM 791 CG1 VAL A 55 3.123 -3.920 -6.279 1.00 0.00 C ATOM 792 CG2 VAL A 55 1.893 -1.812 -6.914 1.00 0.00 C ATOM 0 H VAL A 55 3.342 -0.265 -4.851 1.00 0.00 H new ATOM 0 HA VAL A 55 1.542 -2.472 -4.406 1.00 0.00 H new ATOM 0 HB VAL A 55 3.896 -1.933 -6.188 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.376 -4.059 -7.330 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.925 -4.318 -5.657 1.00 0.00 H new ATOM 0 HG13 VAL A 55 2.195 -4.447 -6.056 1.00 0.00 H new ATOM 0 HG21 VAL A 55 2.170 -1.993 -7.953 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.922 -2.265 -6.713 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.836 -0.738 -6.736 1.00 0.00 H new ATOM 802 N GLU A 56 4.462 -2.474 -3.029 1.00 0.00 N ATOM 803 CA GLU A 56 5.326 -3.182 -2.101 1.00 0.00 C ATOM 804 C GLU A 56 4.628 -3.351 -0.750 1.00 0.00 C ATOM 805 O GLU A 56 5.175 -3.970 0.162 1.00 0.00 O ATOM 806 CB GLU A 56 6.666 -2.461 -1.939 1.00 0.00 C ATOM 807 CG GLU A 56 7.752 -3.126 -2.786 1.00 0.00 C ATOM 808 CD GLU A 56 9.105 -2.444 -2.577 1.00 0.00 C ATOM 809 OE1 GLU A 56 9.810 -2.859 -1.631 1.00 0.00 O ATOM 810 OE2 GLU A 56 9.405 -1.523 -3.367 1.00 0.00 O ATOM 0 H GLU A 56 4.741 -1.512 -3.223 1.00 0.00 H new ATOM 0 HA GLU A 56 5.531 -4.172 -2.509 1.00 0.00 H new ATOM 0 HB2 GLU A 56 6.559 -1.417 -2.233 1.00 0.00 H new ATOM 0 HB3 GLU A 56 6.962 -2.468 -0.890 1.00 0.00 H new ATOM 0 HG2 GLU A 56 7.828 -4.181 -2.523 1.00 0.00 H new ATOM 0 HG3 GLU A 56 7.476 -3.079 -3.839 1.00 0.00 H new ATOM 817 N ALA A 57 3.431 -2.791 -0.664 1.00 0.00 N ATOM 818 CA ALA A 57 2.652 -2.872 0.561 1.00 0.00 C ATOM 819 C ALA A 57 1.797 -4.140 0.533 1.00 0.00 C ATOM 820 O ALA A 57 1.309 -4.587 1.570 1.00 0.00 O ATOM 821 CB ALA A 57 1.811 -1.603 0.716 1.00 0.00 C ATOM 0 H ALA A 57 2.981 -2.279 -1.423 1.00 0.00 H new ATOM 0 HA ALA A 57 3.307 -2.936 1.430 1.00 0.00 H new ATOM 0 HB1 ALA A 57 1.227 -1.664 1.634 1.00 0.00 H new ATOM 0 HB2 ALA A 57 2.468 -0.734 0.760 1.00 0.00 H new ATOM 0 HB3 ALA A 57 1.138 -1.506 -0.136 1.00 0.00 H new ATOM 827 N LEU A 58 1.640 -4.683 -0.665 1.00 0.00 N ATOM 828 CA LEU A 58 0.851 -5.891 -0.842 1.00 0.00 C ATOM 829 C LEU A 58 1.571 -7.066 -0.178 1.00 0.00 C ATOM 830 O LEU A 58 0.991 -7.766 0.650 1.00 0.00 O ATOM 831 CB LEU A 58 0.541 -6.116 -2.323 1.00 0.00 C ATOM 832 CG LEU A 58 -0.915 -6.442 -2.662 1.00 0.00 C ATOM 833 CD1 LEU A 58 -1.873 -5.518 -1.907 1.00 0.00 C ATOM 834 CD2 LEU A 58 -1.149 -6.399 -4.173 1.00 0.00 C ATOM 0 H LEU A 58 2.046 -4.309 -1.523 1.00 0.00 H new ATOM 0 HA LEU A 58 -0.116 -5.791 -0.350 1.00 0.00 H new ATOM 0 HB2 LEU A 58 0.830 -5.221 -2.874 1.00 0.00 H new ATOM 0 HB3 LEU A 58 1.169 -6.930 -2.685 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.123 -7.460 -2.333 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -2.901 -5.770 -2.166 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.728 -5.642 -0.834 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -1.673 -4.483 -2.183 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.192 -6.634 -4.387 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -0.918 -5.402 -4.549 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.505 -7.130 -4.662 1.00 0.00 H new ATOM 846 N PRO A 59 2.858 -7.252 -0.577 1.00 0.00 N ATOM 847 CA PRO A 59 3.663 -8.330 -0.030 1.00 0.00 C ATOM 848 C PRO A 59 4.115 -8.008 1.396 1.00 0.00 C ATOM 849 O PRO A 59 4.174 -8.894 2.247 1.00 0.00 O ATOM 850 CB PRO A 59 4.823 -8.486 -1.000 1.00 0.00 C ATOM 851 CG PRO A 59 4.878 -7.192 -1.796 1.00 0.00 C ATOM 852 CD PRO A 59 3.578 -6.442 -1.556 1.00 0.00 C ATOM 0 HA PRO A 59 3.109 -9.264 0.061 1.00 0.00 H new ATOM 0 HB2 PRO A 59 5.758 -8.656 -0.466 1.00 0.00 H new ATOM 0 HB3 PRO A 59 4.670 -9.342 -1.657 1.00 0.00 H new ATOM 0 HG2 PRO A 59 5.730 -6.588 -1.485 1.00 0.00 H new ATOM 0 HG3 PRO A 59 5.007 -7.402 -2.858 1.00 0.00 H new ATOM 0 HD2 PRO A 59 3.765 -5.437 -1.178 1.00 0.00 H new ATOM 0 HD3 PRO A 59 3.007 -6.335 -2.478 1.00 0.00 H new ATOM 860 N ILE A 60 4.423 -6.738 1.612 1.00 0.00 N ATOM 861 CA ILE A 60 4.867 -6.288 2.920 1.00 0.00 C ATOM 862 C ILE A 60 3.791 -6.610 3.959 1.00 0.00 C ATOM 863 O ILE A 60 4.056 -7.310 4.935 1.00 0.00 O ATOM 864 CB ILE A 60 5.255 -4.808 2.875 1.00 0.00 C ATOM 865 CG1 ILE A 60 6.642 -4.624 2.257 1.00 0.00 C ATOM 866 CG2 ILE A 60 5.156 -4.173 4.263 1.00 0.00 C ATOM 867 CD1 ILE A 60 6.971 -3.140 2.081 1.00 0.00 C ATOM 0 H ILE A 60 4.374 -6.006 0.903 1.00 0.00 H new ATOM 0 HA ILE A 60 5.769 -6.821 3.219 1.00 0.00 H new ATOM 0 HB ILE A 60 4.545 -4.288 2.232 1.00 0.00 H new ATOM 0 HG12 ILE A 60 7.393 -5.094 2.893 1.00 0.00 H new ATOM 0 HG13 ILE A 60 6.683 -5.126 1.291 1.00 0.00 H new ATOM 0 HG21 ILE A 60 5.437 -3.122 4.203 1.00 0.00 H new ATOM 0 HG22 ILE A 60 4.132 -4.255 4.628 1.00 0.00 H new ATOM 0 HG23 ILE A 60 5.828 -4.690 4.948 1.00 0.00 H new ATOM 0 HD11 ILE A 60 7.962 -3.037 1.640 1.00 0.00 H new ATOM 0 HD12 ILE A 60 6.232 -2.679 1.425 1.00 0.00 H new ATOM 0 HD13 ILE A 60 6.953 -2.646 3.052 1.00 0.00 H new ATOM 879 N ILE A 61 2.600 -6.084 3.713 1.00 0.00 N ATOM 880 CA ILE A 61 1.483 -6.307 4.615 1.00 0.00 C ATOM 881 C ILE A 61 1.167 -7.803 4.667 1.00 0.00 C ATOM 882 O ILE A 61 0.914 -8.350 5.740 1.00 0.00 O ATOM 883 CB ILE A 61 0.288 -5.440 4.212 1.00 0.00 C ATOM 884 CG1 ILE A 61 0.685 -3.964 4.132 1.00 0.00 C ATOM 885 CG2 ILE A 61 -0.895 -5.665 5.155 1.00 0.00 C ATOM 886 CD1 ILE A 61 0.550 -3.286 5.497 1.00 0.00 C ATOM 0 H ILE A 61 2.384 -5.504 2.902 1.00 0.00 H new ATOM 0 HA ILE A 61 1.743 -6.000 5.628 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.033 -5.742 3.215 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.713 -3.879 3.779 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.055 -3.453 3.404 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -1.731 -5.037 4.846 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -1.195 -6.712 5.119 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -0.603 -5.406 6.173 1.00 0.00 H new ATOM 0 HD11 ILE A 61 0.838 -2.238 5.413 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.484 -3.352 5.835 1.00 0.00 H new ATOM 0 HD13 ILE A 61 1.200 -3.784 6.217 1.00 0.00 H new ATOM 898 N GLY A 62 1.190 -8.422 3.496 1.00 0.00 N ATOM 899 CA GLY A 62 0.909 -9.844 3.396 1.00 0.00 C ATOM 900 C GLY A 62 1.784 -10.646 4.361 1.00 0.00 C ATOM 901 O GLY A 62 1.347 -11.659 4.905 1.00 0.00 O ATOM 0 H GLY A 62 1.399 -7.965 2.608 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -0.143 -10.027 3.616 1.00 0.00 H new ATOM 0 HA3 GLY A 62 1.084 -10.182 2.375 1.00 0.00 H new ATOM 905 N VAL A 63 3.003 -10.162 4.546 1.00 0.00 N ATOM 906 CA VAL A 63 3.944 -10.820 5.436 1.00 0.00 C ATOM 907 C VAL A 63 3.523 -10.575 6.887 1.00 0.00 C ATOM 908 O VAL A 63 3.666 -11.454 7.735 1.00 0.00 O ATOM 909 CB VAL A 63 5.367 -10.346 5.138 1.00 0.00 C ATOM 910 CG1 VAL A 63 6.269 -10.514 6.363 1.00 0.00 C ATOM 911 CG2 VAL A 63 5.946 -11.077 3.926 1.00 0.00 C ATOM 0 H VAL A 63 3.361 -9.321 4.094 1.00 0.00 H new ATOM 0 HA VAL A 63 3.935 -11.898 5.272 1.00 0.00 H new ATOM 0 HB VAL A 63 5.323 -9.284 4.898 1.00 0.00 H new ATOM 0 HG11 VAL A 63 7.275 -10.170 6.124 1.00 0.00 H new ATOM 0 HG12 VAL A 63 5.871 -9.927 7.191 1.00 0.00 H new ATOM 0 HG13 VAL A 63 6.304 -11.566 6.648 1.00 0.00 H new ATOM 0 HG21 VAL A 63 6.959 -10.721 3.736 1.00 0.00 H new ATOM 0 HG22 VAL A 63 5.969 -12.149 4.124 1.00 0.00 H new ATOM 0 HG23 VAL A 63 5.323 -10.883 3.053 1.00 0.00 H new ATOM 921 N VAL A 64 3.013 -9.376 7.127 1.00 0.00 N ATOM 922 CA VAL A 64 2.571 -9.004 8.460 1.00 0.00 C ATOM 923 C VAL A 64 1.478 -9.972 8.919 1.00 0.00 C ATOM 924 O VAL A 64 1.605 -10.604 9.966 1.00 0.00 O ATOM 925 CB VAL A 64 2.118 -7.542 8.472 1.00 0.00 C ATOM 926 CG1 VAL A 64 1.330 -7.223 9.744 1.00 0.00 C ATOM 927 CG2 VAL A 64 3.311 -6.597 8.314 1.00 0.00 C ATOM 0 H VAL A 64 2.896 -8.650 6.421 1.00 0.00 H new ATOM 0 HA VAL A 64 3.394 -9.082 9.171 1.00 0.00 H new ATOM 0 HB VAL A 64 1.455 -7.389 7.620 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.020 -6.178 9.727 1.00 0.00 H new ATOM 0 HG12 VAL A 64 0.449 -7.862 9.796 1.00 0.00 H new ATOM 0 HG13 VAL A 64 1.959 -7.401 10.616 1.00 0.00 H new ATOM 0 HG21 VAL A 64 2.961 -5.565 8.326 1.00 0.00 H new ATOM 0 HG22 VAL A 64 4.010 -6.753 9.136 1.00 0.00 H new ATOM 0 HG23 VAL A 64 3.813 -6.799 7.368 1.00 0.00 H new ATOM 937 N PHE A 65 0.431 -10.057 8.112 1.00 0.00 N ATOM 938 CA PHE A 65 -0.683 -10.937 8.423 1.00 0.00 C ATOM 939 C PHE A 65 -0.191 -12.347 8.755 1.00 0.00 C ATOM 940 O PHE A 65 -0.615 -12.939 9.746 1.00 0.00 O ATOM 941 CB PHE A 65 -1.566 -10.998 7.175 1.00 0.00 C ATOM 942 CG PHE A 65 -1.948 -12.418 6.752 1.00 0.00 C ATOM 943 CD1 PHE A 65 -2.779 -13.160 7.533 1.00 0.00 C ATOM 944 CD2 PHE A 65 -1.457 -12.938 5.595 1.00 0.00 C ATOM 945 CE1 PHE A 65 -3.133 -14.478 7.140 1.00 0.00 C ATOM 946 CE2 PHE A 65 -1.812 -14.256 5.203 1.00 0.00 C ATOM 947 CZ PHE A 65 -2.642 -14.998 5.984 1.00 0.00 C ATOM 0 H PHE A 65 0.330 -9.531 7.244 1.00 0.00 H new ATOM 0 HA PHE A 65 -1.227 -10.558 9.288 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -2.476 -10.427 7.358 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -1.045 -10.512 6.350 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -3.169 -12.747 8.451 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -0.798 -12.349 4.975 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -3.793 -15.067 7.760 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -1.423 -14.669 4.284 1.00 0.00 H new ATOM 0 HZ PHE A 65 -2.911 -16.001 5.686 1.00 0.00 H new ATOM 957 N SER A 66 0.697 -12.845 7.906 1.00 0.00 N ATOM 958 CA SER A 66 1.251 -14.174 8.097 1.00 0.00 C ATOM 959 C SER A 66 2.002 -14.242 9.428 1.00 0.00 C ATOM 960 O SER A 66 1.900 -15.231 10.153 1.00 0.00 O ATOM 961 CB SER A 66 2.180 -14.555 6.943 1.00 0.00 C ATOM 962 OG SER A 66 3.484 -14.002 7.103 1.00 0.00 O ATOM 0 H SER A 66 1.046 -12.351 7.084 1.00 0.00 H new ATOM 0 HA SER A 66 0.428 -14.888 8.115 1.00 0.00 H new ATOM 0 HB2 SER A 66 2.252 -15.641 6.879 1.00 0.00 H new ATOM 0 HB3 SER A 66 1.752 -14.208 6.003 1.00 0.00 H new ATOM 0 HG SER A 66 3.410 -13.057 7.350 1.00 0.00 H new ATOM 968 N PHE A 67 2.740 -13.178 9.709 1.00 0.00 N ATOM 969 CA PHE A 67 3.509 -13.105 10.940 1.00 0.00 C ATOM 970 C PHE A 67 2.592 -13.163 12.163 1.00 0.00 C ATOM 971 O PHE A 67 2.955 -13.737 13.189 1.00 0.00 O ATOM 972 CB PHE A 67 4.242 -11.762 10.930 1.00 0.00 C ATOM 973 CG PHE A 67 5.754 -11.879 10.727 1.00 0.00 C ATOM 974 CD1 PHE A 67 6.264 -12.005 9.473 1.00 0.00 C ATOM 975 CD2 PHE A 67 6.588 -11.857 11.801 1.00 0.00 C ATOM 976 CE1 PHE A 67 7.667 -12.114 9.284 1.00 0.00 C ATOM 977 CE2 PHE A 67 7.991 -11.966 11.613 1.00 0.00 C ATOM 978 CZ PHE A 67 8.501 -12.092 10.358 1.00 0.00 C ATOM 0 H PHE A 67 2.822 -12.360 9.106 1.00 0.00 H new ATOM 0 HA PHE A 67 4.200 -13.946 10.998 1.00 0.00 H new ATOM 0 HB2 PHE A 67 3.827 -11.139 10.138 1.00 0.00 H new ATOM 0 HB3 PHE A 67 4.051 -11.249 11.872 1.00 0.00 H new ATOM 0 HD1 PHE A 67 5.602 -12.022 8.620 1.00 0.00 H new ATOM 0 HD2 PHE A 67 6.183 -11.757 12.797 1.00 0.00 H new ATOM 0 HE1 PHE A 67 8.072 -12.214 8.288 1.00 0.00 H new ATOM 0 HE2 PHE A 67 8.653 -11.949 12.466 1.00 0.00 H new ATOM 0 HZ PHE A 67 9.568 -12.175 10.215 1.00 0.00 H new ATOM 988 N ILE A 68 1.421 -12.561 12.015 1.00 0.00 N ATOM 989 CA ILE A 68 0.450 -12.538 13.095 1.00 0.00 C ATOM 990 C ILE A 68 0.155 -13.971 13.541 1.00 0.00 C ATOM 991 O ILE A 68 0.310 -14.304 14.715 1.00 0.00 O ATOM 992 CB ILE A 68 -0.797 -11.755 12.677 1.00 0.00 C ATOM 993 CG1 ILE A 68 -0.687 -10.286 13.092 1.00 0.00 C ATOM 994 CG2 ILE A 68 -2.066 -12.412 13.224 1.00 0.00 C ATOM 995 CD1 ILE A 68 0.587 -9.652 12.529 1.00 0.00 C ATOM 0 H ILE A 68 1.123 -12.085 11.163 1.00 0.00 H new ATOM 0 HA ILE A 68 0.854 -12.012 13.960 1.00 0.00 H new ATOM 0 HB ILE A 68 -0.866 -11.778 11.589 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -1.559 -9.737 12.736 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -0.685 -10.211 14.179 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -2.937 -11.836 12.913 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -2.146 -13.428 12.837 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -2.020 -12.441 14.313 1.00 0.00 H new ATOM 0 HD11 ILE A 68 0.641 -8.608 12.838 1.00 0.00 H new ATOM 0 HD12 ILE A 68 1.458 -10.188 12.907 1.00 0.00 H new ATOM 0 HD13 ILE A 68 0.571 -9.707 11.441 1.00 0.00 H new ATOM 1007 N TYR A 69 -0.266 -14.781 12.580 1.00 0.00 N ATOM 1008 CA TYR A 69 -0.584 -16.171 12.860 1.00 0.00 C ATOM 1009 C TYR A 69 0.533 -16.838 13.665 1.00 0.00 C ATOM 1010 O TYR A 69 0.271 -17.486 14.678 1.00 0.00 O ATOM 1011 CB TYR A 69 -0.695 -16.860 11.498 1.00 0.00 C ATOM 1012 CG TYR A 69 -1.591 -18.101 11.500 1.00 0.00 C ATOM 1013 CD1 TYR A 69 -1.298 -19.162 12.332 1.00 0.00 C ATOM 1014 CD2 TYR A 69 -2.691 -18.158 10.669 1.00 0.00 C ATOM 1015 CE1 TYR A 69 -2.141 -20.329 12.334 1.00 0.00 C ATOM 1016 CE2 TYR A 69 -3.534 -19.326 10.670 1.00 0.00 C ATOM 1017 CZ TYR A 69 -3.218 -20.354 11.503 1.00 0.00 C ATOM 1018 OH TYR A 69 -4.014 -21.456 11.504 1.00 0.00 O ATOM 0 H TYR A 69 -0.394 -14.501 11.607 1.00 0.00 H new ATOM 0 HA TYR A 69 -1.502 -16.245 13.443 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -1.082 -16.146 10.771 1.00 0.00 H new ATOM 0 HB3 TYR A 69 0.303 -17.145 11.164 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -0.436 -19.117 12.982 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -2.920 -17.327 10.018 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -1.923 -21.166 12.981 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -4.397 -19.384 10.024 1.00 0.00 H new ATOM 0 HH TYR A 69 -4.744 -21.333 10.862 1.00 0.00 H new ATOM 1028 N LEU A 70 1.755 -16.656 13.186 1.00 0.00 N ATOM 1029 CA LEU A 70 2.912 -17.232 13.849 1.00 0.00 C ATOM 1030 C LEU A 70 2.905 -16.825 15.324 1.00 0.00 C ATOM 1031 O LEU A 70 3.532 -17.479 16.156 1.00 0.00 O ATOM 1032 CB LEU A 70 4.198 -16.849 13.112 1.00 0.00 C ATOM 1033 CG LEU A 70 5.195 -17.984 12.870 1.00 0.00 C ATOM 1034 CD1 LEU A 70 5.007 -18.592 11.479 1.00 0.00 C ATOM 1035 CD2 LEU A 70 6.631 -17.508 13.098 1.00 0.00 C ATOM 0 H LEU A 70 1.969 -16.118 12.346 1.00 0.00 H new ATOM 0 HA LEU A 70 2.866 -18.321 13.818 1.00 0.00 H new ATOM 0 HB2 LEU A 70 3.927 -16.419 12.148 1.00 0.00 H new ATOM 0 HB3 LEU A 70 4.700 -16.066 13.681 1.00 0.00 H new ATOM 0 HG LEU A 70 4.997 -18.773 13.595 1.00 0.00 H new ATOM 0 HD11 LEU A 70 5.728 -19.396 11.333 1.00 0.00 H new ATOM 0 HD12 LEU A 70 3.996 -18.990 11.390 1.00 0.00 H new ATOM 0 HD13 LEU A 70 5.163 -17.823 10.722 1.00 0.00 H new ATOM 0 HD21 LEU A 70 7.320 -18.333 12.920 1.00 0.00 H new ATOM 0 HD22 LEU A 70 6.857 -16.692 12.412 1.00 0.00 H new ATOM 0 HD23 LEU A 70 6.740 -17.160 14.125 1.00 0.00 H new ATOM 1047 N GLY A 71 2.187 -15.746 15.604 1.00 0.00 N ATOM 1048 CA GLY A 71 2.090 -15.244 16.964 1.00 0.00 C ATOM 1049 C GLY A 71 2.828 -13.912 17.111 1.00 0.00 C ATOM 1050 O GLY A 71 3.182 -13.514 18.219 1.00 0.00 O ATOM 0 H GLY A 71 1.667 -15.206 14.912 1.00 0.00 H new ATOM 0 HA2 GLY A 71 1.042 -15.115 17.234 1.00 0.00 H new ATOM 0 HA3 GLY A 71 2.509 -15.974 17.656 1.00 0.00 H new ATOM 1054 N ARG A 72 3.039 -13.261 15.977 1.00 0.00 N ATOM 1055 CA ARG A 72 3.728 -11.982 15.965 1.00 0.00 C ATOM 1056 C ARG A 72 5.174 -12.154 16.437 1.00 0.00 C ATOM 1057 O ARG A 72 5.718 -13.256 16.391 1.00 0.00 O ATOM 1058 CB ARG A 72 3.022 -10.967 16.867 1.00 0.00 C ATOM 1059 CG ARG A 72 3.230 -9.541 16.355 1.00 0.00 C ATOM 1060 CD ARG A 72 1.969 -9.017 15.665 1.00 0.00 C ATOM 1061 NE ARG A 72 1.815 -7.568 15.924 1.00 0.00 N ATOM 1062 CZ ARG A 72 1.633 -7.037 17.141 1.00 0.00 C ATOM 1063 NH1 ARG A 72 1.580 -7.833 18.218 1.00 0.00 N ATOM 1064 NH2 ARG A 72 1.504 -5.711 17.281 1.00 0.00 N ATOM 0 H ARG A 72 2.745 -13.595 15.059 1.00 0.00 H new ATOM 0 HA ARG A 72 3.718 -11.609 14.941 1.00 0.00 H new ATOM 0 HB2 ARG A 72 1.956 -11.191 16.908 1.00 0.00 H new ATOM 0 HB3 ARG A 72 3.404 -11.051 17.884 1.00 0.00 H new ATOM 0 HG2 ARG A 72 3.492 -8.887 17.186 1.00 0.00 H new ATOM 0 HG3 ARG A 72 4.067 -9.520 15.657 1.00 0.00 H new ATOM 0 HD2 ARG A 72 2.030 -9.199 14.592 1.00 0.00 H new ATOM 0 HD3 ARG A 72 1.094 -9.555 16.030 1.00 0.00 H new ATOM 0 HE ARG A 72 1.850 -6.934 15.126 1.00 0.00 H new ATOM 0 HH11 ARG A 72 1.678 -8.843 18.111 1.00 0.00 H new ATOM 0 HH12 ARG A 72 1.442 -7.429 19.144 1.00 0.00 H new ATOM 0 HH21 ARG A 72 1.544 -5.105 16.461 1.00 0.00 H new ATOM 0 HH22 ARG A 72 1.365 -5.307 18.207 1.00 0.00 H new TER 1078 ARG A 72