USER MOD reduce.3.24.130724 H: found=0, std=0, add=615, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 614 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 37 ASN : amide:sc= 0.898 K(o=0.73,f=-0.0064) USER MOD Set 1.2: A 59 ASN : amide:sc= -0.168 X(o=0.73,f=1) USER MOD Single : A 1 SER N :NH3+ -111:sc= 0.0709 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0.34 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot -120:sc= 0 USER MOD Single : A 22 ASN : amide:sc= 0.664 K(o=0.66,f=-7.4!) USER MOD Single : A 23 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 29 GLN : amide:sc= 0.665 K(o=0.67,f=-0.0044) USER MOD Single : A 33 TYR OH : rot -165:sc= 0.443 USER MOD Single : A 35 THR OG1 : rot -66:sc= 0.23 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 CYS SG : rot 180:sc= -1.32 USER MOD Single : A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -20.488 17.465 -15.295 1.00 0.00 N ATOM 2 CA SER A 1 -19.695 16.694 -14.308 1.00 0.00 C ATOM 3 C SER A 1 -18.216 17.088 -14.352 1.00 0.00 C ATOM 4 O SER A 1 -17.754 17.678 -15.330 1.00 0.00 O ATOM 5 CB SER A 1 -19.859 15.185 -14.536 1.00 0.00 C ATOM 6 OG SER A 1 -19.536 14.856 -15.878 1.00 0.00 O ATOM 0 H1 SER A 1 -21.118 18.124 -14.795 1.00 0.00 H new ATOM 0 H2 SER A 1 -19.846 18.001 -15.913 1.00 0.00 H new ATOM 0 H3 SER A 1 -21.057 16.811 -15.870 1.00 0.00 H new ATOM 0 HA SER A 1 -20.076 16.936 -13.316 1.00 0.00 H new ATOM 0 HB2 SER A 1 -19.213 14.634 -13.853 1.00 0.00 H new ATOM 0 HB3 SER A 1 -20.884 14.886 -14.317 1.00 0.00 H new ATOM 0 HG SER A 1 -19.642 13.891 -16.013 1.00 0.00 H new ATOM 14 N MET A 2 -17.460 16.780 -13.289 1.00 0.00 N ATOM 15 CA MET A 2 -16.025 17.116 -13.150 1.00 0.00 C ATOM 16 C MET A 2 -15.079 15.949 -13.524 1.00 0.00 C ATOM 17 O MET A 2 -13.865 16.137 -13.614 1.00 0.00 O ATOM 18 CB MET A 2 -15.796 17.636 -11.716 1.00 0.00 C ATOM 19 CG MET A 2 -14.503 18.445 -11.533 1.00 0.00 C ATOM 20 SD MET A 2 -14.504 20.073 -12.338 1.00 0.00 S ATOM 21 CE MET A 2 -12.847 20.636 -11.859 1.00 0.00 C ATOM 0 H MET A 2 -17.831 16.280 -12.481 1.00 0.00 H new ATOM 0 HA MET A 2 -15.771 17.895 -13.869 1.00 0.00 H new ATOM 0 HB2 MET A 2 -16.643 18.259 -11.429 1.00 0.00 H new ATOM 0 HB3 MET A 2 -15.778 16.787 -11.033 1.00 0.00 H new ATOM 0 HG2 MET A 2 -14.325 18.583 -10.466 1.00 0.00 H new ATOM 0 HG3 MET A 2 -13.668 17.863 -11.923 1.00 0.00 H new ATOM 0 HE1 MET A 2 -12.668 21.630 -12.269 1.00 0.00 H new ATOM 0 HE2 MET A 2 -12.775 20.673 -10.772 1.00 0.00 H new ATOM 0 HE3 MET A 2 -12.101 19.943 -12.248 1.00 0.00 H new ATOM 31 N ALA A 3 -15.619 14.749 -13.762 1.00 0.00 N ATOM 32 CA ALA A 3 -14.881 13.540 -14.147 1.00 0.00 C ATOM 33 C ALA A 3 -15.718 12.641 -15.092 1.00 0.00 C ATOM 34 O ALA A 3 -16.949 12.700 -15.076 1.00 0.00 O ATOM 35 CB ALA A 3 -14.485 12.792 -12.865 1.00 0.00 C ATOM 0 H ALA A 3 -16.623 14.586 -13.689 1.00 0.00 H new ATOM 0 HA ALA A 3 -13.985 13.818 -14.703 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -13.934 11.888 -13.126 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -13.856 13.434 -12.248 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -15.383 12.522 -12.309 1.00 0.00 H new ATOM 41 N ASP A 4 -15.124 11.777 -15.921 1.00 0.00 N ATOM 42 CA ASP A 4 -13.685 11.518 -16.106 1.00 0.00 C ATOM 43 C ASP A 4 -13.135 12.142 -17.411 1.00 0.00 C ATOM 44 O ASP A 4 -13.887 12.398 -18.356 1.00 0.00 O ATOM 45 CB ASP A 4 -13.448 9.997 -16.035 1.00 0.00 C ATOM 46 CG ASP A 4 -11.961 9.598 -16.000 1.00 0.00 C ATOM 47 OD1 ASP A 4 -11.127 10.391 -15.499 1.00 0.00 O ATOM 48 OD2 ASP A 4 -11.627 8.484 -16.468 1.00 0.00 O ATOM 0 H ASP A 4 -15.684 11.187 -16.536 1.00 0.00 H new ATOM 0 HA ASP A 4 -13.128 12.004 -15.305 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -13.941 9.604 -15.146 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -13.921 9.525 -16.896 1.00 0.00 H new ATOM 53 N ARG A 5 -11.819 12.398 -17.456 1.00 0.00 N ATOM 54 CA ARG A 5 -11.080 13.066 -18.555 1.00 0.00 C ATOM 55 C ARG A 5 -11.625 14.449 -18.971 1.00 0.00 C ATOM 56 O ARG A 5 -11.446 14.889 -20.109 1.00 0.00 O ATOM 57 CB ARG A 5 -10.898 12.124 -19.758 1.00 0.00 C ATOM 58 CG ARG A 5 -10.276 10.759 -19.409 1.00 0.00 C ATOM 59 CD ARG A 5 -9.904 9.941 -20.657 1.00 0.00 C ATOM 60 NE ARG A 5 -8.715 10.490 -21.345 1.00 0.00 N ATOM 61 CZ ARG A 5 -8.686 11.317 -22.377 1.00 0.00 C ATOM 62 NH1 ARG A 5 -9.755 11.694 -23.017 1.00 0.00 N ATOM 63 NH2 ARG A 5 -7.563 11.822 -22.792 1.00 0.00 N ATOM 0 H ARG A 5 -11.202 12.133 -16.688 1.00 0.00 H new ATOM 0 HA ARG A 5 -10.098 13.289 -18.139 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -11.869 11.958 -20.224 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -10.269 12.618 -20.499 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -9.384 10.915 -18.802 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -10.979 10.189 -18.802 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -9.711 8.908 -20.369 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -10.748 9.928 -21.347 1.00 0.00 H new ATOM 0 HE ARG A 5 -7.809 10.196 -20.980 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -10.670 11.349 -22.728 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -9.677 12.334 -23.807 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -6.691 11.582 -22.321 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -7.554 12.459 -23.589 1.00 0.00 H new ATOM 77 N VAL A 6 -12.269 15.146 -18.039 1.00 0.00 N ATOM 78 CA VAL A 6 -12.793 16.510 -18.184 1.00 0.00 C ATOM 79 C VAL A 6 -11.649 17.512 -18.007 1.00 0.00 C ATOM 80 O VAL A 6 -10.744 17.311 -17.192 1.00 0.00 O ATOM 81 CB VAL A 6 -13.942 16.774 -17.183 1.00 0.00 C ATOM 82 CG1 VAL A 6 -14.576 18.160 -17.362 1.00 0.00 C ATOM 83 CG2 VAL A 6 -15.071 15.744 -17.332 1.00 0.00 C ATOM 0 H VAL A 6 -12.451 14.759 -17.113 1.00 0.00 H new ATOM 0 HA VAL A 6 -13.212 16.630 -19.183 1.00 0.00 H new ATOM 0 HB VAL A 6 -13.479 16.704 -16.199 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -15.376 18.291 -16.634 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -13.818 18.929 -17.211 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -14.984 18.246 -18.369 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -15.860 15.962 -16.612 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -15.478 15.793 -18.342 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -14.678 14.744 -17.148 1.00 0.00 H new ATOM 93 N LEU A 7 -11.686 18.589 -18.787 1.00 0.00 N ATOM 94 CA LEU A 7 -10.715 19.688 -18.774 1.00 0.00 C ATOM 95 C LEU A 7 -10.820 20.586 -17.526 1.00 0.00 C ATOM 96 O LEU A 7 -11.896 20.734 -16.939 1.00 0.00 O ATOM 97 CB LEU A 7 -10.806 20.503 -20.084 1.00 0.00 C ATOM 98 CG LEU A 7 -12.055 21.397 -20.261 1.00 0.00 C ATOM 99 CD1 LEU A 7 -11.807 22.411 -21.378 1.00 0.00 C ATOM 100 CD2 LEU A 7 -13.324 20.616 -20.613 1.00 0.00 C ATOM 0 H LEU A 7 -12.424 18.729 -19.477 1.00 0.00 H new ATOM 0 HA LEU A 7 -9.725 19.236 -18.715 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -9.922 21.137 -20.153 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -10.765 19.807 -20.921 1.00 0.00 H new ATOM 0 HG LEU A 7 -12.216 21.881 -19.298 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -12.689 23.040 -21.501 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -10.950 23.034 -21.121 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -11.605 21.883 -22.310 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -14.159 21.308 -20.722 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -13.173 20.080 -21.550 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -13.545 19.903 -19.818 1.00 0.00 H new ATOM 112 N ARG A 8 -9.717 21.255 -17.174 1.00 0.00 N ATOM 113 CA ARG A 8 -9.634 22.346 -16.179 1.00 0.00 C ATOM 114 C ARG A 8 -9.227 23.662 -16.863 1.00 0.00 C ATOM 115 O ARG A 8 -9.210 23.739 -18.092 1.00 0.00 O ATOM 116 CB ARG A 8 -8.731 21.930 -14.996 1.00 0.00 C ATOM 117 CG ARG A 8 -7.222 21.813 -15.296 1.00 0.00 C ATOM 118 CD ARG A 8 -6.631 20.416 -15.049 1.00 0.00 C ATOM 119 NE ARG A 8 -6.846 19.504 -16.192 1.00 0.00 N ATOM 120 CZ ARG A 8 -7.811 18.620 -16.358 1.00 0.00 C ATOM 121 NH1 ARG A 8 -8.759 18.428 -15.490 1.00 0.00 N ATOM 122 NH2 ARG A 8 -7.873 17.907 -17.442 1.00 0.00 N ATOM 0 H ARG A 8 -8.810 21.045 -17.592 1.00 0.00 H new ATOM 0 HA ARG A 8 -10.615 22.533 -15.743 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -8.865 22.654 -14.192 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -9.081 20.968 -14.620 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -7.049 22.089 -16.336 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -6.685 22.535 -14.681 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -5.562 20.506 -14.855 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -7.082 19.986 -14.155 1.00 0.00 H new ATOM 0 HE ARG A 8 -6.163 19.566 -16.947 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -8.781 18.975 -14.629 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -9.481 17.730 -15.669 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -7.172 18.028 -18.173 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -8.623 17.226 -17.562 1.00 0.00 H new ATOM 136 N GLY A 9 -8.904 24.702 -16.090 1.00 0.00 N ATOM 137 CA GLY A 9 -8.240 25.926 -16.575 1.00 0.00 C ATOM 138 C GLY A 9 -6.788 25.693 -17.037 1.00 0.00 C ATOM 139 O GLY A 9 -5.864 26.342 -16.543 1.00 0.00 O ATOM 0 H GLY A 9 -9.098 24.722 -15.089 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -8.815 26.338 -17.404 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -8.245 26.672 -15.781 1.00 0.00 H new ATOM 143 N SER A 10 -6.576 24.745 -17.958 1.00 0.00 N ATOM 144 CA SER A 10 -5.273 24.167 -18.334 1.00 0.00 C ATOM 145 C SER A 10 -4.262 25.167 -18.913 1.00 0.00 C ATOM 146 O SER A 10 -3.062 24.880 -18.926 1.00 0.00 O ATOM 147 CB SER A 10 -5.489 23.040 -19.355 1.00 0.00 C ATOM 148 OG SER A 10 -6.390 22.060 -18.861 1.00 0.00 O ATOM 0 H SER A 10 -7.345 24.338 -18.490 1.00 0.00 H new ATOM 0 HA SER A 10 -4.840 23.801 -17.403 1.00 0.00 H new ATOM 0 HB2 SER A 10 -5.877 23.458 -20.284 1.00 0.00 H new ATOM 0 HB3 SER A 10 -4.533 22.572 -19.591 1.00 0.00 H new ATOM 0 HG SER A 10 -6.509 21.357 -19.533 1.00 0.00 H new ATOM 154 N ARG A 11 -4.716 26.349 -19.358 1.00 0.00 N ATOM 155 CA ARG A 11 -3.852 27.427 -19.874 1.00 0.00 C ATOM 156 C ARG A 11 -2.954 28.071 -18.808 1.00 0.00 C ATOM 157 O ARG A 11 -1.902 28.609 -19.155 1.00 0.00 O ATOM 158 CB ARG A 11 -4.695 28.465 -20.637 1.00 0.00 C ATOM 159 CG ARG A 11 -5.624 29.327 -19.763 1.00 0.00 C ATOM 160 CD ARG A 11 -6.330 30.378 -20.630 1.00 0.00 C ATOM 161 NE ARG A 11 -6.913 31.464 -19.820 1.00 0.00 N ATOM 162 CZ ARG A 11 -7.017 32.733 -20.167 1.00 0.00 C ATOM 163 NH1 ARG A 11 -6.763 33.153 -21.367 1.00 0.00 N ATOM 164 NH2 ARG A 11 -7.406 33.609 -19.297 1.00 0.00 N ATOM 0 H ARG A 11 -5.708 26.588 -19.370 1.00 0.00 H new ATOM 0 HA ARG A 11 -3.154 26.965 -20.572 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -4.021 29.125 -21.184 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -5.301 27.943 -21.378 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -6.362 28.695 -19.269 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -5.048 29.818 -18.979 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -5.619 30.798 -21.341 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -7.117 29.898 -21.212 1.00 0.00 H new ATOM 0 HE ARG A 11 -7.272 31.209 -18.900 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -6.470 32.493 -22.087 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -6.857 34.144 -21.591 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -7.631 33.318 -18.346 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -7.487 34.590 -19.563 1.00 0.00 H new ATOM 178 N LEU A 12 -3.346 27.975 -17.530 1.00 0.00 N ATOM 179 CA LEU A 12 -2.699 28.531 -16.327 1.00 0.00 C ATOM 180 C LEU A 12 -2.560 30.070 -16.339 1.00 0.00 C ATOM 181 O LEU A 12 -3.213 30.749 -15.544 1.00 0.00 O ATOM 182 CB LEU A 12 -1.394 27.752 -16.043 1.00 0.00 C ATOM 183 CG LEU A 12 -0.844 27.856 -14.604 1.00 0.00 C ATOM 184 CD1 LEU A 12 0.272 26.825 -14.421 1.00 0.00 C ATOM 185 CD2 LEU A 12 -0.255 29.225 -14.258 1.00 0.00 C ATOM 0 H LEU A 12 -4.195 27.464 -17.288 1.00 0.00 H new ATOM 0 HA LEU A 12 -3.360 28.378 -15.474 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -1.565 26.700 -16.270 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.626 28.106 -16.731 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.695 27.683 -13.946 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.666 26.892 -13.407 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.126 25.824 -14.591 1.00 0.00 H new ATOM 0 HD13 LEU A 12 1.071 27.024 -15.135 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.109 29.215 -13.231 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.571 29.447 -14.934 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -1.025 29.989 -14.363 1.00 0.00 H new ATOM 197 N GLY A 13 -1.734 30.623 -17.229 1.00 0.00 N ATOM 198 CA GLY A 13 -1.576 32.066 -17.447 1.00 0.00 C ATOM 199 C GLY A 13 -2.734 32.695 -18.237 1.00 0.00 C ATOM 200 O GLY A 13 -3.576 32.002 -18.808 1.00 0.00 O ATOM 0 H GLY A 13 -1.137 30.063 -17.838 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -1.492 32.565 -16.481 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -0.643 32.245 -17.981 1.00 0.00 H new ATOM 204 N ALA A 14 -2.759 34.028 -18.309 1.00 0.00 N ATOM 205 CA ALA A 14 -3.817 34.813 -18.958 1.00 0.00 C ATOM 206 C ALA A 14 -3.699 34.875 -20.503 1.00 0.00 C ATOM 207 O ALA A 14 -3.927 35.923 -21.109 1.00 0.00 O ATOM 208 CB ALA A 14 -3.878 36.192 -18.282 1.00 0.00 C ATOM 0 H ALA A 14 -2.024 34.609 -17.907 1.00 0.00 H new ATOM 0 HA ALA A 14 -4.771 34.306 -18.814 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -4.659 36.792 -18.750 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -4.101 36.068 -17.222 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -2.917 36.695 -18.394 1.00 0.00 H new ATOM 214 N VAL A 15 -3.318 33.768 -21.149 1.00 0.00 N ATOM 215 CA VAL A 15 -3.230 33.615 -22.615 1.00 0.00 C ATOM 216 C VAL A 15 -3.727 32.230 -23.010 1.00 0.00 C ATOM 217 O VAL A 15 -3.243 31.217 -22.508 1.00 0.00 O ATOM 218 CB VAL A 15 -1.790 33.829 -23.140 1.00 0.00 C ATOM 219 CG1 VAL A 15 -1.735 33.740 -24.674 1.00 0.00 C ATOM 220 CG2 VAL A 15 -1.208 35.193 -22.746 1.00 0.00 C ATOM 0 H VAL A 15 -3.051 32.919 -20.651 1.00 0.00 H new ATOM 0 HA VAL A 15 -3.857 34.383 -23.069 1.00 0.00 H new ATOM 0 HB VAL A 15 -1.200 33.036 -22.680 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -0.710 33.895 -25.011 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -2.077 32.756 -24.994 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -2.379 34.506 -25.106 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -0.197 35.285 -23.142 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -1.832 35.987 -23.156 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -1.181 35.277 -21.660 1.00 0.00 H new ATOM 230 N SER A 16 -4.699 32.191 -23.921 1.00 0.00 N ATOM 231 CA SER A 16 -5.337 30.962 -24.397 1.00 0.00 C ATOM 232 C SER A 16 -4.647 30.383 -25.635 1.00 0.00 C ATOM 233 O SER A 16 -4.368 31.098 -26.600 1.00 0.00 O ATOM 234 CB SER A 16 -6.808 31.234 -24.688 1.00 0.00 C ATOM 235 OG SER A 16 -7.501 31.433 -23.471 1.00 0.00 O ATOM 0 H SER A 16 -5.074 33.032 -24.359 1.00 0.00 H new ATOM 0 HA SER A 16 -5.245 30.215 -23.609 1.00 0.00 H new ATOM 0 HB2 SER A 16 -6.907 32.114 -25.323 1.00 0.00 H new ATOM 0 HB3 SER A 16 -7.243 30.396 -25.234 1.00 0.00 H new ATOM 0 HG SER A 16 -8.447 31.610 -23.658 1.00 0.00 H new ATOM 241 N TYR A 17 -4.397 29.072 -25.605 1.00 0.00 N ATOM 242 CA TYR A 17 -3.860 28.262 -26.704 1.00 0.00 C ATOM 243 C TYR A 17 -4.313 26.793 -26.548 1.00 0.00 C ATOM 244 O TYR A 17 -5.227 26.507 -25.774 1.00 0.00 O ATOM 245 CB TYR A 17 -2.328 28.442 -26.796 1.00 0.00 C ATOM 246 CG TYR A 17 -1.484 27.981 -25.616 1.00 0.00 C ATOM 247 CD1 TYR A 17 -1.426 28.758 -24.441 1.00 0.00 C ATOM 248 CD2 TYR A 17 -0.680 26.828 -25.728 1.00 0.00 C ATOM 249 CE1 TYR A 17 -0.584 28.381 -23.376 1.00 0.00 C ATOM 250 CE2 TYR A 17 0.176 26.456 -24.673 1.00 0.00 C ATOM 251 CZ TYR A 17 0.225 27.229 -23.493 1.00 0.00 C ATOM 252 OH TYR A 17 1.055 26.861 -22.478 1.00 0.00 O ATOM 0 H TYR A 17 -4.573 28.516 -24.768 1.00 0.00 H new ATOM 0 HA TYR A 17 -4.261 28.603 -27.659 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -1.982 27.911 -27.683 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -2.125 29.500 -26.959 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -2.031 29.648 -24.357 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -0.721 26.228 -26.625 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -0.557 28.972 -22.472 1.00 0.00 H new ATOM 0 HE2 TYR A 17 0.796 25.577 -24.767 1.00 0.00 H new ATOM 0 HH TYR A 17 1.536 26.045 -22.728 1.00 0.00 H new ATOM 262 N GLU A 18 -3.714 25.851 -27.283 1.00 0.00 N ATOM 263 CA GLU A 18 -4.156 24.446 -27.402 1.00 0.00 C ATOM 264 C GLU A 18 -3.934 23.541 -26.160 1.00 0.00 C ATOM 265 O GLU A 18 -3.793 22.324 -26.281 1.00 0.00 O ATOM 266 CB GLU A 18 -3.592 23.837 -28.704 1.00 0.00 C ATOM 267 CG GLU A 18 -2.061 23.695 -28.721 1.00 0.00 C ATOM 268 CD GLU A 18 -1.590 23.021 -30.022 1.00 0.00 C ATOM 269 OE1 GLU A 18 -1.647 21.770 -30.117 1.00 0.00 O ATOM 270 OE2 GLU A 18 -1.155 23.734 -30.959 1.00 0.00 O ATOM 0 H GLU A 18 -2.878 26.046 -27.833 1.00 0.00 H new ATOM 0 HA GLU A 18 -5.244 24.482 -27.452 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -4.039 22.854 -28.856 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -3.897 24.459 -29.545 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -1.599 24.678 -28.627 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.736 23.107 -27.863 1.00 0.00 H new ATOM 277 N THR A 19 -3.928 24.099 -24.945 1.00 0.00 N ATOM 278 CA THR A 19 -3.781 23.344 -23.681 1.00 0.00 C ATOM 279 C THR A 19 -4.969 22.435 -23.344 1.00 0.00 C ATOM 280 O THR A 19 -4.858 21.554 -22.492 1.00 0.00 O ATOM 281 CB THR A 19 -3.523 24.288 -22.497 1.00 0.00 C ATOM 282 OG1 THR A 19 -4.492 25.317 -22.447 1.00 0.00 O ATOM 283 CG2 THR A 19 -2.162 24.965 -22.621 1.00 0.00 C ATOM 0 H THR A 19 -4.026 25.104 -24.802 1.00 0.00 H new ATOM 0 HA THR A 19 -2.921 22.696 -23.847 1.00 0.00 H new ATOM 0 HB THR A 19 -3.566 23.674 -21.597 1.00 0.00 H new ATOM 0 HG1 THR A 19 -4.049 26.188 -22.524 1.00 0.00 H new ATOM 0 HG21 THR A 19 -2.006 25.627 -21.769 1.00 0.00 H new ATOM 0 HG22 THR A 19 -1.379 24.207 -22.639 1.00 0.00 H new ATOM 0 HG23 THR A 19 -2.127 25.545 -23.543 1.00 0.00 H new ATOM 291 N ASP A 20 -6.096 22.626 -24.028 1.00 0.00 N ATOM 292 CA ASP A 20 -7.334 21.845 -23.915 1.00 0.00 C ATOM 293 C ASP A 20 -7.661 21.051 -25.201 1.00 0.00 C ATOM 294 O ASP A 20 -8.822 20.750 -25.485 1.00 0.00 O ATOM 295 CB ASP A 20 -8.476 22.785 -23.491 1.00 0.00 C ATOM 296 CG ASP A 20 -8.929 23.733 -24.617 1.00 0.00 C ATOM 297 OD1 ASP A 20 -8.080 24.297 -25.348 1.00 0.00 O ATOM 298 OD2 ASP A 20 -10.149 23.943 -24.785 1.00 0.00 O ATOM 0 H ASP A 20 -6.178 23.373 -24.717 1.00 0.00 H new ATOM 0 HA ASP A 20 -7.200 21.082 -23.148 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -9.327 22.188 -23.163 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -8.152 23.377 -22.635 1.00 0.00 H new ATOM 303 N ARG A 21 -6.628 20.644 -25.956 1.00 0.00 N ATOM 304 CA ARG A 21 -6.739 19.902 -27.230 1.00 0.00 C ATOM 305 C ARG A 21 -7.460 18.550 -27.112 1.00 0.00 C ATOM 306 O ARG A 21 -8.000 18.059 -28.102 1.00 0.00 O ATOM 307 CB ARG A 21 -5.324 19.777 -27.826 1.00 0.00 C ATOM 308 CG ARG A 21 -5.240 19.018 -29.160 1.00 0.00 C ATOM 309 CD ARG A 21 -3.870 19.241 -29.810 1.00 0.00 C ATOM 310 NE ARG A 21 -3.762 18.538 -31.101 1.00 0.00 N ATOM 311 CZ ARG A 21 -2.915 18.808 -32.081 1.00 0.00 C ATOM 312 NH1 ARG A 21 -2.053 19.784 -32.025 1.00 0.00 N ATOM 313 NH2 ARG A 21 -2.919 18.082 -33.163 1.00 0.00 N ATOM 0 H ARG A 21 -5.660 20.826 -25.691 1.00 0.00 H new ATOM 0 HA ARG A 21 -7.382 20.465 -27.906 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -4.918 20.778 -27.970 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -4.684 19.275 -27.100 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -5.402 17.953 -28.992 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -6.029 19.358 -29.831 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -3.708 20.308 -29.961 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -3.086 18.891 -29.138 1.00 0.00 H new ATOM 0 HE ARG A 21 -4.407 17.763 -31.255 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -2.011 20.380 -31.199 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -1.421 19.952 -32.808 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -3.575 17.306 -33.254 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -2.266 18.290 -33.919 1.00 0.00 H new ATOM 327 N ASN A 22 -7.528 17.980 -25.907 1.00 0.00 N ATOM 328 CA ASN A 22 -8.326 16.789 -25.599 1.00 0.00 C ATOM 329 C ASN A 22 -9.833 16.981 -25.881 1.00 0.00 C ATOM 330 O ASN A 22 -10.475 16.069 -26.407 1.00 0.00 O ATOM 331 CB ASN A 22 -8.068 16.430 -24.125 1.00 0.00 C ATOM 332 CG ASN A 22 -8.846 15.202 -23.681 1.00 0.00 C ATOM 333 OD1 ASN A 22 -8.669 14.104 -24.193 1.00 0.00 O ATOM 334 ND2 ASN A 22 -9.726 15.345 -22.718 1.00 0.00 N ATOM 0 H ASN A 22 -7.019 18.341 -25.100 1.00 0.00 H new ATOM 0 HA ASN A 22 -8.020 15.974 -26.255 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -7.002 16.254 -23.978 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -8.341 17.277 -23.495 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -10.264 14.541 -22.395 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -9.872 16.260 -22.293 1.00 0.00 H new ATOM 341 N HIS A 23 -10.398 18.151 -25.545 1.00 0.00 N ATOM 342 CA HIS A 23 -11.806 18.500 -25.790 1.00 0.00 C ATOM 343 C HIS A 23 -12.035 20.026 -25.697 1.00 0.00 C ATOM 344 O HIS A 23 -12.216 20.562 -24.605 1.00 0.00 O ATOM 345 CB HIS A 23 -12.705 17.763 -24.776 1.00 0.00 C ATOM 346 CG HIS A 23 -14.177 18.002 -25.016 1.00 0.00 C ATOM 347 ND1 HIS A 23 -14.924 17.455 -26.063 1.00 0.00 N ATOM 348 CD2 HIS A 23 -14.988 18.806 -24.268 1.00 0.00 C ATOM 349 CE1 HIS A 23 -16.170 17.941 -25.920 1.00 0.00 C ATOM 350 NE2 HIS A 23 -16.235 18.755 -24.851 1.00 0.00 N ATOM 0 H HIS A 23 -9.877 18.898 -25.085 1.00 0.00 H new ATOM 0 HA HIS A 23 -12.065 18.188 -26.802 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -12.502 16.693 -24.828 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -12.449 18.087 -23.767 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -14.707 19.371 -23.391 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -17.000 17.710 -26.571 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -17.066 19.250 -24.527 1.00 0.00 H new ATOM 358 N ASP A 24 -12.062 20.787 -26.793 1.00 0.00 N ATOM 359 CA ASP A 24 -11.661 20.443 -28.166 1.00 0.00 C ATOM 360 C ASP A 24 -11.214 21.699 -28.939 1.00 0.00 C ATOM 361 O ASP A 24 -11.528 22.832 -28.556 1.00 0.00 O ATOM 362 CB ASP A 24 -12.819 19.762 -28.926 1.00 0.00 C ATOM 363 CG ASP A 24 -12.365 18.758 -30.007 1.00 0.00 C ATOM 364 OD1 ASP A 24 -11.172 18.751 -30.394 1.00 0.00 O ATOM 365 OD2 ASP A 24 -13.218 17.970 -30.481 1.00 0.00 O ATOM 0 H ASP A 24 -12.395 21.750 -26.741 1.00 0.00 H new ATOM 0 HA ASP A 24 -10.824 19.749 -28.097 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -13.454 19.243 -28.208 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -13.432 20.531 -29.396 1.00 0.00 H new ATOM 370 N LEU A 25 -10.521 21.496 -30.061 1.00 0.00 N ATOM 371 CA LEU A 25 -10.116 22.567 -30.979 1.00 0.00 C ATOM 372 C LEU A 25 -11.180 22.817 -32.060 1.00 0.00 C ATOM 373 O LEU A 25 -11.703 21.883 -32.673 1.00 0.00 O ATOM 374 CB LEU A 25 -8.729 22.299 -31.594 1.00 0.00 C ATOM 375 CG LEU A 25 -7.587 22.094 -30.582 1.00 0.00 C ATOM 376 CD1 LEU A 25 -6.282 21.843 -31.337 1.00 0.00 C ATOM 377 CD2 LEU A 25 -7.384 23.283 -29.641 1.00 0.00 C ATOM 0 H LEU A 25 -10.220 20.570 -30.364 1.00 0.00 H new ATOM 0 HA LEU A 25 -10.032 23.481 -30.391 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -8.795 21.413 -32.226 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -8.470 23.135 -32.244 1.00 0.00 H new ATOM 0 HG LEU A 25 -7.868 21.239 -29.967 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -5.471 21.697 -30.623 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -6.385 20.952 -31.956 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -6.058 22.701 -31.971 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -6.564 23.069 -28.956 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -7.146 24.172 -30.225 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -8.297 23.456 -29.071 1.00 0.00 H new ATOM 389 N ALA A 26 -11.488 24.094 -32.285 1.00 0.00 N ATOM 390 CA ALA A 26 -12.509 24.594 -33.208 1.00 0.00 C ATOM 391 C ALA A 26 -12.248 26.084 -33.531 1.00 0.00 C ATOM 392 O ALA A 26 -11.517 26.739 -32.779 1.00 0.00 O ATOM 393 CB ALA A 26 -13.878 24.428 -32.521 1.00 0.00 C ATOM 0 H ALA A 26 -11.005 24.851 -31.801 1.00 0.00 H new ATOM 0 HA ALA A 26 -12.485 24.038 -34.145 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -14.664 24.792 -33.183 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -14.049 23.374 -32.300 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -13.891 25.000 -31.593 1.00 0.00 H new ATOM 399 N PRO A 27 -12.874 26.667 -34.575 1.00 0.00 N ATOM 400 CA PRO A 27 -13.064 28.113 -34.659 1.00 0.00 C ATOM 401 C PRO A 27 -13.913 28.559 -33.457 1.00 0.00 C ATOM 402 O PRO A 27 -15.097 28.226 -33.350 1.00 0.00 O ATOM 403 CB PRO A 27 -13.742 28.359 -36.012 1.00 0.00 C ATOM 404 CG PRO A 27 -14.500 27.058 -36.278 1.00 0.00 C ATOM 405 CD PRO A 27 -13.591 26.001 -35.652 1.00 0.00 C ATOM 0 HA PRO A 27 -12.140 28.690 -34.613 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -14.416 29.215 -35.973 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -13.012 28.564 -36.795 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -15.488 27.065 -35.818 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -14.646 26.886 -37.344 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -14.174 25.163 -35.271 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -12.898 25.598 -36.390 1.00 0.00 H new ATOM 413 N ARG A 28 -13.267 29.228 -32.496 1.00 0.00 N ATOM 414 CA ARG A 28 -13.803 29.466 -31.143 1.00 0.00 C ATOM 415 C ARG A 28 -13.497 30.855 -30.566 1.00 0.00 C ATOM 416 O ARG A 28 -12.659 31.591 -31.082 1.00 0.00 O ATOM 417 CB ARG A 28 -13.357 28.312 -30.217 1.00 0.00 C ATOM 418 CG ARG A 28 -11.872 28.336 -29.813 1.00 0.00 C ATOM 419 CD ARG A 28 -11.490 27.012 -29.137 1.00 0.00 C ATOM 420 NE ARG A 28 -10.162 27.075 -28.500 1.00 0.00 N ATOM 421 CZ ARG A 28 -9.683 26.225 -27.612 1.00 0.00 C ATOM 422 NH1 ARG A 28 -10.240 25.088 -27.329 1.00 0.00 N ATOM 423 NH2 ARG A 28 -8.611 26.520 -26.954 1.00 0.00 N ATOM 0 H ARG A 28 -12.339 29.628 -32.635 1.00 0.00 H new ATOM 0 HA ARG A 28 -14.891 29.470 -31.217 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -13.964 28.338 -29.312 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -13.567 27.365 -30.715 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -11.250 28.497 -30.693 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -11.685 29.168 -29.134 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -12.239 26.760 -28.387 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -11.498 26.212 -29.878 1.00 0.00 H new ATOM 0 HE ARG A 28 -9.556 27.849 -28.772 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -11.098 24.808 -27.804 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -9.820 24.474 -26.631 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -8.138 27.408 -27.122 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -8.238 25.865 -26.267 1.00 0.00 H new ATOM 437 N GLN A 29 -14.208 31.189 -29.490 1.00 0.00 N ATOM 438 CA GLN A 29 -14.182 32.445 -28.734 1.00 0.00 C ATOM 439 C GLN A 29 -14.120 32.115 -27.238 1.00 0.00 C ATOM 440 O GLN A 29 -15.084 31.613 -26.666 1.00 0.00 O ATOM 441 CB GLN A 29 -15.452 33.278 -28.998 1.00 0.00 C ATOM 442 CG GLN A 29 -15.761 33.568 -30.477 1.00 0.00 C ATOM 443 CD GLN A 29 -17.131 33.037 -30.882 1.00 0.00 C ATOM 444 OE1 GLN A 29 -17.975 33.744 -31.413 1.00 0.00 O ATOM 445 NE2 GLN A 29 -17.381 31.769 -30.641 1.00 0.00 N ATOM 0 H GLN A 29 -14.876 30.531 -29.088 1.00 0.00 H new ATOM 0 HA GLN A 29 -13.312 33.022 -29.048 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -16.304 32.756 -28.563 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -15.358 34.228 -28.472 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -15.721 34.643 -30.653 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -14.995 33.113 -31.105 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -16.672 31.185 -30.198 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -18.284 31.369 -30.897 1.00 0.00 H new ATOM 454 N ILE A 30 -12.997 32.383 -26.587 1.00 0.00 N ATOM 455 CA ILE A 30 -12.840 32.170 -25.140 1.00 0.00 C ATOM 456 C ILE A 30 -13.256 33.449 -24.395 1.00 0.00 C ATOM 457 O ILE A 30 -12.481 34.400 -24.303 1.00 0.00 O ATOM 458 CB ILE A 30 -11.398 31.749 -24.769 1.00 0.00 C ATOM 459 CG1 ILE A 30 -10.743 30.729 -25.729 1.00 0.00 C ATOM 460 CG2 ILE A 30 -11.426 31.224 -23.321 1.00 0.00 C ATOM 461 CD1 ILE A 30 -11.513 29.424 -25.925 1.00 0.00 C ATOM 0 H ILE A 30 -12.163 32.755 -27.041 1.00 0.00 H new ATOM 0 HA ILE A 30 -13.488 31.347 -24.837 1.00 0.00 H new ATOM 0 HB ILE A 30 -10.762 32.629 -24.865 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -10.612 31.203 -26.702 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -9.748 30.491 -25.354 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -10.423 30.917 -23.026 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -11.775 32.013 -22.655 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -12.100 30.370 -23.257 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -10.968 28.780 -26.615 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -11.621 28.918 -24.966 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -12.500 29.642 -26.334 1.00 0.00 H new ATOM 473 N ALA A 31 -14.465 33.483 -23.835 1.00 0.00 N ATOM 474 CA ALA A 31 -14.968 34.633 -23.082 1.00 0.00 C ATOM 475 C ALA A 31 -14.777 34.448 -21.574 1.00 0.00 C ATOM 476 O ALA A 31 -15.004 33.368 -21.031 1.00 0.00 O ATOM 477 CB ALA A 31 -16.429 34.888 -23.445 1.00 0.00 C ATOM 0 H ALA A 31 -15.127 32.709 -23.891 1.00 0.00 H new ATOM 0 HA ALA A 31 -14.387 35.513 -23.359 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -16.800 35.745 -22.882 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -16.508 35.093 -24.513 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -17.024 34.008 -23.200 1.00 0.00 H new ATOM 483 N ARG A 32 -14.386 35.516 -20.880 1.00 0.00 N ATOM 484 CA ARG A 32 -14.272 35.537 -19.413 1.00 0.00 C ATOM 485 C ARG A 32 -15.569 36.014 -18.764 1.00 0.00 C ATOM 486 O ARG A 32 -16.282 36.846 -19.330 1.00 0.00 O ATOM 487 CB ARG A 32 -13.057 36.379 -18.981 1.00 0.00 C ATOM 488 CG ARG A 32 -11.795 35.523 -18.839 1.00 0.00 C ATOM 489 CD ARG A 32 -10.521 36.375 -18.828 1.00 0.00 C ATOM 490 NE ARG A 32 -10.360 37.185 -17.602 1.00 0.00 N ATOM 491 CZ ARG A 32 -9.253 37.783 -17.199 1.00 0.00 C ATOM 492 NH1 ARG A 32 -8.119 37.698 -17.836 1.00 0.00 N ATOM 493 NH2 ARG A 32 -9.266 38.509 -16.124 1.00 0.00 N ATOM 0 H ARG A 32 -14.136 36.402 -21.320 1.00 0.00 H new ATOM 0 HA ARG A 32 -14.106 34.519 -19.062 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -12.882 37.167 -19.713 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -13.273 36.869 -18.032 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -11.852 34.944 -17.917 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -11.747 34.809 -19.661 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -9.656 35.721 -18.937 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -10.530 37.038 -19.693 1.00 0.00 H new ATOM 0 HE ARG A 32 -11.183 37.293 -17.010 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -8.055 37.148 -18.693 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -7.295 38.182 -17.478 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -10.130 38.617 -15.592 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -8.413 38.972 -15.811 1.00 0.00 H new ATOM 507 N TYR A 33 -15.830 35.532 -17.549 1.00 0.00 N ATOM 508 CA TYR A 33 -16.944 35.969 -16.707 1.00 0.00 C ATOM 509 C TYR A 33 -16.536 36.041 -15.228 1.00 0.00 C ATOM 510 O TYR A 33 -15.799 35.183 -14.739 1.00 0.00 O ATOM 511 CB TYR A 33 -18.146 35.031 -16.857 1.00 0.00 C ATOM 512 CG TYR A 33 -18.756 34.937 -18.234 1.00 0.00 C ATOM 513 CD1 TYR A 33 -18.162 34.140 -19.228 1.00 0.00 C ATOM 514 CD2 TYR A 33 -19.952 35.620 -18.503 1.00 0.00 C ATOM 515 CE1 TYR A 33 -18.778 34.015 -20.486 1.00 0.00 C ATOM 516 CE2 TYR A 33 -20.564 35.511 -19.759 1.00 0.00 C ATOM 517 CZ TYR A 33 -20.000 34.675 -20.739 1.00 0.00 C ATOM 518 OH TYR A 33 -20.673 34.470 -21.897 1.00 0.00 O ATOM 0 H TYR A 33 -15.259 34.809 -17.112 1.00 0.00 H new ATOM 0 HA TYR A 33 -17.224 36.968 -17.042 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -17.839 34.031 -16.550 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -18.921 35.354 -16.162 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -17.235 33.625 -19.026 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -20.404 36.233 -17.737 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -18.317 33.415 -21.257 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -21.465 36.067 -19.973 1.00 0.00 H new ATOM 0 HH TYR A 33 -21.352 35.167 -22.008 1.00 0.00 H new ATOM 528 N ARG A 34 -17.042 37.052 -14.512 1.00 0.00 N ATOM 529 CA ARG A 34 -16.763 37.331 -13.095 1.00 0.00 C ATOM 530 C ARG A 34 -17.979 37.040 -12.218 1.00 0.00 C ATOM 531 O ARG A 34 -19.060 37.569 -12.471 1.00 0.00 O ATOM 532 CB ARG A 34 -16.276 38.783 -12.948 1.00 0.00 C ATOM 533 CG ARG A 34 -15.652 39.005 -11.562 1.00 0.00 C ATOM 534 CD ARG A 34 -14.784 40.270 -11.514 1.00 0.00 C ATOM 535 NE ARG A 34 -13.770 40.162 -10.449 1.00 0.00 N ATOM 536 CZ ARG A 34 -13.050 41.126 -9.910 1.00 0.00 C ATOM 537 NH1 ARG A 34 -13.190 42.378 -10.247 1.00 0.00 N ATOM 538 NH2 ARG A 34 -12.167 40.833 -9.000 1.00 0.00 N ATOM 0 H ARG A 34 -17.686 37.729 -14.921 1.00 0.00 H new ATOM 0 HA ARG A 34 -15.972 36.665 -12.748 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -15.543 39.007 -13.723 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -17.111 39.469 -13.091 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -16.444 39.081 -10.817 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -15.045 38.140 -11.295 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -14.294 40.419 -12.476 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -15.413 41.143 -11.338 1.00 0.00 H new ATOM 0 HE ARG A 34 -13.605 39.224 -10.084 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -13.877 42.642 -10.953 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -12.612 43.093 -9.805 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -12.036 39.864 -8.709 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -11.605 41.572 -8.578 1.00 0.00 H new ATOM 552 N THR A 35 -17.798 36.201 -11.204 1.00 0.00 N ATOM 553 CA THR A 35 -18.853 35.758 -10.275 1.00 0.00 C ATOM 554 C THR A 35 -19.143 36.812 -9.206 1.00 0.00 C ATOM 555 O THR A 35 -18.469 37.840 -9.111 1.00 0.00 O ATOM 556 CB THR A 35 -18.510 34.442 -9.570 1.00 0.00 C ATOM 557 OG1 THR A 35 -17.379 34.616 -8.771 1.00 0.00 O ATOM 558 CG2 THR A 35 -18.270 33.290 -10.525 1.00 0.00 C ATOM 0 H THR A 35 -16.888 35.793 -10.992 1.00 0.00 H new ATOM 0 HA THR A 35 -19.735 35.604 -10.897 1.00 0.00 H new ATOM 0 HB THR A 35 -19.379 34.181 -8.966 1.00 0.00 H new ATOM 0 HG1 THR A 35 -16.602 34.801 -9.339 1.00 0.00 H new ATOM 0 HG21 THR A 35 -18.032 32.390 -9.957 1.00 0.00 H new ATOM 0 HG22 THR A 35 -19.167 33.117 -11.120 1.00 0.00 H new ATOM 0 HG23 THR A 35 -17.438 33.533 -11.186 1.00 0.00 H new ATOM 566 N ASP A 36 -20.115 36.531 -8.339 1.00 0.00 N ATOM 567 CA ASP A 36 -20.529 37.456 -7.289 1.00 0.00 C ATOM 568 C ASP A 36 -19.514 37.591 -6.136 1.00 0.00 C ATOM 569 O ASP A 36 -19.560 38.586 -5.408 1.00 0.00 O ATOM 570 CB ASP A 36 -21.925 37.051 -6.792 1.00 0.00 C ATOM 571 CG ASP A 36 -22.559 38.111 -5.874 1.00 0.00 C ATOM 572 OD1 ASP A 36 -22.854 39.232 -6.354 1.00 0.00 O ATOM 573 OD2 ASP A 36 -22.804 37.815 -4.678 1.00 0.00 O ATOM 0 H ASP A 36 -20.637 35.655 -8.346 1.00 0.00 H new ATOM 0 HA ASP A 36 -20.570 38.455 -7.723 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -22.577 36.882 -7.649 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -21.855 36.106 -6.254 1.00 0.00 H new ATOM 578 N ASN A 37 -18.548 36.665 -6.001 1.00 0.00 N ATOM 579 CA ASN A 37 -17.440 36.836 -5.045 1.00 0.00 C ATOM 580 C ASN A 37 -16.213 37.545 -5.672 1.00 0.00 C ATOM 581 O ASN A 37 -15.169 37.668 -5.028 1.00 0.00 O ATOM 582 CB ASN A 37 -17.044 35.508 -4.387 1.00 0.00 C ATOM 583 CG ASN A 37 -18.166 34.542 -4.057 1.00 0.00 C ATOM 584 OD1 ASN A 37 -19.249 34.894 -3.610 1.00 0.00 O ATOM 585 ND2 ASN A 37 -17.906 33.272 -4.249 1.00 0.00 N ATOM 0 H ASN A 37 -18.512 35.798 -6.537 1.00 0.00 H new ATOM 0 HA ASN A 37 -17.814 37.494 -4.261 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -16.342 34.999 -5.047 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -16.509 35.733 -3.465 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -18.609 32.568 -4.025 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -17.000 32.988 -4.622 1.00 0.00 H new ATOM 592 N GLY A 38 -16.307 37.962 -6.943 1.00 0.00 N ATOM 593 CA GLY A 38 -15.187 38.442 -7.762 1.00 0.00 C ATOM 594 C GLY A 38 -14.370 37.345 -8.440 1.00 0.00 C ATOM 595 O GLY A 38 -13.358 37.658 -9.068 1.00 0.00 O ATOM 0 H GLY A 38 -17.195 37.974 -7.445 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -15.577 39.111 -8.529 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -14.522 39.033 -7.132 1.00 0.00 H new ATOM 599 N GLU A 39 -14.775 36.080 -8.323 1.00 0.00 N ATOM 600 CA GLU A 39 -14.038 34.939 -8.885 1.00 0.00 C ATOM 601 C GLU A 39 -14.215 34.923 -10.407 1.00 0.00 C ATOM 602 O GLU A 39 -15.341 34.833 -10.893 1.00 0.00 O ATOM 603 CB GLU A 39 -14.476 33.590 -8.272 1.00 0.00 C ATOM 604 CG GLU A 39 -14.839 33.678 -6.783 1.00 0.00 C ATOM 605 CD GLU A 39 -14.595 32.411 -5.946 1.00 0.00 C ATOM 606 OE1 GLU A 39 -13.605 31.671 -6.169 1.00 0.00 O ATOM 607 OE2 GLU A 39 -15.393 32.192 -5.000 1.00 0.00 O ATOM 0 H GLU A 39 -15.629 35.813 -7.833 1.00 0.00 H new ATOM 0 HA GLU A 39 -12.985 35.065 -8.634 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -15.336 33.212 -8.825 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -13.672 32.865 -8.399 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -14.270 34.495 -6.340 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -15.893 33.943 -6.703 1.00 0.00 H new ATOM 614 N GLU A 40 -13.131 35.016 -11.169 1.00 0.00 N ATOM 615 CA GLU A 40 -13.186 35.053 -12.639 1.00 0.00 C ATOM 616 C GLU A 40 -12.810 33.702 -13.260 1.00 0.00 C ATOM 617 O GLU A 40 -11.795 33.091 -12.913 1.00 0.00 O ATOM 618 CB GLU A 40 -12.236 36.120 -13.197 1.00 0.00 C ATOM 619 CG GLU A 40 -12.758 37.535 -12.962 1.00 0.00 C ATOM 620 CD GLU A 40 -11.841 38.570 -13.633 1.00 0.00 C ATOM 621 OE1 GLU A 40 -11.700 38.532 -14.878 1.00 0.00 O ATOM 622 OE2 GLU A 40 -11.236 39.409 -12.923 1.00 0.00 O ATOM 0 H GLU A 40 -12.185 35.068 -10.792 1.00 0.00 H new ATOM 0 HA GLU A 40 -14.216 35.293 -12.902 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -11.257 36.013 -12.729 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -12.098 35.958 -14.266 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -13.769 37.626 -13.359 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -12.817 37.733 -11.892 1.00 0.00 H new ATOM 629 N PHE A 41 -13.635 33.266 -14.216 1.00 0.00 N ATOM 630 CA PHE A 41 -13.478 32.033 -14.988 1.00 0.00 C ATOM 631 C PHE A 41 -13.553 32.297 -16.494 1.00 0.00 C ATOM 632 O PHE A 41 -14.069 33.320 -16.945 1.00 0.00 O ATOM 633 CB PHE A 41 -14.553 31.017 -14.580 1.00 0.00 C ATOM 634 CG PHE A 41 -14.443 30.532 -13.147 1.00 0.00 C ATOM 635 CD1 PHE A 41 -14.951 31.298 -12.076 1.00 0.00 C ATOM 636 CD2 PHE A 41 -13.799 29.308 -12.882 1.00 0.00 C ATOM 637 CE1 PHE A 41 -14.768 30.853 -10.761 1.00 0.00 C ATOM 638 CE2 PHE A 41 -13.612 28.871 -11.560 1.00 0.00 C ATOM 639 CZ PHE A 41 -14.084 29.653 -10.496 1.00 0.00 C ATOM 0 H PHE A 41 -14.469 33.788 -14.484 1.00 0.00 H new ATOM 0 HA PHE A 41 -12.491 31.626 -14.769 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -15.535 31.467 -14.724 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -14.495 30.157 -15.247 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -15.477 32.221 -12.269 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -13.446 28.700 -13.702 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -15.157 31.438 -9.941 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -13.107 27.937 -11.364 1.00 0.00 H new ATOM 0 HZ PHE A 41 -13.923 29.335 -9.477 1.00 0.00 H new ATOM 649 N GLU A 42 -13.059 31.340 -17.272 1.00 0.00 N ATOM 650 CA GLU A 42 -13.046 31.355 -18.734 1.00 0.00 C ATOM 651 C GLU A 42 -14.002 30.300 -19.314 1.00 0.00 C ATOM 652 O GLU A 42 -13.997 29.138 -18.897 1.00 0.00 O ATOM 653 CB GLU A 42 -11.623 31.141 -19.280 1.00 0.00 C ATOM 654 CG GLU A 42 -10.550 32.045 -18.653 1.00 0.00 C ATOM 655 CD GLU A 42 -9.686 31.374 -17.562 1.00 0.00 C ATOM 656 OE1 GLU A 42 -10.183 30.520 -16.789 1.00 0.00 O ATOM 657 OE2 GLU A 42 -8.486 31.734 -17.472 1.00 0.00 O ATOM 0 H GLU A 42 -12.638 30.495 -16.886 1.00 0.00 H new ATOM 0 HA GLU A 42 -13.392 32.339 -19.050 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -11.340 30.101 -19.120 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -11.633 31.307 -20.357 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -9.893 32.406 -19.444 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -11.039 32.918 -18.222 1.00 0.00 H new ATOM 664 N VAL A 43 -14.803 30.703 -20.301 1.00 0.00 N ATOM 665 CA VAL A 43 -15.806 29.879 -20.995 1.00 0.00 C ATOM 666 C VAL A 43 -15.545 29.881 -22.514 1.00 0.00 C ATOM 667 O VAL A 43 -15.752 30.905 -23.171 1.00 0.00 O ATOM 668 CB VAL A 43 -17.236 30.372 -20.695 1.00 0.00 C ATOM 669 CG1 VAL A 43 -18.273 29.422 -21.306 1.00 0.00 C ATOM 670 CG2 VAL A 43 -17.523 30.499 -19.193 1.00 0.00 C ATOM 0 H VAL A 43 -14.772 31.658 -20.659 1.00 0.00 H new ATOM 0 HA VAL A 43 -15.717 28.858 -20.625 1.00 0.00 H new ATOM 0 HB VAL A 43 -17.310 31.364 -21.142 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -19.276 29.787 -21.084 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -18.134 29.378 -22.386 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -18.147 28.425 -20.883 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -18.544 30.850 -19.046 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -17.401 29.527 -18.716 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -16.827 31.211 -18.749 1.00 0.00 H new ATOM 680 N PRO A 44 -15.101 28.755 -23.103 1.00 0.00 N ATOM 681 CA PRO A 44 -15.002 28.579 -24.548 1.00 0.00 C ATOM 682 C PRO A 44 -16.378 28.480 -25.225 1.00 0.00 C ATOM 683 O PRO A 44 -17.226 27.670 -24.841 1.00 0.00 O ATOM 684 CB PRO A 44 -14.177 27.305 -24.769 1.00 0.00 C ATOM 685 CG PRO A 44 -13.479 27.056 -23.434 1.00 0.00 C ATOM 686 CD PRO A 44 -14.452 27.650 -22.423 1.00 0.00 C ATOM 0 HA PRO A 44 -14.525 29.447 -25.003 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -14.814 26.464 -25.045 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -13.455 27.436 -25.575 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -13.312 25.993 -23.258 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -12.505 27.543 -23.391 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -15.181 26.907 -22.099 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -13.928 27.993 -21.531 1.00 0.00 H new ATOM 694 N PHE A 45 -16.563 29.272 -26.277 1.00 0.00 N ATOM 695 CA PHE A 45 -17.710 29.247 -27.199 1.00 0.00 C ATOM 696 C PHE A 45 -17.267 28.917 -28.626 1.00 0.00 C ATOM 697 O PHE A 45 -16.257 29.430 -29.095 1.00 0.00 O ATOM 698 CB PHE A 45 -18.421 30.605 -27.190 1.00 0.00 C ATOM 699 CG PHE A 45 -19.266 30.853 -25.958 1.00 0.00 C ATOM 700 CD1 PHE A 45 -18.667 31.375 -24.798 1.00 0.00 C ATOM 701 CD2 PHE A 45 -20.647 30.571 -25.963 1.00 0.00 C ATOM 702 CE1 PHE A 45 -19.440 31.615 -23.652 1.00 0.00 C ATOM 703 CE2 PHE A 45 -21.419 30.804 -24.809 1.00 0.00 C ATOM 704 CZ PHE A 45 -20.811 31.321 -23.650 1.00 0.00 C ATOM 0 H PHE A 45 -15.884 29.990 -26.529 1.00 0.00 H new ATOM 0 HA PHE A 45 -18.394 28.470 -26.859 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -17.674 31.395 -27.270 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -19.056 30.676 -28.073 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -17.609 31.592 -24.789 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -21.114 30.176 -26.853 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -18.977 32.028 -22.768 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -22.477 30.586 -24.813 1.00 0.00 H new ATOM 0 HZ PHE A 45 -21.399 31.491 -22.760 1.00 0.00 H new ATOM 714 N ALA A 46 -18.051 28.134 -29.361 1.00 0.00 N ATOM 715 CA ALA A 46 -17.803 27.832 -30.775 1.00 0.00 C ATOM 716 C ALA A 46 -18.353 28.943 -31.686 1.00 0.00 C ATOM 717 O ALA A 46 -19.246 29.690 -31.287 1.00 0.00 O ATOM 718 CB ALA A 46 -18.411 26.463 -31.101 1.00 0.00 C ATOM 0 H ALA A 46 -18.888 27.684 -28.991 1.00 0.00 H new ATOM 0 HA ALA A 46 -16.730 27.791 -30.960 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -18.233 26.227 -32.150 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -17.949 25.701 -30.474 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -19.484 26.487 -30.911 1.00 0.00 H new ATOM 724 N ASP A 47 -17.864 29.046 -32.923 1.00 0.00 N ATOM 725 CA ASP A 47 -18.310 30.035 -33.925 1.00 0.00 C ATOM 726 C ASP A 47 -19.811 29.919 -34.286 1.00 0.00 C ATOM 727 O ASP A 47 -20.423 30.876 -34.762 1.00 0.00 O ATOM 728 CB ASP A 47 -17.423 29.886 -35.169 1.00 0.00 C ATOM 729 CG ASP A 47 -17.740 30.922 -36.261 1.00 0.00 C ATOM 730 OD1 ASP A 47 -17.430 32.122 -36.066 1.00 0.00 O ATOM 731 OD2 ASP A 47 -18.257 30.534 -37.337 1.00 0.00 O ATOM 0 H ASP A 47 -17.128 28.432 -33.272 1.00 0.00 H new ATOM 0 HA ASP A 47 -18.204 31.030 -33.493 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -16.377 29.983 -34.877 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -17.548 28.884 -35.579 1.00 0.00 H new ATOM 736 N ASP A 48 -20.427 28.762 -34.016 1.00 0.00 N ATOM 737 CA ASP A 48 -21.877 28.531 -34.136 1.00 0.00 C ATOM 738 C ASP A 48 -22.704 29.241 -33.035 1.00 0.00 C ATOM 739 O ASP A 48 -23.926 29.362 -33.148 1.00 0.00 O ATOM 740 CB ASP A 48 -22.111 27.015 -34.116 1.00 0.00 C ATOM 741 CG ASP A 48 -23.560 26.624 -34.460 1.00 0.00 C ATOM 742 OD1 ASP A 48 -24.004 26.885 -35.604 1.00 0.00 O ATOM 743 OD2 ASP A 48 -24.244 26.012 -33.604 1.00 0.00 O ATOM 0 H ASP A 48 -19.919 27.936 -33.699 1.00 0.00 H new ATOM 0 HA ASP A 48 -22.224 28.965 -35.074 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -21.434 26.539 -34.826 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -21.861 26.628 -33.128 1.00 0.00 H new ATOM 748 N ALA A 49 -22.040 29.732 -31.982 1.00 0.00 N ATOM 749 CA ALA A 49 -22.609 30.457 -30.843 1.00 0.00 C ATOM 750 C ALA A 49 -22.043 31.889 -30.716 1.00 0.00 C ATOM 751 O ALA A 49 -20.983 32.213 -31.254 1.00 0.00 O ATOM 752 CB ALA A 49 -22.344 29.636 -29.573 1.00 0.00 C ATOM 0 H ALA A 49 -21.029 29.626 -31.899 1.00 0.00 H new ATOM 0 HA ALA A 49 -23.682 30.576 -30.996 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -22.759 30.157 -28.710 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -22.815 28.657 -29.668 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -21.270 29.510 -29.439 1.00 0.00 H new ATOM 758 N GLU A 50 -22.736 32.746 -29.958 1.00 0.00 N ATOM 759 CA GLU A 50 -22.285 34.096 -29.587 1.00 0.00 C ATOM 760 C GLU A 50 -22.457 34.341 -28.082 1.00 0.00 C ATOM 761 O GLU A 50 -23.465 33.950 -27.492 1.00 0.00 O ATOM 762 CB GLU A 50 -23.038 35.176 -30.383 1.00 0.00 C ATOM 763 CG GLU A 50 -22.548 35.267 -31.831 1.00 0.00 C ATOM 764 CD GLU A 50 -23.363 36.304 -32.627 1.00 0.00 C ATOM 765 OE1 GLU A 50 -22.985 37.503 -32.637 1.00 0.00 O ATOM 766 OE2 GLU A 50 -24.386 35.934 -33.254 1.00 0.00 O ATOM 0 H GLU A 50 -23.652 32.515 -29.574 1.00 0.00 H new ATOM 0 HA GLU A 50 -21.225 34.162 -29.833 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -24.105 34.955 -30.375 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -22.909 36.142 -29.895 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -21.493 35.540 -31.845 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -22.631 34.291 -32.308 1.00 0.00 H new ATOM 773 N ILE A 51 -21.465 35.008 -27.485 1.00 0.00 N ATOM 774 CA ILE A 51 -21.299 35.289 -26.050 1.00 0.00 C ATOM 775 C ILE A 51 -22.523 36.028 -25.479 1.00 0.00 C ATOM 776 O ILE A 51 -22.746 37.203 -25.801 1.00 0.00 O ATOM 777 CB ILE A 51 -20.020 36.117 -25.772 1.00 0.00 C ATOM 778 CG1 ILE A 51 -18.797 35.684 -26.613 1.00 0.00 C ATOM 779 CG2 ILE A 51 -19.665 36.090 -24.273 1.00 0.00 C ATOM 780 CD1 ILE A 51 -18.352 34.228 -26.451 1.00 0.00 C ATOM 0 H ILE A 51 -20.696 35.397 -28.032 1.00 0.00 H new ATOM 0 HA ILE A 51 -21.203 34.324 -25.552 1.00 0.00 H new ATOM 0 HB ILE A 51 -20.259 37.136 -26.077 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -19.024 35.859 -27.665 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -17.958 36.330 -26.357 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -18.763 36.678 -24.102 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -20.488 36.512 -23.696 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -19.492 35.061 -23.959 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -17.488 34.039 -27.088 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -18.084 34.043 -25.411 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -19.167 33.564 -26.739 1.00 0.00 H new ATOM 792 N PRO A 52 -23.322 35.366 -24.633 1.00 0.00 N ATOM 793 CA PRO A 52 -24.377 36.009 -23.867 1.00 0.00 C ATOM 794 C PRO A 52 -23.776 36.885 -22.755 1.00 0.00 C ATOM 795 O PRO A 52 -22.712 36.579 -22.210 1.00 0.00 O ATOM 796 CB PRO A 52 -25.223 34.857 -23.326 1.00 0.00 C ATOM 797 CG PRO A 52 -24.231 33.704 -23.190 1.00 0.00 C ATOM 798 CD PRO A 52 -23.195 33.965 -24.277 1.00 0.00 C ATOM 0 HA PRO A 52 -24.987 36.688 -24.463 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -25.675 35.110 -22.367 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -26.037 34.606 -24.006 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -23.774 33.688 -22.201 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -24.720 32.740 -23.331 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -22.190 33.745 -23.917 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -23.371 33.326 -25.143 1.00 0.00 H new ATOM 806 N GLY A 53 -24.478 37.967 -22.403 1.00 0.00 N ATOM 807 CA GLY A 53 -24.081 38.948 -21.378 1.00 0.00 C ATOM 808 C GLY A 53 -23.664 38.350 -20.025 1.00 0.00 C ATOM 809 O GLY A 53 -22.814 38.918 -19.334 1.00 0.00 O ATOM 0 H GLY A 53 -25.372 38.195 -22.838 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -23.252 39.540 -21.766 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -24.912 39.634 -21.213 1.00 0.00 H new ATOM 813 N THR A 54 -24.224 37.196 -19.648 1.00 0.00 N ATOM 814 CA THR A 54 -23.780 36.417 -18.487 1.00 0.00 C ATOM 815 C THR A 54 -23.785 34.902 -18.763 1.00 0.00 C ATOM 816 O THR A 54 -24.456 34.432 -19.688 1.00 0.00 O ATOM 817 CB THR A 54 -24.687 36.671 -17.264 1.00 0.00 C ATOM 818 OG1 THR A 54 -26.026 36.304 -17.535 1.00 0.00 O ATOM 819 CG2 THR A 54 -24.774 38.133 -16.835 1.00 0.00 C ATOM 0 H THR A 54 -25.007 36.772 -20.146 1.00 0.00 H new ATOM 0 HA THR A 54 -22.761 36.746 -18.284 1.00 0.00 H new ATOM 0 HB THR A 54 -24.222 36.074 -16.479 1.00 0.00 H new ATOM 0 HG1 THR A 54 -26.578 36.474 -16.743 1.00 0.00 H new ATOM 0 HG21 THR A 54 -25.431 38.220 -15.970 1.00 0.00 H new ATOM 0 HG22 THR A 54 -23.780 38.495 -16.573 1.00 0.00 H new ATOM 0 HG23 THR A 54 -25.173 38.730 -17.655 1.00 0.00 H new ATOM 827 N TRP A 55 -23.038 34.131 -17.965 1.00 0.00 N ATOM 828 CA TRP A 55 -22.899 32.670 -18.074 1.00 0.00 C ATOM 829 C TRP A 55 -22.488 32.038 -16.731 1.00 0.00 C ATOM 830 O TRP A 55 -21.781 32.658 -15.937 1.00 0.00 O ATOM 831 CB TRP A 55 -21.865 32.332 -19.155 1.00 0.00 C ATOM 832 CG TRP A 55 -21.819 30.894 -19.563 1.00 0.00 C ATOM 833 CD1 TRP A 55 -21.009 29.958 -19.032 1.00 0.00 C ATOM 834 CD2 TRP A 55 -22.596 30.202 -20.586 1.00 0.00 C ATOM 835 NE1 TRP A 55 -21.196 28.750 -19.670 1.00 0.00 N ATOM 836 CE2 TRP A 55 -22.176 28.838 -20.636 1.00 0.00 C ATOM 837 CE3 TRP A 55 -23.601 30.598 -21.490 1.00 0.00 C ATOM 838 CZ2 TRP A 55 -22.728 27.915 -21.537 1.00 0.00 C ATOM 839 CZ3 TRP A 55 -24.169 29.680 -22.397 1.00 0.00 C ATOM 840 CH2 TRP A 55 -23.734 28.341 -22.422 1.00 0.00 C ATOM 0 H TRP A 55 -22.492 34.520 -17.196 1.00 0.00 H new ATOM 0 HA TRP A 55 -23.869 32.255 -18.350 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -22.074 32.937 -20.037 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -20.878 32.623 -18.795 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -20.314 30.129 -18.223 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -20.676 27.900 -19.455 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -23.942 31.623 -21.488 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -22.385 26.891 -21.551 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -24.942 30.006 -23.077 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -24.172 27.643 -23.120 1.00 0.00 H new ATOM 851 N LEU A 56 -22.920 30.805 -16.449 1.00 0.00 N ATOM 852 CA LEU A 56 -22.590 30.100 -15.205 1.00 0.00 C ATOM 853 C LEU A 56 -21.103 29.690 -15.156 1.00 0.00 C ATOM 854 O LEU A 56 -20.605 28.992 -16.042 1.00 0.00 O ATOM 855 CB LEU A 56 -23.528 28.889 -15.036 1.00 0.00 C ATOM 856 CG LEU A 56 -24.164 28.783 -13.641 1.00 0.00 C ATOM 857 CD1 LEU A 56 -25.244 27.703 -13.638 1.00 0.00 C ATOM 858 CD2 LEU A 56 -23.141 28.417 -12.570 1.00 0.00 C ATOM 0 H LEU A 56 -23.512 30.265 -17.080 1.00 0.00 H new ATOM 0 HA LEU A 56 -22.744 30.778 -14.366 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -24.320 28.949 -15.782 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -22.967 27.977 -15.239 1.00 0.00 H new ATOM 0 HG LEU A 56 -24.585 29.762 -13.414 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -25.689 27.636 -12.645 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -26.016 27.958 -14.364 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -24.800 26.743 -13.902 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -23.636 28.353 -11.601 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -22.690 27.454 -12.811 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -22.365 29.182 -12.532 1.00 0.00 H new ATOM 870 N CYS A 57 -20.401 30.102 -14.102 1.00 0.00 N ATOM 871 CA CYS A 57 -18.980 29.812 -13.888 1.00 0.00 C ATOM 872 C CYS A 57 -18.760 28.518 -13.090 1.00 0.00 C ATOM 873 O CYS A 57 -19.647 28.050 -12.370 1.00 0.00 O ATOM 874 CB CYS A 57 -18.316 31.004 -13.190 1.00 0.00 C ATOM 875 SG CYS A 57 -18.210 32.408 -14.325 1.00 0.00 S ATOM 0 H CYS A 57 -20.812 30.660 -13.354 1.00 0.00 H new ATOM 0 HA CYS A 57 -18.518 29.655 -14.863 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -18.889 31.283 -12.306 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -17.319 30.726 -12.849 1.00 0.00 H new ATOM 0 HG CYS A 57 -17.648 33.413 -13.721 1.00 0.00 H new ATOM 881 N ARG A 58 -17.537 27.971 -13.147 1.00 0.00 N ATOM 882 CA ARG A 58 -17.176 26.687 -12.508 1.00 0.00 C ATOM 883 C ARG A 58 -17.151 26.730 -10.971 1.00 0.00 C ATOM 884 O ARG A 58 -17.138 25.678 -10.333 1.00 0.00 O ATOM 885 CB ARG A 58 -15.851 26.144 -13.082 1.00 0.00 C ATOM 886 CG ARG A 58 -15.859 26.053 -14.620 1.00 0.00 C ATOM 887 CD ARG A 58 -14.610 25.374 -15.194 1.00 0.00 C ATOM 888 NE ARG A 58 -14.554 23.931 -14.880 1.00 0.00 N ATOM 889 CZ ARG A 58 -13.870 23.013 -15.538 1.00 0.00 C ATOM 890 NH1 ARG A 58 -13.170 23.283 -16.601 1.00 0.00 N ATOM 891 NH2 ARG A 58 -13.852 21.774 -15.147 1.00 0.00 N ATOM 0 H ARG A 58 -16.760 28.408 -13.642 1.00 0.00 H new ATOM 0 HA ARG A 58 -17.980 25.994 -12.757 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -15.032 26.789 -12.765 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -15.658 25.156 -12.665 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -16.743 25.502 -14.940 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -15.942 27.057 -15.036 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -14.593 25.508 -16.276 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -13.720 25.863 -14.798 1.00 0.00 H new ATOM 0 HE ARG A 58 -15.097 23.613 -14.077 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -13.134 24.237 -16.959 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -12.657 22.540 -17.076 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -14.373 21.494 -14.316 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -13.317 21.082 -15.671 1.00 0.00 H new ATOM 905 N ASN A 59 -17.228 27.925 -10.372 1.00 0.00 N ATOM 906 CA ASN A 59 -17.473 28.117 -8.934 1.00 0.00 C ATOM 907 C ASN A 59 -18.909 27.706 -8.509 1.00 0.00 C ATOM 908 O ASN A 59 -19.189 27.495 -7.328 1.00 0.00 O ATOM 909 CB ASN A 59 -17.212 29.604 -8.632 1.00 0.00 C ATOM 910 CG ASN A 59 -17.403 30.048 -7.188 1.00 0.00 C ATOM 911 OD1 ASN A 59 -17.197 29.315 -6.232 1.00 0.00 O ATOM 912 ND2 ASN A 59 -17.741 31.304 -6.993 1.00 0.00 N ATOM 0 H ASN A 59 -17.120 28.802 -10.881 1.00 0.00 H new ATOM 0 HA ASN A 59 -16.808 27.472 -8.360 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -16.189 29.838 -8.928 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -17.871 30.201 -9.262 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -17.831 31.666 -6.044 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -17.913 31.916 -7.791 1.00 0.00 H new ATOM 919 N GLY A 60 -19.827 27.582 -9.473 1.00 0.00 N ATOM 920 CA GLY A 60 -21.258 27.337 -9.253 1.00 0.00 C ATOM 921 C GLY A 60 -22.088 28.622 -9.120 1.00 0.00 C ATOM 922 O GLY A 60 -23.246 28.558 -8.702 1.00 0.00 O ATOM 0 H GLY A 60 -19.587 27.652 -10.462 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -21.649 26.746 -10.082 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -21.381 26.740 -8.350 1.00 0.00 H new ATOM 926 N MET A 61 -21.512 29.782 -9.465 1.00 0.00 N ATOM 927 CA MET A 61 -22.156 31.097 -9.437 1.00 0.00 C ATOM 928 C MET A 61 -22.314 31.671 -10.852 1.00 0.00 C ATOM 929 O MET A 61 -21.463 31.461 -11.719 1.00 0.00 O ATOM 930 CB MET A 61 -21.338 32.019 -8.518 1.00 0.00 C ATOM 931 CG MET A 61 -22.022 33.355 -8.200 1.00 0.00 C ATOM 932 SD MET A 61 -23.689 33.266 -7.486 1.00 0.00 S ATOM 933 CE MET A 61 -23.303 32.611 -5.839 1.00 0.00 C ATOM 0 H MET A 61 -20.544 29.828 -9.784 1.00 0.00 H new ATOM 0 HA MET A 61 -23.167 31.009 -9.038 1.00 0.00 H new ATOM 0 HB2 MET A 61 -21.135 31.496 -7.584 1.00 0.00 H new ATOM 0 HB3 MET A 61 -20.374 32.219 -8.987 1.00 0.00 H new ATOM 0 HG2 MET A 61 -21.385 33.908 -7.510 1.00 0.00 H new ATOM 0 HG3 MET A 61 -22.076 33.937 -9.120 1.00 0.00 H new ATOM 0 HE1 MET A 61 -24.224 32.496 -5.268 1.00 0.00 H new ATOM 0 HE2 MET A 61 -22.814 31.642 -5.938 1.00 0.00 H new ATOM 0 HE3 MET A 61 -22.638 33.301 -5.320 1.00 0.00 H new ATOM 943 N GLU A 62 -23.387 32.422 -11.093 1.00 0.00 N ATOM 944 CA GLU A 62 -23.614 33.139 -12.353 1.00 0.00 C ATOM 945 C GLU A 62 -22.579 34.264 -12.521 1.00 0.00 C ATOM 946 O GLU A 62 -22.584 35.254 -11.784 1.00 0.00 O ATOM 947 CB GLU A 62 -25.060 33.654 -12.409 1.00 0.00 C ATOM 948 CG GLU A 62 -25.401 34.284 -13.767 1.00 0.00 C ATOM 949 CD GLU A 62 -26.888 34.686 -13.820 1.00 0.00 C ATOM 950 OE1 GLU A 62 -27.236 35.811 -13.383 1.00 0.00 O ATOM 951 OE2 GLU A 62 -27.725 33.873 -14.286 1.00 0.00 O ATOM 0 H GLU A 62 -24.135 32.553 -10.412 1.00 0.00 H new ATOM 0 HA GLU A 62 -23.480 32.458 -13.193 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -25.745 32.830 -12.211 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -25.212 34.391 -11.620 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -24.775 35.161 -13.935 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -25.181 33.578 -14.567 1.00 0.00 H new ATOM 958 N GLY A 63 -21.662 34.088 -13.473 1.00 0.00 N ATOM 959 CA GLY A 63 -20.662 35.082 -13.844 1.00 0.00 C ATOM 960 C GLY A 63 -21.182 36.084 -14.876 1.00 0.00 C ATOM 961 O GLY A 63 -21.973 35.733 -15.752 1.00 0.00 O ATOM 0 H GLY A 63 -21.595 33.229 -14.019 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -20.341 35.619 -12.952 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -19.784 34.576 -14.245 1.00 0.00 H new ATOM 965 N THR A 64 -20.693 37.325 -14.823 1.00 0.00 N ATOM 966 CA THR A 64 -20.989 38.367 -15.824 1.00 0.00 C ATOM 967 C THR A 64 -19.789 38.639 -16.723 1.00 0.00 C ATOM 968 O THR A 64 -18.656 38.671 -16.247 1.00 0.00 O ATOM 969 CB THR A 64 -21.444 39.674 -15.157 1.00 0.00 C ATOM 970 OG1 THR A 64 -22.559 39.438 -14.322 1.00 0.00 O ATOM 971 CG2 THR A 64 -21.861 40.753 -16.163 1.00 0.00 C ATOM 0 H THR A 64 -20.073 37.644 -14.078 1.00 0.00 H new ATOM 0 HA THR A 64 -21.804 37.987 -16.440 1.00 0.00 H new ATOM 0 HB THR A 64 -20.581 40.028 -14.594 1.00 0.00 H new ATOM 0 HG1 THR A 64 -22.837 40.279 -13.902 1.00 0.00 H new ATOM 0 HG21 THR A 64 -22.171 41.650 -15.627 1.00 0.00 H new ATOM 0 HG22 THR A 64 -21.018 40.991 -16.811 1.00 0.00 H new ATOM 0 HG23 THR A 64 -22.691 40.386 -16.767 1.00 0.00 H new ATOM 979 N LEU A 65 -20.038 38.812 -18.022 1.00 0.00 N ATOM 980 CA LEU A 65 -19.032 38.959 -19.075 1.00 0.00 C ATOM 981 C LEU A 65 -18.135 40.189 -18.818 1.00 0.00 C ATOM 982 O LEU A 65 -18.629 41.318 -18.740 1.00 0.00 O ATOM 983 CB LEU A 65 -19.810 39.027 -20.407 1.00 0.00 C ATOM 984 CG LEU A 65 -19.047 38.892 -21.740 1.00 0.00 C ATOM 985 CD1 LEU A 65 -20.015 39.246 -22.873 1.00 0.00 C ATOM 986 CD2 LEU A 65 -17.813 39.778 -21.904 1.00 0.00 C ATOM 0 H LEU A 65 -20.990 38.855 -18.385 1.00 0.00 H new ATOM 0 HA LEU A 65 -18.339 38.118 -19.101 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -20.567 38.243 -20.383 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -20.338 39.980 -20.428 1.00 0.00 H new ATOM 0 HG LEU A 65 -18.682 37.865 -21.760 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -19.502 39.159 -23.831 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -20.864 38.563 -22.853 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -20.369 40.269 -22.743 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -17.361 39.595 -22.879 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -18.105 40.826 -21.830 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -17.092 39.546 -21.120 1.00 0.00 H new ATOM 998 N ILE A 66 -16.819 39.970 -18.716 1.00 0.00 N ATOM 999 CA ILE A 66 -15.777 41.009 -18.616 1.00 0.00 C ATOM 1000 C ILE A 66 -14.651 40.775 -19.633 1.00 0.00 C ATOM 1001 O ILE A 66 -14.394 39.647 -20.059 1.00 0.00 O ATOM 1002 CB ILE A 66 -15.197 41.151 -17.183 1.00 0.00 C ATOM 1003 CG1 ILE A 66 -14.286 39.990 -16.710 1.00 0.00 C ATOM 1004 CG2 ILE A 66 -16.296 41.446 -16.147 1.00 0.00 C ATOM 1005 CD1 ILE A 66 -14.877 38.599 -16.788 1.00 0.00 C ATOM 0 H ILE A 66 -16.431 39.027 -18.700 1.00 0.00 H new ATOM 0 HA ILE A 66 -16.270 41.952 -18.853 1.00 0.00 H new ATOM 0 HB ILE A 66 -14.533 42.013 -17.257 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -13.373 40.008 -17.305 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -13.997 40.181 -15.677 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -15.848 41.538 -15.158 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -16.799 42.378 -16.406 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -17.020 40.631 -16.143 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -14.147 37.873 -16.431 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -15.772 38.549 -16.168 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -15.138 38.372 -17.822 1.00 0.00 H new ATOM 1017 N GLU A 67 -13.942 41.840 -19.996 1.00 0.00 N ATOM 1018 CA GLU A 67 -12.676 41.771 -20.733 1.00 0.00 C ATOM 1019 C GLU A 67 -11.471 41.573 -19.790 1.00 0.00 C ATOM 1020 O GLU A 67 -11.493 41.991 -18.628 1.00 0.00 O ATOM 1021 CB GLU A 67 -12.503 42.992 -21.660 1.00 0.00 C ATOM 1022 CG GLU A 67 -12.430 44.371 -20.979 1.00 0.00 C ATOM 1023 CD GLU A 67 -13.818 44.917 -20.583 1.00 0.00 C ATOM 1024 OE1 GLU A 67 -14.301 44.609 -19.465 1.00 0.00 O ATOM 1025 OE2 GLU A 67 -14.434 45.660 -21.385 1.00 0.00 O ATOM 0 H GLU A 67 -14.233 42.794 -19.784 1.00 0.00 H new ATOM 0 HA GLU A 67 -12.713 40.888 -21.371 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -11.592 42.851 -22.242 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -13.334 43.004 -22.366 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -11.806 44.299 -20.089 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -11.945 45.078 -21.652 1.00 0.00 H new ATOM 1032 N GLY A 68 -10.400 40.955 -20.296 1.00 0.00 N ATOM 1033 CA GLY A 68 -9.128 40.826 -19.570 1.00 0.00 C ATOM 1034 C GLY A 68 -7.947 40.314 -20.404 1.00 0.00 C ATOM 1035 O GLY A 68 -6.823 40.783 -20.219 1.00 0.00 O ATOM 0 H GLY A 68 -10.388 40.528 -21.222 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -8.864 41.799 -19.156 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -9.276 40.151 -18.727 1.00 0.00 H new ATOM 1039 N ASP A 69 -8.180 39.397 -21.350 1.00 0.00 N ATOM 1040 CA ASP A 69 -7.207 38.890 -22.308 1.00 0.00 C ATOM 1041 C ASP A 69 -7.904 38.421 -23.604 1.00 0.00 C ATOM 1042 O ASP A 69 -9.133 38.449 -23.728 1.00 0.00 O ATOM 1043 CB ASP A 69 -6.371 37.784 -21.649 1.00 0.00 C ATOM 1044 CG ASP A 69 -7.159 36.513 -21.307 1.00 0.00 C ATOM 1045 OD1 ASP A 69 -7.403 35.688 -22.212 1.00 0.00 O ATOM 1046 OD2 ASP A 69 -7.496 36.290 -20.120 1.00 0.00 O ATOM 0 H ASP A 69 -9.099 38.971 -21.469 1.00 0.00 H new ATOM 0 HA ASP A 69 -6.527 39.690 -22.601 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -5.550 37.520 -22.316 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -5.925 38.178 -20.735 1.00 0.00 H new ATOM 1051 N LEU A 70 -7.093 38.043 -24.588 1.00 0.00 N ATOM 1052 CA LEU A 70 -7.495 37.742 -25.966 1.00 0.00 C ATOM 1053 C LEU A 70 -8.316 36.430 -26.065 1.00 0.00 C ATOM 1054 O LEU A 70 -7.826 35.374 -25.653 1.00 0.00 O ATOM 1055 CB LEU A 70 -6.248 37.678 -26.876 1.00 0.00 C ATOM 1056 CG LEU A 70 -5.788 39.036 -27.443 1.00 0.00 C ATOM 1057 CD1 LEU A 70 -5.272 39.998 -26.371 1.00 0.00 C ATOM 1058 CD2 LEU A 70 -4.666 38.811 -28.458 1.00 0.00 C ATOM 0 H LEU A 70 -6.089 37.932 -24.443 1.00 0.00 H new ATOM 0 HA LEU A 70 -8.147 38.548 -26.305 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -5.426 37.239 -26.311 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -6.457 37.005 -27.708 1.00 0.00 H new ATOM 0 HG LEU A 70 -6.666 39.490 -27.903 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -4.965 40.933 -26.839 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -6.064 40.196 -25.649 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -4.419 39.551 -25.861 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -4.340 39.771 -28.859 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -3.826 38.319 -27.968 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -5.031 38.183 -29.271 1.00 0.00 H new ATOM 1070 N PRO A 71 -9.518 36.449 -26.680 1.00 0.00 N ATOM 1071 CA PRO A 71 -10.447 35.313 -26.725 1.00 0.00 C ATOM 1072 C PRO A 71 -10.112 34.272 -27.819 1.00 0.00 C ATOM 1073 O PRO A 71 -11.020 33.719 -28.439 1.00 0.00 O ATOM 1074 CB PRO A 71 -11.823 35.975 -26.914 1.00 0.00 C ATOM 1075 CG PRO A 71 -11.494 37.144 -27.836 1.00 0.00 C ATOM 1076 CD PRO A 71 -10.170 37.627 -27.249 1.00 0.00 C ATOM 0 HA PRO A 71 -10.396 34.711 -25.818 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -12.545 35.293 -27.363 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -12.247 36.310 -25.967 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -11.393 36.832 -28.875 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -12.262 37.917 -27.809 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -9.547 38.082 -28.019 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -10.338 38.386 -26.485 1.00 0.00 H new ATOM 1084 N GLU A 72 -8.828 34.026 -28.104 1.00 0.00 N ATOM 1085 CA GLU A 72 -8.316 33.440 -29.355 1.00 0.00 C ATOM 1086 C GLU A 72 -8.954 34.075 -30.622 1.00 0.00 C ATOM 1087 O GLU A 72 -9.618 33.389 -31.407 1.00 0.00 O ATOM 1088 CB GLU A 72 -8.416 31.908 -29.284 1.00 0.00 C ATOM 1089 CG GLU A 72 -7.305 31.281 -28.438 1.00 0.00 C ATOM 1090 CD GLU A 72 -7.321 29.746 -28.558 1.00 0.00 C ATOM 1091 OE1 GLU A 72 -8.152 29.089 -27.886 1.00 0.00 O ATOM 1092 OE2 GLU A 72 -6.509 29.184 -29.330 1.00 0.00 O ATOM 0 H GLU A 72 -8.082 34.238 -27.442 1.00 0.00 H new ATOM 0 HA GLU A 72 -7.259 33.685 -29.458 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -9.384 31.630 -28.868 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -8.374 31.498 -30.293 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -6.337 31.665 -28.760 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -7.431 31.569 -27.394 1.00 0.00 H new ATOM 1099 N PRO A 73 -8.795 35.401 -30.824 1.00 0.00 N ATOM 1100 CA PRO A 73 -9.453 36.144 -31.900 1.00 0.00 C ATOM 1101 C PRO A 73 -8.889 35.807 -33.293 1.00 0.00 C ATOM 1102 O PRO A 73 -7.746 35.364 -33.436 1.00 0.00 O ATOM 1103 CB PRO A 73 -9.247 37.622 -31.546 1.00 0.00 C ATOM 1104 CG PRO A 73 -7.898 37.618 -30.831 1.00 0.00 C ATOM 1105 CD PRO A 73 -7.928 36.297 -30.064 1.00 0.00 C ATOM 0 HA PRO A 73 -10.508 35.880 -31.968 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -9.231 38.252 -32.436 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -10.043 37.998 -30.904 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -7.067 37.659 -31.535 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -7.792 38.472 -30.162 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -6.925 35.880 -29.969 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -8.310 36.443 -29.053 1.00 0.00 H new ATOM 1113 N LYS A 74 -9.682 36.076 -34.340 1.00 0.00 N ATOM 1114 CA LYS A 74 -9.286 35.902 -35.754 1.00 0.00 C ATOM 1115 C LYS A 74 -8.476 37.088 -36.304 1.00 0.00 C ATOM 1116 O LYS A 74 -7.588 36.898 -37.137 1.00 0.00 O ATOM 1117 CB LYS A 74 -10.558 35.625 -36.579 1.00 0.00 C ATOM 1118 CG LYS A 74 -10.253 35.220 -38.032 1.00 0.00 C ATOM 1119 CD LYS A 74 -11.510 34.780 -38.802 1.00 0.00 C ATOM 1120 CE LYS A 74 -12.452 35.958 -39.087 1.00 0.00 C ATOM 1121 NZ LYS A 74 -13.640 35.529 -39.872 1.00 0.00 N ATOM 0 H LYS A 74 -10.634 36.427 -34.231 1.00 0.00 H new ATOM 0 HA LYS A 74 -8.607 35.052 -35.830 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -11.131 34.832 -36.099 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -11.186 36.516 -36.580 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -9.790 36.060 -38.550 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -9.528 34.406 -38.033 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -11.215 34.316 -39.743 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -12.041 34.022 -38.226 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -12.777 36.401 -38.146 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -11.913 36.732 -39.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -14.255 36.349 -40.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -13.330 35.129 -40.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -14.167 34.808 -39.338 1.00 0.00 H new ATOM 1135 N LYS A 75 -8.743 38.309 -35.822 1.00 0.00 N ATOM 1136 CA LYS A 75 -8.219 39.590 -36.352 1.00 0.00 C ATOM 1137 C LYS A 75 -6.801 39.945 -35.851 1.00 0.00 C ATOM 1138 O LYS A 75 -6.505 41.098 -35.539 1.00 0.00 O ATOM 1139 CB LYS A 75 -9.280 40.688 -36.123 1.00 0.00 C ATOM 1140 CG LYS A 75 -9.157 41.864 -37.109 1.00 0.00 C ATOM 1141 CD LYS A 75 -10.244 42.917 -36.850 1.00 0.00 C ATOM 1142 CE LYS A 75 -10.100 44.077 -37.843 1.00 0.00 C ATOM 1143 NZ LYS A 75 -11.136 45.119 -37.619 1.00 0.00 N ATOM 0 H LYS A 75 -9.356 38.445 -35.018 1.00 0.00 H new ATOM 0 HA LYS A 75 -8.060 39.491 -37.426 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -10.274 40.249 -36.213 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -9.189 41.065 -35.104 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -8.172 42.322 -37.013 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -9.239 41.496 -38.132 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -11.231 42.464 -36.948 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -10.164 43.290 -35.829 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -9.109 44.521 -37.744 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -10.179 43.697 -38.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -11.009 45.888 -38.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -12.081 44.700 -37.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -11.044 45.498 -36.655 1.00 0.00 H new ATOM 1157 N VAL A 76 -5.922 38.943 -35.761 1.00 0.00 N ATOM 1158 CA VAL A 76 -4.503 39.059 -35.348 1.00 0.00 C ATOM 1159 C VAL A 76 -3.557 38.315 -36.314 1.00 0.00 C ATOM 1160 O VAL A 76 -2.491 37.831 -35.924 1.00 0.00 O ATOM 1161 CB VAL A 76 -4.304 38.631 -33.873 1.00 0.00 C ATOM 1162 CG1 VAL A 76 -5.054 39.556 -32.906 1.00 0.00 C ATOM 1163 CG2 VAL A 76 -4.752 37.190 -33.601 1.00 0.00 C ATOM 0 H VAL A 76 -6.183 37.982 -35.982 1.00 0.00 H new ATOM 0 HA VAL A 76 -4.231 40.113 -35.408 1.00 0.00 H new ATOM 0 HB VAL A 76 -3.230 38.702 -33.702 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -4.889 39.222 -31.882 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -4.686 40.576 -33.019 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -6.120 39.528 -33.129 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -4.587 36.950 -32.551 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -5.812 37.088 -33.835 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -4.176 36.506 -34.224 1.00 0.00 H new ATOM 1173 N LYS A 77 -3.945 38.229 -37.593 1.00 0.00 N ATOM 1174 CA LYS A 77 -3.240 37.518 -38.676 1.00 0.00 C ATOM 1175 C LYS A 77 -3.382 38.277 -40.015 1.00 0.00 C ATOM 1176 O LYS A 77 -4.461 38.832 -40.259 1.00 0.00 O ATOM 1177 CB LYS A 77 -3.816 36.091 -38.765 1.00 0.00 C ATOM 1178 CG LYS A 77 -3.031 35.170 -39.712 1.00 0.00 C ATOM 1179 CD LYS A 77 -3.627 33.753 -39.716 1.00 0.00 C ATOM 1180 CE LYS A 77 -2.915 32.817 -40.706 1.00 0.00 C ATOM 1181 NZ LYS A 77 -1.536 32.467 -40.271 1.00 0.00 N ATOM 0 H LYS A 77 -4.802 38.675 -37.921 1.00 0.00 H new ATOM 0 HA LYS A 77 -2.173 37.464 -38.461 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -3.827 35.650 -37.768 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -4.852 36.146 -39.101 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -3.049 35.579 -40.722 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -1.986 35.129 -39.403 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -3.562 33.332 -38.713 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -4.685 33.808 -39.971 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -3.499 31.904 -40.821 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -2.873 33.294 -41.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -1.101 31.835 -40.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -0.968 33.334 -40.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -1.574 31.987 -39.349 1.00 0.00 H new ATOM 1195 N PRO A 78 -2.355 38.310 -40.893 1.00 0.00 N ATOM 1196 CA PRO A 78 -2.450 38.942 -42.214 1.00 0.00 C ATOM 1197 C PRO A 78 -3.546 38.339 -43.122 1.00 0.00 C ATOM 1198 O PRO A 78 -3.864 37.150 -42.991 1.00 0.00 O ATOM 1199 CB PRO A 78 -1.062 38.786 -42.850 1.00 0.00 C ATOM 1200 CG PRO A 78 -0.132 38.677 -41.645 1.00 0.00 C ATOM 1201 CD PRO A 78 -0.979 37.895 -40.644 1.00 0.00 C ATOM 0 HA PRO A 78 -2.744 39.985 -42.099 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -1.007 37.900 -43.482 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -0.809 39.641 -43.477 1.00 0.00 H new ATOM 0 HG2 PRO A 78 0.792 38.153 -41.891 1.00 0.00 H new ATOM 0 HG3 PRO A 78 0.150 39.657 -41.260 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -0.861 36.821 -40.785 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -0.681 38.117 -39.619 1.00 0.00 H new ATOM 1209 N PRO A 79 -4.112 39.119 -44.065 1.00 0.00 N ATOM 1210 CA PRO A 79 -5.122 38.643 -45.015 1.00 0.00 C ATOM 1211 C PRO A 79 -4.541 37.689 -46.079 1.00 0.00 C ATOM 1212 O PRO A 79 -3.330 37.667 -46.331 1.00 0.00 O ATOM 1213 CB PRO A 79 -5.708 39.913 -45.642 1.00 0.00 C ATOM 1214 CG PRO A 79 -4.532 40.888 -45.610 1.00 0.00 C ATOM 1215 CD PRO A 79 -3.832 40.531 -44.299 1.00 0.00 C ATOM 0 HA PRO A 79 -5.884 38.047 -44.513 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -6.058 39.736 -46.659 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -6.559 40.288 -45.073 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -3.874 40.756 -46.469 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -4.866 41.925 -45.621 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -2.759 40.710 -44.368 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -4.205 41.144 -43.478 1.00 0.00 H new ATOM 1223 N ARG A 80 -5.424 36.914 -46.724 1.00 0.00 N ATOM 1224 CA ARG A 80 -5.096 35.991 -47.831 1.00 0.00 C ATOM 1225 C ARG A 80 -4.824 36.729 -49.150 1.00 0.00 C ATOM 1226 O ARG A 80 -3.840 36.371 -49.836 1.00 0.00 O ATOM 1227 CB ARG A 80 -6.211 34.943 -48.005 1.00 0.00 C ATOM 1228 CG ARG A 80 -6.342 33.996 -46.799 1.00 0.00 C ATOM 1229 CD ARG A 80 -7.421 32.938 -47.057 1.00 0.00 C ATOM 1230 NE ARG A 80 -7.562 32.013 -45.917 1.00 0.00 N ATOM 1231 CZ ARG A 80 -8.388 30.987 -45.835 1.00 0.00 C ATOM 1232 NH1 ARG A 80 -9.205 30.673 -46.802 1.00 0.00 N ATOM 1233 NH2 ARG A 80 -8.412 30.246 -44.767 1.00 0.00 N ATOM 1234 OXT ARG A 80 -5.599 37.650 -49.504 1.00 0.00 O ATOM 0 H ARG A 80 -6.416 36.908 -46.487 1.00 0.00 H new ATOM 0 HA ARG A 80 -4.171 35.480 -47.563 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -7.161 35.454 -48.163 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -6.013 34.355 -48.901 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -5.386 33.509 -46.607 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -6.593 34.569 -45.906 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -8.375 33.430 -47.247 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -7.170 32.373 -47.955 1.00 0.00 H new ATOM 0 HE ARG A 80 -6.961 32.183 -45.111 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -9.220 31.228 -47.658 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -9.829 29.872 -46.703 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -7.790 30.456 -43.986 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -9.053 29.454 -44.710 1.00 0.00 H new TER 1248 ARG A 80